*HEADER    DE NOVO PROTEIN                         05-SEP-17   6AWM              
*TITLE     PAWL-DERIVED PEPTIDE PLP-4                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLY-LEU-LEU-GLY-ILE-THR-ASP;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SENECIO PINNATIFOLIUS;                          
*SOURCE   4 ORGANISM_TAXID: 904569                                               
*KEYWDS    ORBITIDE, CYCLIC PEPTIDE, PLANT PEPTIDE, BURIED PEPTIDE, DE NOVO      
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.FISHER,J.S.MYLNE,M.J.HOWARD                                         
*REVDAT   1   07-MAR-18 6AWM    0                                                
# Restraints file 1: new_cyclo_GLLGITD5.tbl
ASSI	((	resid	1	and	name	HN	))	((	resid	1	and	name	HA2										
ASSI	((	resid	1	and	name	HA2	))	((	resid	4	and	name	HA2										
ASSI	((	resid	5	and	name	HN	))	((	resid	5	and	name	HB										
ASSI	((	resid	3	and	name	HN	))	((	resid	2	and	name	HB2										
ASSI	((	resid	5	and	name	HN	))	((	resid	5	and	name	HB										
ASSI	((	resid	5	and	name	HB	))	((	resid	6	and	name	HN										
ASSI	((	resid	6	and	name	HN	))	((	resid	6	and	name	HG1										
ASSI	((	resid	6	and	name	HN	))	(	resid	5	and	name	HG2#)										
ASSI	((	resid	5	and	name	HN	))	(	resid	5	and	name	HG2#)										
ASSI	((	resid	5	and	name	HB	))	((	resid	5	and	name	HG12))										
ASSI	((	resid	2	and	name	HB2	))	(	resid	2	and	name	HD1#)										
ASSI	((	resid	2	and	name	HB2	))	(	resid	2	and	name	HD2#)										
ASSI	((	resid	5	and	name	HB	))	(	resid	5	and	name	HD1#)										
ASSI	((	resid	5	and	name	HB	))	((	resid	6	and	name	HN										
ASSI	((	resid	4	and	name	HA2	))	((	resid	4	and	name	HN										
ASSI	((	resid	4	and	name	HA2	))	((	resid	5	and	name	HN										
ASSI	((	resid	1	and	name	HA1	))	((	resid	2	and	name	HN										
ASSI	((	resid	1	and	name	HN	))	((	resid	1	and	name	HA1										
ASSI	((	resid	5	and	name	HN	))	(	resid	5	and	name	HG2#)										
ASSI	((	resid	6	and	name	HN	))	(	resid	5	and	name	HG2#)										
ASSI	((	resid	5	and	name	HN	))	(	resid	5	and	name	HD1#)										
ASSI	((	resid	2	and	name	HB2	))	((	resid	2	and	name	HN										
ASSI	((	resid	3	and	name	HN	))	((	resid	2	and	name	HB2										
ASSI	((	resid	3	and	name	HN	))	((	resid	3	and	name	HB1										
ASSI	((	resid	4	and	name	HA2	))	((	resid	5	and	name	HB										
ASSI	((	resid	3	and	name	HB2	))	((	resid	3	and	name	HG										
ASSI	((	resid	3	and	name	HB1	))	(	resid	5	and	name	HD1#)										
ASSI	((	resid	5	and	name	HB	))	((	resid	5	and	name	HG11))										
ASSI	((	resid	5	and	name	HB	))	(	resid	5	and	name	HD1#)										
ASSI	((	resid	5	and	name	HB	))	((	resid	5	and	name	HG12))										
ASSI	((	resid	2	and	name	HB2	))	(	resid	2	and	name	HD1#)										
ASSI	((	resid	5	and	name	HG12))	(		resid	5	and	name	HD1#)										
ASSI	(	resid	5	and	name	HG2#)	((		resid	5	and	name	HG12))										
ASSI	((	resid	2	and	name	HB2	))	(	resid	2	and	name	HD2#)										
ASSI	((	resid	3	and	name	HB1	))	((	resid	3	and	name	HG										
ASSI	((	resid	5	and	name	HG12))	((		resid	5	and	name	HG11))										
ASSI	((	resid	6	and	name	HN	))	((	resid	6	and	name	HG1										
ASSI	((	resid	6	and	name	HN	))	((	resid	6	and	name	HA										
ASSI	((	resid	4	and	name	HN	))	((	resid	3	and	name	HA										
ASSI	((	resid	7	and	name	HN	))	((	resid	7	and	name	HA										
ASSI	((	resid	1	and	name	HN	))	((	resid	7	and	name	HA										
ASSI	((	resid	3	and	name	HN	))	((	resid	2	and	name	HA										
ASSI	((	resid	3	and	name	HN	))	((	resid	3	and	name	HA										
ASSI	((	resid	2	and	name	HB2	))	((	resid	2	and	name	HN										
ASSI	((	resid	3	and	name	HN	))	((	resid	4	and	name	HN										
ASSI	((	resid	5	and	name	HN	))	((	resid	6	and	name	HN										
ASSI	((	resid	6	and	name	HA	))	((	resid	7	and	name	HN										
ASSI	((	resid	7	and	name	HN	))	((	resid	6	and	name	HB										
ASSI	((	resid	1	and	name	HA2	))	((	resid	5	and	name	HN										
ASSI	((	resid	5	and	name	HN	))	((	resid	5	and	name	HG11))										
ASSI	((	resid	6	and	name	HN	))	((	resid	7	and	name	HN										
ASSI	((	resid	6	and	name	HG1	))	(	resid	5	and	name	HG2#)										
ASSI	(	resid	5	and	name	HG2#)	((		resid	5	and	name	HG11))										
ASSI	((	resid	5	and	name	HG12))	(		resid	5	and	name	HD1#)										
ASSI	(	resid	5	and	name	HG2#)	(		resid	5	and	name	HD1#)										
ASSI	(	resid	5	and	name	HG2#)	((		resid	5	and	name	HA										
ASSI	((	resid	5	and	name	HG11))	((		resid	5	and	name	HA										
ASSI	(	resid	5	and	name	HD1#)	((		resid	5	and	name	HA										
ASSI	((	resid	6	and	name	HG1	))	((	resid	6	and	name	HA										
ASSI	((	resid	6	and	name	HG1	))	((	resid	6	and	name	HB										
ASSI	((	resid	2	and	name	HB1	))	((	resid	3	and	name	HA										
ASSI	((	resid	3	and	name	HG	))	((	resid	3	and	name	HA										
ASSI	((	resid	3	and	name	HB2	))	((	resid	3	and	name	HA										
ASSI	(	resid	5	and	name	HG2#)	((		resid	5	and	name	HA										
ASSI	((	resid	5	and	name	HB	))	(	resid	5	and	name	HG2#)										
ASSI	(	resid	5	and	name	HG2#)	(		resid	5	and	name	HD1#)										
ASSI	((	resid	5	and	name	HN	))	((	resid	5	and	name	HA										
ASSI	((	resid	5	and	name	HN	))	((	resid	5	and	name	HG12))										
ASSI	(	resid	5	and	name	HD1#)	((		resid	5	and	name	HA										
ASSI	((	resid	3	and	name	HN	))	((	resid	2	and	name	HG										
ASSI	((	resid	3	and	name	HN	))	((	resid	3	and	name	HG										
ASSI	((	resid	2	and	name	HB1	))	(	resid	2	and	name	HD2#)										
ASSI	((	resid	3	and	name	HN	))	((	resid	3	and	name	HB2										
ASSI	((	resid	3	and	name	HB2	))	((	resid	3	and	name	HG										
ASSI	((	resid	3	and	name	HN	))	((	resid	3	and	name	HB2										
ASSI	((	resid	3	and	name	HN	))	((	resid	4	and	name	HN										
ASSI	((	resid	3	and	name	HN	))	((	resid	2	and	name	HN										
ASSI	((	resid	1	and	name	HN	))	((	resid	4	and	name	HA2										
ASSI	((	resid	6	and	name	HN	))	((	resid	5	and	name	HA										
ASSI	((	resid	7	and	name	HA	))	((	resid	7	and	name	HB2										
ASSI	((	resid	7	and	name	HA	))	((	resid	7	and	name	HB1										
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -3.604   1.069  -3.944
    2    HA2  GLY   1          1HA       GLY   1  -1.500  -0.320  -4.353
    3    HA3  GLY   1          2HA       GLY   1  -1.291   0.631  -5.815
    4    H    LEU   2           H        LEU   2  -2.302   3.104  -4.216
    5    HA   LEU   2           HA       LEU   2   0.331   4.067  -3.615
    6    HB2  LEU   2          1HB       LEU   2  -1.594   5.522  -4.274
    7    HB3  LEU   2          2HB       LEU   2  -2.438   5.089  -2.817
    8    HG   LEU   2           HG       LEU   2  -0.407   6.206  -1.603
    9   HD11  LEU   2          1HD1      LEU   2  -0.026   7.372  -4.422
   10   HD12  LEU   2          2HD1      LEU   2   1.109   6.346  -3.555
   11   HD13  LEU   2          3HD1      LEU   2   0.757   7.963  -2.933
   12   HD21  LEU   2          1HD2      LEU   2  -2.771   7.118  -1.838
   13   HD22  LEU   2          2HD2      LEU   2  -2.156   8.114  -3.180
   14   HD23  LEU   2          3HD2      LEU   2  -1.491   8.303  -1.544
   15    H    LEU   3           H        LEU   3   1.466   3.380  -1.927
   16    HA   LEU   3           HA       LEU   3   2.038   2.552   0.126
   17    HB2  LEU   3          1HB       LEU   3  -0.399   4.050   1.094
   18    HB3  LEU   3          2HB       LEU   3   0.900   3.412   2.114
   19    HG   LEU   3           HG       LEU   3   1.338   5.589   0.023
   20   HD11  LEU   3          1HD1      LEU   3   0.783   5.699   3.025
   21   HD12  LEU   3          2HD1      LEU   3  -0.205   6.422   1.693
   22   HD13  LEU   3          3HD1      LEU   3   1.431   7.076   2.063
   23   HD21  LEU   3          1HD2      LEU   3   3.509   4.498   0.593
   24   HD22  LEU   3          2HD2      LEU   3   3.018   4.310   2.316
   25   HD23  LEU   3          3HD2      LEU   3   3.401   5.920   1.638
   26    H    GLY   4           H        GLY   4   0.121   1.038  -1.620
   27    HA2  GLY   4          1HA       GLY   4  -0.821  -1.054  -1.447
   28    HA3  GLY   4          2HA       GLY   4  -0.522  -1.045   0.295
   29    H    ILE   5           H        ILE   5  -2.216   1.816  -0.548
   30    HA   ILE   5           HA       ILE   5  -4.613   0.612   0.690
   31    HB   ILE   5           HB       ILE   5  -4.140   3.549  -0.033
   32   HG12  ILE   5          1HG1      ILE   5  -3.800   2.259   2.668
   33   HG13  ILE   5          2HG1      ILE   5  -2.445   2.518   1.618
   34   HG21  ILE   5          1HG2      ILE   5  -6.494   2.940   0.240
   35   HG22  ILE   5          2HG2      ILE   5  -5.922   4.000   1.582
   36   HG23  ILE   5          3HG2      ILE   5  -6.136   2.277   1.820
   37   HD11  ILE   5          1HD1      ILE   5  -2.938   5.004   1.622
   38   HD12  ILE   5          2HD1      ILE   5  -2.411   4.338   3.173
   39   HD13  ILE   5          3HD1      ILE   5  -4.138   4.668   2.909
   40    H    THR   6           H        THR   6  -5.818  -0.403  -0.705
   41    HA   THR   6           HA       THR   6  -7.306  -0.824  -2.380
   42    HB   THR   6           HB       THR   6  -7.639   2.153  -2.932
   43    HG1  THR   6           HG1      THR   6  -8.799   0.844  -0.760
   44   HG21  THR   6          1HG2      THR   6  -9.042   0.464  -4.152
   45   HG22  THR   6          2HG2      THR   6  -9.971   1.588  -3.139
   46   HG23  THR   6          3HG2      THR   6  -9.686  -0.071  -2.578
   47    H    ASP   7           H        ASP   7  -5.764   2.082  -3.898
   48    HA   ASP   7           HA       ASP   7  -5.773   0.623  -6.462
   49    HB2  ASP   7          1HB       ASP   7  -5.718   2.666  -7.471
   50    HB3  ASP   7          2HB       ASP   7  -6.434   3.156  -5.931
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -2.916   0.552  -3.700
    2    HA2  GLY   1          1HA       GLY   1  -1.927   2.215  -5.910
    3    HA3  GLY   1          2HA       GLY   1  -2.577   3.023  -4.501
