*HEADER    HORMONE/GROWTH FACTOR                   22-APR-02   1LJV              
*TITLE     BOVINE PANCREATIC POLYPEPTIDE BOUND TO DPC MICELLES                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PANCREATIC HORMONE;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PANCREATIC POLYPEPTIDE, PP;                                 
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   3 ORGANISM_COMMON: BOVINE;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PUBK19                                    
*KEYWDS    NMR MICELLE PEPTIDE HORMONE                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.LERCH, V.GAFNER, R.BADER, B.CHRISTEN, O.ZERBE                       
*REVDAT   1   09-OCT-02 1LJV    0                                                


  3 LEU  HA      3 LEU  QD1     6.06                
  3 LEU  HA      3 LEU  QD2     6.06                
  3 LEU  HA      4 GLU- HN      3.42                
  4 GLU- HA      5 PRO  HD2     4.01                
  4 GLU- HA      5 PRO  HD3     4.01                
  5 PRO  HA      6 GLU- HN      3.21                
  6 GLU- HN      6 GLU- QB      3.86                
  6 GLU- HN      6 GLU- QG      6.38                
  6 GLU- HA      7 TYR  HN      3.08                
  7 TYR  HN      7 TYR  HB2     4.04                
  7 TYR  HN      7 TYR  HB3     4.04                
  7 TYR  HA      8 PRO  HD2     4.04                
  7 TYR  HA      8 PRO  HD3     4.04                
  7 TYR  HA      8 PRO  QD      3.72                
  7 TYR  HB2     8 PRO  HD2     7.25                
  7 TYR  HB2     8 PRO  HD3     7.25                
  7 TYR  HB3     8 PRO  HD2     7.25                
  7 TYR  HB3     8 PRO  HD3     7.25                
  7 TYR  QB      8 PRO  QD      6.32                
  7 TYR  QD      8 PRO  QD      8.52                
  8 PRO  HA      9 GLY  HN      3.27                
  9 GLY  HN     10 ASP- HN      4.32                
 10 ASP- HN     10 ASP- HB2     4.11                
 10 ASP- HN     10 ASP- HB3     4.11                
 10 ASP- HN     10 ASP- QB      3.89                
 10 ASP- HA     11 ASN  HN      3.39                
 10 ASP- HB2    11 ASN  HN      4.79                
 10 ASP- HB3    11 ASN  HN      4.79                
 11 ASN  HN     11 ASN  QB      3.85                
 11 ASN  HN     12 ALA  HN      3.49                
 11 ASN  HA     12 ALA  HN      3.30                
 12 ALA  HN     12 ALA  HA      2.93                
 12 ALA  HA     13 THR  HN      2.68                
 12 ALA  QB     15 GLU- QG      7.09                
 12 ALA  QB     17 MET  HG2     6.53                
 12 ALA  QB     17 MET  HG3     6.53                
 13 THR  HN     13 THR  HG21    2.80                
 13 THR  HA     13 THR  HG21    2.68                
 13 THR  HA     14 PRO  HD2     3.39                
 13 THR  HA     14 PRO  HD3     3.39                
 13 THR  HA     14 PRO  QD      3.21                
 13 THR  HB     13 THR  HG21    2.46                
 13 THR  HB     14 PRO  HD2     4.04                
 13 THR  HB     14 PRO  HD3     4.04                
 13 THR  HB     14 PRO  QD      3.72                
 13 THR  HB     15 GLU- HN      3.89                
 13 THR  HG21   14 PRO  HD2     4.07                
 13 THR  HG21   14 PRO  HD3     4.07                
 13 THR  HG21   14 PRO  QD      3.87                
 14 PRO  HA     15 GLU- HN      3.24                
 14 PRO  HA     17 MET  HN      4.91                
 14 PRO  QD     15 GLU- HN      5.59                
 15 GLU- HN     15 GLU- HB2     3.67                
 15 GLU- HN     15 GLU- HB3     3.67                
 15 GLU- HN     15 GLU- QB      3.15                
 15 GLU- HN     15 GLU- QG      6.38                
 15 GLU- HN     16 GLN  HN      3.52                
 15 GLU- HN     16 GLN  QB      5.97                
 15 GLU- HA     16 GLN  HN      3.42                
 16 GLN  HN     16 GLN  HB2     2.93                
 16 GLN  HN     16 GLN  HB3     2.93                
 16 GLN  HN     16 GLN  QB      2.73                
 16 GLN  HN     16 GLN  QG      5.54                
 16 GLN  HN     17 MET  HN      3.27                
 16 GLN  HA     16 GLN  QG      3.81                
 16 GLN  HA     19 GLN  HN      4.04                
 16 GLN  HA     19 GLN  QB      5.17                
 16 GLN  HB2    17 MET  HN      3.70                
 16 GLN  HB3    17 MET  HN      3.70                
 16 GLN  QB     17 MET  HN      3.53                
 16 GLN  QG     17 MET  HN      6.38                
 17 MET  HN     17 MET  HB2     3.21                
 17 MET  HN     17 MET  HB3     3.21                
 17 MET  HN     17 MET  QB      3.02                
 17 MET  HN     17 MET  HG2     4.38                
 17 MET  HN     17 MET  HG3     4.38                
 17 MET  HN     18 ALA  HN      3.21                
 17 MET  HN     19 GLN  HN      4.35                
 17 MET  HA     18 ALA  HN      3.52                
 17 MET  HA     19 GLN  HN      4.04                
 17 MET  HA     20 TYR  HN      4.04                
 17 MET  HA     20 TYR  HB2     4.23                
 17 MET  HA     20 TYR  HB3     4.23                
 17 MET  HA     20 TYR  QB      3.91                
 17 MET  HA     20 TYR  QD      6.74                
 17 MET  QB     18 ALA  HN      4.39                
 18 ALA  HN     18 ALA  HA      2.90                
 18 ALA  HN     19 GLN  QG      6.38                
 18 ALA  HA     19 GLN  HN      3.58                
 18 ALA  HA     21 ALA  HN      4.23                
 18 ALA  HA     21 ALA  QB      6.25                
 18 ALA  QB     19 GLN  HA      6.25                
 19 GLN  HN     19 GLN  HB2     3.24                
 19 GLN  HN     19 GLN  HB3     3.24                
 19 GLN  HN     19 GLN  QB      2.97                
 19 GLN  HN     19 GLN  HG2     5.13                
 19 GLN  HN     19 GLN  HG3     5.13                
 19 GLN  HN     19 GLN  QG      4.70                
 19 GLN  HN     20 TYR  HN      2.83                
 19 GLN  HA     21 ALA  HN      5.13                
 19 GLN  HA     22 ALA  QB      4.54                
 19 GLN  HB2    20 TYR  HN      3.52                
 19 GLN  HB3    20 TYR  HN      3.52                
 19 GLN  QB     20 TYR  HN      3.22                
 19 GLN  HG2    20 TYR  QD      7.64                
 19 GLN  HG3    20 TYR  QD      7.64                
 20 TYR  HN     20 TYR  HB2     3.27                
 20 TYR  HN     20 TYR  HB3     3.27                
 20 TYR  HN     20 TYR  QB      2.98                
 20 TYR  HN     21 ALA  HN      3.21                
 20 TYR  HA     22 ALA  HN      4.51                
 20 TYR  HA     23 GLU- HN      3.89                
 20 TYR  HA     23 GLU- QB      4.73                
 20 TYR  HB2    21 ALA  HN      3.92                
 20 TYR  HB3    21 ALA  HN      3.92                
 20 TYR  QB     21 ALA  HN      3.65                
 21 ALA  HN     22 ALA  HN      2.99                
 21 ALA  HA     24 LEU  HN      3.95                
 21 ALA  HA     24 LEU  QB      4.02                
 21 ALA  HA     24 LEU  QD1     6.53                
 21 ALA  HA     24 LEU  QD2     6.53                
 21 ALA  HA     24 LEU  QQD     6.18                
 21 ALA  HA     25 ARG+ HN      4.51                
 22 ALA  HN     22 ALA  QB      3.43                
 22 ALA  HA     23 GLU- HN      3.58                
 22 ALA  HA     25 ARG+ HN      3.67                
 22 ALA  HA     25 ARG+ QB      4.55                
 22 ALA  HA     25 ARG+ HD2     5.50                
 22 ALA  HA     25 ARG+ HD3     5.50                
 23 GLU- HN     23 GLU- HB2     3.33                
 23 GLU- HN     23 GLU- HB3     3.33                
 23 GLU- HN     23 GLU- QB      3.07                
 23 GLU- HN     23 GLU- HG2     5.07                
 23 GLU- HN     23 GLU- HG3     5.07                
 23 GLU- HN     23 GLU- QG      4.57                
 23 GLU- HN     24 LEU  HN      3.05                
 23 GLU- HA     26 ARG+ HN      3.55                
 23 GLU- HA     26 ARG+ QB      4.70                
 23 GLU- HB2    24 LEU  HN      3.95                
 23 GLU- HB3    24 LEU  HN      3.95                
 23 GLU- QB     24 LEU  HN      3.76                
 24 LEU  HN     24 LEU  QD1     6.53                
 24 LEU  HN     24 LEU  QD2     6.53                
 24 LEU  HN     25 ARG+ HN      3.45                
 24 LEU  HA     24 LEU  QD1     4.98                
 24 LEU  HA     24 LEU  QD2     4.98                
 24 LEU  HA     27 TYR  HN      4.23                
 24 LEU  HA     27 TYR  HB2     3.61                
 24 LEU  HA     27 TYR  HB3     3.61                
 24 LEU  HA     27 TYR  QD      7.21                
 24 LEU  HA     28 ILE  HN      5.22                
 24 LEU  QD1    25 ARG+ HN      6.53                
 24 LEU  QD1    27 TYR  HB2     8.28                
 24 LEU  QD1    27 TYR  HB3     8.28                
 24 LEU  QD1    27 TYR  QD      8.67                
 24 LEU  QD2    25 ARG+ HN      6.53                
 24 LEU  QD2    27 TYR  HB2     8.28                
 24 LEU  QD2    27 TYR  HB3     8.28                
 24 LEU  QD2    27 TYR  QD      8.67                
 24 LEU  QQD    27 TYR  QB      7.08                
 24 LEU  QQD    28 ILE  QG1     6.21                
 25 ARG+ HN     25 ARG+ HB2     2.80                
 25 ARG+ HN     25 ARG+ HB3     2.80                
 25 ARG+ HN     25 ARG+ QG      6.38                
 25 ARG+ HN     26 ARG+ HN      3.18                
 25 ARG+ HA     25 ARG+ HB2     2.80                
 25 ARG+ HA     25 ARG+ HB3     2.80                
 25 ARG+ HA     25 ARG+ QB      2.57                
 25 ARG+ HA     25 ARG+ QG      3.91                
 25 ARG+ HA     25 ARG+ HD2     5.50                
 25 ARG+ HA     25 ARG+ HD3     5.50                
 25 ARG+ HA     26 ARG+ QG      5.23                
 25 ARG+ HA     28 ILE  HN      3.76                
 25 ARG+ HA     28 ILE  QG2     6.03                
 25 ARG+ HA     28 ILE  QG1     4.55                
 25 ARG+ HA     28 ILE  QD1     5.01                
 25 ARG+ QD     26 ARG+ QG      5.73                
 26 ARG+ HN     26 ARG+ QG      4.70                
 26 ARG+ HN     27 TYR  HN      3.27                
 26 ARG+ HN     28 ILE  HN      5.25                
 26 ARG+ HA     29 ASN  HN      4.04                
 26 ARG+ HA     29 ASN  HB2     3.86                
 26 ARG+ HA     29 ASN  HB3     3.86                
 26 ARG+ HA     29 ASN  QB      3.54                
 26 ARG+ HB2    27 TYR  HN      4.04                
 26 ARG+ HB3    27 TYR  HN      4.04                
 26 ARG+ QB     27 TYR  HN      3.60                
 27 TYR  HN     27 TYR  HB2     3.02                
 27 TYR  HN     27 TYR  HB3     3.02                
 27 TYR  HN     28 ILE  HN      3.27                
 27 TYR  HA     30 MET  HB2     4.04                
 27 TYR  HA     30 MET  HB3     4.04                
 27 TYR  HA     30 MET  QB      3.85                
 27 TYR  HA     30 MET  HG2     5.50                
 27 TYR  HA     30 MET  HG3     5.50                
 27 TYR  HA     30 MET  QG      5.05                
 27 TYR  HA     30 MET  QE      6.16                
 27 TYR  HB2    28 ILE  HN      3.86                
 27 TYR  HB3    28 ILE  HN      3.86                
 27 TYR  QD     30 MET  QE      8.67                
 27 TYR  QE     30 MET  QE      8.66                
 27 TYR  QE     31 LEU  QD1     8.66                
 27 TYR  QE     31 LEU  QD2     8.66                
 28 ILE  HN     28 ILE  HB      2.93                
 28 ILE  HN     28 ILE  HG12    4.48                
 28 ILE  HN     28 ILE  HG13    4.48                
 28 ILE  HN     28 ILE  QG1     3.97                
 28 ILE  HN     28 ILE  QD1     6.53                
 28 ILE  HN     29 ASN  HN      3.21                
 28 ILE  HN     30 MET  HN      5.50                
 28 ILE  HA     28 ILE  HG12    4.01                
 28 ILE  HA     28 ILE  HG13    4.01                
 28 ILE  HA     28 ILE  QG1     3.73                
 28 ILE  HA     31 LEU  HN      4.29                
 28 ILE  HA     31 LEU  HB2     4.73                
 28 ILE  HA     31 LEU  HB3     4.73                
 28 ILE  HA     31 LEU  QB      4.02                
 28 ILE  HA     31 LEU  QD1     5.44                
 28 ILE  HA     31 LEU  QD2     5.44                
 28 ILE  HA     31 LEU  QQD     5.07                
 28 ILE  HA     33 ARG+ HN      5.47                
 28 ILE  QG2    29 ASN  HN      6.31                
 28 ILE  QG2    29 ASN  HA      6.28                
 28 ILE  HG21   28 ILE  QG1     3.28                
 29 ASN  HN     29 ASN  HB2     3.45                
 29 ASN  HN     29 ASN  HB3     3.45                
 29 ASN  HN     29 ASN  QB      3.06                
 29 ASN  HN     30 MET  HN      3.36                
 29 ASN  HA     32 THR  HN      4.17                
 29 ASN  HA     32 THR  QG2     6.53                
 30 MET  HN     30 MET  HB2     3.45                
 30 MET  HN     30 MET  HB3     3.45                
 30 MET  HN     30 MET  QB      3.20                
 30 MET  HN     30 MET  QG      6.38                
 30 MET  HN     30 MET  QE      6.53                
 30 MET  HB2    31 LEU  HN      4.54                
 30 MET  HB3    31 LEU  HN      4.54                
 30 MET  QB     31 LEU  HN      4.38                
 31 LEU  HN     31 LEU  QB      3.78                
 31 LEU  HN     31 LEU  QD1     6.53                
 31 LEU  HN     31 LEU  QD2     6.53                
 31 LEU  HN     32 THR  HN      3.45                
 31 LEU  HN     32 THR  QG2     6.53                
 31 LEU  HA     32 THR  HN      3.27                
 31 LEU  QD1    32 THR  HN      6.53                
 31 LEU  QD1    33 ARG+ HB2     5.99                
 31 LEU  QD1    33 ARG+ HB3     5.99                
 31 LEU  QD2    32 THR  HN      6.53                
 31 LEU  QD2    33 ARG+ HB2     5.99                
 31 LEU  QD2    33 ARG+ HB3     5.99                
 31 LEU  QQD    33 ARG+ QB      4.80                
 32 THR  HN     32 THR  HB      3.61                
 32 THR  HN     33 ARG+ HN      3.30                
 32 THR  HA     33 ARG+ HN      3.11                
 32 THR  HB     33 ARG+ HN      4.07                
 32 THR  QG2    33 ARG+ HN      6.53                
 33 ARG+ HN     33 ARG+ HB2     3.80                
 33 ARG+ HN     33 ARG+ HB3     3.80                
 33 ARG+ HN     33 ARG+ QB      3.27                
 33 ARG+ HN     34 PRO  HD2     5.50                
 33 ARG+ HN     34 PRO  HD3     5.50                
 33 ARG+ HA     33 ARG+ QD      6.38                
 33 ARG+ HA     34 PRO  HD2     3.67                
 33 ARG+ HA     34 PRO  HD3     3.67                
 33 ARG+ QB     34 PRO  QD      5.80                
 34 PRO  HA     35 ARG+ HN      3.05                
 35 ARG+ HN     35 ARG+ QG      6.38                
 35 ARG+ HA     35 ARG+ QD      6.38                
 35 ARG+ HA     36 TYR  HN      3.52                
 36 TYR  HN     36 TYR  QB      3.84                





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1   9.179  -1.015   2.812
    2   2H    ALA   1          2H        ALA   1   9.218  -2.580   2.305
    3   3H    ALA   1          3H        ALA   1   9.193  -2.242   3.915
    4    HA   ALA   1           HA       ALA   1  11.384  -2.611   3.762
    5   1HB   ALA   1          1HB       ALA   1  11.306  -3.375   1.466
    6   2HB   ALA   1          2HB       ALA   1  11.183  -1.707   0.863
    7   3HB   ALA   1          3HB       ALA   1  12.667  -2.258   1.672
    8    HA   PRO   2           HA       PRO   2  11.686   1.860   4.745
    9   1HB   PRO   2          1HB       PRO   2  12.594   1.558   7.323
   10   2HB   PRO   2          2HB       PRO   2  10.874   1.510   6.859
   11   1HG   PRO   2          1HG       PRO   2  12.663  -0.775   7.572
   12   2HG   PRO   2          2HG       PRO   2  10.904  -0.570   7.840
   13   1HD   PRO   2          1HD       PRO   2  12.157  -2.019   5.745
   14   2HD   PRO   2          2HD       PRO   2  10.429  -1.561   5.830
   15    H    LEU   3           H        LEU   3  13.618   3.124   5.299
   16    HA   LEU   3           HA       LEU   3  16.213   1.948   5.569
   17   1HB   LEU   3          1HB       LEU   3  15.295   1.901   2.923
   18   2HB   LEU   3          2HB       LEU   3  16.127   3.428   2.968
   19    HG   LEU   3           HG       LEU   3  17.614   1.777   2.164
   20   1HD1  LEU   3          1HD1      LEU   3  18.628   2.013   5.001
   21   2HD1  LEU   3          2HD1      LEU   3  19.498   2.147   3.456
   22   3HD1  LEU   3          3HD1      LEU   3  18.446   3.462   3.986
   23   1HD2  LEU   3          1HD2      LEU   3  18.253  -0.260   3.385
   24   2HD2  LEU   3          2HD2      LEU   3  17.083   0.119   4.666
   25   3HD2  LEU   3          3HD2      LEU   3  16.515  -0.236   3.034
   26    H    GLU   4           H        GLU   4  16.976   3.387   6.993
   27    HA   GLU   4           HA       GLU   4  17.136   5.296   8.273
   28   1HB   GLU   4          1HB       GLU   4  18.280   6.176   5.609
   29   2HB   GLU   4          2HB       GLU   4  18.417   7.090   7.117
   30   1HG   GLU   4          1HG       GLU   4  19.347   4.796   8.072
   31   2HG   GLU   4          2HG       GLU   4  19.726   4.481   6.382
   32    HA   PRO   5           HA       PRO   5  13.299   7.427   6.921
   33   1HB   PRO   5          1HB       PRO   5  11.911   7.317   9.294
   34   2HB   PRO   5          2HB       PRO   5  11.904   6.010   8.076
   35   1HG   PRO   5          1HG       PRO   5  13.423   6.166  10.663
   36   2HG   PRO   5          2HG       PRO   5  12.715   4.738   9.851
   37   1HD   PRO   5          1HD       PRO   5  15.417   5.534   9.778
   38   2HD   PRO   5          2HD       PRO   5  14.653   4.387   8.637
   39    H    GLU   6           H        GLU   6  12.628   9.537   7.364
   40    HA   GLU   6           HA       GLU   6  13.829  11.077   9.544
   41   1HB   GLU   6          1HB       GLU   6  15.418  11.099   7.527
   42   2HB   GLU   6          2HB       GLU   6  14.190  11.975   6.633
   43   1HG   GLU   6          1HG       GLU   6  14.744  13.120   9.332
   44   2HG   GLU   6          2HG       GLU   6  16.190  12.973   8.356
   45    H    TYR   7           H        TYR   7  12.117  12.141  10.344
   46    HA   TYR   7           HA       TYR   7   9.503  12.249   9.481
   47   1HB   TYR   7          1HB       TYR   7  11.182  13.629  11.466
   48   2HB   TYR   7          2HB       TYR   7   9.878  14.634  10.891
   49    HD1  TYR   7           HD1      TYR   7   8.268  14.774  12.518
   50    HD2  TYR   7           HD2      TYR   7   9.978  10.915  11.597
   51    HE1  TYR   7           HE1      TYR   7   6.704  13.694  14.125
   52    HE2  TYR   7           HE2      TYR   7   8.380   9.843  13.186
   53    HH   TYR   7           HH       TYR   7   6.763  11.435  15.540
   54    HA   PRO   8           HA       PRO   8  10.363  15.131   6.071
   55   1HB   PRO   8          1HB       PRO   8   8.565  14.229   4.240
   56   2HB   PRO   8          2HB       PRO   8  10.097  13.382   4.575
   57   1HG   PRO   8          1HG       PRO   8   7.341  12.689   5.472
   58   2HG   PRO   8          2HG       PRO   8   8.694  11.591   5.070
   59   1HD   PRO   8          1HD       PRO   8   7.842  12.475   7.655
   60   2HD   PRO   8          2HD       PRO   8   9.310  11.562   7.281
   61    H    GLY   9           H        GLY   9   8.889  16.695   4.905
   62   1HA   GLY   9          1HA       GLY   9   7.850  18.514   6.587
   63   2HA   GLY   9          2HA       GLY   9   7.304  18.388   4.918
   64    H    ASP  10           H        ASP  10   5.446  16.906   4.496
   65    HA   ASP  10           HA       ASP  10   3.586  16.411   6.717
   66   1HB   ASP  10          1HB       ASP  10   1.849  17.809   5.455
   67   2HB   ASP  10          2HB       ASP  10   3.061  18.626   6.410
   68    H    ASN  11           H        ASN  11   4.569  14.370   5.602
   69    HA   ASN  11           HA       ASN  11   2.377  13.101   4.142
   70   1HB   ASN  11          1HB       ASN  11   3.868  12.330   2.306
   71   2HB   ASN  11          2HB       ASN  11   3.542  14.059   2.279
   72   1HD2  ASN  11          1HD2      ASN  11   5.804  12.560   0.957
   73   2HD2  ASN  11          2HD2      ASN  11   7.192  13.393   1.652
   74    H    ALA  12           H        ALA  12   2.080  11.269   5.372
   75    HA   ALA  12           HA       ALA  12   4.013  10.083   7.073
   76   1HB   ALA  12          1HB       ALA  12   2.034   9.114   7.575
   77   2HB   ALA  12          2HB       ALA  12   1.381   9.298   5.927
   78   3HB   ALA  12          3HB       ALA  12   2.461   7.948   6.314
   79    H    THR  13           H        THR  13   5.611   8.725   6.792
   80    HA   THR  13           HA       THR  13   7.226   8.670   4.641
   81    HB   THR  13           HB       THR  13   8.258   6.590   5.555
   82    HG1  THR  13           HG1      THR  13   6.002   6.626   7.293
   83   1HG2  THR  13          1HG2      THR  13   8.741   8.805   6.621
   84   2HG2  THR  13          2HG2      THR  13   7.452   8.473   7.806
   85   3HG2  THR  13          3HG2      THR  13   8.873   7.416   7.717
   86    HA   PRO  14           HA       PRO  14   5.430   6.263   1.489
   87   1HB   PRO  14          1HB       PRO  14   7.590   5.316   0.040
   88   2HB   PRO  14          2HB       PRO  14   6.970   6.989   0.002
   89   1HG   PRO  14          1HG       PRO  14   9.376   5.918   1.431
   90   2HG   PRO  14          2HG       PRO  14   9.115   7.529   0.701
   91   1HD   PRO  14          1HD       PRO  14   8.916   6.901   3.428
   92   2HD   PRO  14          2HD       PRO  14   8.220   8.355   2.657
   93    H    GLU  15           H        GLU  15   7.309   4.701   3.887
   94    HA   GLU  15           HA       GLU  15   6.717   1.955   3.094
   95   1HB   GLU  15          1HB       GLU  15   7.594   1.351   5.277
   96   2HB   GLU  15          2HB       GLU  15   8.698   2.452   4.453
   97   1HG   GLU  15          1HG       GLU  15   8.087   4.285   5.808
   98   2HG   GLU  15          2HG       GLU  15   6.675   3.464   6.488
   99    H    GLN  16           H        GLN  16   4.866   4.514   4.598
  100    HA   GLN  16           HA       GLN  16   3.210   2.747   6.184
  101   1HB   GLN  16          1HB       GLN  16   3.780   5.359   6.349
  102   2HB   GLN  16          2HB       GLN  16   2.338   5.535   5.381
  103   1HG   GLN  16          1HG       GLN  16   0.976   5.144   7.131
  104   2HG   GLN  16          2HG       GLN  16   1.806   3.660   7.568
  105   1HE2  GLN  16          1HE2      GLN  16   0.782   5.121   9.659
  106   2HE2  GLN  16          2HE2      GLN  16   2.143   5.916  10.457
  107    H    MET  17           H        MET  17   2.582   4.690   3.243
  108    HA   MET  17           HA       MET  17   0.085   3.400   2.605
  109   1HB   MET  17          1HB       MET  17   1.670   5.581   1.592
  110   2HB   MET  17          2HB       MET  17   1.351   4.504   0.235
  111   1HG   MET  17          1HG       MET  17  -0.884   5.283   2.124
  112   2HG   MET  17          2HG       MET  17  -0.350   6.405   0.881
  113   1HE   MET  17          1HE       MET  17  -3.853   4.753  -0.102
  114   2HE   MET  17          2HE       MET  17  -3.274   3.927   1.362
  115   3HE   MET  17          3HE       MET  17  -3.119   5.694   1.220
  116    H    ALA  18           H        ALA  18   3.416   2.458   1.999
  117    HA   ALA  18           HA       ALA  18   3.061   0.619  -0.097
  118   1HB   ALA  18          1HB       ALA  18   5.252   1.250   0.772
  119   2HB   ALA  18          2HB       ALA  18   4.892   0.475   2.332
  120   3HB   ALA  18          3HB       ALA  18   5.055  -0.507   0.870
  121    H    GLN  19           H        GLN  19   2.319   0.227   3.381
  122    HA   GLN  19           HA       GLN  19   1.661  -2.569   3.298
  123   1HB   GLN  19          1HB       GLN  19   1.604  -0.364   5.208
  124   2HB   GLN  19          2HB       GLN  19   0.095  -1.248   5.312
  125   1HG   GLN  19          1HG       GLN  19   2.633  -2.878   5.247
  126   2HG   GLN  19          2HG       GLN  19   2.336  -1.899   6.676
  127   1HE2  GLN  19          1HE2      GLN  19   0.948  -2.727   8.271
  128   2HE2  GLN  19          2HE2      GLN  19  -0.060  -4.137   7.942
  129    H    TYR  20           H        TYR  20  -0.489   0.307   3.196
  130    HA   TYR  20           HA       TYR  20  -2.907  -1.060   2.609
  131   1HB   TYR  20          1HB       TYR  20  -1.872   1.749   2.307
  132   2HB   TYR  20          2HB       TYR  20  -3.311   1.324   1.408
  133    HD1  TYR  20           HD1      TYR  20  -5.275   0.223   2.630
  134    HD2  TYR  20           HD2      TYR  20  -2.097   2.340   4.641
  135    HE1  TYR  20           HE1      TYR  20  -6.794   0.670   4.547
  136    HE2  TYR  20           HE2      TYR  20  -3.637   2.806   6.558
  137    HH   TYR  20           HH       TYR  20  -7.042   1.755   6.503
  138    H    ALA  21           H        ALA  21  -0.496   0.323   0.316
  139    HA   ALA  21           HA       ALA  21  -1.871  -0.334  -2.076
  140   1HB   ALA  21          1HB       ALA  21   0.390  -0.149  -3.100
  141   2HB   ALA  21          2HB       ALA  21   0.056   1.177  -1.964
  142   3HB   ALA  21          3HB       ALA  21   1.115  -0.162  -1.475
  143    H    ALA  22           H        ALA  22   0.465  -2.310  -0.150
  144    HA   ALA  22           HA       ALA  22   0.239  -4.642  -1.815
  145   1HB   ALA  22          1HB       ALA  22   1.917  -5.260  -0.484
  146   2HB   ALA  22          2HB       ALA  22   1.614  -3.918   0.630
  147   3HB   ALA  22          3HB       ALA  22   0.780  -5.453   0.864
  148    H    GLU  23           H        GLU  23  -1.606  -3.631   1.116
  149    HA   GLU  23           HA       GLU  23  -3.321  -5.821   1.408
  150   1HB   GLU  23          1HB       GLU  23  -3.108  -3.714   2.849
  151   2HB   GLU  23          2HB       GLU  23  -4.223  -2.954   1.720
  152   1HG   GLU  23          1HG       GLU  23  -5.712  -3.671   3.285
  153   2HG   GLU  23          2HG       GLU  23  -5.747  -5.058   2.207
  154    H    LEU  24           H        LEU  24  -3.786  -2.968  -0.732
  155    HA   LEU  24           HA       LEU  24  -6.234  -3.798  -1.902
  156   1HB   LEU  24          1HB       LEU  24  -5.265  -1.525  -2.075
  157   2HB   LEU  24          2HB       LEU  24  -4.012  -2.136  -3.147
  158    HG   LEU  24           HG       LEU  24  -6.583  -3.034  -4.175
  159   1HD1  LEU  24          1HD1      LEU  24  -7.387  -1.049  -2.778
  160   2HD1  LEU  24          2HD1      LEU  24  -6.600  -0.045  -4.029
  161   3HD1  LEU  24          3HD1      LEU  24  -7.865  -1.227  -4.462
  162   1HD2  LEU  24          1HD2      LEU  24  -4.658  -2.770  -5.590
  163   2HD2  LEU  24          2HD2      LEU  24  -5.919  -1.657  -6.146
  164   3HD2  LEU  24          3HD2      LEU  24  -4.541  -1.040  -5.210
  165    H    ARG  25           H        ARG  25  -2.877  -4.471  -3.032
  166    HA   ARG  25           HA       ARG  25  -3.542  -5.995  -5.350
  167   1HB   ARG  25          1HB       ARG  25  -1.285  -5.478  -5.063
  168   2HB   ARG  25          2HB       ARG  25  -1.201  -6.089  -3.427
  169   1HG   ARG  25          1HG       ARG  25  -1.785  -8.027  -5.673
  170   2HG   ARG  25          2HG       ARG  25  -0.149  -7.431  -5.439
  171   1HD   ARG  25          1HD       ARG  25   0.012  -8.331  -3.212
  172   2HD   ARG  25          2HD       ARG  25  -1.700  -8.675  -3.136
  173    HE   ARG  25           HNE      ARG  25  -1.426 -10.630  -4.279
  174   1HH1  ARG  25          2HH2      ARG  25   1.484  -8.800  -4.723
  175   2HH1  ARG  25          1HH2      ARG  25   2.312 -10.058  -5.605
  176   1HH2  ARG  25          2HH1      ARG  25  -0.308 -12.320  -5.284
  177   2HH2  ARG  25          1HH1      ARG  25   1.272 -12.017  -5.936
  178    H    ARG  26           H        ARG  26  -3.693  -6.952  -1.962
  179    HA   ARG  26           HA       ARG  26  -4.250  -9.771  -2.536
  180   1HB   ARG  26          1HB       ARG  26  -5.184  -8.552   0.050
  181   2HB   ARG  26          2HB       ARG  26  -4.428 -10.117  -0.270
  182   1HG   ARG  26          1HG       ARG  26  -2.287  -8.649  -0.804
  183   2HG   ARG  26          2HG       ARG  26  -3.217  -7.392  -0.001
  184   1HD   ARG  26          1HD       ARG  26  -2.240  -8.042   1.865
  185   2HD   ARG  26          2HD       ARG  26  -3.437  -9.350   1.858
  186    HE   ARG  26           HNE      ARG  26  -1.018  -9.861   0.278
  187   1HH1  ARG  26          2HH2      ARG  26  -2.297 -10.136   3.524
  188   2HH1  ARG  26          1HH2      ARG  26  -1.138 -11.351   3.993
  189   1HH2  ARG  26          2HH1      ARG  26   0.457 -11.400   0.899
  190   2HH2  ARG  26          1HH1      ARG  26   0.420 -12.040   2.510
  191    H    TYR  27           H        TYR  27  -6.208  -6.943  -1.689
  192    HA   TYR  27           HA       TYR  27  -8.777  -7.964  -1.675
  193   1HB   TYR  27          1HB       TYR  27  -7.829  -5.490  -1.509
  194   2HB   TYR  27          2HB       TYR  27  -8.273  -5.418  -3.207
  195    HD1  TYR  27           HD1      TYR  27 -10.739  -6.034  -3.847
  196    HD2  TYR  27           HD2      TYR  27  -9.424  -5.172   0.174
  197    HE1  TYR  27           HE1      TYR  27 -13.078  -5.543  -3.190
  198    HE2  TYR  27           HE2      TYR  27 -11.781  -4.678   0.831
  199    HH   TYR  27           HH       TYR  27 -14.496  -5.078  -1.424
  200    H    ILE  28           H        ILE  28  -6.886  -7.110  -4.590
  201    HA   ILE  28           HA       ILE  28  -8.816  -7.656  -6.568
  202    HB   ILE  28           HB       ILE  28  -5.817  -8.120  -6.665
  203   1HG1  ILE  28          1HG1      ILE  28  -5.858  -5.919  -6.189
  204   2HG1  ILE  28          2HG1      ILE  28  -5.941  -5.829  -7.926
  205   1HG2  ILE  28          1HG2      ILE  28  -6.499  -7.482  -9.260
  206   2HG2  ILE  28          2HG2      ILE  28  -6.119  -9.080  -8.620
  207   3HG2  ILE  28          3HG2      ILE  28  -7.790  -8.583  -8.760
  208   1HD1  ILE  28          1HD1      ILE  28  -8.175  -5.351  -5.911
  209   2HD1  ILE  28          2HD1      ILE  28  -7.492  -4.240  -7.096
  210   3HD1  ILE  28          3HD1      ILE  28  -8.508  -5.609  -7.624
  211    H    ASN  29           H        ASN  29  -6.562  -9.995  -5.100
  212    HA   ASN  29           HA       ASN  29  -7.505 -12.268  -6.590
  213   1HB   ASN  29          1HB       ASN  29  -5.334 -11.944  -5.204
  214   2HB   ASN  29          2HB       ASN  29  -6.314 -12.330  -3.784
  215   1HD2  ASN  29          1HD2      ASN  29  -4.555 -14.123  -3.738
  216   2HD2  ASN  29          2HD2      ASN  29  -5.000 -15.553  -4.683
  217    H    MET  30           H        MET  30  -8.407 -10.911  -3.408
  218    HA   MET  30           HA       MET  30 -10.573 -12.766  -2.897
  219   1HB   MET  30          1HB       MET  30  -9.671 -10.137  -1.672
  220   2HB   MET  30          2HB       MET  30 -11.179 -10.900  -1.184
  221   1HG   MET  30          1HG       MET  30  -9.940 -11.978   0.323
  222   2HG   MET  30          2HG       MET  30  -9.574 -13.065  -1.000
  223   1HE   MET  30          1HE       MET  30  -8.807  -9.919   0.760
  224   2HE   MET  30          2HE       MET  30  -7.271 -10.363   1.543
  225   3HE   MET  30          3HE       MET  30  -7.272  -9.396   0.057
  226    H    LEU  31           H        LEU  31 -10.496 -10.063  -4.972
  227    HA   LEU  31           HA       LEU  31 -13.466  -9.874  -5.158
  228   1HB   LEU  31          1HB       LEU  31 -12.636  -7.738  -4.912
  229   2HB   LEU  31          2HB       LEU  31 -11.119  -8.121  -5.699
  230    HG   LEU  31           HG       LEU  31 -12.177  -8.026  -7.896
  231   1HD1  LEU  31          1HD1      LEU  31 -14.352  -7.794  -8.237
  232   2HD1  LEU  31          2HD1      LEU  31 -14.649  -7.876  -6.497
  233   3HD1  LEU  31          3HD1      LEU  31 -14.407  -6.302  -7.288
  234   1HD2  LEU  31          1HD2      LEU  31 -12.030  -5.644  -8.036
  235   2HD2  LEU  31          2HD2      LEU  31 -12.426  -5.446  -6.307
  236   3HD2  LEU  31          3HD2      LEU  31 -10.883  -6.166  -6.804
  237    H    THR  32           H        THR  32 -10.908 -11.554  -6.564
  238    HA   THR  32           HA       THR  32 -10.571 -12.728  -8.465
  239    HB   THR  32           HB       THR  32 -13.606 -12.720  -8.691
  240    HG1  THR  32           HG1      THR  32 -11.737 -14.093  -7.120
  241   1HG2  THR  32          1HG2      THR  32 -11.466 -14.436  -9.962
  242   2HG2  THR  32          2HG2      THR  32 -13.032 -15.148  -9.512
  243   3HG2  THR  32          3HG2      THR  32 -12.980 -13.800 -10.653
  244    H    ARG  33           H        ARG  33 -10.824  -9.700  -8.566
  245    HA   ARG  33           HA       ARG  33 -10.429  -9.338 -11.413
  246   1HB   ARG  33          1HB       ARG  33 -13.055  -8.669 -10.159
  247   2HB   ARG  33          2HB       ARG  33 -12.302  -7.294 -10.961
  248   1HG   ARG  33          1HG       ARG  33 -11.931  -8.811 -12.985
  249   2HG   ARG  33          2HG       ARG  33 -12.988  -9.986 -12.203
  250   1HD   ARG  33          1HD       ARG  33 -14.841  -8.860 -12.777
  251   2HD   ARG  33          2HD       ARG  33 -14.205  -7.314 -12.192
  252    HE   ARG  33           HNE      ARG  33 -12.808  -7.664 -14.503
  253   1HH1  ARG  33          2HH2      ARG  33 -16.243  -7.790 -13.934
  254   2HH1  ARG  33          1HH2      ARG  33 -16.669  -7.300 -15.550
  255   1HH2  ARG  33          2HH1      ARG  33 -13.341  -6.974 -16.556
  256   2HH2  ARG  33          1HH1      ARG  33 -15.020  -6.896 -17.016
  257    HA   PRO  34           HA       PRO  34  -8.064  -5.956  -9.722
  258   1HB   PRO  34          1HB       PRO  34  -7.827  -4.268 -11.874
  259   2HB   PRO  34          2HB       PRO  34  -6.913  -5.787 -11.674
  260   1HG   PRO  34          1HG       PRO  34  -9.244  -5.208 -13.458
  261   2HG   PRO  34          2HG       PRO  34  -7.914  -6.387 -13.667
  262   1HD   PRO  34          1HD       PRO  34 -10.548  -6.903 -12.730
  263   2HD   PRO  34          2HD       PRO  34  -9.163  -8.035 -12.686
  264    H    ARG  35           H        ARG  35  -8.210  -3.814  -8.971
  265    HA   ARG  35           HA       ARG  35 -10.932  -2.597  -9.010
  266   1HB   ARG  35          1HB       ARG  35  -9.921  -3.309  -6.829
  267   2HB   ARG  35          2HB       ARG  35  -8.659  -2.095  -7.039
  268   1HG   ARG  35          1HG       ARG  35 -11.435  -1.047  -7.368
  269   2HG   ARG  35          2HG       ARG  35 -11.125  -1.733  -5.775
  270   1HD   ARG  35          1HD       ARG  35  -9.402  -0.210  -5.295
  271   2HD   ARG  35          2HD       ARG  35  -9.178   0.237  -6.996
  272    HE   ARG  35           HNE      ARG  35 -11.813   0.884  -6.006
  273   1HH1  ARG  35          2HH2      ARG  35  -8.537   2.066  -6.177
  274   2HH1  ARG  35          1HH2      ARG  35  -8.933   3.708  -5.764
  275   1HH2  ARG  35          2HH1      ARG  35 -12.371   3.039  -5.683
  276   2HH2  ARG  35          1HH1      ARG  35 -11.125   4.254  -5.636
  277    H    TYR  36           H        TYR  36  -7.637  -1.908  -9.865
  278    HA   TYR  36           HA       TYR  36  -6.601  -0.214 -10.944
  279   1HB   TYR  36          1HB       TYR  36  -9.271  -0.469 -12.172
  280   2HB   TYR  36          2HB       TYR  36  -8.574   1.095 -12.437
  281    HD1  TYR  36           HD1      TYR  36  -7.009  -2.349 -12.319
  282    HD2  TYR  36           HD2      TYR  36  -7.830   1.185 -14.640
  283    HE1  TYR  36           HE1      TYR  36  -5.817  -3.355 -14.254
  284    HE2  TYR  36           HE2      TYR  36  -6.590   0.197 -16.562
  285    HH   TYR  36           HH       TYR  36  -5.243  -3.097 -16.446
  286   1HN   NH2  37          1HN       NH2  37  -7.122   2.383 -11.646
  287   2HN   NH2  37          2HN       NH2  37  -7.247   3.301 -10.136
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1 -12.865   0.866  18.492
    2   2H    ALA   1          2H        ALA   1 -13.512  -0.640  18.327
    3   3H    ALA   1          3H        ALA   1 -12.954  -0.150  19.788
    4    HA   ALA   1           HA       ALA   1 -11.195  -0.326  17.437
    5   1HB   ALA   1          1HB       ALA   1  -9.426  -0.547  19.217
    6   2HB   ALA   1          2HB       ALA   1 -10.259   1.018  19.191
    7   3HB   ALA   1          3HB       ALA   1 -10.675  -0.188  20.427
    8    HA   PRO   2           HA       PRO   2 -12.267  -4.703  18.068
    9   1HB   PRO   2          1HB       PRO   2 -12.314  -5.425  15.406
   10   2HB   PRO   2          2HB       PRO   2 -13.702  -4.746  16.296
   11   1HG   PRO   2          1HG       PRO   2 -11.923  -3.397  14.305
   12   2HG   PRO   2          2HG       PRO   2 -13.635  -3.080  14.703
   13   1HD   PRO   2          1HD       PRO   2 -11.370  -1.633  15.621
   14   2HD   PRO   2          2HD       PRO   2 -13.041  -1.490  16.233
   15    H    LEU   3           H        LEU   3 -10.054  -3.758  15.376
   16    HA   LEU   3           HA       LEU   3  -7.688  -4.778  16.643
   17   1HB   LEU   3          1HB       LEU   3  -9.385  -6.697  15.301
   18   2HB   LEU   3          2HB       LEU   3  -7.953  -6.551  14.329
   19   1HD1  LEU   3          1HD1      LEU   3  -9.190  -8.541  16.955
   20   2HD1  LEU   3          2HD1      LEU   3  -8.434  -9.049  15.428
   21   3HD1  LEU   3          3HD1      LEU   3  -7.604  -9.334  16.982
   22   1HD2  LEU   3          1HD2      LEU   3  -6.041  -8.162  15.082
   23   2HD2  LEU   3          2HD2      LEU   3  -5.712  -6.483  15.554
   24   3HD2  LEU   3          3HD2      LEU   3  -5.525  -7.788  16.742
   25   1HG   LEU   3          1HG       LEU   3  -7.590  -6.827  17.317
   26    H    GLU   4           H        GLU   4  -7.606  -2.455  16.015
   27    HA   GLU   4           HA       GLU   4  -6.871  -0.719  14.783
   28   1HB   GLU   4          1HB       GLU   4  -4.902  -2.534  14.834
   29   2HB   GLU   4          2HB       GLU   4  -5.104  -2.456  13.098
   30   1HG   GLU   4          1HG       GLU   4  -3.522  -0.790  13.494
   31   2HG   GLU   4          2HG       GLU   4  -5.006   0.167  13.468
   32    HA   PRO   5           HA       PRO   5  -9.726  -1.544  11.268
   33   1HB   PRO   5          1HB       PRO   5 -11.362   0.666  11.572
   34   2HB   PRO   5          2HB       PRO   5 -11.593  -0.889  12.420
   35   1HG   PRO   5          1HG       PRO   5 -10.440   1.674  13.467
   36   2HG   PRO   5          2HG       PRO   5 -11.398   0.433  14.324
   37   1HD   PRO   5          1HD       PRO   5  -8.595   0.735  14.398
   38   2HD   PRO   5          2HD       PRO   5  -9.480  -0.734  14.899
   39    H    GLU   6           H        GLU   6 -10.074  -0.409   9.266
   40    HA   GLU   6           HA       GLU   6  -7.903   1.486   8.610
   41   1HB   GLU   6          1HB       GLU   6  -8.299   0.865   6.316
   42   2HB   GLU   6          2HB       GLU   6  -8.119  -0.557   7.310
   43   1HG   GLU   6          1HG       GLU   6  -9.833  -1.184   5.929
   44   2HG   GLU   6          2HG       GLU   6 -10.722  -0.656   7.349
   45    H    TYR   7           H        TYR   7  -8.480   3.283   7.024
   46    HA   TYR   7           HA       TYR   7 -11.145   4.410   7.361
   47   1HB   TYR   7          1HB       TYR   7  -9.074   5.169   9.179
   48   2HB   TYR   7          2HB       TYR   7  -9.143   6.463   8.008
   49    HD1  TYR   7           HD1      TYR   7 -11.722   4.302   9.750
   50    HD2  TYR   7           HD2      TYR   7 -10.382   8.300   8.827
   51    HE1  TYR   7           HE1      TYR   7 -13.669   5.222  10.956
   52    HE2  TYR   7           HE2      TYR   7 -12.319   9.223  10.080
   53    HH   TYR   7           HH       TYR   7 -13.946   8.543  11.813
   54    HA   PRO   8           HA       PRO   8 -10.060   5.874   3.339
   55   1HB   PRO   8          1HB       PRO   8 -11.628   8.136   3.036
   56   2HB   PRO   8          2HB       PRO   8 -12.242   6.460   2.967
   57   1HG   PRO   8          1HG       PRO   8 -12.448   8.448   5.204
   58   2HG   PRO   8          2HG       PRO   8 -13.592   7.156   4.724
   59   1HD   PRO   8          1HD       PRO   8 -11.717   7.058   6.813
   60   2HD   PRO   8          2HD       PRO   8 -12.555   5.643   6.116
   61    H    GLY   9           H        GLY   9  -8.872   7.424   2.190
   62   1HA   GLY   9          1HA       GLY   9  -7.950   9.856   2.321
   63   2HA   GLY   9          2HA       GLY   9  -7.222   9.289   3.829
   64    H    ASP  10           H        ASP  10  -6.176  10.092   1.007
   65    HA   ASP  10           HA       ASP  10  -4.095   7.997   0.876
   66   1HB   ASP  10          1HB       ASP  10  -5.867   7.434  -0.822
   67   2HB   ASP  10          2HB       ASP  10  -5.534   8.969  -1.619
   68    H    ASN  11           H        ASN  11  -2.756   9.454   1.848
   69    HA   ASN  11           HA       ASN  11  -1.189  11.132   0.248
   70   1HB   ASN  11          1HB       ASN  11  -3.517  12.526   1.387
   71   2HB   ASN  11          2HB       ASN  11  -2.034  13.197   2.037
   72   1HD2  ASN  11          1HD2      ASN  11  -3.027  15.105   0.852
   73   2HD2  ASN  11          2HD2      ASN  11  -2.453  15.251  -0.822
   74    H    ALA  12           H        ALA  12   0.449   9.948   1.185
   75    HA   ALA  12           HA       ALA  12   1.534  11.046   3.582
   76   1HB   ALA  12          1HB       ALA  12   0.219   8.323   3.710
   77   2HB   ALA  12          2HB       ALA  12   1.708   8.594   4.636
   78   3HB   ALA  12          3HB       ALA  12   0.294   9.612   4.926
   79    H    THR  13           H        THR  13   3.567   9.747   4.131
   80    HA   THR  13           HA       THR  13   5.442   9.767   2.090
   81    HB   THR  13           HB       THR  13   6.839   8.374   3.614
   82    HG1  THR  13           HG1      THR  13   4.834   8.361   5.520
   83   1HG2  THR  13          1HG2      THR  13   6.566  10.836   4.061
   84   2HG2  THR  13          2HG2      THR  13   5.263  10.450   5.206
   85   3HG2  THR  13          3HG2      THR  13   6.911   9.866   5.505
   86    HA   PRO  14           HA       PRO  14   4.724   6.130  -0.269
   87   1HB   PRO  14          1HB       PRO  14   7.222   5.547  -1.295
   88   2HB   PRO  14          2HB       PRO  14   6.175   6.885  -1.843
   89   1HG   PRO  14          1HG       PRO  14   8.583   7.001  -0.057
   90   2HG   PRO  14          2HG       PRO  14   7.994   8.199  -1.249
   91   1HD   PRO  14          1HD       PRO  14   7.614   8.313   1.527
   92   2HD   PRO  14          2HD       PRO  14   6.660   9.222   0.320
   93    H    GLU  15           H        GLU  15   6.658   5.980   2.556
   94    HA   GLU  15           HA       GLU  15   6.925   3.063   2.598
   95   1HB   GLU  15          1HB       GLU  15   7.834   3.336   4.791
   96   2HB   GLU  15          2HB       GLU  15   8.606   4.489   3.711
   97   1HG   GLU  15          1HG       GLU  15   7.660   6.338   4.745
   98   2HG   GLU  15          2HG       GLU  15   6.254   5.460   5.325
   99    H    GLN  16           H        GLN  16   4.443   5.398   3.463
  100    HA   GLN  16           HA       GLN  16   3.139   3.574   5.364
  101   1HB   GLN  16          1HB       GLN  16   3.196   6.137   5.530
  102   2HB   GLN  16          2HB       GLN  16   2.048   6.164   4.198
  103   1HG   GLN  16          1HG       GLN  16   0.389   5.946   5.713
  104   2HG   GLN  16          2HG       GLN  16   0.938   4.305   6.037
  105   1HE2  GLN  16          1HE2      GLN  16   0.399   7.370   7.499
  106   2HE2  GLN  16          2HE2      GLN  16   1.431   7.063   8.908
  107    H    MET  17           H        MET  17   2.361   5.014   2.154
  108    HA   MET  17           HA       MET  17  -0.027   3.514   1.803
  109   1HB   MET  17          1HB       MET  17   1.137   5.605   0.480
  110   2HB   MET  17          2HB       MET  17   1.462   4.313  -0.671
  111   1HG   MET  17          1HG       MET  17  -1.321   4.355   0.417
  112   2HG   MET  17          2HG       MET  17  -0.873   5.796  -0.459
  113   1HE   MET  17          1HE       MET  17  -1.756   5.506  -3.513
  114   2HE   MET  17          2HE       MET  17  -0.437   6.163  -2.533
  115   3HE   MET  17          3HE       MET  17  -0.074   5.005  -3.832
  116    H    ALA  18           H        ALA  18   3.264   2.524   1.394
  117    HA   ALA  18           HA       ALA  18   3.063   0.244  -0.243
  118   1HB   ALA  18          1HB       ALA  18   4.720   0.784   2.259
  119   2HB   ALA  18          2HB       ALA  18   5.012  -0.542   1.121
  120   3HB   ALA  18          3HB       ALA  18   5.179   1.141   0.582
  121    H    GLN  19           H        GLN  19   1.921   0.700   3.107
  122    HA   GLN  19           HA       GLN  19   1.401  -2.101   3.636
  123   1HB   GLN  19          1HB       GLN  19   1.335   0.403   5.041
  124   2HB   GLN  19          2HB       GLN  19  -0.268  -0.261   5.183
  125   1HG   GLN  19          1HG       GLN  19   2.178  -1.990   5.729
  126   2HG   GLN  19          2HG       GLN  19   1.677  -0.782   6.905
  127   1HE2  GLN  19          1HE2      GLN  19   1.708  -3.607   7.530
  128   2HE2  GLN  19          2HE2      GLN  19  -0.011  -3.954   7.804
  129    H    TYR  20           H        TYR  20  -0.778   0.643   2.864
  130    HA   TYR  20           HA       TYR  20  -3.152  -0.840   2.430
  131   1HB   TYR  20          1HB       TYR  20  -2.134   1.860   1.596
  132   2HB   TYR  20          2HB       TYR  20  -3.468   1.206   0.670
  133    HD1  TYR  20           HD1      TYR  20  -2.615   2.959   3.663
  134    HD2  TYR  20           HD2      TYR  20  -5.548   0.317   1.914
  135    HE1  TYR  20           HE1      TYR  20  -4.258   3.633   5.396
  136    HE2  TYR  20           HE2      TYR  20  -7.198   0.994   3.675
  137    HH   TYR  20           HH       TYR  20  -6.358   3.409   6.154
  138    H    ALA  21           H        ALA  21  -0.667   0.140   0.014
  139    HA   ALA  21           HA       ALA  21  -1.848  -0.994  -2.261
  140   1HB   ALA  21          1HB       ALA  21   0.378  -0.867  -3.221
  141   2HB   ALA  21          2HB       ALA  21   0.140   0.539  -2.164
  142   3HB   ALA  21          3HB       ALA  21   1.125  -0.833  -1.608
  143    H    ALA  22           H        ALA  22   0.232  -2.568   0.217
  144    HA   ALA  22           HA       ALA  22   0.414  -5.106  -1.038
  145   1HB   ALA  22          1HB       ALA  22   1.294  -5.886   0.964
  146   2HB   ALA  22          2HB       ALA  22   1.674  -4.161   1.064
  147   3HB   ALA  22          3HB       ALA  22   0.301  -4.820   1.973
  148    H    GLU  23           H        GLU  23  -1.847  -4.108   1.629
  149    HA   GLU  23           HA       GLU  23  -3.481  -6.414   1.547
  150   1HB   GLU  23          1HB       GLU  23  -3.583  -4.698   3.339
  151   2HB   GLU  23          2HB       GLU  23  -4.426  -3.630   2.222
  152   1HG   GLU  23          1HG       GLU  23  -6.379  -4.567   2.844
  153   2HG   GLU  23          2HG       GLU  23  -5.890  -6.047   2.052
  154    H    LEU  24           H        LEU  24  -3.911  -3.342  -0.296
  155    HA   LEU  24           HA       LEU  24  -6.201  -3.997  -1.774
  156   1HB   LEU  24          1HB       LEU  24  -5.540  -1.813  -1.924
  157   2HB   LEU  24          2HB       LEU  24  -3.853  -2.184  -2.198
  158   1HD1  LEU  24          1HD1      LEU  24  -6.897  -1.184  -4.039
  159   2HD1  LEU  24          2HD1      LEU  24  -5.476  -0.162  -3.720
  160   3HD1  LEU  24          3HD1      LEU  24  -5.790  -0.773  -5.360
  161   1HD2  LEU  24          1HD2      LEU  24  -3.802  -2.202  -5.766
  162   2HD2  LEU  24          2HD2      LEU  24  -3.199  -1.202  -4.425
  163   3HD2  LEU  24          3HD2      LEU  24  -3.017  -2.959  -4.377
  164   1HG   LEU  24          1HG       LEU  24  -5.581  -3.089  -4.442
  165    H    ARG  25           H        ARG  25  -2.783  -4.738  -2.746
  166    HA   ARG  25           HA       ARG  25  -3.447  -6.043  -5.189
  167   1HB   ARG  25          1HB       ARG  25  -1.169  -5.555  -4.810
  168   2HB   ARG  25          2HB       ARG  25  -1.158  -6.314  -3.220
  169   1HG   ARG  25          1HG       ARG  25  -1.332  -8.539  -4.184
  170   2HG   ARG  25          2HG       ARG  25  -1.449  -7.867  -5.824
  171   1HD   ARG  25          1HD       ARG  25   0.814  -7.140  -5.782
  172   2HD   ARG  25          2HD       ARG  25   0.902  -7.258  -4.011
  173    HE   ARG  25           HNE      ARG  25   0.361  -9.801  -5.338
  174   1HH1  ARG  25          2HH2      ARG  25   2.955  -7.712  -4.324
  175   2HH1  ARG  25          1HH2      ARG  25   4.138  -8.981  -4.225
  176   1HH2  ARG  25          2HH1      ARG  25   1.865 -11.465  -5.178
  177   2HH2  ARG  25          1HH1      ARG  25   3.505 -11.093  -4.776
  178    H    ARG  26           H        ARG  26  -3.463  -7.313  -1.905
  179    HA   ARG  26           HA       ARG  26  -4.128 -10.057  -2.692
  180   1HB   ARG  26          1HB       ARG  26  -4.877  -9.162   0.060
  181   2HB   ARG  26          2HB       ARG  26  -4.055 -10.624  -0.483
  182   1HG   ARG  26          1HG       ARG  26  -2.031  -8.930  -0.939
  183   2HG   ARG  26          2HG       ARG  26  -3.005  -7.900   0.113