    4    H    LEU   2           H        LEU   2  -0.186   3.794  -4.805
    5    HA   LEU   2           HA       LEU   2   1.991   2.073  -4.362
    6    HB2  LEU   2          1HB       LEU   2   1.447   4.961  -4.387
    7    HB3  LEU   2          2HB       LEU   2   2.836   4.512  -3.397
    8    HG   LEU   2           HG       LEU   2   3.540   5.130  -5.609
    9   HD11  LEU   2          1HD1      LEU   2   5.060   3.280  -6.002
   10   HD12  LEU   2          2HD1      LEU   2   3.939   2.079  -5.303
   11   HD13  LEU   2          3HD1      LEU   2   4.742   3.288  -4.261
   12   HD21  LEU   2          1HD2      LEU   2   1.536   4.442  -6.892
   13   HD22  LEU   2          2HD2      LEU   2   2.025   2.732  -6.672
   14   HD23  LEU   2          3HD2      LEU   2   3.068   3.882  -7.599
   15    H    LEU   3           H        LEU   3  -0.189   3.467  -1.983
   16    HA   LEU   3           HA       LEU   3   1.769   2.962   0.256
   17    HB2  LEU   3          1HB       LEU   3  -1.125   3.911   0.232
   18    HB3  LEU   3          2HB       LEU   3  -0.054   3.830   1.668
   19    HG   LEU   3           HG       LEU   3   0.439   5.559  -0.801
   20   HD11  LEU   3          1HD1      LEU   3  -1.564   6.345   0.423
   21   HD12  LEU   3          2HD1      LEU   3  -0.215   7.410   0.804
   22   HD13  LEU   3          3HD1      LEU   3  -0.722   6.210   1.972
   23   HD21  LEU   3          1HD2      LEU   3   2.022   6.751   0.864
   24   HD22  LEU   3          2HD2      LEU   3   2.590   5.153   0.331
   25   HD23  LEU   3          3HD2      LEU   3   1.863   5.331   1.934
   26    H    GLY   4           H        GLY   4  -0.280   0.994  -1.594
   27    HA2  GLY   4          1HA       GLY   4  -0.870  -1.188  -1.195
   28    HA3  GLY   4          2HA       GLY   4  -0.420  -1.005   0.531
   29    H    ILE   5           H        ILE   5  -2.402   1.506  -0.550
   30    HA   ILE   5           HA       ILE   5  -4.808   0.276   0.698
   31    HB   ILE   5           HB       ILE   5  -4.133   3.243   0.340
   32   HG12  ILE   5          1HG1      ILE   5  -3.898   1.533   2.862
   33   HG13  ILE   5          2HG1      ILE   5  -2.539   2.130   1.892
   34   HG21  ILE   5          1HG2      ILE   5  -6.311   1.846   1.904
   35   HG22  ILE   5          2HG2      ILE   5  -6.502   2.888   0.455
   36   HG23  ILE   5          3HG2      ILE   5  -5.953   3.594   1.989
   37   HD11  ILE   5          1HD1      ILE   5  -3.411   4.492   2.341
   38   HD12  ILE   5          2HD1      ILE   5  -2.624   3.605   3.677
   39   HD13  ILE   5          3HD1      ILE   5  -4.390   3.742   3.627
   40    H    THR   6           H        THR   6  -6.583   0.063  -0.598
   41    HA   THR   6           HA       THR   6  -7.808  -0.086  -2.573
   42    HB   THR   6           HB       THR   6  -8.681   2.000  -1.612
   43    HG1  THR   6           HG1      THR   6  -8.509   1.953  -4.460
   44   HG21  THR   6          1HG2      THR   6  -6.615   3.385  -3.388
   45   HG22  THR   6          2HG2      THR   6  -6.869   3.557  -1.644
   46   HG23  THR   6          3HG2      THR   6  -8.082   4.183  -2.771
   47    H    ASP   7           H        ASP   7  -5.424  -0.954  -3.153
   48    HA   ASP   7           HA       ASP   7  -3.953  -1.452  -4.826
   49    HB2  ASP   7          1HB       ASP   7  -6.063  -2.021  -5.976
   50    HB3  ASP   7          2HB       ASP   7  -6.151  -0.398  -6.618
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -3.750   1.287  -3.625
    2    HA2  GLY   1          1HA       GLY   1  -2.127   2.520  -5.703
    3    HA3  GLY   1          2HA       GLY   1  -2.529   3.180  -4.112
    4    H    LEU   2           H        LEU   2   0.002   3.686  -4.752
    5    HA   LEU   2           HA       LEU   2   1.924   1.612  -4.357
    6    HB2  LEU   2          1HB       LEU   2   1.916   4.384  -4.887
    7    HB3  LEU   2          2HB       LEU   2   2.774   4.267  -3.342
    8    HG   LEU   2           HG       LEU   2   3.462   2.646  -5.806
    9   HD11  LEU   2          1HD1      LEU   2   3.740   5.179  -6.014
   10   HD12  LEU   2          2HD1      LEU   2   5.256   4.283  -6.157
   11   HD13  LEU   2          3HD1      LEU   2   4.821   5.100  -4.637
   12   HD21  LEU   2          1HD2      LEU   2   4.251   1.636  -3.666
   13   HD22  LEU   2          2HD2      LEU   2   5.100   3.164  -3.306
   14   HD23  LEU   2          3HD2      LEU   2   5.541   2.158  -4.727
   15    H    LEU   3           H        LEU   3   0.114   3.657  -2.086
   16    HA   LEU   3           HA       LEU   3   1.736   2.932   0.221
   17    HB2  LEU   3          1HB       LEU   3   0.244   4.985  -0.156
   18    HB3  LEU   3          2HB       LEU   3  -1.097   3.920   0.157
   19    HG   LEU   3           HG       LEU   3  -0.378   3.574   2.453
   20   HD11  LEU   3          1HD1      LEU   3   2.022   3.777   2.199
   21   HD12  LEU   3          2HD1      LEU   3   1.410   4.899   3.424
   22   HD13  LEU   3          3HD1      LEU   3   1.866   5.500   1.815
   23   HD21  LEU   3          1HD2      LEU   3  -0.407   6.517   1.686
   24   HD22  LEU   3          2HD2      LEU   3  -0.883   5.835   3.253
   25   HD23  LEU   3          3HD2      LEU   3  -1.857   5.495   1.802
   26    H    GLY   4           H        GLY   4  -0.293   1.017  -1.689
   27    HA2  GLY   4          1HA       GLY   4  -0.798  -1.208  -1.256
   28    HA3  GLY   4          2HA       GLY   4  -0.515  -0.963   0.457
   29    H    ILE   5           H        ILE   5  -2.364   1.588  -0.204
   30    HA   ILE   5           HA       ILE   5  -4.845   0.185   0.668
   31    HB   ILE   5           HB       ILE   5  -4.184   3.159   0.554
   32   HG12  ILE   5          1HG1      ILE   5  -4.086   1.228   2.919
   33   HG13  ILE   5          2HG1      ILE   5  -2.659   1.901   2.043
   34   HG21  ILE   5          1HG2      ILE   5  -6.658   2.538   0.581
   35   HG22  ILE   5          2HG2      ILE   5  -6.134   3.455   1.993
   36   HG23  ILE   5          3HG2      ILE   5  -6.392   1.695   2.131
   37   HD11  ILE   5          1HD1      ILE   5  -3.389   4.160   2.799
   38   HD12  ILE   5          2HD1      ILE   5  -2.936   3.065   4.114
   39   HD13  ILE   5          3HD1      ILE   5  -4.648   3.385   3.792
   40    H    THR   6           H        THR   6  -6.453  -0.156  -0.711
   41    HA   THR   6           HA       THR   6  -7.660  -0.178  -2.727
   42    HB   THR   6           HB       THR   6  -6.904   2.720  -3.316
   43    HG1  THR   6           HG1      THR   6  -8.198   1.693  -1.037
   44   HG21  THR   6          1HG2      THR   6  -9.667   1.332  -3.213
   45   HG22  THR   6          2HG2      THR   6  -8.721   1.513  -4.704
   46   HG23  THR   6          3HG2      THR   6  -9.327   2.944  -3.872
   47    H    ASP   7           H        ASP   7  -5.137  -1.256  -2.996
   48    HA   ASP   7           HA       ASP   7  -3.525  -1.729  -4.568
   49    HB2  ASP   7          1HB       ASP   7  -5.648  -0.791  -6.371
   50    HB3  ASP   7          2HB       ASP   7  -4.086  -1.415  -6.951
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -3.698   0.137  -4.448
    2    HA2  GLY   1          1HA       GLY   1  -1.483  -0.749  -4.819
    3    HA3  GLY   1          2HA       GLY   1  -1.315   0.268  -6.257
    4    H    LEU   2           H        LEU   2  -2.352   2.666  -4.702
    5    HA   LEU   2           HA       LEU   2   0.162   3.597  -3.779
    6    HB2  LEU   2          1HB       LEU   2  -2.560   4.780  -3.429
    7    HB3  LEU   2          2HB       LEU   2  -1.080   5.624  -3.044
    8    HG   LEU   2           HG       LEU   2  -1.939   4.663  -5.803
    9   HD11  LEU   2          1HD1      LEU   2  -3.395   6.393  -4.901
   10   HD12  LEU   2          2HD1      LEU   2  -2.435   7.053  -6.218
   11   HD13  LEU   2          3HD1      LEU   2  -1.990   7.438  -4.515
   12   HD21  LEU   2          1HD2      LEU   2  -0.094   6.127  -6.643
   13   HD22  LEU   2          2HD2      LEU   2   0.552   4.896  -5.555
   14   HD23  LEU   2          3HD2      LEU   2   0.344   6.573  -5.006
   15    H    LEU   3           H        LEU   3   1.051   3.558  -1.934
   16    HA   LEU   3           HA       LEU   3   1.582   3.099   0.213
   17    HB2  LEU   3          1HB       LEU   3  -1.209   4.111   0.694
   18    HB3  LEU   3          2HB       LEU   3  -0.092   3.741   1.973
   19    HG   LEU   3           HG       LEU   3  -0.208   6.061   1.880
   20   HD11  LEU   3          1HD1      LEU   3   2.104   6.730   1.321
   21   HD12  LEU   3          2HD1      LEU   3   2.319   5.326   0.305
   22   HD13  LEU   3          3HD1      LEU   3   2.136   5.138   2.075
   23   HD21  LEU   3          1HD2      LEU   3   0.065   7.444  -0.114
   24   HD22  LEU   3          2HD2      LEU   3  -1.220   6.256  -0.456
   25   HD23  LEU   3          3HD2      LEU   3   0.411   6.026  -1.129
   26    H    GLY   4           H        GLY   4   0.091   1.061  -1.533
   27    HA2  GLY   4          1HA       GLY   4  -0.515  -1.174  -1.205
   28    HA3  GLY   4          2HA       GLY   4   0.110  -1.053   0.436
   29    H    ILE   5           H        ILE   5  -2.409   1.223  -0.538
   30    HA   ILE   5           HA       ILE   5  -4.495  -0.569   0.668
   31    HB   ILE   5           HB       ILE   5  -3.506   0.794   2.478
   32   HG12  ILE   5          1HG1      ILE   5  -6.337   1.763   1.970
   33   HG13  ILE   5          2HG1      ILE   5  -5.963   0.097   2.407
   34   HG21  ILE   5          1HG2      ILE   5  -3.709   3.220   2.596
   35   HG22  ILE   5          2HG2      ILE   5  -4.647   3.278   1.097
   36   HG23  ILE   5          3HG2      ILE   5  -2.922   2.830   1.069
   37   HD11  ILE   5          1HD1      ILE   5  -4.956   0.863   4.549
   38   HD12  ILE   5          2HD1      ILE   5  -6.630   1.459   4.405