  184   1HD   ARG  26          1HD       ARG  26  -1.711  -8.742   1.710
  185   2HD   ARG  26          2HD       ARG  26  -2.945 -10.015   1.710
  186    HE   ARG  26           HNE      ARG  26  -0.740 -10.435  -0.174
  187   1HH1  ARG  26          2HH2      ARG  26  -1.601 -10.910   3.158
  188   2HH1  ARG  26          1HH2      ARG  26  -0.455 -12.212   3.407
  189   1HH2  ARG  26          2HH1      ARG  26   0.774 -12.062   0.166
  190   2HH2  ARG  26          1HH1      ARG  26   0.820 -12.872   1.704
  191    H    TYR  27           H        TYR  27  -5.944  -7.296  -1.434
  192    HA   TYR  27           HA       TYR  27  -8.533  -8.336  -1.348
  193   1HB   TYR  27          1HB       TYR  27  -7.562  -6.003  -0.630
  194   2HB   TYR  27          2HB       TYR  27  -8.009  -5.496  -2.248
  195    HD1  TYR  27           HD1      TYR  27 -10.437  -5.449  -2.922
  196    HD2  TYR  27           HD2      TYR  27  -9.183  -6.510   1.065
  197    HE1  TYR  27           HE1      TYR  27 -12.742  -4.986  -2.061
  198    HE2  TYR  27           HE2      TYR  27 -11.465  -6.051   1.916
  199    HH   TYR  27           HH       TYR  27 -13.575  -5.271   1.386
  200    H    ILE  28           H        ILE  28  -6.974  -6.627  -4.107
  201    HA   ILE  28           HA       ILE  28  -8.962  -6.821  -6.055
  202    HB   ILE  28           HB       ILE  28  -5.941  -6.836  -6.134
  203   1HG1  ILE  28          1HG1      ILE  28  -8.120  -4.929  -7.111
  204   2HG1  ILE  28          2HG1      ILE  28  -7.146  -4.759  -5.653
  205   1HG2  ILE  28          1HG2      ILE  28  -6.102  -6.679  -8.675
  206   2HG2  ILE  28          2HG2      ILE  28  -6.344  -8.266  -7.999
  207   3HG2  ILE  28          3HG2      ILE  28  -7.762  -7.327  -8.492
  208   1HD1  ILE  28          1HD1      ILE  28  -5.087  -4.733  -7.240
  209   2HD1  ILE  28          2HD1      ILE  28  -6.278  -4.433  -8.527
  210   3HD1  ILE  28          3HD1      ILE  28  -6.128  -3.294  -7.181
  211    H    ASN  29           H        ASN  29  -6.459  -9.313  -5.423
  212    HA   ASN  29           HA       ASN  29  -7.484 -11.197  -7.298
  213   1HB   ASN  29          1HB       ASN  29  -5.189 -11.120  -6.167
  214   2HB   ASN  29          2HB       ASN  29  -5.947 -11.829  -4.738
  215   1HD2  ASN  29          1HD2      ASN  29  -6.052 -14.123  -4.712
  216   2HD2  ASN  29          2HD2      ASN  29  -5.809 -15.047  -6.193
  217    H    MET  30           H        MET  30  -8.095 -10.785  -3.815
  218    HA   MET  30           HA       MET  30 -10.058 -12.884  -3.504
  219   1HB   MET  30          1HB       MET  30  -8.957 -10.579  -1.928
  220   2HB   MET  30          2HB       MET  30 -10.532 -11.162  -1.446
  221   1HG   MET  30          1HG       MET  30  -8.387 -13.212  -1.955
  222   2HG   MET  30          2HG       MET  30  -8.231 -12.211  -0.518
  223   1HE   MET  30          1HE       MET  30  -9.745 -12.105   1.439
  224   2HE   MET  30          2HE       MET  30 -11.248 -11.762   0.555
  225   3HE   MET  30          3HE       MET  30 -11.195 -13.095   1.722
  226    H    LEU  31           H        LEU  31 -10.331  -9.750  -4.868
  227    HA   LEU  31           HA       LEU  31 -13.284  -9.653  -4.705
  228   1HB   LEU  31          1HB       LEU  31 -12.375  -7.593  -4.148
  229   2HB   LEU  31          2HB       LEU  31 -11.004  -7.785  -5.225
  230   1HD1  LEU  31          1HD1      LEU  31 -14.530  -6.283  -6.994
  231   2HD1  LEU  31          2HD1      LEU  31 -14.667  -7.717  -5.975
  232   3HD1  LEU  31          3HD1      LEU  31 -14.412  -6.129  -5.223
  233   1HD2  LEU  31          1HD2      LEU  31 -11.828  -5.296  -5.049
  234   2HD2  LEU  31          2HD2      LEU  31 -10.990  -5.639  -6.581
  235   3HD2  LEU  31          3HD2      LEU  31 -12.556  -4.823  -6.598
  236   1HG   LEU  31          1HG       LEU  31 -12.416  -7.358  -7.155
  237    H    THR  32           H        THR  32 -10.901 -10.942  -6.780
  238    HA   THR  32           HA       THR  32 -10.875 -11.688  -8.926
  239    HB   THR  32           HB       THR  32 -13.905 -11.719  -8.876
  240    HG1  THR  32           HG1      THR  32 -12.965 -12.580  -6.952
  241   1HG2  THR  32          1HG2      THR  32 -11.900 -13.726 -10.008
  242   2HG2  THR  32          2HG2      THR  32 -13.670 -13.821 -10.094
  243   3HG2  THR  32          3HG2      THR  32 -12.815 -12.564 -10.996
  244    H    ARG  33           H        ARG  33 -11.047  -8.750  -8.393
  245    HA   ARG  33           HA       ARG  33 -11.822  -7.859 -11.132
  246   1HB   ARG  33          1HB       ARG  33 -13.480  -7.266  -9.129
  247   2HB   ARG  33          2HB       ARG  33 -12.350  -5.943  -8.895
  248   1HG   ARG  33          1HG       ARG  33 -13.495  -4.834 -10.473
  249   2HG   ARG  33          2HG       ARG  33 -12.719  -5.884 -11.647
  250   1HD   ARG  33          1HD       ARG  33 -14.852  -6.384 -12.243
  251   2HD   ARG  33          2HD       ARG  33 -14.773  -7.525 -10.895
  252    HE   ARG  33           HNE      ARG  33 -15.598  -5.122  -9.751
  253   1HH1  ARG  33          2HH2      ARG  33 -16.933  -7.268 -12.181
  254   2HH1  ARG  33          1HH2      ARG  33 -18.574  -6.779 -11.893
  255   1HH2  ARG  33          2HH1      ARG  33 -17.717  -4.421  -9.474
  256   2HH2  ARG  33          1HH1      ARG  33 -18.980  -5.155 -10.426
  257    HA   PRO  34           HA       PRO  34  -7.537  -6.459 -10.337
  258   1HB   PRO  34          1HB       PRO  34  -6.638  -6.675 -12.917
  259   2HB   PRO  34          2HB       PRO  34  -6.643  -8.003 -11.724
  260   1HG   PRO  34          1HG       PRO  34  -8.512  -7.540 -14.019
  261   2HG   PRO  34          2HG       PRO  34  -7.972  -9.081 -13.285
  262   1HD   PRO  34          1HD       PRO  34 -10.423  -7.765 -12.823
  263   2HD   PRO  34          2HD       PRO  34  -9.740  -9.073 -11.813
  264    H    ARG  35           H        ARG  35  -6.471  -4.578 -10.786
  265    HA   ARG  35           HA       ARG  35  -8.157  -2.402 -11.914
  266   1HB   ARG  35          1HB       ARG  35  -7.061  -2.414  -9.547
  267   2HB   ARG  35          2HB       ARG  35  -5.558  -2.075 -10.389
  268   1HG   ARG  35          1HG       ARG  35  -6.084   0.097 -10.278
  269   2HG   ARG  35          2HG       ARG  35  -7.331  -0.170 -11.482
  270   1HD   ARG  35          1HD       ARG  35  -8.031  -0.758  -8.604
  271   2HD   ARG  35          2HD       ARG  35  -7.789   0.917  -9.044
  272    HE   ARG  35           HNE      ARG  35  -9.972  -0.845  -9.905
  273   1HH1  ARG  35          2HH2      ARG  35  -8.401   2.230 -10.478
  274   2HH1  ARG  35          1HH2      ARG  35  -9.829   3.021 -11.068
  275   1HH2  ARG  35          2HH1      ARG  35 -11.788   0.134 -10.806
  276   2HH2  ARG  35          1HH1      ARG  35 -11.714   1.809 -11.264
  277    H    TYR  36           H        TYR  36  -5.227  -4.105 -12.566
  278    HA   TYR  36           HA       TYR  36  -3.585  -3.972 -14.119
  279   1HB   TYR  36          1HB       TYR  36  -6.138  -4.229 -15.275
  280   2HB   TYR  36          2HB       TYR  36  -5.287  -3.147 -16.339
  281    HD1  TYR  36           HD1      TYR  36  -3.467  -3.951 -17.735
  282    HD2  TYR  36           HD2      TYR  36  -5.241  -6.510 -14.755
  283    HE1  TYR  36           HE1      TYR  36  -2.393  -5.925 -18.793
  284    HE2  TYR  36           HE2      TYR  36  -4.142  -8.491 -15.805
  285    HH   TYR  36           HH       TYR  36  -2.226  -8.230 -18.783
  286   1HN   NH2  37          1HN       NH2  37  -2.371  -2.171 -13.126
  287   2HN   NH2  37          2HN       NH2  37  -2.367  -0.663 -14.039
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1   7.090   2.886 -17.214
    2   2H    ALA   1          2H        ALA   1   7.274   3.310 -15.639
    3   3H    ALA   1          3H        ALA   1   8.149   2.058 -16.238
    4    HA   ALA   1           HA       ALA   1   6.462   0.592 -16.204
    5   1HB   ALA   1          1HB       ALA   1   6.872   1.859 -13.876
    6   2HB   ALA   1          2HB       ALA   1   5.195   2.381 -14.146
    7   3HB   ALA   1          3HB       ALA   1   5.599   0.654 -14.050
    8    HA   PRO   2           HA       PRO   2   2.840   1.665 -18.492
    9   1HB   PRO   2          1HB       PRO   2   0.866  -0.028 -17.596
   10   2HB   PRO   2          2HB       PRO   2   2.258  -0.547 -18.579
   11   1HG   PRO   2          1HG       PRO   2   1.807  -0.880 -15.631
   12   2HG   PRO   2          2HG       PRO   2   2.674  -1.948 -16.772
   13   1HD   PRO   2          1HD       PRO   2   3.810  -0.088 -14.995
   14   2HD   PRO   2          2HD       PRO   2   4.663  -0.857 -16.366
   15    H    LEU   3           H        LEU   3   2.629   3.758 -17.777
   16    HA   LEU   3           HA       LEU   3   1.801   5.609 -16.768
   17   1HB   LEU   3          1HB       LEU   3  -0.188   4.354 -18.153
   18   2HB   LEU   3          2HB       LEU   3  -0.953   4.449 -16.589
   19   1HD1  LEU   3          1HD1      LEU   3   0.448   7.596 -16.074
   20   2HD1  LEU   3          2HD1      LEU   3  -1.195   8.131 -16.473
   21   3HD1  LEU   3          3HD1      LEU   3  -0.958   6.726 -15.420
   22   1HD2  LEU   3          1HD2      LEU   3   0.411   8.020 -18.503
   23   2HD2  LEU   3          2HD2      LEU   3   1.235   6.468 -18.717
   24   3HD2  LEU   3          3HD2      LEU   3  -0.250   6.814 -19.609
   25   1HG   LEU   3          1HG       LEU   3  -1.623   6.326 -17.875
   26    H    GLU   4           H        GLU   4   3.024   5.445 -14.891
   27    HA   GLU   4           HA       GLU   4   2.510   3.890 -12.651
   28   1HB   GLU   4          1HB       GLU   4   4.060   6.386 -13.168
   29   2HB   GLU   4          2HB       GLU   4   3.533   6.212 -11.510
   30   1HG   GLU   4          1HG       GLU   4   4.626   3.674 -12.297
   31   2HG   GLU   4          2HG       GLU   4   5.726   4.910 -12.866
   32    HA   PRO   5           HA       PRO   5  -1.118   5.470 -10.813
   33   1HB   PRO   5          1HB       PRO   5  -0.735   4.896  -8.121
   34   2HB   PRO   5          2HB       PRO   5  -1.181   3.713  -9.380
   35   1HG   PRO   5          1HG       PRO   5   1.478   4.169  -8.084
   36   2HG   PRO   5          2HG       PRO   5   0.787   2.664  -8.763
   37   1HD   PRO   5          1HD       PRO   5   2.673   4.363  -9.998
   38   2HD   PRO   5          2HD       PRO   5   1.728   3.080 -10.806
   39    H    GLU   6           H        GLU   6   1.728   7.023 -10.420
   40    HA   GLU   6           HA       GLU   6   2.432   9.065  -9.943
   41   1HB   GLU   6          1HB       GLU   6  -0.201   9.417 -10.824
   42   2HB   GLU   6          2HB       GLU   6  -0.097  10.432  -9.383
   43   1HG   GLU   6          1HG       GLU   6   1.697  11.716 -10.301
   44   2HG   GLU   6          2HG       GLU   6   2.035  10.513 -11.547
   45    H    TYR   7           H        TYR   7   3.600   9.426  -8.203
   46    HA   TYR   7           HA       TYR   7   2.279   9.571  -5.558
   47   1HB   TYR   7          1HB       TYR   7   2.994   7.172  -6.252
   48   2HB   TYR   7          2HB       TYR   7   4.626   7.706  -5.918
   49    HD1  TYR   7           HD1      TYR   7   1.503   6.522  -4.550
   50    HD2  TYR   7           HD2      TYR   7   5.097   8.692  -3.552
   51    HE1  TYR   7           HE1      TYR   7   1.053   6.141  -2.136
   52    HE2  TYR   7           HE2      TYR   7   4.610   8.313  -1.117
   53    HH   TYR   7           HH       TYR   7   1.623   7.218   0.038
   54    HA   PRO   8           HA       PRO   8   5.608  12.722  -5.955
   55   1HB   PRO   8          1HB       PRO   8   4.260  14.770  -4.662
   56   2HB   PRO   8          2HB       PRO   8   4.214  14.441  -6.414
   57   1HG   PRO   8          1HG       PRO   8   2.133  13.878  -4.352
   58   2HG   PRO   8          2HG       PRO   8   1.948  14.187  -6.103
   59   1HD   PRO   8          1HD       PRO   8   1.893  11.668  -4.796
   60   2HD   PRO   8          2HD       PRO   8   1.995  11.940  -6.557
   61    H    GLY   9           H        GLY   9   4.102  11.094  -3.385
   62   1HA   GLY   9          1HA       GLY   9   5.044  10.350  -1.394
   63   2HA   GLY   9          2HA       GLY   9   6.461  11.362  -1.679
   64    H    ASP  10           H        ASP  10   2.989  11.512  -0.807
   65    HA   ASP  10           HA       ASP  10   3.482  13.553   1.245
   66   1HB   ASP  10          1HB       ASP  10   1.900  13.918  -1.301
   67   2HB   ASP  10          2HB       ASP  10   1.173  14.520   0.178
   68    H    ASN  11           H        ASN  11   1.535  13.835   2.544
   69    HA   ASN  11           HA       ASN  11  -0.069  13.122   3.954
   70   1HB   ASN  11          1HB       ASN  11  -1.151  13.030   1.536
   71   2HB   ASN  11          2HB       ASN  11  -1.255  11.310   1.863
   72   1HD2  ASN  11          1HD2      ASN  11  -2.899  10.602   3.338
   73   2HD2  ASN  11          2HD2      ASN  11  -3.987  11.796   4.069
   74    H    ALA  12           H        ALA  12   1.249  12.112   5.403
   75    HA   ALA  12           HA       ALA  12   2.211  10.547   6.682
   76   1HB   ALA  12          1HB       ALA  12   0.007   8.902   5.566
   77   2HB   ALA  12          2HB       ALA  12   1.428   8.000   6.089
   78   3HB   ALA  12          3HB       ALA  12   0.593   9.086   7.215
   79    H    THR  13           H        THR  13   3.886   8.855   6.632
   80    HA   THR  13           HA       THR  13   5.805   9.423   4.626
   81    HB   THR  13           HB       THR  13   7.008   7.471   5.725
   82    HG1  THR  13           HG1      THR  13   5.986   6.617   7.549
   83   1HG2  THR  13          1HG2      THR  13   7.153   9.843   6.620
   84   2HG2  THR  13          2HG2      THR  13   5.863   9.416   7.767
   85   3HG2  THR  13          3HG2      THR  13   7.420   8.565   7.818
   86    HA   PRO  14           HA       PRO  14   4.655   6.652   1.426
   87   1HB   PRO  14          1HB       PRO  14   7.080   5.942   0.273
   88   2HB   PRO  14          2HB       PRO  14   6.242   7.492   0.044
   89   1HG   PRO  14          1HG       PRO  14   8.617   6.909   1.741
   90   2HG   PRO  14          2HG       PRO  14   8.151   8.423   0.911
   91   1HD   PRO  14          1HD       PRO  14   7.812   7.840   3.646
   92   2HD   PRO  14          2HD       PRO  14   7.008   9.166   2.758
   93    H    GLU  15           H        GLU  15   6.493   5.496   4.061
   94    HA   GLU  15           HA       GLU  15   6.421   2.654   3.377
   95   1HB   GLU  15          1HB       GLU  15   7.229   2.307   5.635
   96   2HB   GLU  15          2HB       GLU  15   8.168   3.583   4.854
   97   1HG   GLU  15          1HG       GLU  15   7.050   5.301   6.068
   98   2HG   GLU  15          2HG       GLU  15   5.832   4.202   6.712
   99    H    GLN  16           H        GLN  16   4.092   4.955   4.634
  100    HA   GLN  16           HA       GLN  16   2.563   2.959   6.123
  101   1HB   GLN  16          1HB       GLN  16   2.712   5.506   6.576
  102   2HB   GLN  16          2HB       GLN  16   1.616   5.707   5.215
  103   1HG   GLN  16          1HG       GLN  16  -0.099   5.378   6.647
  104   2HG   GLN  16          2HG       GLN  16   0.379   3.689   6.772
  105   1HE2  GLN  16          1HE2      GLN  16   1.099   2.953   8.839
  106   2HE2  GLN  16          2HE2      GLN  16   1.470   4.129  10.113
  107    H    MET  17           H        MET  17   2.064   4.834   3.114
  108    HA   MET  17           HA       MET  17  -0.312   3.466   2.304
  109   1HB   MET  17          1HB       MET  17   1.105   5.677   1.465
  110   2HB   MET  17          2HB       MET  17   1.414   4.557   0.134
  111   1HG   MET  17          1HG       MET  17  -1.390   4.997   1.207
  112   2HG   MET  17          2HG       MET  17  -0.663   6.175   0.132
  113   1HE   MET  17          1HE       MET  17  -3.078   3.985   0.397
  114   2HE   MET  17          2HE       MET  17  -3.508   3.841  -1.322
  115   3HE   MET  17          3HE       MET  17  -2.731   2.483  -0.494
  116    H    ALA  18           H        ALA  18   3.085   2.614   1.953
  117    HA   ALA  18           HA       ALA  18   2.983   0.614   0.008
  118   1HB   ALA  18          1HB       ALA  18   5.005   1.535   1.261
  119   2HB   ALA  18          2HB       ALA  18   4.569   0.459   2.606
  120   3HB   ALA  18          3HB       ALA  18   4.991  -0.219   1.022
  121    H    GLN  19           H        GLN  19   1.864   0.459   3.399
  122    HA   GLN  19           HA       GLN  19   1.391  -2.384   3.472
  123   1HB   GLN  19          1HB       GLN  19   1.113  -0.097   5.233
  124   2HB   GLN  19          2HB       GLN  19  -0.405  -0.968   5.246
  125   1HG   GLN  19          1HG       GLN  19   2.157  -2.554   5.545
  126   2HG   GLN  19          2HG       GLN  19   1.643  -1.522   6.874
  127   1HE2  GLN  19          1HE2      GLN  19   0.853  -4.575   5.150
  128   2HE2  GLN  19          2HE2      GLN  19  -0.470  -4.869   6.292
  129    H    TYR  20           H        TYR  20  -0.863   0.369   2.990
  130    HA   TYR  20           HA       TYR  20  -3.176  -1.181   2.327
  131   1HB   TYR  20          1HB       TYR  20  -2.294   1.668   2.019
  132   2HB   TYR  20          2HB       TYR  20  -3.543   1.108   0.927
  133    HD1  TYR  20           HD1      TYR  20  -5.765   1.073   1.496
  134    HD2  TYR  20           HD2      TYR  20  -2.782   1.224   4.610
  135    HE1  TYR  20           HE1      TYR  20  -7.543   1.514   3.159
  136    HE2  TYR  20           HE2      TYR  20  -4.579   1.654   6.293
  137    HH   TYR  20           HH       TYR  20  -7.995   2.025   5.330
  138    H    ALA  21           H        ALA  21  -0.616   0.209   0.191
  139    HA   ALA  21           HA       ALA  21  -1.777  -0.640  -2.257
  140   1HB   ALA  21          1HB       ALA  21   1.220  -0.532  -1.823
  141   2HB   ALA  21          2HB       ALA  21   0.257  -0.019  -3.226
  142   3HB   ALA  21          3HB       ALA  21   0.251   0.953  -1.751
  143    H    ALA  22           H        ALA  22   0.507  -2.359  -0.040
  144    HA   ALA  22           HA       ALA  22   0.612  -4.763  -1.593
  145   1HB   ALA  22          1HB       ALA  22   2.148  -3.967   0.356
  146   2HB   ALA  22          2HB       ALA  22   0.915  -4.680   1.421
  147   3HB   ALA  22          3HB       ALA  22   1.762  -5.685   0.223
  148    H    GLU  23           H        GLU  23  -1.636  -3.656   0.976
  149    HA   GLU  23           HA       GLU  23  -3.144  -6.060   1.209
  150   1HB   GLU  23          1HB       GLU  23  -3.210  -4.162   2.805
  151   2HB   GLU  23          2HB       GLU  23  -4.133  -3.222   1.636
  152   1HG   GLU  23          1HG       GLU  23  -5.315  -5.896   2.089
  153   2HG   GLU  23          2HG       GLU  23  -5.128  -5.002   3.584
  154    H    LEU  24           H        LEU  24  -3.772  -3.166  -0.844
  155    HA   LEU  24           HA       LEU  24  -6.053  -4.013  -2.184
  156   1HB   LEU  24          1HB       LEU  24  -5.121  -1.790  -2.471
  157   2HB   LEU  24          2HB       LEU  24  -3.676  -2.449  -3.217
  158   1HD1  LEU  24          1HD1      LEU  24  -7.160  -1.640  -5.467
  159   2HD1  LEU  24          2HD1      LEU  24  -7.362  -1.974  -3.740
  160   3HD1  LEU  24          3HD1      LEU  24  -6.409  -0.560  -4.262
  161   1HD2  LEU  24          1HD2      LEU  24  -3.796  -2.772  -5.895
  162   2HD2  LEU  24          2HD2      LEU  24  -4.939  -1.522  -6.412
  163   3HD2  LEU  24          3HD2      LEU  24  -3.775  -1.177  -5.116
  164   1HG   LEU  24          1HG       LEU  24  -5.744  -3.437  -4.869
  165    H    ARG  25           H        ARG  25  -2.663  -4.797  -3.162
  166    HA   ARG  25           HA       ARG  25  -3.200  -6.430  -5.405
  167   1HB   ARG  25          1HB       ARG  25  -0.941  -5.970  -4.905
  168   2HB   ARG  25          2HB       ARG  25  -1.077  -6.575  -3.256
  169   1HG   ARG  25          1HG       ARG  25  -1.276  -8.874  -4.018
  170   2HG   ARG  25          2HG       ARG  25  -1.282  -8.358  -5.717
  171   1HD   ARG  25          1HD       ARG  25   1.007  -7.662  -5.590
  172   2HD   ARG  25          2HD       ARG  25   1.003  -7.736  -3.812
  173    HE   ARG  25           HNE      ARG  25   0.410 -10.279  -5.095
  174   1HH1  ARG  25          2HH2      ARG  25   3.124  -8.334  -3.976
  175   2HH1  ARG  25          1HH2      ARG  25   4.176  -9.724  -3.750
  176   1HH2  ARG  25          2HH1      ARG  25   1.834 -12.007  -4.869
  177   2HH2  ARG  25          1HH1      ARG  25   3.431 -11.701  -4.229
  178    H    ARG  26           H        ARG  26  -3.548  -7.308  -2.014
  179    HA   ARG  26           HA       ARG  26  -4.222 -10.122  -2.562
  180   1HB   ARG  26          1HB       ARG  26  -4.886  -8.840   0.082
  181   2HB   ARG  26          2HB       ARG  26  -4.251 -10.439  -0.282
  182   1HG   ARG  26          1HG       ARG  26  -2.062  -9.035  -0.990
  183   2HG   ARG  26          2HG       ARG  26  -2.858  -7.798  -0.011
  184   1HD   ARG  26          1HD       ARG  26  -1.295  -8.898   1.372
  185   2HD   ARG  26          2HD       ARG  26  -2.921  -9.395   1.897
  186    HE   ARG  26           HNE      ARG  26  -1.866 -11.178  -0.105
  187   1HH1  ARG  26          2HH2      ARG  26  -1.516 -10.506   3.280
  188   2HH1  ARG  26          1HH2      ARG  26  -0.998 -12.126   3.688
  189   1HH2  ARG  26          2HH1      ARG  26  -1.300 -13.280   0.414
  190   2HH2  ARG  26          1HH1      ARG  26  -0.931 -13.697   2.051
  191    H    TYR  27           H        TYR  27  -5.898  -7.158  -1.589
  192    HA   TYR  27           HA       TYR  27  -8.521  -8.083  -1.413
  193   1HB   TYR  27          1HB       TYR  27  -7.408  -5.707  -1.007
  194   2HB   TYR  27          2HB       TYR  27  -7.959  -5.383  -2.641
  195    HD1  TYR  27           HD1      TYR  27 -10.117  -4.378  -2.808
  196    HD2  TYR  27           HD2      TYR  27  -9.195  -6.905   0.559
  197    HE1  TYR  27           HE1      TYR  27 -12.317  -3.811  -1.774
  198    HE2  TYR  27           HE2      TYR  27 -11.414  -6.377   1.565
  199    HH   TYR  27           HH       TYR  27 -13.364  -3.781   0.498
  200    H    ILE  28           H        ILE  28  -6.869  -6.849  -4.342
  201    HA   ILE  28           HA       ILE  28  -8.888  -7.109  -6.277
  202    HB   ILE  28           HB       ILE  28  -5.896  -7.597  -6.437
  203   1HG1  ILE  28          1HG1      ILE  28  -7.545  -5.187  -7.366
  204   2HG1  ILE  28          2HG1      ILE  28  -6.775  -5.267  -5.810
  205   1HG2  ILE  28          1HG2      ILE  28  -7.377  -6.831  -8.903
  206   2HG2  ILE  28          2HG2      ILE  28  -5.890  -7.764  -8.729
  207   3HG2  ILE  28          3HG2      ILE  28  -7.461  -8.530  -8.469
  208   1HD1  ILE  28          1HD1      ILE  28  -4.545  -5.562  -6.912
  209   2HD1  ILE  28          2HD1      ILE  28  -5.334  -5.373  -8.492
  210   3HD1  ILE  28          3HD1      ILE  28  -5.344  -4.035  -7.336
  211    H    ASN  29           H        ASN  29  -6.497  -9.655  -5.380
  212    HA   ASN  29           HA       ASN  29  -7.685 -11.731  -6.913
  213   1HB   ASN  29          1HB       ASN  29  -5.382 -11.645  -5.739
  214   2HB   ASN  29          2HB       ASN  29  -6.225 -12.151  -4.272
  215   1HD2  ASN  29          1HD2      ASN  29  -7.622 -14.269  -4.560
  216   2HD2  ASN  29          2HD2      ASN  29  -6.861 -15.433  -5.645
  217    H    MET  30           H        MET  30  -8.317 -10.684  -3.553
  218    HA   MET  30           HA       MET  30 -10.355 -12.668  -3.022
  219   1HB   MET  30          1HB       MET  30  -8.793 -11.187  -1.440
  220   2HB   MET  30          2HB       MET  30 -10.145 -10.061  -1.520
  221   1HG   MET  30          1HG       MET  30 -10.891 -11.288   0.252
  222   2HG   MET  30          2HG       MET  30 -11.514 -12.352  -1.001
  223   1HE   MET  30          1HE       MET  30  -7.896 -13.034   1.771
  224   2HE   MET  30          2HE       MET  30  -7.734 -11.855   0.452
  225   3HE   MET  30          3HE       MET  30  -8.975 -11.623   1.706
  226    H    LEU  31           H        LEU  31 -10.457  -9.795  -4.809
  227    HA   LEU  31           HA       LEU  31 -13.388  -9.382  -4.633
  228   1HB   LEU  31          1HB       LEU  31 -12.312  -7.351  -4.352
  229   2HB   LEU  31          2HB       LEU  31 -10.958  -7.801  -5.372
  230   1HD1  LEU  31          1HD1      LEU  31 -14.237  -5.916  -5.639
  231   2HD1  LEU  31          2HD1      LEU  31 -14.349  -6.286  -7.377
  232   3HD1  LEU  31          3HD1      LEU  31 -14.591  -7.563  -6.180
  233   1HD2  LEU  31          1HD2      LEU  31 -12.378  -4.827  -6.868
  234   2HD2  LEU  31          2HD2      LEU  31 -11.326  -5.387  -5.554