   39   HD13  ILE   5          3HD1      ILE   5  -5.279   2.557   4.129
   40    H    THR   6           H        THR   6  -3.762   2.210  -1.466
   41    HA   THR   6           HA       THR   6  -6.612   1.960  -2.397
   42    HB   THR   6           HB       THR   6  -5.011   4.576  -2.242
   43    HG1  THR   6           HG1      THR   6  -6.490   5.013  -0.505
   44   HG21  THR   6          1HG2      THR   6  -7.213   5.577  -2.656
   45   HG22  THR   6          2HG2      THR   6  -8.000   3.981  -2.616
   46   HG23  THR   6          3HG2      THR   6  -6.903   4.403  -3.942
   47    H    ASP   7           H        ASP   7  -6.424   0.968  -4.425
   48    HA   ASP   7           HA       ASP   7  -5.701   0.600  -6.565
   49    HB2  ASP   7          1HB       ASP   7  -6.595   3.020  -6.707
   50    HB3  ASP   7          2HB       ASP   7  -4.884   3.497  -6.753
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -3.522   1.054  -4.132
    2    HA2  GLY   1          1HA       GLY   1  -1.800   2.946  -5.309
    3    HA3  GLY   1          2HA       GLY   1  -2.086   3.454  -3.589
    4    H    LEU   2           H        LEU   2   0.424   2.430  -4.706
    5    HA   LEU   2           HA       LEU   2   0.824  -0.324  -4.085
    6    HB2  LEU   2          1HB       LEU   2   2.402   1.176  -5.387
    7    HB3  LEU   2          2HB       LEU   2   2.745   2.018  -3.904
    8    HG   LEU   2           HG       LEU   2   3.762  -0.048  -2.955
    9   HD11  LEU   2          1HD1      LEU   2   3.381  -1.126  -5.789
   10   HD12  LEU   2          2HD1      LEU   2   2.648  -1.743  -4.267
   11   HD13  LEU   2          3HD1      LEU   2   4.394  -1.861  -4.493
   12   HD21  LEU   2          1HD2      LEU   2   5.153   1.661  -3.909
   13   HD22  LEU   2          2HD2      LEU   2   4.909   1.048  -5.564
   14   HD23  LEU   2          3HD2      LEU   2   5.803   0.094  -4.346
   15    H    LEU   3           H        LEU   3   1.243   2.637  -2.132
   16    HA   LEU   3           HA       LEU   3   1.343   0.950   0.346
   17    HB2  LEU   3          1HB       LEU   3   2.352   3.785  -0.125
   18    HB3  LEU   3          2HB       LEU   3   2.405   2.911   1.389
   19    HG   LEU   3           HG       LEU   3   3.955   2.135  -1.115
   20   HD11  LEU   3          1HD1      LEU   3   5.896   2.883   0.077
   21   HD12  LEU   3          2HD1      LEU   3   4.949   3.287   1.527
   22   HD13  LEU   3          3HD1      LEU   3   4.706   4.214   0.037
   23   HD21  LEU   3          1HD2      LEU   3   3.824   0.869   1.661
   24   HD22  LEU   3          2HD2      LEU   3   5.189   0.646   0.530
   25   HD23  LEU   3          3HD2      LEU   3   3.541   0.105   0.068
   26    H    GLY   4           H        GLY   4  -0.718   2.519  -1.573
   27    HA2  GLY   4          1HA       GLY   4  -2.197   4.021   0.451
   28    HA3  GLY   4          2HA       GLY   4  -2.620   3.930  -1.259
   29    H    ILE   5           H        ILE   5  -1.997   0.806  -0.708
   30    HA   ILE   5           HA       ILE   5  -3.096  -1.077  -0.202
   31    HB   ILE   5           HB       ILE   5  -4.751   0.592   1.767
   32   HG12  ILE   5          1HG1      ILE   5  -2.341  -1.251   2.242
   33   HG13  ILE   5          2HG1      ILE   5  -2.192   0.515   2.061
   34   HG21  ILE   5          1HG2      ILE   5  -5.166  -1.618   2.838
   35   HG22  ILE   5          2HG2      ILE   5  -4.398  -2.445   1.466
   36   HG23  ILE   5          3HG2      ILE   5  -5.915  -1.508   1.235
   37   HD11  ILE   5          1HD1      ILE   5  -3.754  -0.903   4.311
   38   HD12  ILE   5          2HD1      ILE   5  -3.690   0.864   4.049
   39   HD13  ILE   5          3HD1      ILE   5  -2.224  -0.051   4.463
   40    H    THR   6           H        THR   6  -4.107  -1.913  -1.890
   41    HA   THR   6           HA       THR   6  -5.513  -2.350  -3.504
   42    HB   THR   6           HB       THR   6  -7.837  -2.373  -3.186
   43    HG1  THR   6           HG1      THR   6  -7.284  -0.291  -1.386
   44   HG21  THR   6          1HG2      THR   6  -8.009  -3.580  -1.116
   45   HG22  THR   6          2HG2      THR   6  -6.606  -2.768  -0.451
   46   HG23  THR   6          3HG2      THR   6  -6.410  -3.927  -1.795
   47    H    ASP   7           H        ASP   7  -5.313   0.993  -2.828
   48    HA   ASP   7           HA       ASP   7  -5.928   1.548  -5.672
   49    HB2  ASP   7          1HB       ASP   7  -7.736   2.203  -3.858
   50    HB3  ASP   7          2HB       ASP   7  -6.618   3.532  -3.565
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -3.360   0.908  -3.524
    2    HA2  GLY   1          1HA       GLY   1  -1.318   1.213  -5.727
    3    HA3  GLY   1          2HA       GLY   1  -2.704   2.319  -5.659
    4    H    LEU   2           H        LEU   2   0.011   3.085  -5.465
    5    HA   LEU   2           HA       LEU   2   1.449   4.287  -4.073
    6    HB2  LEU   2          1HB       LEU   2  -1.018   4.823  -2.338
    7    HB3  LEU   2          2HB       LEU   2   0.481   5.711  -2.367
    8    HG   LEU   2           HG       LEU   2  -1.349   5.517  -4.767
    9   HD11  LEU   2          1HD1      LEU   2  -2.464   6.602  -2.798
   10   HD12  LEU   2          2HD1      LEU   2  -2.154   7.717  -4.144
   11   HD13  LEU   2          3HD1      LEU   2  -1.103   7.770  -2.723
   12   HD21  LEU   2          1HD2      LEU   2   0.945   6.099  -5.389
   13   HD22  LEU   2          2HD2      LEU   2   1.084   7.253  -4.044
   14   HD23  LEU   2          3HD2      LEU   2   0.015   7.568  -5.423
   15    H    LEU   3           H        LEU   3   0.070   4.111  -1.017
   16    HA   LEU   3           HA       LEU   3   2.218   2.496   0.025
   17    HB2  LEU   3          1HB       LEU   3   0.569   4.448   0.990
   18    HB3  LEU   3          2HB       LEU   3  -0.264   3.042   1.643
   19    HG   LEU   3           HG       LEU   3   2.646   3.627   2.202
   20   HD11  LEU   3          1HD1      LEU   3   0.264   4.225   4.017
   21   HD12  LEU   3          2HD1      LEU   3   1.024   5.455   3.030
   22   HD13  LEU   3          3HD1      LEU   3   1.964   4.672   4.277
   23   HD21  LEU   3          1HD2      LEU   3   2.072   2.133   4.232
   24   HD22  LEU   3          2HD2      LEU   3   2.146   1.312   2.671
   25   HD23  LEU   3          3HD2      LEU   3   0.575   1.731   3.374
   26    H    GLY   4           H        GLY   4  -0.918   1.646  -1.367
   27    HA2  GLY   4          1HA       GLY   4  -1.151  -0.903  -1.504
   28    HA3  GLY   4          2HA       GLY   4  -0.965  -0.881   0.236
   29    H    ILE   5           H        ILE   5  -2.491   1.891  -0.154
   30    HA   ILE   5           HA       ILE   5  -5.059   0.838   0.588
   31    HB   ILE   5           HB       ILE   5  -4.232   3.664  -0.277
   32   HG12  ILE   5          1HG1      ILE   5  -4.649   2.444   2.496
   33   HG13  ILE   5          2HG1      ILE   5  -3.080   2.698   1.790
   34   HG21  ILE   5          1HG2      ILE   5  -6.435   4.312   0.971
   35   HG22  ILE   5          2HG2      ILE   5  -6.833   2.569   0.910
   36   HG23  ILE   5          3HG2      ILE   5  -6.682   3.499  -0.603
   37   HD11  ILE   5          1HD1      ILE   5  -3.599   4.440   3.415
   38   HD12  ILE   5          2HD1      ILE   5  -4.971   4.947   2.449
   39   HD13  ILE   5          3HD1      ILE   5  -3.330   5.116   1.787
   40    H    THR   6           H        THR   6  -6.562   0.051  -0.725
   41    HA   THR   6           HA       THR   6  -7.678  -0.541  -2.640
   42    HB   THR   6           HB       THR   6  -7.212   2.246  -3.777
   43    HG1  THR   6           HG1      THR   6  -8.811   2.979  -2.409
   44   HG21  THR   6          1HG2      THR   6  -9.327   1.952  -4.802
   45   HG22  THR   6          2HG2      THR   6  -9.816   0.727  -3.609
   46   HG23  THR   6          3HG2      THR   6  -8.664   0.317  -4.867
   47    H    ASP   7           H        ASP   7  -4.917  -1.084  -2.408
   48    HA   ASP   7           HA       ASP   7  -3.260  -2.058  -3.465
   49    HB2  ASP   7          1HB       ASP   7  -5.473  -2.988  -4.625
   50    HB3  ASP   7          2HB       ASP   7  -4.768  -2.217  -6.072
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -3.600   0.464  -4.976
    2    HA2  GLY   1          1HA       GLY   1  -1.423  -0.381  -5.195
    3    HA3  GLY   1          2HA       GLY   1  -1.197   0.495  -6.724
    4    H    LEU   2           H        LEU   2  -2.405   2.655  -4.596
    5    HA   LEU   2           HA       LEU   2   0.251   3.722  -3.983
    6    HB2  LEU   2          1HB       LEU   2  -2.527   4.790  -3.366
    7    HB3  LEU   2          2HB       LEU   2  -1.002   5.643  -3.035
    8    HG   LEU   2           HG       LEU   2  -1.950   4.912  -5.793
    9   HD11  LEU   2          1HD1      LEU   2  -2.019   7.608  -4.345
   10   HD12  LEU   2          2HD1      LEU   2  -3.441   6.528  -4.637
   11   HD13  LEU   2          3HD1      LEU   2  -2.572   7.243  -6.023
   12   HD21  LEU   2          1HD2      LEU   2   0.375   6.597  -4.761
   13   HD22  LEU   2          2HD2      LEU   2  -0.227   6.650  -6.442
   14   HD23  LEU   2          3HD2      LEU   2   0.459   5.160  -5.824
   15    H    LEU   3           H        LEU   3   1.145   3.814  -1.944
   16    HA   LEU   3           HA       LEU   3   1.657   3.070   0.160
   17    HB2  LEU   3          1HB       LEU   3  -1.313   3.455   0.619
   18    HB3  LEU   3          2HB       LEU   3  -0.147   3.195   1.881
   19    HG   LEU   3           HG       LEU   3  -0.091   5.548  -0.033
   20   HD11  LEU   3          1HD1      LEU   3  -1.150   5.415   2.798
   21   HD12  LEU   3          2HD1      LEU   3  -2.112   5.507   1.320
   22   HD13  LEU   3          3HD1      LEU   3  -1.053   6.858   1.741
   23   HD21  LEU   3          1HD2      LEU   3   1.498   4.755   2.439