  235   3HD2  LEU  31          3HD2      LEU  31 -10.918  -5.752  -7.240
  236   1HG   LEU  31          1HG       LEU  31 -12.308  -7.507  -7.366
  237    H    THR  32           H        THR  32 -11.085 -11.057  -6.535
  238    HA   THR  32           HA       THR  32 -11.167 -12.148  -8.528
  239    HB   THR  32           HB       THR  32 -14.195 -11.975  -8.447
  240    HG1  THR  32           HG1      THR  32 -13.143 -12.569  -6.445
  241   1HG2  THR  32          1HG2      THR  32 -13.579 -13.181 -10.389
  242   2HG2  THR  32          2HG2      THR  32 -12.184 -13.945  -9.592
  243   3HG2  THR  32          3HG2      THR  32 -13.835 -14.448  -9.182
  244    H    ARG  33           H        ARG  33 -11.071  -9.183  -8.451
  245    HA   ARG  33           HA       ARG  33 -11.756  -8.636 -11.258
  246   1HB   ARG  33          1HB       ARG  33 -13.535  -7.884  -9.281
  247   2HB   ARG  33          2HB       ARG  33 -12.524  -6.450  -9.349
  248   1HG   ARG  33          1HG       ARG  33 -13.345  -7.412 -12.025
  249   2HG   ARG  33          2HG       ARG  33 -14.707  -7.107 -10.962
  250   1HD   ARG  33          1HD       ARG  33 -14.006  -4.808 -10.567
  251   2HD   ARG  33          2HD       ARG  33 -12.486  -5.069 -11.418
  252    HE   ARG  33           HNE      ARG  33 -13.566  -4.907 -13.468
  253   1HH1  ARG  33          2HH2      ARG  33 -16.030  -5.124 -11.011
  254   2HH1  ARG  33          1HH2      ARG  33 -17.350  -4.935 -12.128
  255   1HH2  ARG  33          2HH1      ARG  33 -15.249  -4.637 -14.909
  256   2HH2  ARG  33          1HH1      ARG  33 -16.879  -4.725 -14.356
  257    HA   PRO  34           HA       PRO  34  -7.828  -6.549 -10.897
  258   1HB   PRO  34          1HB       PRO  34  -7.829  -5.027 -13.195
  259   2HB   PRO  34          2HB       PRO  34  -7.535  -6.784 -13.120
  260   1HG   PRO  34          1HG       PRO  34 -10.009  -5.322 -13.967
  261   2HG   PRO  34          2HG       PRO  34  -9.358  -6.888 -14.544
  262   1HD   PRO  34          1HD       PRO  34 -11.425  -6.508 -12.688
  263   2HD   PRO  34          2HD       PRO  34 -10.549  -8.037 -12.961
  264    H    ARG  35           H        ARG  35  -6.920  -4.176 -11.221
  265    HA   ARG  35           HA       ARG  35  -8.261  -2.416  -9.367
  266   1HB   ARG  35          1HB       ARG  35  -5.827  -2.418  -9.584
  267   2HB   ARG  35          2HB       ARG  35  -5.935  -1.921 -11.274
  268   1HG   ARG  35          1HG       ARG  35  -7.444  -0.089  -9.508
  269   2HG   ARG  35          2HG       ARG  35  -5.784  -0.246  -8.972
  270   1HD   ARG  35          1HD       ARG  35  -6.479   0.342 -11.880
  271   2HD   ARG  35          2HD       ARG  35  -6.353   1.613 -10.653
  272    HE   ARG  35           HNE      ARG  35  -4.046  -0.161 -10.704
  273   1HH1  ARG  35          2HH2      ARG  35  -5.346   2.708 -12.213
  274   2HH1  ARG  35          1HH2      ARG  35  -3.775   3.344 -12.645
  275   1HH2  ARG  35          2HH1      ARG  35  -2.046   0.720 -11.186
  276   2HH2  ARG  35          1HH1      ARG  35  -1.937   2.205 -12.093
  277    H    TYR  36           H        TYR  36  -9.973  -1.289  -9.780
  278    HA   TYR  36           HA       TYR  36 -11.348  -0.802 -12.100
  279   1HB   TYR  36          1HB       TYR  36 -11.850  -0.342  -9.559
  280   2HB   TYR  36          2HB       TYR  36 -11.231   1.264  -9.890
  281    HD1  TYR  36           HD1      TYR  36 -13.712  -1.294 -11.052
  282    HD2  TYR  36           HD2      TYR  36 -12.746   2.903 -10.777
  283    HE1  TYR  36           HE1      TYR  36 -15.997  -0.712 -11.872
  284    HE2  TYR  36           HE2      TYR  36 -15.041   3.475 -11.584
  285    HH   TYR  36           HH       TYR  36 -17.488   1.904 -11.446
  286   1HN   NH2  37          1HN       NH2  37 -10.836   0.305 -14.003
  287   2HN   NH2  37          2HN       NH2  37  -9.652   1.612 -14.018
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1 -24.092  -1.603   7.590
    2   2H    ALA   1          2H        ALA   1 -22.545  -1.785   7.101
    3   3H    ALA   1          3H        ALA   1 -23.163  -2.800   8.253
    4    HA   ALA   1           HA       ALA   1 -23.163  -1.228   9.898
    5   1HB   ALA   1          1HB       ALA   1 -20.708  -1.389   8.239
    6   2HB   ALA   1          2HB       ALA   1 -20.800   0.077   9.226
    7   3HB   ALA   1          3HB       ALA   1 -20.920  -1.511  10.000
    8    HA   PRO   2           HA       PRO   2 -24.833   2.672   8.802
    9   1HB   PRO   2          1HB       PRO   2 -24.225   4.208  11.034
   10   2HB   PRO   2          2HB       PRO   2 -25.523   2.987  10.952
   11   1HG   PRO   2          1HG       PRO   2 -22.859   2.800  12.288
   12   2HG   PRO   2          2HG       PRO   2 -24.382   1.953  12.672
   13   1HD   PRO   2          1HD       PRO   2 -22.155   0.906  11.255
   14   2HD   PRO   2          2HD       PRO   2 -23.772   0.162  11.386
   15    H    LEU   3           H        LEU   3 -21.591   3.083  10.319
   16    HA   LEU   3           HA       LEU   3 -20.956   5.323   8.541
   17   1HB   LEU   3          1HB       LEU   3 -18.896   5.495   9.683
   18   2HB   LEU   3          2HB       LEU   3 -20.190   5.428  10.853
   19   1HD1  LEU   3          1HD1      LEU   3 -17.107   3.564  12.151
   20   2HD1  LEU   3          2HD1      LEU   3 -16.955   4.706  10.813
   21   3HD1  LEU   3          3HD1      LEU   3 -17.931   5.144  12.237
   22   1HD2  LEU   3          1HD2      LEU   3 -20.596   3.611  12.210
   23   2HD2  LEU   3          2HD2      LEU   3 -20.076   2.046  11.524
   24   3HD2  LEU   3          3HD2      LEU   3 -19.171   2.793  12.842
   25   1HG   LEU   3          1HG       LEU   3 -18.480   2.977  10.203
   26    H    GLU   4           H        GLU   4 -19.948   5.155   6.627
   27    HA   GLU   4           HA       GLU   4 -18.883   2.523   5.800
   28   1HB   GLU   4          1HB       GLU   4 -20.056   4.876   4.309
   29   2HB   GLU   4          2HB       GLU   4 -19.075   3.651   3.485
   30   1HG   GLU   4          1HG       GLU   4 -20.571   1.879   4.361
   31   2HG   GLU   4          2HG       GLU   4 -21.624   3.121   5.049
   32    HA   PRO   5           HA       PRO   5 -14.773   4.064   5.725
   33   1HB   PRO   5          1HB       PRO   5 -13.584   2.568   3.725
   34   2HB   PRO   5          2HB       PRO   5 -14.058   1.954   5.325
   35   1HG   PRO   5          1HG       PRO   5 -15.441   1.572   2.697
   36   2HG   PRO   5          2HG       PRO   5 -15.361   0.483   4.113
   37   1HD   PRO   5          1HD       PRO   5 -17.490   2.191   3.415
   38   2HD   PRO   5          2HD       PRO   5 -17.265   1.381   4.990
   39    H    GLU   6           H        GLU   6 -15.797   6.134   5.050
   40    HA   GLU   6           HA       GLU   6 -15.086   7.024   2.315
   41   1HB   GLU   6          1HB       GLU   6 -16.793   8.168   4.517
   42   2HB   GLU   6          2HB       GLU   6 -16.016   9.283   3.394
   43   1HG   GLU   6          1HG       GLU   6 -18.004   8.925   2.311
   44   2HG   GLU   6          2HG       GLU   6 -16.945   7.789   1.485
   45    H    TYR   7           H        TYR   7 -13.137   7.605   1.910
   46    HA   TYR   7           HA       TYR   7 -11.755   9.643   3.542
   47   1HB   TYR   7          1HB       TYR   7 -10.757   6.830   3.024
   48   2HB   TYR   7          2HB       TYR   7  -9.613   8.150   3.194
   49    HD1  TYR   7           HD1      TYR   7  -9.336   9.392   5.251
   50    HD2  TYR   7           HD2      TYR   7 -12.018   6.034   5.019
   51    HE1  TYR   7           HE1      TYR   7  -9.413   9.282   7.750
   52    HE2  TYR   7           HE2      TYR   7 -12.090   5.908   7.502
   53    HH   TYR   7           HH       TYR   7 -11.297   6.750   9.424
   54    HA   PRO   8           HA       PRO   8 -11.361  10.100  -1.111
   55   1HB   PRO   8          1HB       PRO   8 -12.751  12.454  -1.477
   56   2HB   PRO   8          2HB       PRO   8 -13.458  10.822  -1.617
   57   1HG   PRO   8          1HG       PRO   8 -13.759  12.809   0.593
   58   2HG   PRO   8          2HG       PRO   8 -14.867  11.507   0.069
   59   1HD   PRO   8          1HD       PRO   8 -13.057  11.450   2.277
   60   2HD   PRO   8          2HD       PRO   8 -13.997  10.085   1.611
   61    H    GLY   9           H        GLY   9  -9.278  10.636  -1.176
   62   1HA   GLY   9          1HA       GLY   9  -7.751  12.487  -1.742
   63   2HA   GLY   9          2HA       GLY   9  -8.452  13.427  -0.424
   64    H    ASP  10           H        ASP  10  -6.393  10.664  -1.224
   65    HA   ASP  10           HA       ASP  10  -4.922  10.949   1.325
   66   1HB   ASP  10          1HB       ASP  10  -6.405   8.546   0.310
   67   2HB   ASP  10          2HB       ASP  10  -4.744   8.255   0.781
   68    H    ASN  11           H        ASN  11  -2.795  10.733   1.097
   69    HA   ASN  11           HA       ASN  11  -1.391   9.434  -1.019
   70   1HB   ASN  11          1HB       ASN  11  -2.151  11.520  -2.251
   71   2HB   ASN  11          2HB       ASN  11  -1.250  12.487  -1.090
   72   1HD2  ASN  11          1HD2      ASN  11  -1.080  10.690  -4.050
   73   2HD2  ASN  11          2HD2      ASN  11   0.674  10.811  -4.182
   74    H    ALA  12           H        ALA  12  -0.612   8.498   0.971
   75    HA   ALA  12           HA       ALA  12   1.135  10.254   2.609
   76   1HB   ALA  12          1HB       ALA  12   0.754   8.857   4.295
   77   2HB   ALA  12          2HB       ALA  12  -0.484   8.060   3.319
   78   3HB   ALA  12          3HB       ALA  12   1.174   7.427   3.332
   79    H    THR  13           H        THR  13   3.283   9.620   2.938
   80    HA   THR  13           HA       THR  13   4.982   9.303   0.860
   81    HB   THR  13           HB       THR  13   6.659   8.444   2.525
   82    HG1  THR  13           HG1      THR  13   4.247   8.089   3.922
   83   1HG2  THR  13          1HG2      THR  13   5.912  10.915   2.442
   84   2HG2  THR  13          2HG2      THR  13   4.916  10.544   3.872
   85   3HG2  THR  13          3HG2      THR  13   6.675  10.339   3.937
   86    HA   PRO  14           HA       PRO  14   4.688   5.179  -0.702
   87   1HB   PRO  14          1HB       PRO  14   7.133   4.834  -1.930
   88   2HB   PRO  14          2HB       PRO  14   5.817   5.856  -2.566
   89   1HG   PRO  14          1HG       PRO  14   8.333   6.684  -1.168
   90   2HG   PRO  14          2HG       PRO  14   7.398   7.539  -2.431
   91   1HD   PRO  14          1HD       PRO  14   7.327   8.029   0.354
   92   2HD   PRO  14          2HD       PRO  14   6.152   8.637  -0.849
   93    H    GLU  15           H        GLU  15   6.661   5.904   1.917
   94    HA   GLU  15           HA       GLU  15   7.568   3.135   2.389
   95   1HB   GLU  15          1HB       GLU  15   8.793   4.027   4.227
   96   2HB   GLU  15          2HB       GLU  15   9.003   5.151   2.881
   97   1HG   GLU  15          1HG       GLU  15   7.054   6.467   3.891
   98   2HG   GLU  15          2HG       GLU  15   7.242   5.494   5.343
   99    H    GLN  16           H        GLN  16   4.796   5.119   3.029
  100    HA   GLN  16           HA       GLN  16   3.924   3.315   5.247
  101   1HB   GLN  16          1HB       GLN  16   4.104   5.870   5.589
  102   2HB   GLN  16          2HB       GLN  16   2.692   6.002   4.550
  103   1HG   GLN  16          1HG       GLN  16   2.262   3.943   6.609
  104   2HG   GLN  16          2HG       GLN  16   2.824   5.430   7.353
  105   1HE2  GLN  16          1HE2      GLN  16   0.025   3.880   6.993
  106   2HE2  GLN  16          2HE2      GLN  16  -0.991   5.290   6.699
  107    H    MET  17           H        MET  17   2.711   4.980   2.276
  108    HA   MET  17           HA       MET  17   0.236   3.528   2.165
  109   1HB   MET  17          1HB       MET  17   0.839   5.677   0.933
  110   2HB   MET  17          2HB       MET  17   1.787   4.682  -0.180
  111   1HG   MET  17          1HG       MET  17  -0.773   3.424   0.006
  112   2HG   MET  17          2HG       MET  17  -1.101   5.137  -0.041
  113   1HE   MET  17          1HE       MET  17  -2.227   5.498  -2.251
  114   2HE   MET  17          2HE       MET  17  -0.867   6.627  -2.038
  115   3HE   MET  17          3HE       MET  17  -1.160   5.877  -3.625
  116    H    ALA  18           H        ALA  18   3.487   2.581   1.347
  117    HA   ALA  18           HA       ALA  18   3.104   0.464  -0.459
  118   1HB   ALA  18          1HB       ALA  18   5.326   0.391  -0.139
  119   2HB   ALA  18          2HB       ALA  18   5.199   1.444   1.281
  120   3HB   ALA  18          3HB       ALA  18   5.090  -0.303   1.472
  121    H    GLN  19           H        GLN  19   2.310   0.612   2.991
  122    HA   GLN  19           HA       GLN  19   1.899  -2.252   3.283
  123   1HB   GLN  19          1HB       GLN  19   2.127   0.038   4.981
  124   2HB   GLN  19          2HB       GLN  19   0.519  -0.588   5.273
  125   1HG   GLN  19          1HG       GLN  19   2.793  -2.582   5.209
  126   2HG   GLN  19          2HG       GLN  19   2.744  -1.444   6.545
  127   1HE2  GLN  19          1HE2      GLN  19   0.753  -1.340   7.903
  128   2HE2  GLN  19          2HE2      GLN  19  -0.178  -2.833   8.021
  129    H    TYR  20           H        TYR  20  -0.405   0.514   3.259
  130    HA   TYR  20           HA       TYR  20  -2.801  -0.992   3.025
  131   1HB   TYR  20          1HB       TYR  20  -1.921   1.818   2.600
  132   2HB   TYR  20          2HB       TYR  20  -3.268   1.340   1.595
  133    HD1  TYR  20           HD1      TYR  20  -5.344   1.921   2.403
  134    HD2  TYR  20           HD2      TYR  20  -2.266   0.795   5.214
  135    HE1  TYR  20           HE1      TYR  20  -6.920   2.313   4.282
  136    HE2  TYR  20           HE2      TYR  20  -3.864   1.202   7.098
  137    HH   TYR  20           HH       TYR  20  -7.145   1.420   6.733
  138    H    ALA  21           H        ALA  21  -0.652   0.263   0.399
  139    HA   ALA  21           HA       ALA  21  -2.213  -0.709  -1.767
  140   1HB   ALA  21          1HB       ALA  21   0.801  -0.326  -1.513
  141   2HB   ALA  21          2HB       ALA  21  -0.117  -0.444  -3.036
  142   3HB   ALA  21          3HB       ALA  21  -0.380   0.931  -1.945
  143    H    ALA  22           H        ALA  22   0.202  -2.381   0.301
  144    HA   ALA  22           HA       ALA  22   0.224  -4.836  -1.198
  145   1HB   ALA  22          1HB       ALA  22   0.808  -4.553   1.769
  146   2HB   ALA  22          2HB       ALA  22   1.462  -5.727   0.616
  147   3HB   ALA  22          3HB       ALA  22   1.963  -4.035   0.521
  148    H    GLU  23           H        GLU  23  -2.193  -3.455   0.879
  149    HA   GLU  23           HA       GLU  23  -3.537  -6.010   1.473
  150   1HB   GLU  23          1HB       GLU  23  -3.613  -3.906   2.960
  151   2HB   GLU  23          2HB       GLU  23  -4.687  -3.222   1.735
  152   1HG   GLU  23          1HG       GLU  23  -5.939  -5.600   2.099
  153   2HG   GLU  23          2HG       GLU  23  -5.168  -5.451   3.673
  154    H    LEU  24           H        LEU  24  -4.024  -3.127  -0.639
  155    HA   LEU  24           HA       LEU  24  -6.357  -4.033  -1.949
  156   1HB   LEU  24          1HB       LEU  24  -4.220  -2.027  -2.592
  157   2HB   LEU  24          2HB       LEU  24  -5.182  -2.589  -3.944
  158   1HD1  LEU  24          1HD1      LEU  24  -8.372  -2.164  -2.210
  159   2HD1  LEU  24          2HD1      LEU  24  -8.107  -1.224  -3.689
  160   3HD1  LEU  24          3HD1      LEU  24  -7.578  -2.906  -3.608
  161   1HD2  LEU  24          1HD2      LEU  24  -5.400  -0.891  -0.654
  162   2HD2  LEU  24          2HD2      LEU  24  -7.096  -0.402  -0.825
  163   3HD2  LEU  24          3HD2      LEU  24  -6.693  -2.091  -0.458
  164   1HG   LEU  24          1HG       LEU  24  -6.090  -0.557  -3.018
  165    H    ARG  25           H        ARG  25  -2.973  -4.680  -2.853
  166    HA   ARG  25           HA       ARG  25  -3.384  -6.234  -5.191
  167   1HB   ARG  25          1HB       ARG  25  -1.178  -5.740  -4.538
  168   2HB   ARG  25          2HB       ARG  25  -1.378  -6.390  -2.921
  169   1HG   ARG  25          1HG       ARG  25  -1.659  -8.325  -5.235
  170   2HG   ARG  25          2HG       ARG  25  -0.056  -7.685  -4.873
  171   1HD   ARG  25          1HD       ARG  25  -0.398  -8.355  -2.459
  172   2HD   ARG  25          2HD       ARG  25  -1.851  -9.235  -2.964
  173    HE   ARG  25           HNE      ARG  25  -0.045 -10.284  -4.646
  174   1HH1  ARG  25          2HH2      ARG  25   0.186  -9.805  -1.199
  175   2HH1  ARG  25          1HH2      ARG  25   1.431 -10.997  -0.972
  176   1HH2  ARG  25          2HH1      ARG  25   1.481 -11.916  -4.333
  177   2HH2  ARG  25          1HH1      ARG  25   2.008 -12.335  -2.742
  178    H    ARG  26           H        ARG  26  -3.889  -7.193  -1.825
  179    HA   ARG  26           HA       ARG  26  -4.435 -10.009  -2.498
  180   1HB   ARG  26          1HB       ARG  26  -5.297  -8.880   0.148
  181   2HB   ARG  26          2HB       ARG  26  -4.574 -10.438  -0.253
  182   1HG   ARG  26          1HG       ARG  26  -2.403  -8.983  -0.741
  183   2HG   ARG  26          2HG       ARG  26  -3.305  -7.755   0.160
  184   1HD   ARG  26          1HD       ARG  26  -3.559  -9.529   1.994
  185   2HD   ARG  26          2HD       ARG  26  -2.301 -10.432   1.112
  186    HE   ARG  26           HNE      ARG  26  -1.352  -7.801   1.400
  187   1HH1  ARG  26          2HH2      ARG  26  -2.388 -10.284   3.650
  188   2HH1  ARG  26          1HH2      ARG  26  -1.403  -9.710   4.962
  189   1HH2  ARG  26          2HH1      ARG  26   0.002  -7.131   3.091
  190   2HH2  ARG  26          1HH1      ARG  26  -0.043  -7.963   4.621
  191    H    TYR  27           H        TYR  27  -6.263  -7.151  -1.451
  192    HA   TYR  27           HA       TYR  27  -8.869  -8.114  -1.513
  193   1HB   TYR  27          1HB       TYR  27  -7.788  -5.716  -1.051
  194   2HB   TYR  27          2HB       TYR  27  -8.343  -5.399  -2.686
  195    HD1  TYR  27           HD1      TYR  27 -10.978  -6.593  -2.956
  196    HD2  TYR  27           HD2      TYR  27  -9.166  -4.814   0.552
  197    HE1  TYR  27           HE1      TYR  27 -13.221  -6.200  -1.990
  198    HE2  TYR  27           HE2      TYR  27 -11.407  -4.404   1.490
  199    HH   TYR  27           HH       TYR  27 -13.665  -4.715   1.218
  200    H    ILE  28           H        ILE  28  -7.000  -6.825  -4.300
  201    HA   ILE  28           HA       ILE  28  -8.912  -7.184  -6.329
  202    HB   ILE  28           HB       ILE  28  -5.898  -7.219  -6.269
  203   1HG1  ILE  28          1HG1      ILE  28  -7.852  -5.322  -7.628
  204   2HG1  ILE  28          2HG1      ILE  28  -7.299  -5.119  -5.970
  205   1HG2  ILE  28          1HG2      ILE  28  -6.489  -6.972  -9.001
  206   2HG2  ILE  28          2HG2      ILE  28  -5.744  -8.359  -8.187
  207   3HG2  ILE  28          3HG2      ILE  28  -7.466  -8.336  -8.498
  208   1HD1  ILE  28          1HD1      ILE  28  -4.986  -4.876  -6.664
  209   2HD1  ILE  28          2HD1      ILE  28  -5.405  -5.191  -8.359
  210   3HD1  ILE  28          3HD1      ILE  28  -6.007  -3.731  -7.562
  211    H    ASN  29           H        ASN  29  -6.359  -9.582  -5.460
  212    HA   ASN  29           HA       ASN  29  -7.423 -11.646  -7.129
  213   1HB   ASN  29          1HB       ASN  29  -5.086 -11.438  -6.095
  214   2HB   ASN  29          2HB       ASN  29  -5.794 -12.035  -4.589
  215   1HD2  ASN  29          1HD2      ASN  29  -5.242 -14.231  -4.376
  216   2HD2  ASN  29          2HD2      ASN  29  -5.312 -15.334  -5.747
  217    H    MET  30           H        MET  30  -8.306 -10.590  -3.905
  218    HA   MET  30           HA       MET  30 -10.111 -12.820  -3.328
  219   1HB   MET  30          1HB       MET  30  -9.320 -10.224  -1.978
  220   2HB   MET  30          2HB       MET  30 -10.772 -11.053  -1.470
  221   1HG   MET  30          1HG       MET  30  -9.200 -13.181  -1.386
  222   2HG   MET  30          2HG       MET  30  -7.910 -11.979  -1.314
  223   1HE   MET  30          1HE       MET  30 -11.213 -12.836   1.806
  224   2HE   MET  30          2HE       MET  30 -11.599 -12.325   0.148
  225   3HE   MET  30          3HE       MET  30 -10.756 -13.862   0.427
  226    H    LEU  31           H        LEU  31 -10.457 -10.018  -5.243
  227    HA   LEU  31           HA       LEU  31 -13.432 -10.282  -5.166
  228   1HB   LEU  31          1HB       LEU  31 -13.555  -8.080  -4.943
  229   2HB   LEU  31          2HB       LEU  31 -11.841  -8.029  -4.764
  230   1HD1  LEU  31          1HD1      LEU  31 -14.606  -7.883  -6.992
  231   2HD1  LEU  31          2HD1      LEU  31 -14.212  -6.191  -7.313
  232   3HD1  LEU  31          3HD1      LEU  31 -13.751  -7.454  -8.471
  233   1HD2  LEU  31          1HD2      LEU  31 -12.636  -5.400  -5.930
  234   2HD2  LEU  31          2HD2      LEU  31 -11.052  -6.164  -5.693
  235   3HD2  LEU  31          3HD2      LEU  31 -11.530  -5.601  -7.297
  236   1HG   LEU  31          1HG       LEU  31 -11.812  -7.910  -7.399
  237    H    THR  32           H        THR  32 -10.878 -11.417  -6.817
  238    HA   THR  32           HA       THR  32 -10.525 -12.319  -8.894
  239    HB   THR  32           HB       THR  32 -13.535 -12.062  -9.302
  240    HG1  THR  32           HG1      THR  32 -11.987 -14.118  -8.120
  241   1HG2  THR  32          1HG2      THR  32 -11.618 -14.148 -10.428
  242   2HG2  THR  32          2HG2      THR  32 -13.390 -14.125 -10.583
  243   3HG2  THR  32          3HG2      THR  32 -12.439 -12.892 -11.379
  244    H    ARG  33           H        ARG  33 -10.429  -9.380  -8.438
  245    HA   ARG  33           HA       ARG  33 -11.691  -7.734 -10.172
  246   1HB   ARG  33          1HB       ARG  33  -9.879  -7.185  -8.396
  247   2HB   ARG  33          2HB       ARG  33  -8.753  -7.256  -9.741
  248   1HG   ARG  33          1HG       ARG  33 -11.127  -5.569 -10.280
  249   2HG   ARG  33          2HG       ARG  33 -10.118  -5.015  -8.939
  250   1HD   ARG  33          1HD       ARG  33  -8.170  -4.872 -10.269
  251   2HD   ARG  33          2HD       ARG  33  -8.939  -5.696 -11.641
  252    HE   ARG  33           HNE      ARG  33 -10.582  -3.578 -11.357
  253   1HH1  ARG  33          2HH2      ARG  33  -7.084  -3.570 -11.435
  254   2HH1  ARG  33          1HH2      ARG  33  -6.988  -1.959 -12.089
  255   1HH2  ARG  33          2HH1      ARG  33 -10.437  -1.567 -12.295
  256   2HH2  ARG  33          1HH1      ARG  33  -8.873  -0.852 -12.556
  257    HA   PRO  34           HA       PRO  34 -10.113  -9.600 -13.984
  258   1HB   PRO  34          1HB       PRO  34 -12.204  -8.975 -15.662
  259   2HB   PRO  34          2HB       PRO  34 -12.199 -10.326 -14.501
  260   1HG   PRO  34          1HG       PRO  34 -13.601  -7.694 -14.284
  261   2HG   PRO  34          2HG       PRO  34 -14.048  -9.289 -13.606
  262   1HD   PRO  34          1HD       PRO  34 -12.774  -7.142 -12.239
  263   2HD   PRO  34          2HD       PRO  34 -12.978  -8.812 -11.651
  264    H    ARG  35           H        ARG  35  -8.575  -7.892 -13.472
  265    HA   ARG  35           HA       ARG  35  -8.586  -5.297 -14.623
  266   1HB   ARG  35          1HB       ARG  35  -6.236  -5.236 -14.169
  267   2HB   ARG  35          2HB       ARG  35  -7.019  -6.091 -12.861
  268   1HG   ARG  35          1HG       ARG  35  -5.294  -7.527 -13.105
  269   2HG   ARG  35          2HG       ARG  35  -6.328  -8.263 -14.305
  270   1HD   ARG  35          1HD       ARG  35  -4.826  -7.842 -15.944
  271   2HD   ARG  35          2HD       ARG  35  -4.818  -6.126 -15.600
  272    HE   ARG  35           HNE      ARG  35  -2.829  -8.065 -14.878
  273   1HH1  ARG  35          2HH2      ARG  35  -4.154  -5.034 -13.773
  274   2HH1  ARG  35          1HH2      ARG  35  -2.781  -4.653 -12.759
  275   1HH2  ARG  35          2HH1      ARG  35  -1.141  -7.620 -13.480
  276   2HH2  ARG  35          1HH1      ARG  35  -1.130  -6.150 -12.566
  277    H    TYR  36           H        TYR  36  -8.885  -4.850 -16.691
  278    HA   TYR  36           HA       TYR  36  -8.748  -4.871 -18.965
  279   1HB   TYR  36          1HB       TYR  36  -6.043  -5.874 -18.108
  280   2HB   TYR  36          2HB       TYR  36  -6.449  -6.063 -19.782
  281    HD1  TYR  36           HD1      TYR  36  -6.645  -4.183 -21.271
  282    HD2  TYR  36           HD2      TYR  36  -5.880  -3.590 -17.069
  283    HE1  TYR  36           HE1      TYR  36  -5.909  -1.865 -21.746
  284    HE2  TYR  36           HE2      TYR  36  -5.147  -1.242 -17.548
  285    HH   TYR  36           HH       TYR  36  -4.746  -0.039 -20.841