   24   HD22  LEU   3          2HD2      LEU   3   1.370   6.452   1.969
   25   HD23  LEU   3          3HD2      LEU   3   2.093   5.322   0.859
   26    H    GLY   4           H        GLY   4  -0.875   1.546   1.502
   27    HA2  GLY   4          1HA       GLY   4  -0.609  -1.021  -0.047
   28    HA3  GLY   4          2HA       GLY   4  -0.327  -0.985   1.702
   29    H    ILE   5           H        ILE   5  -2.536   1.153  -0.119
   30    HA   ILE   5           HA       ILE   5  -4.818  -0.082   1.369
   31    HB   ILE   5           HB       ILE   5  -4.430   2.877   0.731
   32   HG12  ILE   5          1HG1      ILE   5  -4.219   1.451   3.445
   33   HG13  ILE   5          2HG1      ILE   5  -2.831   1.962   2.480
   34   HG21  ILE   5          1HG2      ILE   5  -6.867   2.076   0.892
   35   HG22  ILE   5          2HG2      ILE   5  -6.467   3.183   2.212
   36   HG23  ILE   5          3HG2      ILE   5  -6.550   1.424   2.532
   37   HD11  ILE   5          1HD1      ILE   5  -3.178   3.537   4.243
   38   HD12  ILE   5          2HD1      ILE   5  -4.882   3.777   3.763
   39   HD13  ILE   5          3HD1      ILE   5  -3.585   4.332   2.695
   40    H    THR   6           H        THR   6  -4.235   2.058  -1.552
   41    HA   THR   6           HA       THR   6  -6.162   0.443  -2.986
   42    HB   THR   6           HB       THR   6  -7.705   1.773  -1.619
   43    HG1  THR   6           HG1      THR   6  -8.974   2.057  -3.350
   44   HG21  THR   6          1HG2      THR   6  -6.754   4.298  -3.015
   45   HG22  THR   6          2HG2      THR   6  -6.139   3.778  -1.410
   46   HG23  THR   6          3HG2      THR   6  -7.857   4.093  -1.639
   47    H    ASP   7           H        ASP   7  -6.357   0.877  -5.188
   48    HA   ASP   7           HA       ASP   7  -5.491   1.302  -7.218
   49    HB2  ASP   7          1HB       ASP   7  -6.425   3.563  -6.422
   50    HB3  ASP   7          2HB       ASP   7  -4.743   4.059  -6.174
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -3.808   1.013  -4.191
    2    HA2  GLY   1          1HA       GLY   1  -2.009  -0.074  -5.248
    3    HA3  GLY   1          2HA       GLY   1  -2.184   0.945  -6.691
    4    H    LEU   2           H        LEU   2  -2.240   2.596  -3.685
    5    HA   LEU   2           HA       LEU   2   0.648   3.344  -3.894
    6    HB2  LEU   2          1HB       LEU   2  -1.777   5.121  -3.397
    7    HB3  LEU   2          2HB       LEU   2  -0.147   5.581  -2.954
    8    HG   LEU   2           HG       LEU   2   0.468   5.391  -5.423
    9   HD11  LEU   2          1HD1      LEU   2  -1.317   5.731  -7.064
   10   HD12  LEU   2          2HD1      LEU   2  -2.553   5.597  -5.791
   11   HD13  LEU   2          3HD1      LEU   2  -1.570   4.183  -6.239
   12   HD21  LEU   2          1HD2      LEU   2  -1.599   7.491  -4.611
   13   HD22  LEU   2          2HD2      LEU   2  -0.251   7.696  -5.743
   14   HD23  LEU   2          3HD2      LEU   2   0.081   7.500  -4.039
   15    H    LEU   3           H        LEU   3   1.701   3.045  -2.013
   16    HA   LEU   3           HA       LEU   3   2.104   2.422   0.206
   17    HB2  LEU   3          1HB       LEU   3   0.038   4.645   0.567
   18    HB3  LEU   3          2HB       LEU   3   0.924   3.919   1.891
   19    HG   LEU   3           HG       LEU   3   1.810   6.041   1.324
   20   HD11  LEU   3          1HD1      LEU   3   4.171   5.426   1.284
   21   HD12  LEU   3          2HD1      LEU   3   3.796   3.847   0.594
   22   HD13  LEU   3          3HD1      LEU   3   3.269   4.232   2.246
   23   HD21  LEU   3          1HD2      LEU   3   3.036   6.583  -0.684
   24   HD22  LEU   3          2HD2      LEU   3   1.372   6.150  -1.108
   25   HD23  LEU   3          3HD2      LEU   3   2.722   4.984  -1.390
   26    H    GLY   4           H        GLY   4   0.414   0.468  -0.815
   27    HA2  GLY   4          1HA       GLY   4  -0.625  -1.357   0.047
   28    HA3  GLY   4          2HA       GLY   4  -0.648  -0.565   1.622
   29    H    ILE   5           H        ILE   5  -2.171   1.692  -0.332
   30    HA   ILE   5           HA       ILE   5  -4.816   0.785   0.626
   31    HB   ILE   5           HB       ILE   5  -4.041   3.100  -1.212
   32   HG12  ILE   5          1HG1      ILE   5  -4.692   3.227   1.782
   33   HG13  ILE   5          2HG1      ILE   5  -3.059   3.107   1.146
   34   HG21  ILE   5          1HG2      ILE   5  -6.244   4.114  -0.493
   35   HG22  ILE   5          2HG2      ILE   5  -6.654   2.591   0.334
   36   HG23  ILE   5          3HG2      ILE   5  -6.441   2.659  -1.423
   37   HD11  ILE   5          1HD1      ILE   5  -4.967   5.449   0.867
   38   HD12  ILE   5          2HD1      ILE   5  -3.550   5.305  -0.182
   39   HD13  ILE   5          3HD1      ILE   5  -3.345   5.419   1.564
   40    H    THR   6           H        THR   6  -6.610   0.309  -0.982
   41    HA   THR   6           HA       THR   6  -5.831  -1.437  -3.047
   42    HB   THR   6           HB       THR   6  -8.315  -1.084  -3.752
   43    HG1  THR   6           HG1      THR   6  -9.433   0.412  -2.676
   44   HG21  THR   6          1HG2      THR   6  -7.557  -2.890  -2.258
   45   HG22  THR   6          2HG2      THR   6  -9.174  -2.228  -1.821
   46   HG23  THR   6          3HG2      THR   6  -7.747  -1.755  -0.869
   47    H    ASP   7           H        ASP   7  -5.943   2.043  -3.144
   48    HA   ASP   7           HA       ASP   7  -6.439   2.352  -5.951
   49    HB2  ASP   7          1HB       ASP   7  -4.896   4.069  -3.950
   50    HB3  ASP   7          2HB       ASP   7  -5.422   4.601  -5.569
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -3.663   0.112  -4.717
    2    HA2  GLY   1          1HA       GLY   1  -1.428  -0.536  -4.679
    3    HA3  GLY   1          2HA       GLY   1  -1.128   0.411  -6.124
    4    H    LEU   2           H        LEU   2  -2.470   2.750  -4.487
    5    HA   LEU   2           HA       LEU   2   0.032   3.923  -3.703
    6    HB2  LEU   2          1HB       LEU   2  -2.799   4.798  -3.085
    7    HB3  LEU   2          2HB       LEU   2  -1.311   5.790  -2.841
    8    HG   LEU   2           HG       LEU   2  -2.286   4.748  -5.530
    9   HD11  LEU   2          1HD1      LEU   2  -3.074   7.148  -5.802
   10   HD12  LEU   2          2HD1      LEU   2  -2.937   7.248  -4.020
   11   HD13  LEU   2          3HD1      LEU   2  -4.005   6.072  -4.767
   12   HD21  LEU   2          1HD2      LEU   2  -0.190   6.808  -4.757
   13   HD22  LEU   2          2HD2      LEU   2  -0.861   6.669  -6.387
   14   HD23  LEU   2          3HD2      LEU   2   0.046   5.329  -5.691
   15    H    LEU   3           H        LEU   3   1.130   3.447  -2.043
   16    HA   LEU   3           HA       LEU   3   1.809   2.843   0.113
   17    HB2  LEU   3          1HB       LEU   3  -0.842   4.049   0.953
   18    HB3  LEU   3          2HB       LEU   3   0.474   3.639   2.001
   19    HG   LEU   3           HG       LEU   3   0.594   5.629  -0.271
   20   HD11  LEU   3          1HD1      LEU   3  -1.088   6.322   1.314
   21   HD12  LEU   3          2HD1      LEU   3   0.332   7.368   1.471
   22   HD13  LEU   3          3HD1      LEU   3   0.021   6.078   2.665
   23   HD21  LEU   3          1HD2      LEU   3   2.517   6.584   1.093
   24   HD22  LEU   3          2HD2      LEU   3   2.830   5.017   0.309
   25   HD23  LEU   3          3HD2      LEU   3   2.471   5.078   2.061
   26    H    GLY   4           H        GLY   4  -0.136   1.097  -1.531
   27    HA2  GLY   4          1HA       GLY   4  -0.875  -1.051  -1.337
   28    HA3  GLY   4          2HA       GLY   4  -0.186  -1.109   0.304
   29    H    ILE   5           H        ILE   5  -2.439   1.468  -0.473
   30    HA   ILE   5           HA       ILE   5  -4.448   0.151   1.357
   31    HB   ILE   5           HB       ILE   5  -4.048   3.098   0.574
   32   HG12  ILE   5          1HG1      ILE   5  -3.632   1.758   3.245
   33   HG13  ILE   5          2HG1      ILE   5  -2.325   2.089   2.113
   34   HG21  ILE   5          1HG2      ILE   5  -5.941   1.910   2.686
   35   HG22  ILE   5          2HG2      ILE   5  -6.465   2.493   1.080
   36   HG23  ILE   5          3HG2      ILE   5  -5.809   3.644   2.249
   37   HD11  ILE   5          1HD1      ILE   5  -2.170   3.840   3.656
   38   HD12  ILE   5          2HD1      ILE   5  -3.931   4.086   3.744
   39   HD13  ILE   5          3HD1      ILE   5  -3.036   4.584   2.276
   40    H    THR   6           H        THR   6  -4.306   2.100  -1.686
   41    HA   THR   6           HA       THR   6  -6.488   0.479  -2.860
   42    HB   THR   6           HB       THR   6  -7.773   2.160  -1.522
   43    HG1  THR   6           HG1      THR   6  -8.040   2.959  -4.220
   44   HG21  THR   6          1HG2      THR   6  -7.798   4.480  -2.119
   45   HG22  THR   6          2HG2      THR   6  -6.461   4.249  -3.273
   46   HG23  THR   6          3HG2      THR   6  -6.212   4.030  -1.505
   47    H    ASP   7           H        ASP   7  -6.519   0.725  -5.051
   48    HA   ASP   7           HA       ASP   7  -5.401   0.811  -7.036
   49    HB2  ASP   7          1HB       ASP   7  -5.002   3.732  -6.276
   50    HB3  ASP   7          2HB       ASP   7  -4.900   3.054  -7.918
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -3.658   0.199  -3.924
    2    HA2  GLY   1          1HA       GLY   1  -1.422  -0.470  -3.719
    3    HA3  GLY   1          2HA       GLY   1  -1.090   0.094  -5.350
    4    H    LEU   2           H        LEU   2  -2.641   2.639  -3.881
    5    HA   LEU   2           HA       LEU   2  -0.219   4.151  -3.514
    6    HB2  LEU   2          1HB       LEU   2  -3.084   4.730  -2.616
    7    HB3  LEU   2          2HB       LEU   2  -1.758   5.881  -2.685
    8    HG   LEU   2           HG       LEU   2  -2.746   4.464  -5.181
    9   HD11  LEU   2          1HD1      LEU   2  -4.616   5.680  -4.051