  286   1HN   NH2  37          1HN       NH2  37  -8.380  -6.455 -21.047
  287   2HN   NH2  37          2HN       NH2  37  -9.192  -7.998 -20.735
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1   0.072  13.974  17.087
    2   2H    ALA   1          2H        ALA   1  -0.909  14.206  15.787
    3   3H    ALA   1          3H        ALA   1  -1.064  12.841  16.694
    4    HA   ALA   1           HA       ALA   1   0.228  12.931  14.434
    5   1HB   ALA   1          1HB       ALA   1   2.024  14.256  16.286
    6   2HB   ALA   1          2HB       ALA   1   2.749  12.745  15.701
    7   3HB   ALA   1          3HB       ALA   1   2.190  13.954  14.545
    8    HA   PRO   2           HA       PRO   2   1.557   8.880  16.371
    9   1HB   PRO   2          1HB       PRO   2   1.523   8.434  19.100
   10   2HB   PRO   2          2HB       PRO   2   2.926   9.047  18.190
   11   1HG   PRO   2          1HG       PRO   2   1.049  10.553  19.967
   12   2HG   PRO   2          2HG       PRO   2   2.767  10.870  19.597
   13   1HD   PRO   2          1HD       PRO   2   0.516  12.164  18.478
   14   2HD   PRO   2          2HD       PRO   2   2.199  12.268  17.891
   15    H    LEU   3           H        LEU   3  -0.908  10.245  18.602
   16    HA   LEU   3           HA       LEU   3  -2.694   7.923  18.199
   17   1HB   LEU   3          1HB       LEU   3  -2.801  10.392  19.994
   18   2HB   LEU   3          2HB       LEU   3  -4.168   9.314  19.748
   19   1HD1  LEU   3          1HD1      LEU   3  -0.469   8.203  20.396
   20   2HD1  LEU   3          2HD1      LEU   3  -0.881   9.691  21.288
   21   3HD1  LEU   3          3HD1      LEU   3  -0.837   8.124  22.118
   22   1HD2  LEU   3          1HD2      LEU   3  -3.180   7.765  22.813
   23   2HD2  LEU   3          2HD2      LEU   3  -3.134   9.531  22.614
   24   3HD2  LEU   3          3HD2      LEU   3  -4.454   8.576  21.901
   25   1HG   LEU   3          1HG       LEU   3  -2.705   7.378  20.510
   26    H    GLU   4           H        GLU   4  -4.028   7.918  16.569
   27    HA   GLU   4           HA       GLU   4  -5.303   8.475  14.790
   28   1HB   GLU   4          1HB       GLU   4  -6.224  10.264  16.928
   29   2HB   GLU   4          2HB       GLU   4  -6.605  10.841  15.305
   30   1HG   GLU   4          1HG       GLU   4  -7.713   8.733  14.751
   31   2HG   GLU   4          2HG       GLU   4  -7.259   8.053  16.313
   32    HA   PRO   5           HA       PRO   5  -2.238  11.271  12.897
   33   1HB   PRO   5          1HB       PRO   5  -1.791   9.809  10.600
   34   2HB   PRO   5          2HB       PRO   5  -0.949   9.567  12.152
   35   1HG   PRO   5          1HG       PRO   5  -3.144   7.929  10.943
   36   2HG   PRO   5          2HG       PRO   5  -1.804   7.424  12.013
   37   1HD   PRO   5          1HD       PRO   5  -4.479   7.929  12.773
   38   2HD   PRO   5          2HD       PRO   5  -3.089   7.767  13.884
   39    H    GLU   6           H        GLU   6  -4.144  12.628  12.916
   40    HA   GLU   6           HA       GLU   6  -6.026  12.681  10.786
   41   1HB   GLU   6          1HB       GLU   6  -6.222  13.820  13.059
   42   2HB   GLU   6          2HB       GLU   6  -5.195  15.110  12.411
   43   1HG   GLU   6          1HG       GLU   6  -6.840  15.376  10.502
   44   2HG   GLU   6          2HG       GLU   6  -7.846  14.131  11.242
   45    H    TYR   7           H        TYR   7  -5.385  12.759   8.742
   46    HA   TYR   7           HA       TYR   7  -4.012  15.145   7.715
   47   1HB   TYR   7          1HB       TYR   7  -2.602  12.653   8.192
   48   2HB   TYR   7          2HB       TYR   7  -2.638  12.967   6.475
   49    HD1  TYR   7           HD1      TYR   7  -0.997  13.760   9.544
   50    HD2  TYR   7           HD2      TYR   7  -1.988  15.353   5.666
   51    HE1  TYR   7           HE1      TYR   7   0.887  15.396   9.730
   52    HE2  TYR   7           HE2      TYR   7  -0.134  17.012   5.872
   53    HH   TYR   7           HH       TYR   7   1.262  18.063   7.565
   54    HA   PRO   8           HA       PRO   8  -7.211  13.629   4.769
   55   1HB   PRO   8          1HB       PRO   8  -8.353  16.037   4.157
   56   2HB   PRO   8          2HB       PRO   8  -8.801  15.052   5.575
   57   1HG   PRO   8          1HG       PRO   8  -7.101  17.523   5.475
   58   2HG   PRO   8          2HG       PRO   8  -8.199  16.949   6.766
   59   1HD   PRO   8          1HD       PRO   8  -5.376  16.657   6.673
   60   2HD   PRO   8          2HD       PRO   8  -6.482  15.807   7.791
   61    H    GLY   9           H        GLY   9  -5.240  13.092   3.766
   62   1HA   GLY   9          1HA       GLY   9  -4.767  14.610   1.268
   63   2HA   GLY   9          2HA       GLY   9  -3.373  14.122   2.258
   64    H    ASP  10           H        ASP  10  -3.148  13.118  -0.067
   65    HA   ASP  10           HA       ASP  10  -3.341  10.291   0.156
   66   1HB   ASP  10          1HB       ASP  10  -4.604  10.049  -2.037
   67   2HB   ASP  10          2HB       ASP  10  -5.559  10.458  -0.629
   68    H    ASN  11           H        ASN  11  -2.402   9.398  -1.956
   69    HA   ASN  11           HA       ASN  11  -0.616   9.183  -3.315
   70   1HB   ASN  11          1HB       ASN  11  -2.313  10.712  -4.528
   71   2HB   ASN  11          2HB       ASN  11  -1.160  12.012  -4.229
   72   1HD2  ASN  11          1HD2      ASN  11   0.138  12.334  -6.059
   73   2HD2  ASN  11          2HD2      ASN  11   0.625  10.988  -7.095
   74    H    ALA  12           H        ALA  12   1.045   8.955  -1.817
   75    HA   ALA  12           HA       ALA  12   2.967  11.186  -1.713
   76   1HB   ALA  12          1HB       ALA  12   2.471  11.625   0.431
   77   2HB   ALA  12          2HB       ALA  12   1.381  10.240   0.571
   78   3HB   ALA  12          3HB       ALA  12   3.110  10.029   0.864
   79    H    THR  13           H        THR  13   4.980  10.198  -0.430
   80    HA   THR  13           HA       THR  13   6.310   8.393  -2.092
   81    HB   THR  13           HB       THR  13   7.883   8.172  -0.134
   82    HG1  THR  13           HG1      THR  13   7.370   9.272   1.731
   83   1HG2  THR  13          1HG2      THR  13   7.933  10.171  -1.715
   84   2HG2  THR  13          2HG2      THR  13   6.969  11.058  -0.515
   85   3HG2  THR  13          3HG2      THR  13   8.590  10.475  -0.096
   86    HA   PRO  14           HA       PRO  14   4.741   4.431  -0.862
   87   1HB   PRO  14          1HB       PRO  14   6.773   2.730  -1.600
   88   2HB   PRO  14          2HB       PRO  14   5.730   3.608  -2.741
   89   1HG   PRO  14          1HG       PRO  14   8.548   4.245  -1.921
   90   2HG   PRO  14          2HG       PRO  14   7.751   4.445  -3.510
   91   1HD   PRO  14          1HD       PRO  14   8.154   6.460  -1.586
   92   2HD   PRO  14          2HD       PRO  14   7.018   6.543  -2.962
   93    H    GLU  15           H        GLU  15   5.227   5.737   1.303
   94    HA   GLU  15           HA       GLU  15   6.917   4.171   3.195
   95   1HB   GLU  15          1HB       GLU  15   5.533   6.882   3.245
   96   2HB   GLU  15          2HB       GLU  15   6.010   6.110   4.755
   97   1HG   GLU  15          1HG       GLU  15   7.966   6.640   2.496
   98   2HG   GLU  15          2HG       GLU  15   7.679   7.740   3.846
   99    H    GLN  16           H        GLN  16   4.060   5.666   4.505
  100    HA   GLN  16           HA       GLN  16   3.242   3.184   5.601
  101   1HB   GLN  16          1HB       GLN  16   2.794   5.626   6.432
  102   2HB   GLN  16          2HB       GLN  16   1.400   5.590   5.345
  103   1HG   GLN  16          1HG       GLN  16   0.682   4.932   7.576
  104   2HG   GLN  16          2HG       GLN  16   0.583   3.521   6.524
  105   1HE2  GLN  16          1HE2      GLN  16   1.410   1.625   7.487
  106   2HE2  GLN  16          2HE2      GLN  16   2.651   1.707   8.742
  107    H    MET  17           H        MET  17   2.094   4.934   2.756
  108    HA   MET  17           HA       MET  17  -0.181   3.339   2.153
  109   1HB   MET  17          1HB       MET  17   1.270   5.459   0.882
  110   2HB   MET  17          2HB       MET  17   1.181   4.148  -0.291
  111   1HG   MET  17          1HG       MET  17  -1.152   5.362   1.230
  112   2HG   MET  17          2HG       MET  17  -0.730   5.719  -0.437
  113   1HE   MET  17          1HE       MET  17  -2.432   3.195  -2.518
  114   2HE   MET  17          2HE       MET  17  -1.491   4.690  -2.353
  115   3HE   MET  17          3HE       MET  17  -0.672   3.113  -2.280
  116    H    ALA  18           H        ALA  18   3.244   2.475   1.937
  117    HA   ALA  18           HA       ALA  18   3.110   0.458  -0.040
  118   1HB   ALA  18          1HB       ALA  18   5.160   1.430   1.092
  119   2HB   ALA  18          2HB       ALA  18   4.781   0.422   2.503
  120   3HB   ALA  18          3HB       ALA  18   5.155  -0.335   0.943
  121    H    GLN  19           H        GLN  19   1.963   0.483   3.303
  122    HA   GLN  19           HA       GLN  19   1.452  -2.369   3.520
  123   1HB   GLN  19          1HB       GLN  19   1.177   0.034   5.175
  124   2HB   GLN  19          2HB       GLN  19  -0.285  -0.920   5.273
  125   1HG   GLN  19          1HG       GLN  19   2.299  -2.436   5.528
  126   2HG   GLN  19          2HG       GLN  19   1.937  -1.281   6.801
  127   1HE2  GLN  19          1HE2      GLN  19   1.002  -2.309   8.543
  128   2HE2  GLN  19          2HE2      GLN  19  -0.220  -3.575   8.348
  129    H    TYR  20           H        TYR  20  -0.867   0.367   3.205
  130    HA   TYR  20           HA       TYR  20  -3.129  -1.180   2.534
  131   1HB   TYR  20          1HB       TYR  20  -2.316   1.673   2.371
  132   2HB   TYR  20          2HB       TYR  20  -3.506   1.207   1.182
  133    HD1  TYR  20           HD1      TYR  20  -5.689   1.627   1.721
  134    HD2  TYR  20           HD2      TYR  20  -2.959   0.519   4.879
  135    HE1  TYR  20           HE1      TYR  20  -7.495   1.940   3.391
  136    HE2  TYR  20           HE2      TYR  20  -4.780   0.836   6.550
  137    HH   TYR  20           HH       TYR  20  -7.914   2.213   5.671
  138    H    ALA  21           H        ALA  21  -0.696   0.231   0.283
  139    HA   ALA  21           HA       ALA  21  -1.922  -0.600  -2.151
  140   1HB   ALA  21          1HB       ALA  21  -0.115   0.972  -2.195
  141   2HB   ALA  21          2HB       ALA  21   0.967  -0.121  -1.311
  142   3HB   ALA  21          3HB       ALA  21   0.499  -0.497  -2.978
  143    H    ALA  22           H        ALA  22   0.479  -2.323  -0.049
  144    HA   ALA  22           HA       ALA  22   0.503  -4.708  -1.651
  145   1HB   ALA  22          1HB       ALA  22   1.602  -5.701   0.318
  146   2HB   ALA  22          2HB       ALA  22   2.298  -4.113  -0.067
  147   3HB   ALA  22          3HB       ALA  22   1.169  -4.282   1.293
  148    H    GLU  23           H        GLU  23  -1.641  -3.586   0.963
  149    HA   GLU  23           HA       GLU  23  -3.109  -6.025   1.278
  150   1HB   GLU  23          1HB       GLU  23  -3.047  -3.866   2.741
  151   2HB   GLU  23          2HB       GLU  23  -4.338  -3.291   1.691
  152   1HG   GLU  23          1HG       GLU  23  -4.337  -5.890   3.286
  153   2HG   GLU  23          2HG       GLU  23  -5.134  -4.401   3.782
  154    H    LEU  24           H        LEU  24  -3.778  -3.121  -0.756
  155    HA   LEU  24           HA       LEU  24  -6.119  -4.007  -1.987
  156   1HB   LEU  24          1HB       LEU  24  -5.176  -1.724  -2.270
  157   2HB   LEU  24          2HB       LEU  24  -3.875  -2.399  -3.248
  158   1HD1  LEU  24          1HD1      LEU  24  -7.886  -2.106  -4.740
  159   2HD1  LEU  24          2HD1      LEU  24  -7.600  -2.462  -3.030
  160   3HD1  LEU  24          3HD1      LEU  24  -7.219  -0.853  -3.664
  161   1HD2  LEU  24          1HD2      LEU  24  -4.102  -1.640  -5.339
  162   2HD2  LEU  24          2HD2      LEU  24  -5.593  -1.717  -6.272
  163   3HD2  LEU  24          3HD2      LEU  24  -5.370  -0.430  -5.060
  164   1HG   LEU  24          1HG       LEU  24  -5.900  -3.362  -4.716
  165    H    ARG  25           H        ARG  25  -2.765  -4.694  -3.087
  166    HA   ARG  25           HA       ARG  25  -3.294  -6.298  -5.343
  167   1HB   ARG  25          1HB       ARG  25  -1.064  -5.804  -4.840
  168   2HB   ARG  25          2HB       ARG  25  -1.157  -6.433  -3.205
  169   1HG   ARG  25          1HG       ARG  25  -1.544  -8.339  -5.532
  170   2HG   ARG  25          2HG       ARG  25   0.068  -7.767  -5.126
  171   1HD   ARG  25          1HD       ARG  25  -0.279  -8.555  -2.745
  172   2HD   ARG  25          2HD       ARG  25  -1.809  -9.260  -3.238
  173    HE   ARG  25           HNE      ARG  25  -0.747 -11.016  -4.213
  174   1HH1  ARG  25          2HH2      ARG  25   1.647  -8.547  -3.693
  175   2HH1  ARG  25          1HH2      ARG  25   3.009  -9.563  -4.091
  176   1HH2  ARG  25          2HH1      ARG  25   0.974 -12.328  -4.782
  177   2HH2  ARG  25          1HH1      ARG  25   2.593 -11.695  -4.743
  178    H    ARG  26           H        ARG  26  -3.748  -7.191  -1.966
  179    HA   ARG  26           HA       ARG  26  -4.334 -10.019  -2.577
  180   1HB   ARG  26          1HB       ARG  26  -5.032  -8.764   0.083
  181   2HB   ARG  26          2HB       ARG  26  -4.440 -10.381  -0.300
  182   1HG   ARG  26          1HG       ARG  26  -2.230  -9.044  -0.994
  183   2HG   ARG  26          2HG       ARG  26  -2.948  -7.789  -0.002
  184   1HD   ARG  26          1HD       ARG  26  -2.214  -8.716   1.863
  185   2HD   ARG  26          2HD       ARG  26  -3.016 -10.242   1.503
  186    HE   ARG  26           HNE      ARG  26  -0.206  -9.566   1.119
  187   1HH1  ARG  26          2HH2      ARG  26  -2.702 -11.665  -0.062
  188   2HH1  ARG  26          1HH2      ARG  26  -1.601 -12.860  -0.710
  189   1HH2  ARG  26          2HH1      ARG  26   1.236 -11.110   0.283
  190   2HH2  ARG  26          1HH1      ARG  26   0.621 -12.502  -0.537
  191    H    TYR  27           H        TYR  27  -6.073  -7.125  -1.489
  192    HA   TYR  27           HA       TYR  27  -8.697  -8.034  -1.461
  193   1HB   TYR  27          1HB       TYR  27  -7.548  -5.698  -0.939
  194   2HB   TYR  27          2HB       TYR  27  -8.090  -5.305  -2.565
  195    HD1  TYR  27           HD1      TYR  27  -9.232  -6.726   0.702
  196    HD2  TYR  27           HD2      TYR  27 -10.339  -4.515  -2.833
  197    HE1  TYR  27           HE1      TYR  27 -11.490  -6.297   1.677
  198    HE2  TYR  27           HE2      TYR  27 -12.581  -4.053  -1.841
  199    HH   TYR  27           HH       TYR  27 -14.106  -5.266  -0.067
  200    H    ILE  28           H        ILE  28  -6.841  -6.958  -4.305
  201    HA   ILE  28           HA       ILE  28  -8.891  -7.186  -6.280
  202    HB   ILE  28           HB       ILE  28  -5.884  -7.509  -6.432
  203   1HG1  ILE  28          1HG1      ILE  28  -7.644  -5.200  -7.380
  204   2HG1  ILE  28          2HG1      ILE  28  -6.911  -5.256  -5.795
  205   1HG2  ILE  28          1HG2      ILE  28  -6.941  -6.797  -9.026
  206   2HG2  ILE  28          2HG2      ILE  28  -5.963  -8.193  -8.557
  207   3HG2  ILE  28          3HG2      ILE  28  -7.722  -8.281  -8.523
  208   1HD1  ILE  28          1HD1      ILE  28  -4.638  -5.533  -6.938
  209   2HD1  ILE  28          2HD1      ILE  28  -5.460  -5.116  -8.455
  210   3HD1  ILE  28          3HD1      ILE  28  -5.430  -3.959  -7.115
  211    H    ASN  29           H        ASN  29  -6.460  -9.679  -5.292
  212    HA   ASN  29           HA       ASN  29  -7.568 -11.766  -6.923
  213   1HB   ASN  29          1HB       ASN  29  -5.250 -11.616  -5.765
  214   2HB   ASN  29          2HB       ASN  29  -6.066 -12.174  -4.306
  215   1HD2  ASN  29          1HD2      ASN  29  -4.844 -13.101  -7.499
  216   2HD2  ASN  29          2HD2      ASN  29  -5.249 -14.805  -7.284
  217    H    MET  30           H        MET  30  -8.310 -10.626  -3.676
  218    HA   MET  30           HA       MET  30 -10.278 -12.661  -3.012
  219   1HB   MET  30          1HB       MET  30  -9.193 -10.114  -1.846
  220   2HB   MET  30          2HB       MET  30 -10.759 -10.640  -1.271
  221   1HG   MET  30          1HG       MET  30  -8.453 -12.599  -1.426
  222   2HG   MET  30          2HG       MET  30  -8.581 -11.484  -0.068
  223   1HE   MET  30          1HE       MET  30 -10.247 -11.887   2.052
  224   2HE   MET  30          2HE       MET  30 -11.175 -11.017   0.816
  225   3HE   MET  30          3HE       MET  30 -11.905 -12.398   1.655
  226    H    LEU  31           H        LEU  31 -10.499  -9.833  -4.965
  227    HA   LEU  31           HA       LEU  31 -13.482  -9.896  -4.842
  228   1HB   LEU  31          1HB       LEU  31 -12.380  -7.810  -4.267
  229   2HB   LEU  31          2HB       LEU  31 -11.542  -7.741  -5.806
  230   1HD1  LEU  31          1HD1      LEU  31 -13.846  -6.094  -4.113
  231   2HD1  LEU  31          2HD1      LEU  31 -13.128  -5.231  -5.487
  232   3HD1  LEU  31          3HD1      LEU  31 -14.873  -5.572  -5.456
  233   1HD2  LEU  31          1HD2      LEU  31 -14.454  -7.205  -7.917
  234   2HD2  LEU  31          2HD2      LEU  31 -13.205  -5.979  -7.597
  235   3HD2  LEU  31          3HD2      LEU  31 -12.765  -7.671  -7.824
  236   1HG   LEU  31          1HG       LEU  31 -14.563  -7.899  -5.759
  237    H    THR  32           H        THR  32 -10.935 -11.163  -6.598
  238    HA   THR  32           HA       THR  32 -10.666 -12.085  -8.672
  239    HB   THR  32           HB       THR  32 -13.699 -12.111  -8.878
  240    HG1  THR  32           HG1      THR  32 -11.920 -13.860  -7.542
  241   1HG2  THR  32          1HG2      THR  32 -12.405 -13.027 -10.924
  242   2HG2  THR  32          2HG2      THR  32 -11.789 -14.281  -9.839
  243   3HG2  THR  32          3HG2      THR  32 -13.533 -14.112 -10.130
  244    H    ARG  33           H        ARG  33 -10.814  -9.153  -8.341
  245    HA   ARG  33           HA       ARG  33 -12.315  -7.724 -10.177
  246   1HB   ARG  33          1HB       ARG  33 -11.087  -6.465  -8.617
  247   2HB   ARG  33          2HB       ARG  33  -9.559  -7.169  -9.096
  248   1HG   ARG  33          1HG       ARG  33  -9.232  -5.725 -10.781
  249   2HG   ARG  33          2HG       ARG  33 -10.907  -5.772 -11.334
  250   1HD   ARG  33          1HD       ARG  33 -11.614  -4.054  -9.954
  251   2HD   ARG  33          2HD       ARG  33 -10.302  -4.296  -8.794
  252    HE   ARG  33           HNE      ARG  33  -9.043  -2.808  -9.931
  253   1HH1  ARG  33          2HH2      ARG  33 -11.160  -4.132 -12.410
  254   2HH1  ARG  33          1HH2      ARG  33 -10.454  -3.139 -13.648
  255   1HH2  ARG  33          2HH1      ARG  33  -8.121  -1.676 -11.550
  256   2HH2  ARG  33          1HH1      ARG  33  -8.609  -1.923 -13.174
  257    HA   PRO  34           HA       PRO  34 -10.470  -9.602 -13.830
  258   1HB   PRO  34          1HB       PRO  34 -12.539  -9.126 -15.600
  259   2HB   PRO  34          2HB       PRO  34 -12.479 -10.507 -14.466
  260   1HG   PRO  34          1HG       PRO  34 -14.131  -8.025 -14.301
  261   2HG   PRO  34          2HG       PRO  34 -14.436  -9.650 -13.615
  262   1HD   PRO  34          1HD       PRO  34 -13.392  -7.350 -12.268
  263   2HD   PRO  34          2HD       PRO  34 -13.534  -9.004 -11.622
  264    H    ARG  35           H        ARG  35  -9.429  -8.723 -15.485
  265    HA   ARG  35           HA       ARG  35  -8.318  -7.230 -16.790
  266   1HB   ARG  35          1HB       ARG  35 -10.724  -5.400 -16.384
  267   2HB   ARG  35          2HB       ARG  35  -9.457  -5.132 -17.555
  268   1HG   ARG  35          1HG       ARG  35 -10.141  -6.885 -18.946
  269   2HG   ARG  35          2HG       ARG  35 -10.926  -7.776 -17.646
  270   1HD   ARG  35          1HD       ARG  35 -12.612  -5.823 -17.526
  271   2HD   ARG  35          2HD       ARG  35 -11.996  -5.356 -19.111
  272    HE   ARG  35           HNE      ARG  35 -13.688  -7.636 -18.401
  273   1HH1  ARG  35          2HH2      ARG  35 -11.550  -6.490 -20.920
  274   2HH1  ARG  35          1HH2      ARG  35 -12.235  -7.534 -22.141
  275   1HH2  ARG  35          2HH1      ARG  35 -14.470  -9.042 -19.951
  276   2HH2  ARG  35          1HH1      ARG  35 -13.915  -8.906 -21.599
  277    H    TYR  36           H        TYR  36  -7.209  -5.179 -16.791
  278    HA   TYR  36           HA       TYR  36  -6.499  -4.248 -14.047
  279   1HB   TYR  36          1HB       TYR  36  -4.738  -5.311 -15.391
  280   2HB   TYR  36          2HB       TYR  36  -4.966  -4.137 -16.674
  281    HD1  TYR  36           HD1      TYR  36  -3.136  -4.927 -13.715
  282    HD2  TYR  36           HD2      TYR  36  -4.619  -1.592 -16.022
  283    HE1  TYR  36           HE1      TYR  36  -1.460  -3.416 -12.642
  284    HE2  TYR  36           HE2      TYR  36  -2.975  -0.103 -14.930
  285    HH   TYR  36           HH       TYR  36  -0.567  -0.513 -13.806
  286   1HN   NH2  37          1HN       NH2  37  -6.778  -2.744 -17.440
  287   2HN   NH2  37          2HN       NH2  37  -7.489  -1.299 -16.746
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1 -14.404  -2.367   8.533
    2   2H    ALA   1          2H        ALA   1 -15.705  -2.787   7.602
    3   3H    ALA   1          3H        ALA   1 -15.165  -1.244   7.577
    4    HA   ALA   1           HA       ALA   1 -16.554  -2.602   9.761
    5   1HB   ALA   1          1HB       ALA   1 -14.896  -1.498  10.986
    6   2HB   ALA   1          2HB       ALA   1 -14.786  -0.141   9.841
    7   3HB   ALA   1          3HB       ALA   1 -16.174  -0.273  10.928
    8    HA   PRO   2           HA       PRO   2 -19.981  -0.500   7.928
    9   1HB   PRO   2          1HB       PRO   2 -21.707  -0.145  10.046
   10   2HB   PRO   2          2HB       PRO   2 -21.376  -1.727   9.285
   11   1HG   PRO   2          1HG       PRO   2 -20.325  -0.610  11.871
   12   2HG   PRO   2          2HG       PRO   2 -20.721  -2.302  11.447
   13   1HD   PRO   2          1HD       PRO   2 -18.159  -1.156  11.487
   14   2HD   PRO   2          2HD       PRO   2 -18.590  -2.672  10.646
   15    H    LEU   3           H        LEU   3 -18.390   1.106  10.617
   16    HA   LEU   3           HA       LEU   3 -19.645   3.633  10.543
   17   1HB   LEU   3          1HB       LEU   3 -17.231   2.440  11.705
   18   2HB   LEU   3          2HB       LEU   3 -16.875   4.032  11.090
   19   1HD1  LEU   3          1HD1      LEU   3 -19.015   5.939  13.390
   20   2HD1  LEU   3          2HD1      LEU   3 -18.101   6.017  11.874
   21   3HD1  LEU   3          3HD1      LEU   3 -19.758   5.382  11.879
   22   1HD2  LEU   3          1HD2      LEU   3 -20.316   3.413  13.036
   23   2HD2  LEU   3          2HD2      LEU   3 -19.115   2.117  13.234
   24   3HD2  LEU   3          3HD2      LEU   3 -19.281   3.367  14.476
   25   1HG   LEU   3          1HG       LEU   3 -17.423   4.144  13.399
   26    H    GLU   4           H        GLU   4 -20.105   4.391   8.598
   27    HA   GLU   4           HA       GLU   4 -18.394   4.675   6.330
   28   1HB   GLU   4          1HB       GLU   4 -21.105   5.411   7.163
   29   2HB   GLU   4          2HB       GLU   4 -20.376   6.734   6.278
   30   1HG   GLU   4          1HG       GLU   4 -20.216   3.925   5.150
   31   2HG   GLU   4          2HG       GLU   4 -21.720   4.842   5.052
   32    HA   PRO   5           HA       PRO   5 -17.207   9.045   7.747
   33   1HB   PRO   5          1HB       PRO   5 -17.913  10.002  10.246
   34   2HB   PRO   5          2HB       PRO   5 -18.884  10.222   8.766
   35   1HG   PRO   5          1HG       PRO   5 -19.342   8.344  11.051
   36   2HG   PRO   5          2HG       PRO   5 -20.525   9.129   9.962
   37   1HD   PRO   5          1HD       PRO   5 -19.511   6.486   9.799
   38   2HD   PRO   5          2HD       PRO   5 -20.503   7.319   8.573
   39    H    GLU   6           H        GLU   6 -15.739   9.947   9.733
   40    HA   GLU   6           HA       GLU   6 -13.679   9.636  10.674
   41   1HB   GLU   6          1HB       GLU   6 -13.697   8.319  12.750
   42   2HB   GLU   6          2HB       GLU   6 -15.026   9.456  12.583
   43   1HG   GLU   6          1HG       GLU   6 -16.601   7.694  12.105
   44   2HG   GLU   6          2HG       GLU   6 -15.306   6.483  12.007
   45    H    TYR   7           H        TYR   7 -13.892   8.236   8.248
   46    HA   TYR   7           HA       TYR   7 -12.597   5.664   8.658
   47   1HB   TYR   7          1HB       TYR   7 -14.542   6.581   6.936
   48   2HB   TYR   7          2HB       TYR   7 -13.137   6.660   5.895
   49    HD1  TYR   7           HD1      TYR   7 -14.387   4.282   8.553
   50    HD2  TYR   7           HD2      TYR   7 -13.162   4.785   4.452