   10   HD12  LEU   2          2HD1      LEU   2  -4.157   6.417  -5.597
   11   HD13  LEU   2          3HD1      LEU   2  -3.637   7.154  -4.057
   12   HD21  LEU   2          1HD2      LEU   2  -1.191   7.098  -4.677
   13   HD22  LEU   2          2HD2      LEU   2  -1.696   6.481  -6.286
   14   HD23  LEU   2          3HD2      LEU   2  -0.494   5.597  -5.334
   15    H    LEU   3           H        LEU   3   1.171   3.517  -1.953
   16    HA   LEU   3           HA       LEU   3   1.977   2.816   0.028
   17    HB2  LEU   3          1HB       LEU   3  -0.510   3.906   1.371
   18    HB3  LEU   3          2HB       LEU   3   1.012   3.460   2.135
   19    HG   LEU   3           HG       LEU   3   0.794   5.729   0.179
   20   HD11  LEU   3          1HD1      LEU   3   0.715   7.218   2.140
   21   HD12  LEU   3          2HD1      LEU   3   0.736   5.826   3.216
   22   HD13  LEU   3          3HD1      LEU   3  -0.653   6.089   2.175
   23   HD21  LEU   3          1HD2      LEU   3   2.885   6.508   1.099
   24   HD22  LEU   3          2HD2      LEU   3   3.069   4.879   0.430
   25   HD23  LEU   3          3HD2      LEU   3   2.942   5.118   2.183
   26    H    GLY   4           H        GLY   4   0.173   1.128  -1.618
   27    HA2  GLY   4          1HA       GLY   4  -0.561  -1.060  -1.535
   28    HA3  GLY   4          2HA       GLY   4  -0.179  -1.087   0.182
   29    H    ILE   5           H        ILE   5  -2.201   1.553  -0.742
   30    HA   ILE   5           HA       ILE   5  -4.599   0.109   0.301
   31    HB   ILE   5           HB       ILE   5  -3.904   3.136   0.548
   32   HG12  ILE   5          1HG1      ILE   5  -3.819   1.030   2.757
   33   HG13  ILE   5          2HG1      ILE   5  -2.380   1.633   1.936
   34   HG21  ILE   5          1HG2      ILE   5  -6.369   2.559   0.608
   35   HG22  ILE   5          2HG2      ILE   5  -5.793   3.275   2.106
   36   HG23  ILE   5          3HG2      ILE   5  -6.065   1.524   2.001
   37   HD11  ILE   5          1HD1      ILE   5  -4.315   3.225   3.773
   38   HD12  ILE   5          2HD1      ILE   5  -3.023   3.984   2.802
   39   HD13  ILE   5          3HD1      ILE   5  -2.589   2.867   4.081
   40    H    THR   6           H        THR   6  -6.591   0.569  -0.807
   41    HA   THR   6           HA       THR   6  -8.009   0.938  -2.535
   42    HB   THR   6           HB       THR   6  -6.371   3.471  -3.027
   43    HG1  THR   6           HG1      THR   6  -7.595   4.380  -1.363
   44   HG21  THR   6          1HG2      THR   6  -9.350   2.994  -3.309
   45   HG22  THR   6          2HG2      THR   6  -8.190   3.100  -4.651
   46   HG23  THR   6          3HG2      THR   6  -8.508   4.511  -3.609
   47    H    ASP   7           H        ASP   7  -4.963   2.179  -4.030
   48    HA   ASP   7           HA       ASP   7  -5.430   0.219  -6.262
   49    HB2  ASP   7          1HB       ASP   7  -5.195   3.229  -6.395
   50    HB3  ASP   7          2HB       ASP   7  -4.707   2.235  -7.756
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -3.351   0.219  -4.461
    2    HA2  GLY   1          1HA       GLY   1  -1.064  -0.211  -5.031
    3    HA3  GLY   1          2HA       GLY   1  -1.139   1.024  -6.290
    4    H    LEU   2           H        LEU   2   0.908   1.635  -5.583
    5    HA   LEU   2           HA       LEU   2   2.399   2.929  -4.467
    6    HB2  LEU   2          1HB       LEU   2  -0.166   4.511  -4.067
    7    HB3  LEU   2          2HB       LEU   2   1.392   5.092  -3.495
    8    HG   LEU   2           HG       LEU   2   0.809   4.425  -6.376
    9   HD11  LEU   2          1HD1      LEU   2   1.021   7.069  -4.972
   10   HD12  LEU   2          2HD1      LEU   2  -0.485   6.292  -5.482
   11   HD13  LEU   2          3HD1      LEU   2   0.698   6.822  -6.698
   12   HD21  LEU   2          1HD2      LEU   2   3.283   4.225  -5.771
   13   HD22  LEU   2          2HD2      LEU   2   3.223   5.936  -5.264
   14   HD23  LEU   2          3HD2      LEU   2   2.919   5.492  -6.990
   15    H    LEU   3           H        LEU   3   0.067   3.944  -2.022
   16    HA   LEU   3           HA       LEU   3   2.026   3.212   0.029
   17    HB2  LEU   3          1HB       LEU   3   0.603   5.275   0.041
   18    HB3  LEU   3          2HB       LEU   3  -0.822   4.228   0.305
   19    HG   LEU   3           HG       LEU   3   0.186   3.510   2.496
   20   HD11  LEU   3          1HD1      LEU   3   2.355   5.602   1.914
   21   HD12  LEU   3          2HD1      LEU   3   2.590   3.829   2.032
   22   HD13  LEU   3          3HD1      LEU   3   2.060   4.765   3.460
   23   HD21  LEU   3          1HD2      LEU   3  -0.199   5.641   3.640
   24   HD22  LEU   3          2HD2      LEU   3  -1.386   5.400   2.353
   25   HD23  LEU   3          3HD2      LEU   3  -0.029   6.558   2.100
   26    H    GLY   4           H        GLY   4  -0.950   1.962  -1.299
   27    HA2  GLY   4          1HA       GLY   4  -1.436  -0.429  -1.101
   28    HA3  GLY   4          2HA       GLY   4  -0.813  -0.385   0.561
   29    H    ILE   5           H        ILE   5  -3.361  -1.391  -0.124
   30    HA   ILE   5           HA       ILE   5  -5.546  -1.469   0.562
   31    HB   ILE   5           HB       ILE   5  -5.127   1.161   2.120
   32   HG12  ILE   5          1HG1      ILE   5  -4.988  -1.628   3.331
   33   HG13  ILE   5          2HG1      ILE   5  -3.537  -0.815   2.745
   34   HG21  ILE   5          1HG2      ILE   5  -7.166  -1.105   2.544
   35   HG22  ILE   5          2HG2      ILE   5  -7.513   0.446   1.728
   36   HG23  ILE   5          3HG2      ILE   5  -7.051   0.426   3.435
   37   HD11  ILE   5          1HD1      ILE   5  -3.825  -0.493   5.202
   38   HD12  ILE   5          2HD1      ILE   5  -5.402   0.292   4.925
   39   HD13  ILE   5          3HD1      ILE   5  -3.912   1.046   4.340
   40    H    THR   6           H        THR   6  -4.401   1.683  -0.618
   41    HA   THR   6           HA       THR   6  -6.979   2.214  -1.940
   42    HB   THR   6           HB       THR   6  -5.708   4.212  -2.824
   43    HG1  THR   6           HG1      THR   6  -3.797   3.690  -0.798
   44   HG21  THR   6          1HG2      THR   6  -5.661   3.961   0.214
   45   HG22  THR   6          2HG2      THR   6  -7.110   4.235  -0.721
   46   HG23  THR   6          3HG2      THR   6  -5.824   5.431  -0.745
   47    H    ASP   7           H        ASP   7  -5.928   3.214  -4.423
   48    HA   ASP   7           HA       ASP   7  -5.385   0.621  -5.718
   49    HB2  ASP   7          1HB       ASP   7  -6.884   2.379  -6.766
   50    HB3  ASP   7          2HB       ASP   7  -5.411   3.381  -7.001
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -3.525   0.461  -4.469
    2    HA2  GLY   1          1HA       GLY   1  -1.316  -0.202  -4.766
    3    HA3  GLY   1          2HA       GLY   1  -1.200   0.938  -6.119
    4    H    LEU   2           H        LEU   2   0.903   1.373  -5.252
    5    HA   LEU   2           HA       LEU   2   2.504   2.573  -4.264
    6    HB2  LEU   2          1HB       LEU   2   0.234   4.539  -3.835
    7    HB3  LEU   2          2HB       LEU   2   1.930   4.938  -3.638
    8    HG   LEU   2           HG       LEU   2   0.666   4.146  -6.275
    9   HD11  LEU   2          1HD1      LEU   2   1.018   6.518  -6.863
   10   HD12  LEU   2          2HD1      LEU   2   1.564   6.844  -5.208
   11   HD13  LEU   2          3HD1      LEU   2  -0.132   6.313  -5.499
   12   HD21  LEU   2          1HD2      LEU   2   3.471   5.013  -5.597
   13   HD22  LEU   2          2HD2      LEU   2   2.802   4.973  -7.223
   14   HD23  LEU   2          3HD2      LEU   2   2.951   3.471  -6.305
   15    H    LEU   3           H        LEU   3  -0.016   3.784  -2.017
   16    HA   LEU   3           HA       LEU   3   1.620   3.011   0.333
   17    HB2  LEU   3          1HB       LEU   3  -1.253   4.021   0.034
   18    HB3  LEU   3          2HB       LEU   3  -0.369   3.851   1.585
   19    HG   LEU   3           HG       LEU   3   0.353   5.810  -0.623
   20   HD11  LEU   3          1HD1      LEU   3  -1.779   6.289   0.478
   21   HD12  LEU   3          2HD1      LEU   3  -0.569   7.440   0.966
   22   HD13  LEU   3          3HD1      LEU   3  -1.011   6.142   2.067
   23   HD21  LEU   3          1HD2      LEU   3   2.374   5.220   0.603
   24   HD22  LEU   3          2HD2      LEU   3   1.540   5.370   2.153
   25   HD23  LEU   3          3HD2      LEU   3   1.831   6.815   1.161
   26    H    GLY   4           H        GLY   4  -0.674   1.516  -1.754
   27    HA2  GLY   4          1HA       GLY   4  -1.276  -0.727  -1.841
   28    HA3  GLY   4          2HA       GLY   4  -0.543  -0.962  -0.231
   29    H    ILE   5           H        ILE   5  -2.600   1.615   0.045
   30    HA   ILE   5           HA       ILE   5  -4.466   0.126   1.665
   31    HB   ILE   5           HB       ILE   5  -4.737   2.927   0.449
   32   HG12  ILE   5          1HG1      ILE   5  -3.735   2.128   3.189
   33   HG13  ILE   5          2HG1      ILE   5  -2.655   2.523   1.836
   34   HG21  ILE   5          1HG2      ILE   5  -6.397   3.302   2.249
   35   HG22  ILE   5          2HG2      ILE   5  -6.037   1.727   2.980
   36   HG23  ILE   5          3HG2      ILE   5  -6.875   1.838   1.409
   37   HD11  ILE   5          1HD1      ILE   5  -4.705   4.493   2.975
   38   HD12  ILE   5          2HD1      ILE   5  -3.405   4.817   1.804
   39   HD13  ILE   5          3HD1      ILE   5  -3.023   4.419   3.488
   40    H    THR   6           H        THR   6  -4.770   1.494  -1.647
   41    HA   THR   6           HA       THR   6  -6.598  -0.615  -2.352
   42    HB   THR   6           HB       THR   6  -8.341   0.639  -1.338
   43    HG1  THR   6           HG1      THR   6  -9.261   0.110  -3.208
   44   HG21  THR   6          1HG2      THR   6  -8.840   3.024  -1.795
   45   HG22  THR   6          2HG2      THR   6  -7.387   3.175  -2.790
   46   HG23  THR   6          3HG2      THR   6  -7.240   2.888  -1.028
   47    H    ASP   7           H        ASP   7  -5.378   2.653  -3.345
   48    HA   ASP   7           HA       ASP   7  -5.437   1.750  -6.174
   49    HB2  ASP   7          1HB       ASP   7  -5.030   4.415  -4.747
   50    HB3  ASP   7          2HB       ASP   7  -4.775   4.224  -6.506
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -3.409  -0.283  -4.728
    2    HA2  GLY   1          1HA       GLY   1  -0.985  -0.141  -4.536
    3    HA3  GLY   1          2HA       GLY   1  -1.033   1.151  -5.785
    4    H    LEU   2           H        LEU   2  -0.387   3.025  -4.896
    5    HA   LEU   2           HA       LEU   2  -0.130   4.709  -3.396
    6    HB2  LEU   2          1HB       LEU   2  -3.074   4.183  -3.106
    7    HB3  LEU   2          2HB       LEU   2  -2.281   5.681  -2.592
    8    HG   LEU   2           HG       LEU   2  -2.526   4.636  -5.466
    9   HD11  LEU   2          1HD1      LEU   2  -4.042   6.660  -5.701
   10   HD12  LEU   2          2HD1      LEU   2  -3.787   7.032  -3.958
   11   HD13  LEU   2          3HD1      LEU   2  -4.635   5.536  -4.435
   12   HD21  LEU   2          1HD2      LEU   2  -0.413   5.883  -5.298
   13   HD22  LEU   2          2HD2      LEU   2  -1.264   7.223  -4.459
   14   HD23  LEU   2          3HD2      LEU   2  -1.641   6.846  -6.154
   15    H    LEU   3           H        LEU   3   1.242   3.383  -2.066
   16    HA   LEU   3           HA       LEU   3   2.024   2.660  -0.081
   17    HB2  LEU   3          1HB       LEU   3  -0.027   4.572   0.710
   18    HB3  LEU   3          2HB       LEU   3   0.271   3.353   1.944
   19    HG   LEU   3           HG       LEU   3   2.626   3.957   1.991
   20   HD11  LEU   3          1HD1      LEU   3   1.909   5.941  -0.184
   21   HD12  LEU   3          2HD1      LEU   3   3.048   4.582  -0.314
   22   HD13  LEU   3          3HD1      LEU   3   3.430   5.999   0.711
   23   HD21  LEU   3          1HD2      LEU   3   1.033   5.172   3.405
   24   HD22  LEU   3          2HD2      LEU   3   0.899   6.424   2.161
   25   HD23  LEU   3          3HD2      LEU   3   2.441   6.157   2.984
   26    H    GLY   4           H        GLY   4  -0.534   1.325  -1.486
   27    HA2  GLY   4          1HA       GLY   4  -1.011  -0.951  -1.378
   28    HA3  GLY   4          2HA       GLY   4  -0.304  -1.008   0.260
   29    H    ILE   5           H        ILE   5  -2.523   1.560  -0.468
   30    HA   ILE   5           HA       ILE   5  -4.520   0.415   1.337
   31    HB   ILE   5           HB       ILE   5  -4.310   3.265   0.234
   32   HG12  ILE   5          1HG1      ILE   5  -3.448   2.234   2.981
   33   HG13  ILE   5          2HG1      ILE   5  -2.321   2.492   1.649
   34   HG21  ILE   5          1HG2      ILE   5  -5.795   2.310   2.702
   35   HG22  ILE   5          2HG2      ILE   5  -6.577   2.458   1.104
   36   HG23  ILE   5          3HG2      ILE   5  -5.904   3.890   1.905
   37   HD11  ILE   5          1HD1      ILE   5  -3.927   4.687   2.940
   38   HD12  ILE   5          2HD1      ILE   5  -2.903   4.857   1.501
   39   HD13  ILE   5          3HD1      ILE   5  -2.155   4.390   3.036
   40    H    THR   6           H        THR   6  -4.426   1.913  -1.892
   41    HA   THR   6           HA       THR   6  -6.705   0.331  -2.816
   42    HB   THR   6           HB       THR   6  -7.737   2.717  -3.541
   43    HG1  THR   6           HG1      THR   6  -6.089   3.859  -2.412
   44   HG21  THR   6          1HG2      THR   6  -9.313   2.681  -1.700
   45   HG22  THR   6          2HG2      THR   6  -8.247   1.668  -0.720
   46   HG23  THR   6          3HG2      THR   6  -9.009   1.012  -2.213
   47    H    ASP   7           H        ASP   7  -6.252  -0.132  -4.896
   48    HA   ASP   7           HA       ASP   7  -5.098  -0.241  -6.890
   49    HB2  ASP   7          1HB       ASP   7  -6.778   1.646  -7.194
   50    HB3  ASP   7          2HB       ASP   7  -5.420   2.749  -6.870
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -3.394   1.414  -3.428
    2    HA2  GLY   1          1HA       GLY   1  -1.900  -0.280  -3.439
    3    HA3  GLY   1          2HA       GLY   1  -1.776  -0.208  -5.207
    4    H    LEU   2           H        LEU   2  -1.249   2.875  -4.398
    5    HA   LEU   2           HA       LEU   2   1.624   2.793  -4.673
    6    HB2  LEU   2          1HB       LEU   2  -0.460   4.944  -4.260
    7    HB3  LEU   2          2HB       LEU   2   1.150   5.268  -3.703
    8    HG   LEU   2           HG       LEU   2   2.022   4.660  -5.975
    9   HD11  LEU   2          1HD1      LEU   2   0.199   3.494  -6.955
   10   HD12  LEU   2          2HD1      LEU   2   0.429   5.008  -7.846
   11   HD13  LEU   2          3HD1      LEU   2  -0.910   4.858  -6.662
   12   HD21  LEU   2          1HD2      LEU   2   1.604   6.909  -6.835
   13   HD22  LEU   2          2HD2      LEU   2   1.742   6.992  -5.083
   14   HD23  LEU   2          3HD2      LEU   2   0.144   7.074  -5.824
   15    H    LEU   3           H        LEU   3  -0.569   3.428  -1.919
   16    HA   LEU   3           HA       LEU   3   1.701   3.048  -0.053
   17    HB2  LEU   3          1HB       LEU   3  -1.103   4.112   0.447
   18    HB3  LEU   3          2HB       LEU   3   0.160   4.028   1.659
   19    HG   LEU   3           HG       LEU   3   0.512   5.713  -0.873
   20   HD11  LEU   3          1HD1      LEU   3  -0.075   7.676   0.513
   21   HD12  LEU   3          2HD1      LEU   3  -0.583   6.571   1.848
   22   HD13  LEU   3          3HD1      LEU   3  -1.461   6.573   0.273
   23   HD21  LEU   3          1HD2      LEU   3   1.915   5.672   1.849
   24   HD22  LEU   3          2HD2      LEU   3   2.206   6.900   0.571
   25   HD23  LEU   3          3HD2      LEU   3   2.640   5.185   0.260
   26    H    GLY   4           H        GLY   4  -0.071   1.127  -1.714
   27    HA2  GLY   4          1HA       GLY   4  -0.493  -1.140  -1.311
   28    HA3  GLY   4          2HA       GLY   4  -0.429  -0.892   0.422
   29    H    ILE   5           H        ILE   5  -2.384   1.291   0.403
   30    HA   ILE   5           HA       ILE   5  -4.867  -0.330   0.449
   31    HB   ILE   5           HB       ILE   5  -4.264   2.565   1.374
   32   HG12  ILE   5          1HG1      ILE   5  -4.814   0.056   2.955
   33   HG13  ILE   5          2HG1      ILE   5  -3.199   0.700   2.691
   34   HG21  ILE   5          1HG2      ILE   5  -6.615   2.330   0.565
   35   HG22  ILE   5          2HG2      ILE   5  -6.532   2.570   2.319
   36   HG23  ILE   5          3HG2      ILE   5  -6.836   0.918   1.677
   37   HD11  ILE   5          1HD1      ILE   5  -5.469   2.128   4.196
   38   HD12  ILE   5          2HD1      ILE   5  -3.825   2.777   3.927
   39   HD13  ILE   5          3HD1      ILE   5  -4.048   1.292   4.917
   40    H    THR   6           H        THR   6  -6.260  -0.349  -1.068
   41    HA   THR   6           HA       THR   6  -7.331  -0.153  -2.992
   42    HB   THR   6           HB       THR   6  -7.403   2.841  -2.543
   43    HG1  THR   6           HG1      THR   6  -9.055   2.323  -1.038
   44   HG21  THR   6          1HG2      THR   6  -8.567   1.876  -4.562
   45   HG22  THR   6          2HG2      THR   6  -9.686   2.561  -3.380
   46   HG23  THR   6          3HG2      THR   6  -9.487   0.802  -3.464
   47    H    ASP   7           H        ASP   7  -5.412   2.858  -3.222
   48    HA   ASP   7           HA       ASP   7  -5.208   2.638  -6.129
   49    HB2  ASP   7          1HB       ASP   7  -4.284   4.494  -4.033
   50    HB3  ASP   7          2HB       ASP   7  -3.179   4.356  -5.393
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -3.534   1.121  -4.124
    2    HA2  GLY   1          1HA       GLY   1  -0.852   1.010  -5.183
    3    HA3  GLY   1          2HA       GLY   1  -1.725   2.435  -5.828
    4    H    LEU   2           H        LEU   2  -0.570   3.971  -4.675
    5    HA   LEU   2           HA       LEU   2   0.021   5.252  -2.854
    6    HB2  LEU   2          1HB       LEU   2  -2.852   4.664  -2.227
    7    HB3  LEU   2          2HB       LEU   2  -1.930   5.943  -1.464
    8    HG   LEU   2           HG       LEU   2  -2.559   5.777  -4.454
    9   HD11  LEU   2          1HD1      LEU   2  -4.599   6.008  -3.254
   10   HD12  LEU   2          2HD1      LEU   2  -4.181   7.583  -3.975
   11   HD13  LEU   2          3HD1      LEU   2  -3.912   7.296  -2.243
   12   HD21  LEU   2          1HD2      LEU   2  -0.521   7.121  -3.995
   13   HD22  LEU   2          2HD2      LEU   2  -1.422   8.078  -2.803
   14   HD23  LEU   2          3HD2      LEU   2  -1.866   8.145  -4.526
   15    H    LEU   3           H        LEU   3   1.357   3.135  -2.217
   16    HA   LEU   3           HA       LEU   3   2.260   1.946  -0.548
   17    HB2  LEU   3          1HB       LEU   3   0.879   3.830   1.354
   18    HB3  LEU   3          2HB       LEU   3   2.297   2.842   1.664
   19    HG   LEU   3           HG       LEU   3   2.294   5.199  -0.232
   20   HD11  LEU   3          1HD1      LEU   3   3.513   6.347   1.550
   21   HD12  LEU   3          2HD1      LEU   3   3.289   4.947   2.632
   22   HD13  LEU   3          3HD1      LEU   3   1.883   5.875   2.065
   23   HD21  LEU   3          1HD2      LEU   3   4.072   3.611  -0.845
   24   HD22  LEU   3          2HD2      LEU   3   4.576   3.425   0.849
   25   HD23  LEU   3          3HD2      LEU   3   4.802   4.956  -0.010
   26    H    GLY   4           H        GLY   4  -0.584   1.162  -1.401
   27    HA2  GLY   4          1HA       GLY   4  -1.179  -1.135  -0.743
   28    HA3  GLY   4          2HA       GLY   4  -0.924  -0.709   0.957
   29    H    ILE   5           H        ILE   5  -2.408   1.923  -0.521