   51    HE1  TYR   7           HE1      TYR   7 -14.552   1.837   8.217
   52    HE2  TYR   7           HE2      TYR   7 -13.388   2.303   4.099
   53    HH   TYR   7           HH       TYR   7 -13.361   0.157   6.583
   54    HA   PRO   8           HA       PRO   8  -8.541   7.070   7.474
   55   1HB   PRO   8          1HB       PRO   8  -7.434   4.780   6.391
   56   2HB   PRO   8          2HB       PRO   8  -7.629   5.092   8.140
   57   1HG   PRO   8          1HG       PRO   8  -9.236   3.294   6.374
   58   2HG   PRO   8          2HG       PRO   8  -8.914   3.175   8.131
   59   1HD   PRO   8          1HD       PRO   8 -11.238   4.161   6.862
   60   2HD   PRO   8          2HD       PRO   8 -10.849   4.306   8.599
   61    H    GLY   9           H        GLY   9  -7.645   8.033   5.784
   62   1HA   GLY   9          1HA       GLY   9  -8.822   7.740   3.054
   63   2HA   GLY   9          2HA       GLY   9  -8.073   9.197   3.713
   64    H    ASP  10           H        ASP  10  -6.977   8.909   1.531
   65    HA   ASP  10           HA       ASP  10  -4.547   7.180   1.721
   66   1HB   ASP  10          1HB       ASP  10  -5.998   8.024  -0.806
   67   2HB   ASP  10          2HB       ASP  10  -4.616   6.935  -0.664
   68    H    ASN  11           H        ASN  11  -3.568   9.030   2.852
   69    HA   ASN  11           HA       ASN  11  -2.053  10.686   1.002
   70   1HB   ASN  11          1HB       ASN  11  -4.209  11.985   1.282
   71   2HB   ASN  11          2HB       ASN  11  -3.856  12.111   3.007
   72   1HD2  ASN  11          1HD2      ASN  11  -4.041  14.484   2.351
   73   2HD2  ASN  11          2HD2      ASN  11  -2.567  15.226   1.708
   74    H    ALA  12           H        ALA  12  -0.227   9.638   1.909
   75    HA   ALA  12           HA       ALA  12   0.801  10.918   4.237
   76   1HB   ALA  12          1HB       ALA  12  -0.703   8.864   5.071
   77   2HB   ALA  12          2HB       ALA  12   0.708   7.920   4.569
   78   3HB   ALA  12          3HB       ALA  12   0.874   9.207   5.788
   79    H    THR  13           H        THR  13   2.984   9.569   4.804
   80    HA   THR  13           HA       THR  13   4.784   9.951   2.715
   81    HB   THR  13           HB       THR  13   6.317   8.540   4.162
   82    HG1  THR  13           HG1      THR  13   4.899   7.110   5.103
   83   1HG2  THR  13          1HG2      THR  13   5.904  11.008   4.614
   84   2HG2  THR  13          2HG2      THR  13   4.688  10.507   5.817
   85   3HG2  THR  13          3HG2      THR  13   6.383  10.040   6.028
   86    HA   PRO  14           HA       PRO  14   4.330   6.436   0.127
   87   1HB   PRO  14          1HB       PRO  14   6.854   6.123  -0.958
   88   2HB   PRO  14          2HB       PRO  14   5.689   7.394  -1.416
   89   1HG   PRO  14          1HG       PRO  14   8.112   7.616   0.331
   90   2HG   PRO  14          2HG       PRO  14   7.382   8.832  -0.759
   91   1HD   PRO  14          1HD       PRO  14   7.075   8.702   2.032
   92   2HD   PRO  14          2HD       PRO  14   6.031   9.632   0.920
   93    H    GLU  15           H        GLU  15   6.353   6.261   2.891
   94    HA   GLU  15           HA       GLU  15   6.791   3.366   2.738
   95   1HB   GLU  15          1HB       GLU  15   7.846   3.542   4.851
   96   2HB   GLU  15          2HB       GLU  15   8.413   4.886   3.866
   97   1HG   GLU  15          1HG       GLU  15   6.993   6.446   5.054
   98   2HG   GLU  15          2HG       GLU  15   6.225   5.166   5.976
   99    H    GLN  16           H        GLN  16   4.119   5.378   3.652
  100    HA   GLN  16           HA       GLN  16   3.099   3.370   5.597
  101   1HB   GLN  16          1HB       GLN  16   3.082   5.922   6.011
  102   2HB   GLN  16          2HB       GLN  16   1.757   5.979   4.840
  103   1HG   GLN  16          1HG       GLN  16   0.475   4.352   6.237
  104   2HG   GLN  16          2HG       GLN  16   1.829   4.287   7.380
  105   1HE2  GLN  16          1HE2      GLN  16  -0.674   4.964   8.442
  106   2HE2  GLN  16          2HE2      GLN  16  -0.553   6.699   8.798
  107    H    MET  17           H        MET  17   2.071   5.061   2.593
  108    HA   MET  17           HA       MET  17  -0.261   3.479   2.140
  109   1HB   MET  17          1HB       MET  17   0.810   5.700   0.980
  110   2HB   MET  17          2HB       MET  17   1.234   4.506  -0.246
  111   1HG   MET  17          1HG       MET  17  -1.568   4.866   0.905
  112   2HG   MET  17          2HG       MET  17  -0.978   5.742  -0.501
  113   1HE   MET  17          1HE       MET  17  -3.657   3.381  -1.941
  114   2HE   MET  17          2HE       MET  17  -3.443   4.789  -0.883
  115   3HE   MET  17          3HE       MET  17  -2.756   4.798  -2.527
  116    H    ALA  18           H        ALA  18   3.134   2.744   1.611
  117    HA   ALA  18           HA       ALA  18   3.024   0.651  -0.218
  118   1HB   ALA  18          1HB       ALA  18   5.042   1.768   0.934
  119   2HB   ALA  18          2HB       ALA  18   4.779   0.633   2.270
  120   3HB   ALA  18          3HB       ALA  18   5.149   0.032   0.637
  121    H    GLN  19           H        GLN  19   1.990   0.643   3.164
  122    HA   GLN  19           HA       GLN  19   1.679  -2.248   3.403
  123   1HB   GLN  19          1HB       GLN  19   1.479   0.118   5.110
  124   2HB   GLN  19          2HB       GLN  19   0.052  -0.870   5.326
  125   1HG   GLN  19          1HG       GLN  19   2.686  -2.329   5.332
  126   2HG   GLN  19          2HG       GLN  19   2.404  -1.203   6.652
  127   1HE2  GLN  19          1HE2      GLN  19   1.481  -2.138   8.460
  128   2HE2  GLN  19          2HE2      GLN  19   0.310  -3.459   8.319
  129    H    TYR  20           H        TYR  20  -0.718   0.442   3.156
  130    HA   TYR  20           HA       TYR  20  -2.973  -1.226   2.712
  131   1HB   TYR  20          1HB       TYR  20  -2.293   1.662   2.269
  132   2HB   TYR  20          2HB       TYR  20  -3.644   1.040   1.346
  133    HD1  TYR  20           HD1      TYR  20  -5.159  -0.738   2.991
  134    HD2  TYR  20           HD2      TYR  20  -3.125   2.922   4.081
  135    HE1  TYR  20           HE1      TYR  20  -6.785  -0.374   4.815
  136    HE2  TYR  20           HE2      TYR  20  -4.783   3.294   5.890
  137    HH   TYR  20           HH       TYR  20  -6.981   2.642   6.541
  138    H    ALA  21           H        ALA  21  -0.708   0.191   0.305
  139    HA   ALA  21           HA       ALA  21  -1.993  -0.801  -2.019
  140   1HB   ALA  21          1HB       ALA  21   0.260  -0.498  -3.042
  141   2HB   ALA  21          2HB       ALA  21  -0.231   0.891  -2.051
  142   3HB   ALA  21          3HB       ALA  21   0.949  -0.271  -1.418
  143    H    ALA  22           H        ALA  22   0.479  -2.376   0.100
  144    HA   ALA  22           HA       ALA  22   0.523  -4.875  -1.327
  145   1HB   ALA  22          1HB       ALA  22   1.532  -5.684   0.865
  146   2HB   ALA  22          2HB       ALA  22   2.370  -4.324   0.089
  147   3HB   ALA  22          3HB       ALA  22   1.316  -4.039   1.488
  148    H    GLU  23           H        GLU  23  -1.894  -3.522   0.801
  149    HA   GLU  23           HA       GLU  23  -3.185  -6.135   1.263
  150   1HB   GLU  23          1HB       GLU  23  -3.258  -3.948   2.789
  151   2HB   GLU  23          2HB       GLU  23  -4.603  -3.530   1.715
  152   1HG   GLU  23          1HG       GLU  23  -5.551  -5.863   2.220
  153   2HG   GLU  23          2HG       GLU  23  -4.265  -6.048   3.410
  154    H    LEU  24           H        LEU  24  -3.675  -3.220  -0.783
  155    HA   LEU  24           HA       LEU  24  -6.023  -4.022  -2.063
  156   1HB   LEU  24          1HB       LEU  24  -4.017  -1.975  -2.461
  157   2HB   LEU  24          2HB       LEU  24  -4.354  -2.692  -4.019
  158   1HD1  LEU  24          1HD1      LEU  24  -6.719  -2.583  -4.993
  159   2HD1  LEU  24          2HD1      LEU  24  -7.466  -3.273  -3.541
  160   3HD1  LEU  24          3HD1      LEU  24  -7.965  -1.675  -4.111
  161   1HD2  LEU  24          1HD2      LEU  24  -7.338  -0.521  -1.889
  162   2HD2  LEU  24          2HD2      LEU  24  -7.059  -2.171  -1.298
  163   3HD2  LEU  24          3HD2      LEU  24  -5.790  -0.941  -1.136
  164   1HG   LEU  24          1HG       LEU  24  -5.742  -0.761  -3.651
  165    H    ARG  25           H        ARG  25  -2.706  -4.857  -3.033
  166    HA   ARG  25           HA       ARG  25  -3.226  -6.396  -5.355
  167   1HB   ARG  25          1HB       ARG  25  -0.969  -5.986  -4.663
  168   2HB   ARG  25          2HB       ARG  25  -1.204  -6.800  -3.105
  169   1HG   ARG  25          1HG       ARG  25  -1.453  -8.977  -4.222
  170   2HG   ARG  25          2HG       ARG  25  -1.441  -8.186  -5.807
  171   1HD   ARG  25          1HD       ARG  25   0.947  -7.331  -4.949
  172   2HD   ARG  25          2HD       ARG  25   0.798  -8.742  -3.880
  173    HE   ARG  25           HNE      ARG  25   0.209  -9.215  -6.726
  174   1HH1  ARG  25          2HH2      ARG  25   2.757  -9.358  -4.338
  175   2HH1  ARG  25          1HH2      ARG  25   3.786 -10.356  -5.331
  176   1HH2  ARG  25          2HH1      ARG  25   1.519 -10.491  -7.967
  177   2HH2  ARG  25          1HH1      ARG  25   3.116 -10.892  -7.416
  178    H    ARG  26           H        ARG  26  -3.685  -7.337  -1.993
  179    HA   ARG  26           HA       ARG  26  -4.352 -10.136  -2.634
  180   1HB   ARG  26          1HB       ARG  26  -5.012  -8.938   0.047
  181   2HB   ARG  26          2HB       ARG  26  -4.387 -10.535  -0.367
  182   1HG   ARG  26          1HG       ARG  26  -2.165  -9.268  -0.966
  183   2HG   ARG  26          2HG       ARG  26  -2.938  -7.897  -0.158
  184   1HD   ARG  26          1HD       ARG  26  -3.316  -9.804   1.732
  185   2HD   ARG  26          2HD       ARG  26  -1.828 -10.415   0.974
  186    HE   ARG  26           HNE      ARG  26  -1.409  -7.676   1.399
  187   1HH1  ARG  26          2HH2      ARG  26  -1.994 -10.477   3.380
  188   2HH1  ARG  26          1HH2      ARG  26  -1.265  -9.827   4.825
  189   1HH2  ARG  26          2HH1      ARG  26  -0.610  -6.742   3.350
  190   2HH2  ARG  26          1HH1      ARG  26  -0.519  -7.709   4.789
  191    H    TYR  27           H        TYR  27  -6.011  -7.222  -1.486
  192    HA   TYR  27           HA       TYR  27  -8.644  -8.114  -1.391
  193   1HB   TYR  27          1HB       TYR  27  -7.503  -5.787  -0.837
  194   2HB   TYR  27          2HB       TYR  27  -8.008  -5.371  -2.467
  195    HD1  TYR  27           HD1      TYR  27 -10.065  -4.187  -2.543
  196    HD2  TYR  27           HD2      TYR  27  -9.434  -7.128   0.556
  197    HE1  TYR  27           HE1      TYR  27 -12.266  -3.607  -1.531
  198    HE2  TYR  27           HE2      TYR  27 -11.658  -6.569   1.533
  199    HH   TYR  27           HH       TYR  27 -13.418  -3.751   0.673
  200    H    ILE  28           H        ILE  28  -6.889  -6.868  -4.246
  201    HA   ILE  28           HA       ILE  28  -8.904  -7.079  -6.203
  202    HB   ILE  28           HB       ILE  28  -5.891  -7.293  -6.226
  203   1HG1  ILE  28          1HG1      ILE  28  -7.725  -5.277  -7.580
  204   2HG1  ILE  28          2HG1      ILE  28  -7.232  -5.115  -5.896
  205   1HG2  ILE  28          1HG2      ILE  28  -6.223  -7.077  -8.841
  206   2HG2  ILE  28          2HG2      ILE  28  -6.181  -8.662  -8.067
  207   3HG2  ILE  28          3HG2      ILE  28  -7.732  -7.934  -8.508
  208   1HD1  ILE  28          1HD1      ILE  28  -5.755  -3.784  -7.250
  209   2HD1  ILE  28          2HD1      ILE  28  -4.836  -5.139  -6.575
  210   3HD1  ILE  28          3HD1      ILE  28  -5.337  -5.170  -8.275
  211    H    ASN  29           H        ASN  29  -6.505  -9.646  -5.372
  212    HA   ASN  29           HA       ASN  29  -7.665 -11.642  -7.055
  213   1HB   ASN  29          1HB       ASN  29  -5.349 -11.547  -5.856
  214   2HB   ASN  29          2HB       ASN  29  -6.190 -12.203  -4.453
  215   1HD2  ASN  29          1HD2      ASN  29  -4.650 -12.960  -7.459
  216   2HD2  ASN  29          2HD2      ASN  29  -5.174 -14.643  -7.462
  217    H    MET  30           H        MET  30  -8.285 -10.734  -3.679
  218    HA   MET  30           HA       MET  30 -10.358 -12.683  -3.152
  219   1HB   MET  30          1HB       MET  30  -9.317 -10.167  -1.843
  220   2HB   MET  30          2HB       MET  30 -10.829 -10.867  -1.287
  221   1HG   MET  30          1HG       MET  30  -9.709 -13.024  -0.882
  222   2HG   MET  30          2HG       MET  30  -8.188 -12.358  -1.484
  223   1HE   MET  30          1HE       MET  30 -10.283 -11.187   2.481
  224   2HE   MET  30          2HE       MET  30 -11.030 -10.922   0.894
  225   3HE   MET  30          3HE       MET  30 -10.729 -12.581   1.464
  226    H    LEU  31           H        LEU  31 -10.479  -9.879  -5.106
  227    HA   LEU  31           HA       LEU  31 -13.446  -9.784  -4.885
  228   1HB   LEU  31          1HB       LEU  31 -11.637  -7.688  -4.737
  229   2HB   LEU  31          2HB       LEU  31 -11.998  -7.678  -6.435
  230   1HD1  LEU  31          1HD1      LEU  31 -14.557  -6.180  -3.457
  231   2HD1  LEU  31          2HD1      LEU  31 -13.176  -7.203  -3.028
  232   3HD1  LEU  31          3HD1      LEU  31 -12.904  -5.667  -3.869
  233   1HD2  LEU  31          1HD2      LEU  31 -15.045  -5.825  -6.009
  234   2HD2  LEU  31          2HD2      LEU  31 -13.321  -5.434  -6.250
  235   3HD2  LEU  31          3HD2      LEU  31 -14.086  -6.746  -7.182
  236   1HG   LEU  31          1HG       LEU  31 -14.516  -7.961  -5.056
  237    H    THR  32           H        THR  32 -11.175 -11.340  -6.649
  238    HA   THR  32           HA       THR  32 -10.950 -12.183  -8.731
  239    HB   THR  32           HB       THR  32 -13.982 -12.048  -8.800
  240    HG1  THR  32           HG1      THR  32 -13.937 -13.855  -7.600
  241   1HG2  THR  32          1HG2      THR  32 -13.581 -13.111 -10.795
  242   2HG2  THR  32          2HG2      THR  32 -11.936 -13.604 -10.344
  243   3HG2  THR  32          3HG2      THR  32 -13.334 -14.520  -9.755
  244    H    ARG  33           H        ARG  33 -10.900  -9.253  -8.492
  245    HA   ARG  33           HA       ARG  33 -11.623  -8.471 -11.289
  246   1HB   ARG  33          1HB       ARG  33 -13.098  -7.564  -9.332
  247   2HB   ARG  33          2HB       ARG  33 -11.753  -6.468  -9.035
  248   1HG   ARG  33          1HG       ARG  33 -11.948  -6.121 -11.723
  249   2HG   ARG  33          2HG       ARG  33 -13.577  -6.740 -11.422
  250   1HD   ARG  33          1HD       ARG  33 -13.511  -4.886  -9.482
  251   2HD   ARG  33          2HD       ARG  33 -12.268  -4.179 -10.533
  252    HE   ARG  33           HNE      ARG  33 -14.370  -4.735 -12.249
  253   1HH1  ARG  33          2HH2      ARG  33 -14.110  -2.839  -9.357
  254   2HH1  ARG  33          1HH2      ARG  33 -15.332  -1.685  -9.833
  255   1HH2  ARG  33          2HH1      ARG  33 -16.069  -3.336 -12.806
  256   2HH2  ARG  33          1HH1      ARG  33 -16.530  -2.079 -11.725
  257    HA   PRO  34           HA       PRO  34  -7.120  -7.830 -10.686
  258   1HB   PRO  34          1HB       PRO  34  -6.365  -8.347 -13.294
  259   2HB   PRO  34          2HB       PRO  34  -6.496  -9.549 -11.979
  260   1HG   PRO  34          1HG       PRO  34  -8.371  -9.055 -14.251
  261   2HG   PRO  34          2HG       PRO  34  -8.055 -10.565 -13.345
  262   1HD   PRO  34          1HD       PRO  34 -10.245  -8.812 -13.009
  263   2HD   PRO  34          2HD       PRO  34  -9.763 -10.110 -11.878
  264    H    ARG  35           H        ARG  35  -5.842  -6.072 -11.173
  265    HA   ARG  35           HA       ARG  35  -7.232  -3.747 -12.312
  266   1HB   ARG  35          1HB       ARG  35  -5.232  -4.135 -10.320
  267   2HB   ARG  35          2HB       ARG  35  -4.399  -3.301 -11.628
  268   1HG   ARG  35          1HG       ARG  35  -5.955  -1.459 -11.576
  269   2HG   ARG  35          2HG       ARG  35  -7.097  -2.370 -10.580
  270   1HD   ARG  35          1HD       ARG  35  -6.224  -1.165  -8.886
  271   2HD   ARG  35          2HD       ARG  35  -5.035  -2.454  -8.874
  272    HE   ARG  35           HNE      ARG  35  -3.410  -0.978  -9.627
  273   1HH1  ARG  35          2HH2      ARG  35  -6.511   0.569 -10.117
  274   2HH1  ARG  35          1HH2      ARG  35  -5.807   2.120 -10.479
  275   1HH2  ARG  35          2HH1      ARG  35  -2.538   1.050 -10.064
  276   2HH2  ARG  35          1HH1      ARG  35  -3.600   2.378 -10.408
  277    H    TYR  36           H        TYR  36  -7.001  -3.081 -14.326
  278    HA   TYR  36           HA       TYR  36  -6.444  -3.009 -16.527
  279   1HB   TYR  36          1HB       TYR  36  -4.769  -1.583 -15.743
  280   2HB   TYR  36          2HB       TYR  36  -3.787  -2.889 -15.118
  281    HD1  TYR  36           HD1      TYR  36  -2.124  -3.928 -16.385
  282    HD2  TYR  36           HD2      TYR  36  -4.978  -1.345 -18.318
  283    HE1  TYR  36           HE1      TYR  36  -0.759  -3.993 -18.470
  284    HE2  TYR  36           HE2      TYR  36  -3.617  -1.410 -20.407
  285    HH   TYR  36           HH       TYR  36  -1.241  -1.797 -21.012
  286   1HN   NH2  37          1HN       NH2  37  -7.497  -5.120 -17.100
  287   2HN   NH2  37          2HN       NH2  37  -6.351  -6.414 -17.466
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1  -2.907  -5.186  13.122
    2   2H    ALA   1          2H        ALA   1  -2.411  -5.179  11.551
    3   3H    ALA   1          3H        ALA   1  -2.187  -3.846  12.498
    4    HA   ALA   1           HA       ALA   1  -4.183  -4.079  10.792
    5   1HB   ALA   1          1HB       ALA   1  -6.225  -4.676  12.036
    6   2HB   ALA   1          2HB       ALA   1  -5.113  -6.053  11.919
    7   3HB   ALA   1          3HB       ALA   1  -5.247  -5.146  13.441
    8    HA   PRO   2           HA       PRO   2  -3.781  -0.088  12.947
    9   1HB   PRO   2          1HB       PRO   2  -3.785   1.463  10.648
   10   2HB   PRO   2          2HB       PRO   2  -2.333   0.738  11.388
   11   1HG   PRO   2          1HG       PRO   2  -3.795  -0.113   8.929
   12   2HG   PRO   2          2HG       PRO   2  -2.081  -0.348   9.376
   13   1HD   PRO   2          1HD       PRO   2  -4.205  -2.242   9.573
   14   2HD   PRO   2          2HD       PRO   2  -2.546  -2.421  10.215
   15    H    LEU   3           H        LEU   3  -5.319   1.724  13.089
   16    HA   LEU   3           HA       LEU   3  -7.945   1.271  11.817
   17   1HB   LEU   3          1HB       LEU   3  -7.607   0.155  14.196
   18   2HB   LEU   3          2HB       LEU   3  -7.806   1.779  14.800
   19   1HD1  LEU   3          1HD1      LEU   3  -9.806  -0.746  15.156
   20   2HD1  LEU   3          2HD1      LEU   3 -11.033  -0.647  13.863
   21   3HD1  LEU   3          3HD1      LEU   3  -9.386  -1.162  13.476
   22   1HD2  LEU   3          1HD2      LEU   3  -9.829   2.028  15.722
   23   2HD2  LEU   3          2HD2      LEU   3 -10.563   2.816  14.322
   24   3HD2  LEU   3          3HD2      LEU   3 -11.345   1.416  15.034
   25   1HG   LEU   3          1HG       LEU   3  -9.904   1.188  12.821
   26    H    GLU   4           H        GLU   4  -8.340   3.100  10.805
   27    HA   GLU   4           HA       GLU   4  -8.172   5.707  12.190
   28   1HB   GLU   4          1HB       GLU   4  -6.399   4.833   9.972
   29   2HB   GLU   4          2HB       GLU   4  -7.138   6.407   9.739
   30   1HG   GLU   4          1HG       GLU   4  -5.985   7.431  11.349
   31   2HG   GLU   4          2HG       GLU   4  -6.091   6.108  12.490
   32    HA   PRO   5           HA       PRO   5 -12.042   5.257   9.745
   33   1HB   PRO   5          1HB       PRO   5 -13.774   5.983  11.772
   34   2HB   PRO   5          2HB       PRO   5 -13.235   4.308  11.467
   35   1HG   PRO   5          1HG       PRO   5 -12.381   6.190  13.628
   36   2HG   PRO   5          2HG       PRO   5 -12.419   4.403  13.624
   37   1HD   PRO   5          1HD       PRO   5 -10.164   6.095  13.197
   38   2HD   PRO   5          2HD       PRO   5 -10.219   4.333  12.951
   39    H    GLU   6           H        GLU   6 -12.885   6.958   8.660
   40    HA   GLU   6           HA       GLU   6 -13.034   9.056   7.780
   41   1HB   GLU   6          1HB       GLU   6 -13.849   9.438  10.629
   42   2HB   GLU   6          2HB       GLU   6 -13.626  10.878   9.647
   43   1HG   GLU   6          1HG       GLU   6 -15.239   8.643   8.438
   44   2HG   GLU   6          2HG       GLU   6 -15.951   9.502   9.793
   45    H    TYR   7           H        TYR   7 -11.012   9.190   6.939
   46    HA   TYR   7           HA       TYR   7  -9.002  10.817   8.413
   47   1HB   TYR   7          1HB       TYR   7  -7.300   9.600   7.235
   48   2HB   TYR   7          2HB       TYR   7  -8.333   8.507   8.135
   49    HD1  TYR   7           HD1      TYR   7  -6.930   9.281   4.907
   50    HD2  TYR   7           HD2      TYR   7 -10.141   7.161   6.859
   51    HE1  TYR   7           HE1      TYR   7  -7.394   8.067   2.799
   52    HE2  TYR   7           HE2      TYR   7 -10.658   5.992   4.711
   53    HH   TYR   7           HH       TYR   7  -8.913   6.708   1.698
   54    HA   PRO   8           HA       PRO   8 -10.297  13.270   4.709
   55   1HB   PRO   8          1HB       PRO   8 -10.675  15.710   5.941
   56   2HB   PRO   8          2HB       PRO   8 -11.933  14.456   5.746
   57   1HG   PRO   8          1HG       PRO   8 -10.367  15.173   8.198
   58   2HG   PRO   8          2HG       PRO   8 -12.034  14.535   8.054
   59   1HD   PRO   8          1HD       PRO   8  -9.727  13.040   8.698
   60   2HD   PRO   8          2HD       PRO   8 -11.307  12.389   8.169
   61    H    GLY   9           H        GLY   9  -8.474  13.437   3.620
   62   1HA   GLY   9          1HA       GLY   9  -6.750  15.198   2.980
   63   2HA   GLY   9          2HA       GLY   9  -6.165  15.061   4.638
   64    H    ASP  10           H        ASP  10  -5.686  13.951   1.497
   65    HA   ASP  10           HA       ASP  10  -4.441  11.382   2.341
   66   1HB   ASP  10          1HB       ASP  10  -6.055  11.283   0.455
   67   2HB   ASP  10          2HB       ASP  10  -5.040  12.400  -0.461
   68    H    ASN  11           H        ASN  11  -2.563  12.059   3.255
   69    HA   ASN  11           HA       ASN  11  -0.361  12.825   1.546
   70   1HB   ASN  11          1HB       ASN  11   0.185  14.949   2.644
   71   2HB   ASN  11          2HB       ASN  11  -1.320  15.052   1.743
   72   1HD2  ASN  11          1HD2      ASN  11  -0.546  16.924   3.761
   73   2HD2  ASN  11          2HD2      ASN  11  -1.724  16.674   5.073
   74    H    ALA  12           H        ALA  12   0.217  10.729   2.493
   75    HA   ALA  12           HA       ALA  12   1.576  11.138   5.107
   76   1HB   ALA  12          1HB       ALA  12   0.620   8.393   4.437
   77   2HB   ALA  12          2HB       ALA  12   0.807   9.222   6.000
   78   3HB   ALA  12          3HB       ALA  12  -0.597   9.566   4.985
   79    H    THR  13           H        THR  13   3.354   9.585   5.438
   80    HA   THR  13           HA       THR  13   5.345   9.915   3.501
   81    HB   THR  13           HB       THR  13   6.578   8.220   4.891
   82    HG1  THR  13           HG1      THR  13   5.467   7.444   6.719
   83   1HG2  THR  13          1HG2      THR  13   6.457  10.645   5.594
   84   2HG2  THR  13          2HG2      THR  13   5.106  10.202   6.665
   85   3HG2  THR  13          3HG2      THR  13   6.711   9.491   6.916
   86    HA   PRO  14           HA       PRO  14   4.544   6.724   0.613
   87   1HB   PRO  14          1HB       PRO  14   7.057   6.057  -0.333
   88   2HB   PRO  14          2HB       PRO  14   6.152   7.533  -0.767
   89   1HG   PRO  14          1HG       PRO  14   8.449   7.231   1.127
   90   2HG   PRO  14          2HG       PRO  14   7.991   8.629   0.109
   91   1HD   PRO  14          1HD       PRO  14   7.484   8.323   2.864
   92   2HD   PRO  14          2HD       PRO  14   6.695   9.512   1.788
   93    H    GLU  15           H        GLU  15   6.176   6.014   3.497
   94    HA   GLU  15           HA       GLU  15   6.288   3.097   3.143
   95   1HB   GLU  15          1HB       GLU  15   7.023   3.087   5.481
   96   2HB   GLU  15          2HB       GLU  15   7.988   4.214   4.519
   97   1HG   GLU  15          1HG       GLU  15   6.771   6.107   5.341
   98   2HG   GLU  15          2HG       GLU  15   5.626   5.100   6.237
   99    H    GLN  16           H        GLN  16   3.892   5.494   4.148
  100    HA   GLN  16           HA       GLN  16   2.453   3.659   5.885
  101   1HB   GLN  16          1HB       GLN  16   2.473   6.367   5.738