   30    HA   ILE   5           HA       ILE   5  -5.050   1.123   0.595
   31    HB   ILE   5           HB       ILE   5  -4.242   3.689  -0.817
   32   HG12  ILE   5          1HG1      ILE   5  -4.490   3.084   2.158
   33   HG13  ILE   5          2HG1      ILE   5  -2.970   3.267   1.278
   34   HG21  ILE   5          1HG2      ILE   5  -6.725   2.834   0.694
   35   HG22  ILE   5          2HG2      ILE   5  -6.561   3.371  -1.022
   36   HG23  ILE   5          3HG2      ILE   5  -6.320   4.532   0.292
   37   HD11  ILE   5          1HD1      ILE   5  -3.639   5.610   0.617
   38   HD12  ILE   5          2HD1      ILE   5  -3.361   5.385   2.356
   39   HD13  ILE   5          3HD1      ILE   5  -5.039   5.444   1.719
   40    H    THR   6           H        THR   6  -6.222  -0.177  -0.586
   41    HA   THR   6           HA       THR   6  -7.398  -1.169  -2.225
   42    HB   THR   6           HB       THR   6  -7.378   1.447  -3.727
   43    HG1  THR   6           HG1      THR   6  -8.080   1.121  -1.338
   44   HG21  THR   6          1HG2      THR   6  -8.273  -0.571  -4.954
   45   HG22  THR   6          2HG2      THR   6  -9.512   0.641  -4.609
   46   HG23  THR   6          3HG2      THR   6  -9.424  -0.815  -3.635
   47    H    ASP   7           H        ASP   7  -5.551   0.871  -4.563
   48    HA   ASP   7           HA       ASP   7  -4.380  -1.683  -5.591
   49    HB2  ASP   7          1HB       ASP   7  -5.589   0.601  -7.158
   50    HB3  ASP   7          2HB       ASP   7  -4.584  -0.671  -7.891
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -3.531   0.968  -3.776
    2    HA2  GLY   1          1HA       GLY   1  -1.259   0.833  -5.712
    3    HA3  GLY   1          2HA       GLY   1  -2.436   2.157  -5.877
    4    H    LEU   2           H        LEU   2  -0.072   3.147  -5.433
    5    HA   LEU   2           HA       LEU   2   1.360   4.338  -4.027
    6    HB2  LEU   2          1HB       LEU   2  -1.234   4.684  -2.466
    7    HB3  LEU   2          2HB       LEU   2   0.266   5.645  -2.354
    8    HG   LEU   2           HG       LEU   2  -1.424   5.424  -4.855
    9   HD11  LEU   2          1HD1      LEU   2  -2.657   6.585  -3.006
   10   HD12  LEU   2          2HD1      LEU   2  -2.162   7.755  -4.247
   11   HD13  LEU   2          3HD1      LEU   2  -1.249   7.633  -2.727
   12   HD21  LEU   2          1HD2      LEU   2   0.963   6.071  -5.306
   13   HD22  LEU   2          2HD2      LEU   2   0.857   7.302  -4.055
   14   HD23  LEU   2          3HD2      LEU   2  -0.108   7.466  -5.526
   15    H    LEU   3           H        LEU   3  -0.286   3.973  -1.026
   16    HA   LEU   3           HA       LEU   3   2.054   2.555  -0.005
   17    HB2  LEU   3          1HB       LEU   3  -0.413   3.624   1.451
   18    HB3  LEU   3          2HB       LEU   3   1.021   3.012   2.206
   19    HG   LEU   3           HG       LEU   3   2.070   5.099   0.758
   20   HD11  LEU   3          1HD1      LEU   3   0.486   7.008   1.174
   21   HD12  LEU   3          2HD1      LEU   3  -0.722   5.887   1.838
   22   HD13  LEU   3          3HD1      LEU   3  -0.259   5.808   0.121
   23   HD21  LEU   3          1HD2      LEU   3   2.278   6.193   2.871
   24   HD22  LEU   3          2HD2      LEU   3   2.430   4.445   3.154
   25   HD23  LEU   3          3HD2      LEU   3   0.897   5.306   3.562
   26    H    GLY   4           H        GLY   4  -0.477   1.312  -1.645
   27    HA2  GLY   4          1HA       GLY   4  -0.997  -1.022  -1.578
   28    HA3  GLY   4          2HA       GLY   4  -0.588  -1.075   0.164
   29    H    ILE   5           H        ILE   5  -2.249   1.706  -0.608
   30    HA   ILE   5           HA       ILE   5  -4.798   0.593   0.564
   31    HB   ILE   5           HB       ILE   5  -3.813   2.564   1.754
   32   HG12  ILE   5          1HG1      ILE   5  -6.385   3.243   0.269
   33   HG13  ILE   5          2HG1      ILE   5  -6.230   2.110   1.618
   34   HG21  ILE   5          1HG2      ILE   5  -3.558   4.746   0.673
   35   HG22  ILE   5          2HG2      ILE   5  -4.161   4.139  -0.886
   36   HG23  ILE   5          3HG2      ILE   5  -2.589   3.574  -0.216
   37   HD11  ILE   5          1HD1      ILE   5  -5.636   3.927   3.151
   38   HD12  ILE   5          2HD1      ILE   5  -7.101   4.410   2.262
   39   HD13  ILE   5          3HD1      ILE   5  -5.523   5.104   1.834
   40    H    THR   6           H        THR   6  -6.580   0.418  -0.682
   41    HA   THR   6           HA       THR   6  -7.772   0.216  -2.642
   42    HB   THR   6           HB       THR   6  -6.562   2.799  -3.658
   43    HG1  THR   6           HG1      THR   6  -6.797   3.106  -1.449
   44   HG21  THR   6          1HG2      THR   6  -9.325   1.532  -3.628
   45   HG22  THR   6          2HG2      THR   6  -8.374   2.049  -5.020
   46   HG23  THR   6          3HG2      THR   6  -9.114   3.244  -3.966
   47    H    ASP   7           H        ASP   7  -5.302  -0.996  -2.531
   48    HA   ASP   7           HA       ASP   7  -3.851  -2.136  -3.735
   49    HB2  ASP   7          1HB       ASP   7  -5.597  -1.518  -6.146
   50    HB3  ASP   7          2HB       ASP   7  -4.478  -2.875  -5.966
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -3.824   1.278  -3.948
    2    HA2  GLY   1          1HA       GLY   1  -1.888   0.261  -4.732
    3    HA3  GLY   1          2HA       GLY   1  -1.887   1.352  -6.096
    4    H    LEU   2           H        LEU   2   0.471   0.656  -4.922
    5    HA   LEU   2           HA       LEU   2   2.417   1.562  -4.244
    6    HB2  LEU   2          1HB       LEU   2   1.484   3.451  -5.708
    7    HB3  LEU   2          2HB       LEU   2   1.279   4.341  -4.196
    8    HG   LEU   2           HG       LEU   2   3.762   4.021  -3.765
    9   HD11  LEU   2          1HD1      LEU   2   5.169   3.472  -5.756
   10   HD12  LEU   2          2HD1      LEU   2   3.711   2.995  -6.626
   11   HD13  LEU   2          3HD1      LEU   2   4.246   2.082  -5.191
   12   HD21  LEU   2          1HD2      LEU   2   3.017   5.443  -6.393
   13   HD22  LEU   2          2HD2      LEU   2   4.385   5.843  -5.373
   14   HD23  LEU   2          3HD2      LEU   2   2.777   6.149  -4.780
   15    H    LEU   3           H        LEU   3  -0.263   2.715  -2.310
   16    HA   LEU   3           HA       LEU   3   1.610   3.258  -0.074
   17    HB2  LEU   3          1HB       LEU   3  -1.308   3.867  -0.443
   18    HB3  LEU   3          2HB       LEU   3  -0.336   4.449   0.908
   19    HG   LEU   3           HG       LEU   3   0.033   5.226  -2.011
   20   HD11  LEU   3          1HD1      LEU   3  -1.002   7.244  -1.622
   21   HD12  LEU   3          2HD1      LEU   3  -1.086   6.994   0.151
   22   HD13  LEU   3          3HD1      LEU   3  -2.105   6.023  -0.975
   23   HD21  LEU   3          1HD2      LEU   3   2.142   5.435  -0.768
   24   HD22  LEU   3          2HD2      LEU   3   1.334   6.361   0.517
   25   HD23  LEU   3          3HD2      LEU   3   1.483   7.056  -1.107
   26    H    GLY   4           H        GLY   4  -0.012   0.560  -1.018
   27    HA2  GLY   4          1HA       GLY   4  -0.645  -1.310   0.202
   28    HA3  GLY   4          2HA       GLY   4  -0.210  -0.441   1.686
   29    H    ILE   5           H        ILE   5  -2.426   0.528  -0.948
   30    HA   ILE   5           HA       ILE   5  -4.779  -0.116   0.695
   31    HB   ILE   5           HB       ILE   5  -3.919   2.261   1.358
   32   HG12  ILE   5          1HG1      ILE   5  -6.703   2.129   0.117
   33   HG13  ILE   5          2HG1      ILE   5  -6.241   1.317   1.619
   34   HG21  ILE   5          1HG2      ILE   5  -4.263   4.150  -0.119
   35   HG22  ILE   5          2HG2      ILE   5  -4.996   3.161  -1.349
   36   HG23  ILE   5          3HG2      ILE   5  -3.257   2.987  -1.011
   37   HD11  ILE   5          1HD1      ILE   5  -7.290   3.384   2.291
   38   HD12  ILE   5          2HD1      ILE   5  -6.222   4.370   1.214
   39   HD13  ILE   5          3HD1      ILE   5  -5.547   3.485   2.606
   40    H    THR   6           H        THR   6  -6.715   0.594  -0.921
   41    HA   THR   6           HA       THR   6  -6.218  -0.965  -3.287
   42    HB   THR   6           HB       THR   6  -8.576  -0.227  -4.003
   43    HG1  THR   6           HG1      THR   6  -8.714   1.743  -2.826
   44   HG21  THR   6          1HG2      THR   6  -9.667  -1.482  -2.218
   45   HG22  THR   6          2HG2      THR   6  -8.157  -1.414  -1.269
   46   HG23  THR   6          3HG2      THR   6  -8.219  -2.296  -2.790
   47    H    ASP   7           H        ASP   7  -5.519   2.346  -2.902
   48    HA   ASP   7           HA       ASP   7  -6.031   3.087  -5.674
   49    HB2  ASP   7          1HB       ASP   7  -4.764   4.446  -3.253
   50    HB3  ASP   7          2HB       ASP   7  -4.658   5.133  -4.871
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -3.885   0.431  -4.625
    2    HA2  GLY   1          1HA       GLY   1  -1.862  -0.717  -4.660
    3    HA3  GLY   1          2HA       GLY   1  -1.395   0.112  -6.137
    4    H    LEU   2           H        LEU   2  -1.763   2.784  -4.985
    5    HA   LEU   2           HA       LEU   2   0.793   3.320  -3.828
    6    HB2  LEU   2          1HB       LEU   2  -1.805   4.947  -3.829
    7    HB3  LEU   2          2HB       LEU   2  -0.211   5.543  -3.377
    8    HG   LEU   2           HG       LEU   2  -0.914   4.495  -6.163
    9   HD11  LEU   2          1HD1      LEU   2  -0.694   7.384  -5.058
   10   HD12  LEU   2          2HD1      LEU   2  -2.200   6.579  -5.588
   11   HD13  LEU   2          3HD1      LEU   2  -0.914   6.933  -6.751
   12   HD21  LEU   2          1HD2      LEU   2   1.529   6.019  -5.052
   13   HD22  LEU   2          2HD2      LEU   2   1.186   5.722  -6.787
   14   HD23  LEU   2          3HD2      LEU   2   1.525   4.346  -5.684
   15    H    LEU   3           H        LEU   3   1.463   3.514  -1.790