  102   2HB   GLN  16          2HB       GLN  16   1.098   6.063   4.677
  103   1HG   GLN  16          1HG       GLN  16   0.262   4.483   6.616
  104   2HG   GLN  16          2HG       GLN  16   1.461   5.332   7.600
  105   1HE2  GLN  16          1HE2      GLN  16  -1.576   5.707   5.718
  106   2HE2  GLN  16          2HE2      GLN  16  -1.966   7.236   6.512
  107    H    MET  17           H        MET  17   1.796   5.087   2.687
  108    HA   MET  17           HA       MET  17  -0.429   3.388   2.041
  109   1HB   MET  17          1HB       MET  17   0.904   5.632   0.887
  110   2HB   MET  17          2HB       MET  17   0.997   4.364  -0.325
  111   1HG   MET  17          1HG       MET  17  -1.657   4.826   1.041
  112   2HG   MET  17          2HG       MET  17  -1.071   6.037  -0.082
  113   1HE   MET  17          1HE       MET  17  -3.175   5.803  -1.643
  114   2HE   MET  17          2HE       MET  17  -1.587   6.117  -2.379
  115   3HE   MET  17          3HE       MET  17  -2.704   4.967  -3.144
  116    H    ALA  18           H        ALA  18   3.047   2.847   1.831
  117    HA   ALA  18           HA       ALA  18   3.184   0.788  -0.052
  118   1HB   ALA  18          1HB       ALA  18   4.700   0.775   2.586
  119   2HB   ALA  18          2HB       ALA  18   5.233   0.183   1.000
  120   3HB   ALA  18          3HB       ALA  18   5.074   1.914   1.282
  121    H    GLN  19           H        GLN  19   1.886   0.696   3.227
  122    HA   GLN  19           HA       GLN  19   1.685  -2.201   3.376
  123   1HB   GLN  19          1HB       GLN  19   1.607  -0.019   5.175
  124   2HB   GLN  19          2HB       GLN  19  -0.029  -0.648   5.229
  125   1HG   GLN  19          1HG       GLN  19   2.306  -2.581   5.413
  126   2HG   GLN  19          2HG       GLN  19   1.912  -1.573   6.797
  127   1HE2  GLN  19          1HE2      GLN  19  -0.104  -1.911   7.948
  128   2HE2  GLN  19          2HE2      GLN  19  -1.053  -3.360   7.548
  129    H    TYR  20           H        TYR  20  -0.864   0.339   3.286
  130    HA   TYR  20           HA       TYR  20  -3.040  -1.302   2.646
  131   1HB   TYR  20          1HB       TYR  20  -2.380   1.580   2.505
  132   2HB   TYR  20          2HB       TYR  20  -3.523   1.096   1.277
  133    HD1  TYR  20           HD1      TYR  20  -5.392  -0.698   2.256
  134    HD2  TYR  20           HD2      TYR  20  -3.412   2.460   4.438
  135    HE1  TYR  20           HE1      TYR  20  -7.359  -0.500   3.776
  136    HE2  TYR  20           HE2      TYR  20  -5.386   2.662   5.935
  137    HH   TYR  20           HH       TYR  20  -7.746   2.176   5.963
  138    H    ALA  21           H        ALA  21  -0.649   0.109   0.367
  139    HA   ALA  21           HA       ALA  21  -1.847  -0.759  -2.058
  140   1HB   ALA  21          1HB       ALA  21   0.493  -0.532  -2.925
  141   2HB   ALA  21          2HB       ALA  21  -0.036   0.867  -1.967
  142   3HB   ALA  21          3HB       ALA  21   1.065  -0.333  -1.253
  143    H    ALA  22           H        ALA  22   0.528  -2.434   0.092
  144    HA   ALA  22           HA       ALA  22   0.675  -4.845  -1.454
  145   1HB   ALA  22          1HB       ALA  22   2.316  -5.229   0.024
  146   2HB   ALA  22          2HB       ALA  22   1.841  -3.812   0.974
  147   3HB   ALA  22          3HB       ALA  22   1.134  -5.383   1.337
  148    H    GLU  23           H        GLU  23  -1.626  -3.683   0.935
  149    HA   GLU  23           HA       GLU  23  -3.070  -6.174   1.233
  150   1HB   GLU  23          1HB       GLU  23  -3.003  -3.832   2.631
  151   2HB   GLU  23          2HB       GLU  23  -4.510  -3.606   1.733
  152   1HG   GLU  23          1HG       GLU  23  -5.376  -5.738   2.582
  153   2HG   GLU  23          2HG       GLU  23  -3.830  -6.101   3.353
  154    H    LEU  24           H        LEU  24  -3.511  -3.275  -0.840
  155    HA   LEU  24           HA       LEU  24  -5.914  -4.044  -2.049
  156   1HB   LEU  24          1HB       LEU  24  -3.950  -1.990  -2.468
  157   2HB   LEU  24          2HB       LEU  24  -4.225  -2.735  -4.025
  158   1HD1  LEU  24          1HD1      LEU  24  -7.261  -3.417  -3.691
  159   2HD1  LEU  24          2HD1      LEU  24  -7.888  -1.832  -4.165
  160   3HD1  LEU  24          3HD1      LEU  24  -6.584  -2.583  -5.100
  161   1HD2  LEU  24          1HD2      LEU  24  -6.859  -2.246  -1.299
  162   2HD2  LEU  24          2HD2      LEU  24  -5.825  -0.806  -1.283
  163   3HD2  LEU  24          3HD2      LEU  24  -7.436  -0.733  -2.020
  164   1HG   LEU  24          1HG       LEU  24  -5.671  -0.823  -3.718
  165    H    ARG  25           H        ARG  25  -2.621  -4.863  -3.173
  166    HA   ARG  25           HA       ARG  25  -3.260  -6.474  -5.402
  167   1HB   ARG  25          1HB       ARG  25  -1.003  -6.041  -4.942
  168   2HB   ARG  25          2HB       ARG  25  -1.083  -6.670  -3.304
  169   1HG   ARG  25          1HG       ARG  25  -1.613  -8.590  -5.590
  170   2HG   ARG  25          2HG       ARG  25   0.040  -8.040  -5.310
  171   1HD   ARG  25          1HD       ARG  25  -0.065  -8.753  -2.965
  172   2HD   ARG  25          2HD       ARG  25  -1.711  -9.356  -3.194
  173    HE   ARG  25           HNE      ARG  25  -0.445 -10.752  -5.104
  174   1HH1  ARG  25          2HH2      ARG  25   0.323 -10.325  -1.750
  175   2HH1  ARG  25          1HH2      ARG  25   1.168 -11.848  -1.592
  176   1HH2  ARG  25          2HH1      ARG  25   0.723 -12.703  -4.942
  177   2HH2  ARG  25          1HH1      ARG  25   1.313 -13.181  -3.383
  178    H    ARG  26           H        ARG  26  -3.664  -7.305  -2.016
  179    HA   ARG  26           HA       ARG  26  -4.354 -10.123  -2.549
  180   1HB   ARG  26          1HB       ARG  26  -4.968  -8.794   0.097
  181   2HB   ARG  26          2HB       ARG  26  -4.423 -10.437  -0.263
  182   1HG   ARG  26          1HG       ARG  26  -2.200  -9.305  -1.017
  183   2HG   ARG  26          2HG       ARG  26  -2.849  -7.868  -0.207
  184   1HD   ARG  26          1HD       ARG  26  -2.687  -8.810   1.914
  185   2HD   ARG  26          2HD       ARG  26  -2.676 -10.466   1.259
  186    HE   ARG  26           HNE      ARG  26  -0.413  -8.706   0.535
  187   1HH1  ARG  26          2HH2      ARG  26  -1.538 -11.101   2.747
  188   2HH1  ARG  26          1HH2      ARG  26   0.033 -11.755   3.135
  189   1HH2  ARG  26          2HH1      ARG  26   1.690  -9.582   0.985
  190   2HH2  ARG  26          1HH1      ARG  26   1.812 -10.947   2.052
  191    H    TYR  27           H        TYR  27  -5.991  -7.156  -1.535
  192    HA   TYR  27           HA       TYR  27  -8.633  -8.047  -1.394
  193   1HB   TYR  27          1HB       TYR  27  -7.705  -5.773  -0.753
  194   2HB   TYR  27          2HB       TYR  27  -7.721  -5.358  -2.463
  195    HD1  TYR  27           HD1      TYR  27 -10.100  -6.969  -0.015
  196    HD2  TYR  27           HD2      TYR  27  -9.527  -3.991  -3.090
  197    HE1  TYR  27           HE1      TYR  27 -12.483  -6.280   0.195
  198    HE2  TYR  27           HE2      TYR  27 -11.902  -3.304  -2.866
  199    HH   TYR  27           HH       TYR  27 -14.045  -4.244  -2.085
  200    H    ILE  28           H        ILE  28  -6.897  -6.842  -4.285
  201    HA   ILE  28           HA       ILE  28  -8.947  -7.025  -6.202
  202    HB   ILE  28           HB       ILE  28  -5.963  -7.511  -6.456
  203   1HG1  ILE  28          1HG1      ILE  28  -7.605  -5.036  -7.229
  204   2HG1  ILE  28          2HG1      ILE  28  -6.818  -5.190  -5.691
  205   1HG2  ILE  28          1HG2      ILE  28  -7.633  -6.647  -8.799
  206   2HG2  ILE  28          2HG2      ILE  28  -6.047  -7.414  -8.787
  207   3HG2  ILE  28          3HG2      ILE  28  -7.476  -8.383  -8.471
  208   1HD1  ILE  28          1HD1      ILE  28  -5.351  -3.928  -7.122
  209   2HD1  ILE  28          2HD1      ILE  28  -4.607  -5.520  -6.878
  210   3HD1  ILE  28          3HD1      ILE  28  -5.439  -5.152  -8.402
  211    H    ASN  29           H        ASN  29  -6.602  -9.620  -5.353
  212    HA   ASN  29           HA       ASN  29  -7.747 -11.652  -7.001
  213   1HB   ASN  29          1HB       ASN  29  -5.469 -11.636  -5.867
  214   2HB   ASN  29          2HB       ASN  29  -6.286 -12.038  -4.351
  215   1HD2  ASN  29          1HD2      ASN  29  -4.319 -13.792  -5.247
  216   2HD2  ASN  29          2HD2      ASN  29  -5.162 -15.194  -5.912
  217    H    MET  30           H        MET  30  -8.327 -10.820  -3.567
  218    HA   MET  30           HA       MET  30 -10.475 -12.677  -3.082
  219   1HB   MET  30          1HB       MET  30  -9.434 -10.152  -1.774
  220   2HB   MET  30          2HB       MET  30 -10.915 -10.912  -1.202
  221   1HG   MET  30          1HG       MET  30  -9.761 -12.980  -0.713
  222   2HG   MET  30          2HG       MET  30  -8.278 -12.389  -1.470
  223   1HE   MET  30          1HE       MET  30 -10.858 -10.610   0.930
  224   2HE   MET  30          2HE       MET  30 -10.622 -12.163   1.763
  225   3HE   MET  30          3HE       MET  30 -10.012 -10.653   2.481
  226    H    LEU  31           H        LEU  31 -10.514  -9.915  -5.035
  227    HA   LEU  31           HA       LEU  31 -13.486  -9.688  -4.955
  228   1HB   LEU  31          1HB       LEU  31 -12.827  -7.536  -4.650
  229   2HB   LEU  31          2HB       LEU  31 -11.232  -7.818  -5.294
  230   1HD1  LEU  31          1HD1      LEU  31 -14.267  -7.092  -8.091
  231   2HD1  LEU  31          2HD1      LEU  31 -14.661  -7.712  -6.488
  232   3HD1  LEU  31          3HD1      LEU  31 -14.404  -5.971  -6.715
  233   1HD2  LEU  31          1HD2      LEU  31 -12.120  -5.227  -7.587
  234   2HD2  LEU  31          2HD2      LEU  31 -12.256  -5.250  -5.813
  235   3HD2  LEU  31          3HD2      LEU  31 -10.822  -5.922  -6.604
  236   1HG   LEU  31          1HG       LEU  31 -12.149  -7.694  -7.607
  237    H    THR  32           H        THR  32 -11.093 -11.380  -6.547
  238    HA   THR  32           HA       THR  32 -10.858 -12.379  -8.580
  239    HB   THR  32           HB       THR  32 -13.882 -12.139  -8.772
  240    HG1  THR  32           HG1      THR  32 -12.222 -13.539  -7.098
  241   1HG2  THR  32          1HG2      THR  32 -12.151 -13.415 -10.603
  242   2HG2  THR  32          2HG2      THR  32 -12.718 -14.719  -9.562
  243   3HG2  THR  32          3HG2      THR  32 -13.888 -13.681 -10.392
  244    H    ARG  33           H        ARG  33 -10.713  -9.440  -8.441
  245    HA   ARG  33           HA       ARG  33 -12.095  -7.915 -10.185
  246   1HB   ARG  33          1HB       ARG  33 -10.205  -7.180  -8.641
  247   2HB   ARG  33          2HB       ARG  33  -9.120  -7.660  -9.937
  248   1HG   ARG  33          1HG       ARG  33 -11.019  -6.023 -11.228
  249   2HG   ARG  33          2HG       ARG  33 -10.798  -5.235  -9.675
  250   1HD   ARG  33          1HD       ARG  33  -8.603  -4.626 -10.138
  251   2HD   ARG  33          2HD       ARG  33  -8.294  -6.063 -11.110
  252    HE   ARG  33           HNE      ARG  33  -9.071  -5.060 -13.002
  253   1HH1  ARG  33          2HH2      ARG  33  -9.943  -2.943 -10.363
  254   2HH1  ARG  33          1HH2      ARG  33 -10.515  -1.675 -11.406
  255   1HH2  ARG  33          2HH1      ARG  33  -9.782  -3.403 -14.332
  256   2HH2  ARG  33          1HH1      ARG  33 -10.401  -1.943 -13.619
  257    HA   PRO  34           HA       PRO  34 -10.920 -10.204 -13.897
  258   1HB   PRO  34          1HB       PRO  34 -13.117  -9.650 -15.484
  259   2HB   PRO  34          2HB       PRO  34 -13.040 -10.888 -14.205
  260   1HG   PRO  34          1HG       PRO  34 -14.350  -8.198 -14.122
  261   2HG   PRO  34          2HG       PRO  34 -14.784  -9.710 -13.266
  262   1HD   PRO  34          1HD       PRO  34 -13.374  -7.503 -12.189
  263   2HD   PRO  34          2HD       PRO  34 -13.517  -9.123 -11.464
  264    H    ARG  35           H        ARG  35  -9.166  -8.731 -14.023
  265    HA   ARG  35           HA       ARG  35  -9.424  -6.464 -15.922
  266   1HB   ARG  35          1HB       ARG  35  -7.963  -6.625 -13.668
  267   2HB   ARG  35          2HB       ARG  35  -6.781  -7.333 -14.771
  268   1HG   ARG  35          1HG       ARG  35  -7.421  -5.224 -16.290
  269   2HG   ARG  35          2HG       ARG  35  -8.013  -4.556 -14.783
  270   1HD   ARG  35          1HD       ARG  35  -5.935  -4.062 -14.072
  271   2HD   ARG  35          2HD       ARG  35  -5.325  -5.685 -14.441
  272    HE   ARG  35           HNE      ARG  35  -5.618  -4.476 -16.920
  273   1HH1  ARG  35          2HH2      ARG  35  -3.695  -3.843 -14.101
  274   2HH1  ARG  35          1HH2      ARG  35  -2.385  -3.107 -14.997
  275   1HH2  ARG  35          2HH1      ARG  35  -3.997  -3.468 -18.059
  276   2HH2  ARG  35          1HH1      ARG  35  -2.593  -2.872 -17.237
  277    H    TYR  36           H        TYR  36  -8.381  -9.765 -16.017
  278    HA   TYR  36           HA       TYR  36  -7.221  -9.447 -18.735
  279   1HB   TYR  36          1HB       TYR  36  -5.564 -11.127 -18.136
  280   2HB   TYR  36          2HB       TYR  36  -5.447  -9.752 -17.058
  281    HD1  TYR  36           HD1      TYR  36  -6.073  -9.948 -14.659
  282    HD2  TYR  36           HD2      TYR  36  -6.315 -13.326 -17.327
  283    HE1  TYR  36           HE1      TYR  36  -6.232 -11.469 -12.708
  284    HE2  TYR  36           HE2      TYR  36  -6.451 -14.860 -15.357
  285    HH   TYR  36           HH       TYR  36  -6.559 -13.661 -12.020
  286   1HN   NH2  37          1HN       NH2  37  -7.442 -11.497 -20.108
  287   2HN   NH2  37          2HN       NH2  37  -8.804 -12.524 -19.670
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1   7.707  10.696  12.464
    2   2H    ALA   1          2H        ALA   1   9.026  10.033  13.192
    3   3H    ALA   1          3H        ALA   1   9.221  10.935  11.831
    4    HA   ALA   1           HA       ALA   1   7.970   9.353  10.552
    5   1HB   ALA   1          1HB       ALA   1  10.097   8.819  10.081
    6   2HB   ALA   1          2HB       ALA   1  10.609   8.753  11.776
    7   3HB   ALA   1          3HB       ALA   1   9.766   7.372  11.039
    8    HA   PRO   2           HA       PRO   2   6.671   5.715  13.221
    9   1HB   PRO   2          1HB       PRO   2   7.284   5.548  15.921
   10   2HB   PRO   2          2HB       PRO   2   8.259   4.838  14.607
   11   1HG   PRO   2          1HG       PRO   2   8.804   7.281  16.235
   12   2HG   PRO   2          2HG       PRO   2   9.948   6.194  15.395
   13   1HD   PRO   2          1HD       PRO   2   9.018   8.726  14.519
   14   2HD   PRO   2          2HD       PRO   2   9.959   7.540  13.567
   15    H    LEU   3           H        LEU   3   6.847   8.649  15.253
   16    HA   LEU   3           HA       LEU   3   4.004   8.344  15.995
   17   1HB   LEU   3          1HB       LEU   3   6.065   8.771  17.615
   18   2HB   LEU   3          2HB       LEU   3   5.812  10.456  17.195
   19   1HD1  LEU   3          1HD1      LEU   3   4.912  10.175  20.211
   20   2HD1  LEU   3          2HD1      LEU   3   3.849   8.757  20.253
   21   3HD1  LEU   3          3HD1      LEU   3   5.512   8.589  19.694
   22   1HD2  LEU   3          1HD2      LEU   3   4.132  11.701  18.434
   23   2HD2  LEU   3          2HD2      LEU   3   2.954  11.045  17.280
   24   3HD2  LEU   3          3HD2      LEU   3   2.656  10.902  19.016
   25   1HG   LEU   3          1HG       LEU   3   3.438   8.757  18.025
   26    H    GLU   4           H        GLU   4   2.756   9.157  14.544
   27    HA   GLU   4           HA       GLU   4   1.649  10.522  13.193
   28   1HB   GLU   4          1HB       GLU   4   2.641  12.256  15.124
   29   2HB   GLU   4          2HB       GLU   4   3.179  13.022  13.647
   30   1HG   GLU   4          1HG       GLU   4   1.108  13.806  13.231
   31   2HG   GLU   4          2HG       GLU   4   0.366  12.219  13.405
   32    HA   PRO   5           HA       PRO   5   4.076  10.560   9.496
   33   1HB   PRO   5          1HB       PRO   5   2.538  12.112   7.773
   34   2HB   PRO   5          2HB       PRO   5   2.235  10.400   8.180
   35   1HG   PRO   5          1HG       PRO   5   0.770  12.819   9.105
   36   2HG   PRO   5          2HG       PRO   5   0.220  11.120   9.005
   37   1HD   PRO   5          1HD       PRO   5   1.116  12.554  11.296
   38   2HD   PRO   5          2HD       PRO   5   0.713  10.811  11.213
   39    H    GLU   6           H        GLU   6   5.697  11.723   8.554
   40    HA   GLU   6           HA       GLU   6   6.164  14.486   9.526
   41   1HB   GLU   6          1HB       GLU   6   8.469  14.110   8.682
   42   2HB   GLU   6          2HB       GLU   6   7.980  13.108  10.041
   43   1HG   GLU   6          1HG       GLU   6   7.861  11.138   8.767
   44   2HG   GLU   6          2HG       GLU   6   7.797  11.976   7.229
   45    H    TYR   7           H        TYR   7   4.683  15.565   8.207
   46    HA   TYR   7           HA       TYR   7   5.350  15.650   5.298
   47   1HB   TYR   7          1HB       TYR   7   3.087  16.275   4.875
   48   2HB   TYR   7          2HB       TYR   7   3.163  14.746   5.729
   49    HD1  TYR   7           HD1      TYR   7   1.847  18.112   5.748
   50    HD2  TYR   7           HD2      TYR   7   2.640  14.698   8.243
   51    HE1  TYR   7           HE1      TYR   7   0.380  19.067   7.528
   52    HE2  TYR   7           HE2      TYR   7   1.213  15.649  10.032
   53    HH   TYR   7           HH       TYR   7  -0.518  17.263  10.392
   54    HA   PRO   8           HA       PRO   8   6.568  19.806   6.826
   55   1HB   PRO   8          1HB       PRO   8   8.810  20.124   5.248
   56   2HB   PRO   8          2HB       PRO   8   8.790  19.351   6.856
   57   1HG   PRO   8          1HG       PRO   8   8.989  18.059   4.167
   58   2HG   PRO   8          2HG       PRO   8   9.612  17.506   5.750
   59   1HD   PRO   8          1HD       PRO   8   7.242  16.635   4.438
   60   2HD   PRO   8          2HD       PRO   8   7.734  16.281   6.119
   61    H    GLY   9           H        GLY   9   5.314  18.513   4.025
   62   1HA   GLY   9          1HA       GLY   9   4.079  20.904   3.177
   63   2HA   GLY   9          2HA       GLY   9   5.404  20.530   2.058
   64    H    ASP  10           H        ASP  10   4.912  19.183   0.371
   65    HA   ASP  10           HA       ASP  10   2.554  17.406   0.515
   66   1HB   ASP  10          1HB       ASP  10   2.423  18.068  -1.983
   67   2HB   ASP  10          2HB       ASP  10   1.790  19.128  -0.741
   68    H    ASN  11           H        ASN  11   3.896  15.669   1.082
   69    HA   ASN  11           HA       ASN  11   4.930  14.143  -1.134
   70   1HB   ASN  11          1HB       ASN  11   7.277  14.017  -0.429
   71   2HB   ASN  11          2HB       ASN  11   6.848  15.627  -0.965
   72   1HD2  ASN  11          1HD2      ASN  11   8.471  13.947   1.459
   73   2HD2  ASN  11          2HD2      ASN  11   8.450  15.258   2.632
   74    H    ALA  12           H        ALA  12   3.302  12.758  -0.194
   75    HA   ALA  12           HA       ALA  12   4.044  11.408   2.354
   76   1HB   ALA  12          1HB       ALA  12   1.785  11.670   2.451
   77   2HB   ALA  12          2HB       ALA  12   1.549  11.561   0.692
   78   3HB   ALA  12          3HB       ALA  12   1.858  10.094   1.647
   79    H    THR  13           H        THR  13   6.045  10.730   1.536
   80    HA   THR  13           HA       THR  13   6.606   9.106  -0.659
   81    HB   THR  13           HB       THR  13   8.457   8.182   0.802
   82    HG1  THR  13           HG1      THR  13   8.413   8.583   2.928
   83   1HG2  THR  13          1HG2      THR  13   8.631  10.419  -0.423
   84   2HG2  THR  13          2HG2      THR  13   8.185  11.200   1.113
   85   3HG2  THR  13          3HG2      THR  13   9.672  10.242   1.003
   86    HA   PRO  14           HA       PRO  14   4.513   5.306   0.240
   87   1HB   PRO  14          1HB       PRO  14   5.937   3.462  -1.235
   88   2HB   PRO  14          2HB       PRO  14   4.870   4.708  -1.917
   89   1HG   PRO  14          1HG       PRO  14   7.864   4.682  -1.797
   90   2HG   PRO  14          2HG       PRO  14   6.777   5.376  -3.036
   91   1HD   PRO  14          1HD       PRO  14   8.067   6.775  -0.942
   92   2HD   PRO  14          2HD       PRO  14   6.738   7.392  -1.963
   93    H    GLU  15           H        GLU  15   5.808   6.058   2.414
   94    HA   GLU  15           HA       GLU  15   7.343   3.757   3.511
   95   1HB   GLU  15          1HB       GLU  15   7.949   5.207   5.288
   96   2HB   GLU  15          2HB       GLU  15   8.171   6.083   3.785
   97   1HG   GLU  15          1HG       GLU  15   6.950   7.774   4.603
   98   2HG   GLU  15          2HG       GLU  15   5.530   6.756   4.606
   99    H    GLN  16           H        GLN  16   4.209   5.098   3.506
  100    HA   GLN  16           HA       GLN  16   3.281   3.194   5.621
  101   1HB   GLN  16          1HB       GLN  16   3.198   5.807   6.055
  102   2HB   GLN  16          2HB       GLN  16   1.817   5.770   4.964
  103   1HG   GLN  16          1HG       GLN  16   0.915   5.530   7.158
  104   2HG   GLN  16          2HG       GLN  16   0.842   3.910   6.460
  105   1HE2  GLN  16          1HE2      GLN  16   2.750   6.026   8.672
  106   2HE2  GLN  16          2HE2      GLN  16   3.502   4.669   9.487
  107    H    MET  17           H        MET  17   2.183   4.998   2.692
  108    HA   MET  17           HA       MET  17  -0.090   3.406   2.187
  109   1HB   MET  17          1HB       MET  17   1.264   5.554   0.884
  110   2HB   MET  17          2HB       MET  17   1.172   4.256  -0.307
  111   1HG   MET  17          1HG       MET  17  -1.173   5.362   1.287
  112   2HG   MET  17          2HG       MET  17  -0.778   5.757  -0.389
  113   1HE   MET  17          1HE       MET  17  -2.940   5.153  -1.545
  114   2HE   MET  17          2HE       MET  17  -3.917   3.715  -1.178
  115   3HE   MET  17          3HE       MET  17  -3.674   4.963   0.068
  116    H    ALA  18           H        ALA  18   3.290   2.621   1.660
  117    HA   ALA  18           HA       ALA  18   3.102   0.515  -0.203
  118   1HB   ALA  18          1HB       ALA  18   4.917   0.924   2.217
  119   2HB   ALA  18          2HB       ALA  18   5.179  -0.296   0.950
  120   3HB   ALA  18          3HB       ALA  18   5.214   1.421   0.533
  121    H    GLN  19           H        GLN  19   2.074   0.584   3.189
  122    HA   GLN  19           HA       GLN  19   1.728  -2.313   3.404
  123   1HB   GLN  19          1HB       GLN  19   1.645   0.015   5.157
  124   2HB   GLN  19          2HB       GLN  19   0.162  -0.889   5.357
  125   1HG   GLN  19          1HG       GLN  19   2.691  -2.520   5.327
  126   2HG   GLN  19          2HG       GLN  19   2.512  -1.387   6.656
  127   1HE2  GLN  19          1HE2      GLN  19   0.586  -1.525   8.045
  128   2HE2  GLN  19          2HE2      GLN  19  -0.194  -3.097   8.204
  129    H    TYR  20           H        TYR  20  -0.578   0.443   3.229
  130    HA   TYR  20           HA       TYR  20  -2.943  -1.088   2.837
  131   1HB   TYR  20          1HB       TYR  20  -2.068   1.745   2.443
  132   2HB   TYR  20          2HB       TYR  20  -3.441   1.240   1.486
  133    HD1  TYR  20           HD1      TYR  20  -5.553   1.550   2.346
  134    HD2  TYR  20           HD2      TYR  20  -2.268   0.953   5.083
  135    HE1  TYR  20           HE1      TYR  20  -7.082   1.934   4.261
  136    HE2  TYR  20           HE2      TYR  20  -3.822   1.332   7.004
  137    HH   TYR  20           HH       TYR  20  -7.227   1.407   6.676
  138    H    ALA  21           H        ALA  21  -0.663   0.225   0.396
  139    HA   ALA  21           HA       ALA  21  -2.047  -0.640  -1.935
  140   1HB   ALA  21          1HB       ALA  21   0.897  -0.143  -1.315
  141   2HB   ALA  21          2HB       ALA  21   0.290  -0.499  -2.943
  142   3HB   ALA  21          3HB       ALA  21  -0.261   0.962  -2.091
  143    H    ALA  22           H        ALA  22   0.474  -2.323   0.046
  144    HA   ALA  22           HA       ALA  22   0.467  -4.745  -1.467
  145   1HB   ALA  22          1HB       ALA  22   2.261  -4.198   0.099
  146   2HB   ALA  22          2HB       ALA  22   1.124  -4.212   1.461
  147   3HB   ALA  22          3HB       ALA  22   1.477  -5.714   0.593
  148    H    GLU  23           H        GLU  23  -1.888  -3.454   0.785
  149    HA   GLU  23           HA       GLU  23  -3.257  -5.969   1.254
  150   1HB   GLU  23          1HB       GLU  23  -3.329  -3.547   2.548
  151   2HB   GLU  23          2HB       GLU  23  -4.783  -3.430   1.550
  152   1HG   GLU  23          1HG       GLU  23  -5.198  -5.917   2.432