   16    HA   LEU   3           HA       LEU   3   1.630   3.073   0.427
   17    HB2  LEU   3          1HB       LEU   3   0.052   5.100   0.434
   18    HB3  LEU   3          2HB       LEU   3  -1.276   3.989   0.672
   19    HG   LEU   3           HG       LEU   3  -0.252   3.372   2.903
   20   HD11  LEU   3          1HD1      LEU   3   2.092   4.098   2.271
   21   HD12  LEU   3          2HD1      LEU   3   1.488   4.610   3.855
   22   HD13  LEU   3          3HD1      LEU   3   1.523   5.807   2.510
   23   HD21  LEU   3          1HD2      LEU   3  -1.036   5.325   4.005
   24   HD22  LEU   3          2HD2      LEU   3  -2.046   4.943   2.613
   25   HD23  LEU   3          3HD2      LEU   3  -0.875   6.259   2.449
   26    H    GLY   4           H        GLY   4   0.073   1.168  -1.592
   27    HA2  GLY   4          1HA       GLY   4  -0.682  -0.992  -1.518
   28    HA3  GLY   4          2HA       GLY   4  -0.008  -1.071   0.123
   29    H    ILE   5           H        ILE   5  -2.447   1.385  -0.531
   30    HA   ILE   5           HA       ILE   5  -4.308  -0.258   1.123
   31    HB   ILE   5           HB       ILE   5  -3.293   1.638   2.313
   32   HG12  ILE   5          1HG1      ILE   5  -6.293   2.022   1.876
   33   HG13  ILE   5          2HG1      ILE   5  -5.546   0.704   2.828
   34   HG21  ILE   5          1HG2      ILE   5  -4.920   3.484   0.579
   35   HG22  ILE   5          2HG2      ILE   5  -3.198   3.168   0.246
   36   HG23  ILE   5          3HG2      ILE   5  -3.686   3.900   1.801
   37   HD11  ILE   5          1HD1      ILE   5  -6.297   2.431   4.373
   38   HD12  ILE   5          2HD1      ILE   5  -5.475   3.710   3.466
   39   HD13  ILE   5          3HD1      ILE   5  -4.529   2.484   4.346
   40    H    THR   6           H        THR   6  -4.316   2.006  -1.680
   41    HA   THR   6           HA       THR   6  -6.975   0.894  -2.282
   42    HB   THR   6           HB       THR   6  -7.629   3.145  -3.263
   43    HG1  THR   6           HG1      THR   6  -6.358   4.926  -2.745
   44   HG21  THR   6          1HG2      THR   6  -8.307   2.365  -0.935
   45   HG22  THR   6          2HG2      THR   6  -8.288   4.135  -1.202
   46   HG23  THR   6          3HG2      THR   6  -6.943   3.343  -0.331
   47    H    ASP   7           H        ASP   7  -5.269   3.326  -4.281
   48    HA   ASP   7           HA       ASP   7  -5.540   1.497  -6.568
   49    HB2  ASP   7          1HB       ASP   7  -4.676   4.366  -6.267
   50    HB3  ASP   7          2HB       ASP   7  -4.470   3.469  -7.783
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -3.568   1.001  -3.436
    2    HA2  GLY   1          1HA       GLY   1  -2.396   2.492  -5.555
    3    HA3  GLY   1          2HA       GLY   1  -2.683   3.049  -3.903
    4    H    LEU   2           H        LEU   2  -0.607   4.164  -4.417
    5    HA   LEU   2           HA       LEU   2   1.860   2.864  -4.677
    6    HB2  LEU   2          1HB       LEU   2   1.180   5.448  -3.214
    7    HB3  LEU   2          2HB       LEU   2   2.802   4.990  -3.753
    8    HG   LEU   2           HG       LEU   2   0.488   5.617  -5.607
    9   HD11  LEU   2          1HD1      LEU   2   1.829   7.698  -6.015
   10   HD12  LEU   2          2HD1      LEU   2   2.908   7.230  -4.676
   11   HD13  LEU   2          3HD1      LEU   2   1.196   7.593  -4.370
   12   HD21  LEU   2          1HD2      LEU   2   2.284   4.064  -6.581
   13   HD22  LEU   2          2HD2      LEU   2   3.420   5.423  -6.386
   14   HD23  LEU   2          3HD2      LEU   2   1.988   5.591  -7.427
   15    H    LEU   3           H        LEU   3  -0.077   3.581  -1.809
   16    HA   LEU   3           HA       LEU   3   2.022   2.349  -0.079
   17    HB2  LEU   3          1HB       LEU   3   0.927   3.593   1.775
   18    HB3  LEU   3          2HB       LEU   3   1.772   4.557   0.587
   19    HG   LEU   3           HG       LEU   3  -0.374   5.398   1.762
   20   HD11  LEU   3          1HD1      LEU   3  -0.782   7.017   0.011
   21   HD12  LEU   3          2HD1      LEU   3  -0.130   5.906  -1.215
   22   HD13  LEU   3          3HD1      LEU   3   0.955   6.640  -0.010
   23   HD21  LEU   3          1HD2      LEU   3  -1.849   3.598   1.102
   24   HD22  LEU   3          2HD2      LEU   3  -1.622   4.063  -0.591
   25   HD23  LEU   3          3HD2      LEU   3  -2.396   5.192   0.512
   26    H    GLY   4           H        GLY   4  -0.123   0.997  -1.763
   27    HA2  GLY   4          1HA       GLY   4  -1.130  -1.013  -1.469
   28    HA3  GLY   4          2HA       GLY   4  -0.879  -0.874   0.260
   29    H    ILE   5           H        ILE   5  -2.550   1.742   0.277
   30    HA   ILE   5           HA       ILE   5  -5.066   0.380   0.742
   31    HB   ILE   5           HB       ILE   5  -4.541   3.369   0.279
   32   HG12  ILE   5          1HG1      ILE   5  -4.974   1.909   2.952
   33   HG13  ILE   5          2HG1      ILE   5  -3.395   2.316   2.255
   34   HG21  ILE   5          1HG2      ILE   5  -6.943   2.866  -0.088
   35   HG22  ILE   5          2HG2      ILE   5  -6.765   3.741   1.444
   36   HG23  ILE   5          3HG2      ILE   5  -7.033   1.965   1.456
   37   HD11  ILE   5          1HD1      ILE   5  -5.514   4.413   3.011
   38   HD12  ILE   5          2HD1      ILE   5  -3.844   4.727   2.440
   39   HD13  ILE   5          3HD1      ILE   5  -4.131   3.961   4.042
   40    H    THR   6           H        THR   6  -6.636  -0.084  -0.724
   41    HA   THR   6           HA       THR   6  -7.388  -0.701  -2.775
   42    HB   THR   6           HB       THR   6  -8.633   1.346  -2.292
   43    HG1  THR   6           HG1      THR   6  -8.071   0.877  -5.037
   44   HG21  THR   6          1HG2      THR   6  -6.513   2.770  -3.927
   45   HG22  THR   6          2HG2      THR   6  -7.088   3.096  -2.315
   46   HG23  THR   6          3HG2      THR   6  -8.151   3.390  -3.666
   47    H    ASP   7           H        ASP   7  -4.854  -1.267  -2.737
   48    HA   ASP   7           HA       ASP   7  -3.108  -1.904  -4.021
   49    HB2  ASP   7          1HB       ASP   7  -5.024  -1.383  -6.300
   50    HB3  ASP   7          2HB       ASP   7  -3.446  -2.138  -6.465
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -3.473   0.889  -3.630
    2    HA2  GLY   1          1HA       GLY   1  -1.205   0.948  -5.546
    3    HA3  GLY   1          2HA       GLY   1  -2.513   2.127  -5.778
    4    H    LEU   2           H        LEU   2  -0.074   3.184  -5.415
    5    HA   LEU   2           HA       LEU   2   1.284   4.439  -4.018
    6    HB2  LEU   2          1HB       LEU   2  -1.246   4.755  -2.385
    7    HB3  LEU   2          2HB       LEU   2   0.205   5.737  -2.226
    8    HG   LEU   2           HG       LEU   2  -1.554   5.618  -4.738
    9   HD11  LEU   2          1HD1      LEU   2  -2.847   6.512  -2.847
   10   HD12  LEU   2          2HD1      LEU   2  -2.430   7.852  -3.950
   11   HD13  LEU   2          3HD1      LEU   2  -1.524   7.651  -2.432
   12   HD21  LEU   2          1HD2      LEU   2  -0.398   7.744  -5.290
   13   HD22  LEU   2          2HD2      LEU   2   0.747   6.361  -5.159
   14   HD23  LEU   2          3HD2      LEU   2   0.612   7.577  -3.841
   15    H    LEU   3           H        LEU   3  -0.356   3.844  -1.015
   16    HA   LEU   3           HA       LEU   3   2.050   2.495  -0.057
   17    HB2  LEU   3          1HB       LEU   3  -0.338   3.667   1.334
   18    HB3  LEU   3          2HB       LEU   3   0.913   2.748   2.195
   19    HG   LEU   3           HG       LEU   3   2.620   4.561   1.519
   20   HD11  LEU   3          1HD1      LEU   3   1.500   5.637  -0.321
   21   HD12  LEU   3          2HD1      LEU   3   1.585   6.812   0.994
   22   HD13  LEU   3          3HD1      LEU   3   0.063   5.972   0.658
   23   HD21  LEU   3          1HD2      LEU   3   0.276   5.501   3.176
   24   HD22  LEU   3          2HD2      LEU   3   1.932   6.071   3.268
   25   HD23  LEU   3          3HD2      LEU   3   1.540   4.413   3.749
   26    H    GLY   4           H        GLY   4  -0.515   1.397  -1.595
   27    HA2  GLY   4          1HA       GLY   4  -1.017  -0.970  -1.674
   28    HA3  GLY   4          2HA       GLY   4  -0.759  -1.082   0.077
   29    H    ILE   5           H        ILE   5  -2.219   1.751  -0.177
   30    HA   ILE   5           HA       ILE   5  -4.858   0.910   0.612
   31    HB   ILE   5           HB       ILE   5  -3.846   3.692  -0.282
   32   HG12  ILE   5          1HG1      ILE   5  -4.125   2.686   2.571
   33   HG13  ILE   5          2HG1      ILE   5  -2.625   2.589   1.662
   34   HG21  ILE   5          1HG2      ILE   5  -5.778   4.611   1.051
   35   HG22  ILE   5          2HG2      ILE   5  -6.372   2.937   1.298
   36   HG23  ILE   5          3HG2      ILE   5  -6.278   3.657  -0.354
   37   HD11  ILE   5          1HD1      ILE   5  -2.339   4.564   2.907
   38   HD12  ILE   5          2HD1      ILE   5  -4.011   5.134   2.611
   39   HD13  ILE   5          3HD1      ILE   5  -2.819   5.151   1.289
   40    H    THR   6           H        THR   6  -6.569   0.433  -0.727
   41    HA   THR   6           HA       THR   6  -7.692  -0.013  -2.644
   42    HB   THR   6           HB       THR   6  -8.087   2.490  -2.374
   43    HG1  THR   6           HG1      THR   6  -9.249   2.493  -4.272
   44   HG21  THR   6          1HG2      THR   6  -7.315   3.840  -4.446
   45   HG22  THR   6          2HG2      THR   6  -5.949   2.718  -4.505
   46   HG23  THR   6          3HG2      THR   6  -6.211   3.691  -3.061
   47    H    ASP   7           H        ASP   7  -5.170  -1.066  -2.468
   48    HA   ASP   7           HA       ASP   7  -3.528  -2.231  -3.589
   49    HB2  ASP   7          1HB       ASP   7  -5.411  -1.960  -5.988
   50    HB3  ASP   7          2HB       ASP   7  -3.992  -3.023  -5.835