  153   2HG   GLU  23          2HG       GLU  23  -4.059  -5.441   3.689
  154    H    LEU  24           H        LEU  24  -3.885  -3.091  -0.829
  155    HA   LEU  24           HA       LEU  24  -6.228  -4.014  -2.077
  156   1HB   LEU  24          1HB       LEU  24  -4.247  -1.919  -2.628
  157   2HB   LEU  24          2HB       LEU  24  -4.742  -2.705  -4.116
  158   1HD1  LEU  24          1HD1      LEU  24  -6.574  -1.719  -0.959
  159   2HD1  LEU  24          2HD1      LEU  24  -5.765  -0.276  -1.605
  160   3HD1  LEU  24          3HD1      LEU  24  -7.527  -0.478  -1.782
  161   1HD2  LEU  24          1HD2      LEU  24  -5.372  -0.625  -4.724
  162   2HD2  LEU  24          2HD2      LEU  24  -7.066  -1.042  -5.031
  163   3HD2  LEU  24          3HD2      LEU  24  -6.662   0.284  -3.927
  164   1HG   LEU  24          1HG       LEU  24  -7.189  -2.397  -3.268
  165    H    ARG  25           H        ARG  25  -2.878  -4.707  -3.024
  166    HA   ARG  25           HA       ARG  25  -3.295  -6.301  -5.328
  167   1HB   ARG  25          1HB       ARG  25  -1.060  -5.806  -4.655
  168   2HB   ARG  25          2HB       ARG  25  -1.295  -6.506  -3.046
  169   1HG   ARG  25          1HG       ARG  25  -1.490  -8.758  -3.999
  170   2HG   ARG  25          2HG       ARG  25  -1.348  -8.113  -5.637
  171   1HD   ARG  25          1HD       ARG  25   0.898  -8.226  -5.514
  172   2HD   ARG  25          2HD       ARG  25   0.916  -7.209  -4.075
  173    HE   ARG  25           HNE      ARG  25   1.261  -9.057  -2.776
  174   1HH1  ARG  25          2HH2      ARG  25   0.047 -10.249  -5.832
  175   2HH1  ARG  25          1HH2      ARG  25   0.197 -11.928  -5.378
  176   1HH2  ARG  25          2HH1      ARG  25   1.473 -11.221  -2.241
  177   2HH2  ARG  25          1HH1      ARG  25   0.961 -12.459  -3.357
  178    H    ARG  26           H        ARG  26  -3.777  -7.205  -1.948
  179    HA   ARG  26           HA       ARG  26  -4.335 -10.036  -2.549
  180   1HB   ARG  26          1HB       ARG  26  -5.092  -8.799   0.098
  181   2HB   ARG  26          2HB       ARG  26  -4.437 -10.391  -0.273
  182   1HG   ARG  26          1HG       ARG  26  -2.266  -8.962  -0.943
  183   2HG   ARG  26          2HG       ARG  26  -3.070  -7.741   0.035
  184   1HD   ARG  26          1HD       ARG  26  -2.248  -8.614   1.888
  185   2HD   ARG  26          2HD       ARG  26  -3.095 -10.130   1.591
  186    HE   ARG  26           HNE      ARG  26  -0.278  -9.528   1.152
  187   1HH1  ARG  26          2HH2      ARG  26  -2.828 -11.612   0.059
  188   2HH1  ARG  26          1HH2      ARG  26  -1.770 -12.863  -0.546
  189   1HH2  ARG  26          2HH1      ARG  26   1.107 -11.179   0.499
  190   2HH2  ARG  26          1HH1      ARG  26   0.464 -12.641  -0.213
  191    H    TYR  27           H        TYR  27  -6.093  -7.150  -1.511
  192    HA   TYR  27           HA       TYR  27  -8.706  -8.114  -1.430
  193   1HB   TYR  27          1HB       TYR  27  -7.648  -5.738  -0.937
  194   2HB   TYR  27          2HB       TYR  27  -8.117  -5.397  -2.596
  195    HD1  TYR  27           HD1      TYR  27  -9.545  -6.977   0.520
  196    HD2  TYR  27           HD2      TYR  27 -10.239  -4.393  -2.867
  197    HE1  TYR  27           HE1      TYR  27 -11.822  -6.475   1.374
  198    HE2  TYR  27           HE2      TYR  27 -12.510  -3.854  -1.977
  199    HH   TYR  27           HH       TYR  27 -13.476  -4.512   1.171
  200    H    ILE  28           H        ILE  28  -6.903  -6.947  -4.285
  201    HA   ILE  28           HA       ILE  28  -8.882  -7.250  -6.269
  202    HB   ILE  28           HB       ILE  28  -5.865  -7.390  -6.243
  203   1HG1  ILE  28          1HG1      ILE  28  -7.720  -5.505  -7.740
  204   2HG1  ILE  28          2HG1      ILE  28  -7.287  -5.234  -6.054
  205   1HG2  ILE  28          1HG2      ILE  28  -7.664  -8.125  -8.546
  206   2HG2  ILE  28          2HG2      ILE  28  -6.109  -7.335  -8.850
  207   3HG2  ILE  28          3HG2      ILE  28  -6.154  -8.885  -8.017
  208   1HD1  ILE  28          1HD1      ILE  28  -5.220  -5.458  -8.287
  209   2HD1  ILE  28          2HD1      ILE  28  -5.840  -3.950  -7.605
  210   3HD1  ILE  28          3HD1      ILE  28  -4.923  -5.073  -6.583
  211    H    ASN  29           H        ASN  29  -6.467  -9.760  -5.313
  212    HA   ASN  29           HA       ASN  29  -7.571 -11.822  -6.971
  213   1HB   ASN  29          1HB       ASN  29  -5.288 -11.688  -5.783
  214   2HB   ASN  29          2HB       ASN  29  -6.119 -12.217  -4.320
  215   1HD2  ASN  29          1HD2      ASN  29  -4.037 -13.462  -6.408
  216   2HD2  ASN  29          2HD2      ASN  29  -4.799 -15.055  -6.560
  217    H    MET  30           H        MET  30  -8.325 -10.731  -3.694
  218    HA   MET  30           HA       MET  30 -10.369 -12.722  -3.128
  219   1HB   MET  30          1HB       MET  30  -9.303 -10.197  -1.866
  220   2HB   MET  30          2HB       MET  30 -10.830 -10.841  -1.290
  221   1HG   MET  30          1HG       MET  30  -8.665 -12.864  -1.626
  222   2HG   MET  30          2HG       MET  30  -8.347 -11.637  -0.407
  223   1HE   MET  30          1HE       MET  30 -10.037 -10.796   1.144
  224   2HE   MET  30          2HE       MET  30 -11.115 -11.834   2.100
  225   3HE   MET  30          3HE       MET  30  -9.348 -12.028   2.222
  226    H    LEU  31           H        LEU  31 -10.455 -10.000  -5.164
  227    HA   LEU  31           HA       LEU  31 -13.421  -9.889  -5.005
  228   1HB   LEU  31          1HB       LEU  31 -11.683  -7.818  -4.706
  229   2HB   LEU  31          2HB       LEU  31 -11.826  -7.763  -6.434
  230   1HD1  LEU  31          1HD1      LEU  31 -13.104  -6.899  -3.279
  231   2HD1  LEU  31          2HD1      LEU  31 -13.004  -5.505  -4.363
  232   3HD1  LEU  31          3HD1      LEU  31 -14.588  -6.106  -3.806
  233   1HD2  LEU  31          1HD2      LEU  31 -15.192  -6.658  -6.688
  234   2HD2  LEU  31          2HD2      LEU  31 -13.855  -5.505  -6.492
  235   3HD2  LEU  31          3HD2      LEU  31 -13.644  -6.974  -7.464
  236   1HG   LEU  31          1HG       LEU  31 -14.453  -8.064  -5.104
  237    H    THR  32           H        THR  32 -11.116 -11.436  -6.686
  238    HA   THR  32           HA       THR  32 -10.835 -12.317  -8.749
  239    HB   THR  32           HB       THR  32 -13.867 -12.199  -8.889
  240    HG1  THR  32           HG1      THR  32 -13.685 -14.159  -7.743
  241   1HG2  THR  32          1HG2      THR  32 -11.828 -14.216  -9.950
  242   2HG2  THR  32          2HG2      THR  32 -13.583 -14.495  -9.882
  243   3HG2  THR  32          3HG2      THR  32 -12.944 -13.229 -10.925
  244    H    ARG  33           H        ARG  33 -10.873  -9.374  -8.535
  245    HA   ARG  33           HA       ARG  33 -11.488  -8.630 -11.370
  246   1HB   ARG  33          1HB       ARG  33 -13.107  -7.709  -9.699
  247   2HB   ARG  33          2HB       ARG  33 -11.777  -6.788  -8.994
  248   1HG   ARG  33          1HG       ARG  33 -11.568  -6.292 -11.797
  249   2HG   ARG  33          2HG       ARG  33 -13.300  -6.363 -11.505
  250   1HD   ARG  33          1HD       ARG  33 -12.530  -4.079 -11.303
  251   2HD   ARG  33          2HD       ARG  33 -13.029  -4.665  -9.701
  252    HE   ARG  33           HNE      ARG  33 -10.199  -5.100 -10.192
  253   1HH1  ARG  33          2HH2      ARG  33 -12.493  -2.811  -8.955
  254   2HH1  ARG  33          1HH2      ARG  33 -11.311  -1.909  -8.032
  255   1HH2  ARG  33          2HH1      ARG  33  -8.677  -3.898  -9.114
  256   2HH2  ARG  33          1HH1      ARG  33  -9.153  -2.548  -8.117
  257    HA   PRO  34           HA       PRO  34  -7.004  -7.950 -10.677
  258   1HB   PRO  34          1HB       PRO  34  -6.226  -8.496 -13.275
  259   2HB   PRO  34          2HB       PRO  34  -6.339  -9.673 -11.938
  260   1HG   PRO  34          1HG       PRO  34  -8.187  -9.297 -14.241
  261   2HG   PRO  34          2HG       PRO  34  -7.881 -10.754 -13.248
  262   1HD   PRO  34          1HD       PRO  34 -10.066  -8.948 -13.045
  263   2HD   PRO  34          2HD       PRO  34  -9.658 -10.258 -11.901
  264    H    ARG  35           H        ARG  35  -5.558  -6.372 -11.598
  265    HA   ARG  35           HA       ARG  35  -6.740  -3.823 -12.089
  266   1HB   ARG  35          1HB       ARG  35  -4.485  -3.023 -12.476
  267   2HB   ARG  35          2HB       ARG  35  -4.499  -4.143 -11.113
  268   1HG   ARG  35          1HG       ARG  35  -3.872  -5.941 -12.975
  269   2HG   ARG  35          2HG       ARG  35  -3.368  -4.530 -13.902
  270   1HD   ARG  35          1HD       ARG  35  -1.716  -3.930 -12.271
  271   2HD   ARG  35          2HD       ARG  35  -2.385  -5.029 -11.063
  272    HE   ARG  35           HNE      ARG  35  -0.534  -5.689 -13.180
  273   1HH1  ARG  35          2HH2      ARG  35  -2.918  -7.071 -11.050
  274   2HH1  ARG  35          1HH2      ARG  35  -2.434  -8.724 -11.343
  275   1HH2  ARG  35          2HH1      ARG  35   0.108  -7.845 -13.527
  276   2HH2  ARG  35          1HH1      ARG  35  -0.815  -9.128 -12.799
  277    H    TYR  36           H        TYR  36  -7.553  -2.942 -13.834
  278    HA   TYR  36           HA       TYR  36  -7.910  -4.387 -16.235
  279   1HB   TYR  36          1HB       TYR  36  -9.288  -2.479 -15.067
  280   2HB   TYR  36          2HB       TYR  36  -8.278  -1.391 -16.000
  281    HD1  TYR  36           HD1      TYR  36 -10.389  -4.486 -16.351
  282    HD2  TYR  36           HD2      TYR  36  -9.053  -0.811 -18.171
  283    HE1  TYR  36           HE1      TYR  36 -11.968  -4.855 -18.245
  284    HE2  TYR  36           HE2      TYR  36 -10.655  -1.180 -20.064
  285    HH   TYR  36           HH       TYR  36 -12.052  -3.986 -20.843
  286   1HN   NH2  37          1HN       NH2  37  -6.127  -4.918 -17.544
  287   2HN   NH2  37          2HN       NH2  37  -5.015  -3.652 -18.095
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1   7.707  10.696  12.464
    2   2H    ALA   1          2H        ALA   1   9.026  10.033  13.192
    3   3H    ALA   1          3H        ALA   1   9.221  10.935  11.831
    4    HA   ALA   1           HA       ALA   1   7.970   9.353  10.552
    5   1HB   ALA   1          1HB       ALA   1  10.097   8.819  10.081
    6   2HB   ALA   1          2HB       ALA   1  10.609   8.753  11.776
    7   3HB   ALA   1          3HB       ALA   1   9.766   7.372  11.039
    8    HA   PRO   2           HA       PRO   2   6.671   5.715  13.221
    9   1HB   PRO   2          1HB       PRO   2   7.284   5.548  15.921
   10   2HB   PRO   2          2HB       PRO   2   8.259   4.838  14.607
   11   1HG   PRO   2          1HG       PRO   2   8.804   7.281  16.235
   12   2HG   PRO   2          2HG       PRO   2   9.948   6.194  15.395
   13   1HD   PRO   2          1HD       PRO   2   9.018   8.726  14.519
   14   2HD   PRO   2          2HD       PRO   2   9.959   7.540  13.567
   15    H    LEU   3           H        LEU   3   6.847   8.649  15.253
   16    HA   LEU   3           HA       LEU   3   4.004   8.344  15.995
   17   1HB   LEU   3          1HB       LEU   3   6.065   8.771  17.615
   18   2HB   LEU   3          2HB       LEU   3   5.812  10.456  17.195
   19   1HD1  LEU   3          1HD1      LEU   3   4.912  10.175  20.211
   20   2HD1  LEU   3          2HD1      LEU   3   3.849   8.757  20.253
   21   3HD1  LEU   3          3HD1      LEU   3   5.512   8.589  19.694
   22   1HD2  LEU   3          1HD2      LEU   3   4.132  11.701  18.434
   23   2HD2  LEU   3          2HD2      LEU   3   2.954  11.045  17.280
   24   3HD2  LEU   3          3HD2      LEU   3   2.656  10.902  19.016
   25   1HG   LEU   3          1HG       LEU   3   3.438   8.757  18.025
   26    H    GLU   4           H        GLU   4   2.756   9.157  14.544
   27    HA   GLU   4           HA       GLU   4   1.649  10.522  13.193
   28   1HB   GLU   4          1HB       GLU   4   2.641  12.256  15.124
   29   2HB   GLU   4          2HB       GLU   4   3.179  13.022  13.647
   30   1HG   GLU   4          1HG       GLU   4   1.108  13.806  13.231
   31   2HG   GLU   4          2HG       GLU   4   0.366  12.219  13.405
   32    HA   PRO   5           HA       PRO   5   4.076  10.560   9.496
   33   1HB   PRO   5          1HB       PRO   5   2.538  12.112   7.773
   34   2HB   PRO   5          2HB       PRO   5   2.235  10.400   8.180
   35   1HG   PRO   5          1HG       PRO   5   0.770  12.819   9.105
   36   2HG   PRO   5          2HG       PRO   5   0.220  11.120   9.005
   37   1HD   PRO   5          1HD       PRO   5   1.116  12.554  11.296
   38   2HD   PRO   5          2HD       PRO   5   0.713  10.811  11.213
   39    H    GLU   6           H        GLU   6   5.697  11.723   8.554
   40    HA   GLU   6           HA       GLU   6   6.164  14.486   9.526
   41   1HB   GLU   6          1HB       GLU   6   8.469  14.110   8.682
   42   2HB   GLU   6          2HB       GLU   6   7.980  13.108  10.041
   43   1HG   GLU   6          1HG       GLU   6   7.861  11.138   8.767
   44   2HG   GLU   6          2HG       GLU   6   7.797  11.976   7.229
   45    H    TYR   7           H        TYR   7   4.683  15.565   8.207
   46    HA   TYR   7           HA       TYR   7   5.350  15.650   5.298
   47   1HB   TYR   7          1HB       TYR   7   3.087  16.275   4.875
   48   2HB   TYR   7          2HB       TYR   7   3.163  14.746   5.729
   49    HD1  TYR   7           HD1      TYR   7   1.847  18.112   5.748
   50    HD2  TYR   7           HD2      TYR   7   2.640  14.698   8.243
   51    HE1  TYR   7           HE1      TYR   7   0.380  19.067   7.528
   52    HE2  TYR   7           HE2      TYR   7   1.213  15.649  10.032
   53    HH   TYR   7           HH       TYR   7  -0.518  17.263  10.392
   54    HA   PRO   8           HA       PRO   8   6.568  19.806   6.826
   55   1HB   PRO   8          1HB       PRO   8   8.810  20.124   5.248
   56   2HB   PRO   8          2HB       PRO   8   8.790  19.351   6.856
   57   1HG   PRO   8          1HG       PRO   8   8.989  18.059   4.167
   58   2HG   PRO   8          2HG       PRO   8   9.612  17.506   5.750
   59   1HD   PRO   8          1HD       PRO   8   7.242  16.635   4.438
   60   2HD   PRO   8          2HD       PRO   8   7.734  16.281   6.119
   61    H    GLY   9           H        GLY   9   5.314  18.513   4.025
   62   1HA   GLY   9          1HA       GLY   9   4.079  20.904   3.177
   63   2HA   GLY   9          2HA       GLY   9   5.404  20.530   2.058
   64    H    ASP  10           H        ASP  10   4.912  19.183   0.371
   65    HA   ASP  10           HA       ASP  10   2.554  17.406   0.515
   66   1HB   ASP  10          1HB       ASP  10   2.423  18.068  -1.983
   67   2HB   ASP  10          2HB       ASP  10   1.790  19.128  -0.741
   68    H    ASN  11           H        ASN  11   3.896  15.669   1.082
   69    HA   ASN  11           HA       ASN  11   4.930  14.143  -1.134
   70   1HB   ASN  11          1HB       ASN  11   7.277  14.017  -0.429
   71   2HB   ASN  11          2HB       ASN  11   6.848  15.627  -0.965
   72   1HD2  ASN  11          1HD2      ASN  11   8.471  13.947   1.459
   73   2HD2  ASN  11          2HD2      ASN  11   8.450  15.258   2.632
   74    H    ALA  12           H        ALA  12   3.302  12.758  -0.194
   75    HA   ALA  12           HA       ALA  12   4.044  11.408   2.354
   76   1HB   ALA  12          1HB       ALA  12   1.785  11.670   2.451
   77   2HB   ALA  12          2HB       ALA  12   1.549  11.561   0.692
   78   3HB   ALA  12          3HB       ALA  12   1.858  10.094   1.647
   79    H    THR  13           H        THR  13   6.045  10.730   1.536
   80    HA   THR  13           HA       THR  13   6.606   9.106  -0.659
   81    HB   THR  13           HB       THR  13   8.457   8.182   0.802
   82    HG1  THR  13           HG1      THR  13   8.413   8.583   2.928
   83   1HG2  THR  13          1HG2      THR  13   8.631  10.419  -0.423
   84   2HG2  THR  13          2HG2      THR  13   8.185  11.200   1.113
   85   3HG2  THR  13          3HG2      THR  13   9.672  10.242   1.003
   86    HA   PRO  14           HA       PRO  14   4.513   5.306   0.240
   87   1HB   PRO  14          1HB       PRO  14   5.937   3.462  -1.235
   88   2HB   PRO  14          2HB       PRO  14   4.870   4.708  -1.917
   89   1HG   PRO  14          1HG       PRO  14   7.864   4.682  -1.797
   90   2HG   PRO  14          2HG       PRO  14   6.777   5.376  -3.036
   91   1HD   PRO  14          1HD       PRO  14   8.067   6.775  -0.942
   92   2HD   PRO  14          2HD       PRO  14   6.738   7.392  -1.963
   93    H    GLU  15           H        GLU  15   5.808   6.058   2.414
   94    HA   GLU  15           HA       GLU  15   7.343   3.757   3.511
   95   1HB   GLU  15          1HB       GLU  15   7.949   5.207   5.288
   96   2HB   GLU  15          2HB       GLU  15   8.171   6.083   3.785
   97   1HG   GLU  15          1HG       GLU  15   6.950   7.774   4.603
   98   2HG   GLU  15          2HG       GLU  15   5.530   6.756   4.606
   99    H    GLN  16           H        GLN  16   4.209   5.098   3.506
  100    HA   GLN  16           HA       GLN  16   3.281   3.194   5.621
  101   1HB   GLN  16          1HB       GLN  16   3.198   5.807   6.055
  102   2HB   GLN  16          2HB       GLN  16   1.817   5.770   4.964
  103   1HG   GLN  16          1HG       GLN  16   0.915   5.530   7.158
  104   2HG   GLN  16          2HG       GLN  16   0.842   3.910   6.460
  105   1HE2  GLN  16          1HE2      GLN  16   2.750   6.026   8.672
  106   2HE2  GLN  16          2HE2      GLN  16   3.502   4.669   9.487
  107    H    MET  17           H        MET  17   2.183   4.998   2.692
  108    HA   MET  17           HA       MET  17  -0.090   3.406   2.187
  109   1HB   MET  17          1HB       MET  17   1.264   5.554   0.884
  110   2HB   MET  17          2HB       MET  17   1.172   4.256  -0.307
  111   1HG   MET  17          1HG       MET  17  -1.173   5.362   1.287
  112   2HG   MET  17          2HG       MET  17  -0.778   5.757  -0.389
  113   1HE   MET  17          1HE       MET  17  -2.940   5.153  -1.545
  114   2HE   MET  17          2HE       MET  17  -3.917   3.715  -1.178
  115   3HE   MET  17          3HE       MET  17  -3.674   4.963   0.068
  116    H    ALA  18           H        ALA  18   3.290   2.621   1.660
  117    HA   ALA  18           HA       ALA  18   3.102   0.515  -0.203
  118   1HB   ALA  18          1HB       ALA  18   4.917   0.924   2.217
  119   2HB   ALA  18          2HB       ALA  18   5.179  -0.296   0.950
  120   3HB   ALA  18          3HB       ALA  18   5.214   1.421   0.533
  121    H    GLN  19           H        GLN  19   2.074   0.584   3.189
  122    HA   GLN  19           HA       GLN  19   1.728  -2.313   3.404
  123   1HB   GLN  19          1HB       GLN  19   1.645   0.015   5.157
  124   2HB   GLN  19          2HB       GLN  19   0.162  -0.889   5.357
  125   1HG   GLN  19          1HG       GLN  19   2.691  -2.520   5.327
  126   2HG   GLN  19          2HG       GLN  19   2.512  -1.387   6.656
  127   1HE2  GLN  19          1HE2      GLN  19   0.586  -1.525   8.045
  128   2HE2  GLN  19          2HE2      GLN  19  -0.194  -3.097   8.204
  129    H    TYR  20           H        TYR  20  -0.578   0.443   3.229
  130    HA   TYR  20           HA       TYR  20  -2.943  -1.088   2.837
  131   1HB   TYR  20          1HB       TYR  20  -2.068   1.745   2.443
  132   2HB   TYR  20          2HB       TYR  20  -3.441   1.240   1.486
  133    HD1  TYR  20           HD1      TYR  20  -5.553   1.550   2.346
  134    HD2  TYR  20           HD2      TYR  20  -2.268   0.953   5.083
  135    HE1  TYR  20           HE1      TYR  20  -7.082   1.934   4.261
  136    HE2  TYR  20           HE2      TYR  20  -3.822   1.332   7.004
  137    HH   TYR  20           HH       TYR  20  -7.227   1.407   6.676
  138    H    ALA  21           H        ALA  21  -0.663   0.225   0.396
  139    HA   ALA  21           HA       ALA  21  -2.047  -0.640  -1.935
  140   1HB   ALA  21          1HB       ALA  21   0.897  -0.143  -1.315
  141   2HB   ALA  21          2HB       ALA  21   0.290  -0.499  -2.943
  142   3HB   ALA  21          3HB       ALA  21  -0.261   0.962  -2.091
  143    H    ALA  22           H        ALA  22   0.474  -2.323   0.046
  144    HA   ALA  22           HA       ALA  22   0.467  -4.745  -1.467
  145   1HB   ALA  22          1HB       ALA  22   2.261  -4.198   0.099
  146   2HB   ALA  22          2HB       ALA  22   1.124  -4.212   1.461
  147   3HB   ALA  22          3HB       ALA  22   1.477  -5.714   0.593
  148    H    GLU  23           H        GLU  23  -1.888  -3.454   0.785
  149    HA   GLU  23           HA       GLU  23  -3.257  -5.969   1.254
  150   1HB   GLU  23          1HB       GLU  23  -3.329  -3.547   2.548
  151   2HB   GLU  23          2HB       GLU  23  -4.783  -3.430   1.550
  152   1HG   GLU  23          1HG       GLU  23  -5.198  -5.917   2.432
  153   2HG   GLU  23          2HG       GLU  23  -4.059  -5.441   3.689
  154    H    LEU  24           H        LEU  24  -3.885  -3.091  -0.829
  155    HA   LEU  24           HA       LEU  24  -6.228  -4.014  -2.077
  156   1HB   LEU  24          1HB       LEU  24  -4.247  -1.919  -2.628
  157   2HB   LEU  24          2HB       LEU  24  -4.742  -2.705  -4.116
  158   1HD1  LEU  24          1HD1      LEU  24  -6.574  -1.719  -0.959
  159   2HD1  LEU  24          2HD1      LEU  24  -5.765  -0.276  -1.605
  160   3HD1  LEU  24          3HD1      LEU  24  -7.527  -0.478  -1.782
  161   1HD2  LEU  24          1HD2      LEU  24  -5.372  -0.625  -4.724
  162   2HD2  LEU  24          2HD2      LEU  24  -7.066  -1.042  -5.031
  163   3HD2  LEU  24          3HD2      LEU  24  -6.662   0.284  -3.927
  164   1HG   LEU  24          1HG       LEU  24  -7.189  -2.397  -3.268
  165    H    ARG  25           H        ARG  25  -2.878  -4.707  -3.024
  166    HA   ARG  25           HA       ARG  25  -3.295  -6.301  -5.328
  167   1HB   ARG  25          1HB       ARG  25  -1.060  -5.806  -4.655
  168   2HB   ARG  25          2HB       ARG  25  -1.295  -6.506  -3.046
  169   1HG   ARG  25          1HG       ARG  25  -1.490  -8.758  -3.999
  170   2HG   ARG  25          2HG       ARG  25  -1.348  -8.113  -5.637
  171   1HD   ARG  25          1HD       ARG  25   0.898  -8.226  -5.514
  172   2HD   ARG  25          2HD       ARG  25   0.916  -7.209  -4.075
  173    HE   ARG  25           HNE      ARG  25   1.261  -9.057  -2.776
  174   1HH1  ARG  25          2HH2      ARG  25   0.047 -10.249  -5.832
  175   2HH1  ARG  25          1HH2      ARG  25   0.197 -11.928  -5.378
  176   1HH2  ARG  25          2HH1      ARG  25   1.473 -11.221  -2.241
  177   2HH2  ARG  25          1HH1      ARG  25   0.961 -12.459  -3.357
  178    H    ARG  26           H        ARG  26  -3.777  -7.205  -1.948
  179    HA   ARG  26           HA       ARG  26  -4.335 -10.036  -2.549
  180   1HB   ARG  26          1HB       ARG  26  -5.092  -8.799   0.098
  181   2HB   ARG  26          2HB       ARG  26  -4.437 -10.391  -0.273
  182   1HG   ARG  26          1HG       ARG  26  -2.266  -8.962  -0.943
  183   2HG   ARG  26          2HG       ARG  26  -3.070  -7.741   0.035
  184   1HD   ARG  26          1HD       ARG  26  -2.248  -8.614   1.888
  185   2HD   ARG  26          2HD       ARG  26  -3.095 -10.130   1.591
  186    HE   ARG  26           HNE      ARG  26  -0.278  -9.528   1.152
  187   1HH1  ARG  26          2HH2      ARG  26  -2.828 -11.612   0.059
  188   2HH1  ARG  26          1HH2      ARG  26  -1.770 -12.863  -0.546
  189   1HH2  ARG  26          2HH1      ARG  26   1.107 -11.179   0.499
  190   2HH2  ARG  26          1HH1      ARG  26   0.464 -12.641  -0.213
  191    H    TYR  27           H        TYR  27  -6.093  -7.150  -1.511
  192    HA   TYR  27           HA       TYR  27  -8.706  -8.114  -1.430
  193   1HB   TYR  27          1HB       TYR  27  -7.648  -5.738  -0.937
  194   2HB   TYR  27          2HB       TYR  27  -8.117  -5.397  -2.596
  195    HD1  TYR  27           HD1      TYR  27  -9.545  -6.977   0.520
  196    HD2  TYR  27           HD2      TYR  27 -10.239  -4.393  -2.867
  197    HE1  TYR  27           HE1      TYR  27 -11.822  -6.475   1.374
  198    HE2  TYR  27           HE2      TYR  27 -12.510  -3.854  -1.977
  199    HH   TYR  27           HH       TYR  27 -13.476  -4.512   1.171
  200    H    ILE  28           H        ILE  28  -6.903  -6.947  -4.285
  201    HA   ILE  28           HA       ILE  28  -8.882  -7.250  -6.269
  202    HB   ILE  28           HB       ILE  28  -5.865  -7.390  -6.243
  203   1HG1  ILE  28          1HG1      ILE  28  -7.720  -5.505  -7.740
  204   2HG1  ILE  28          2HG1      ILE  28  -7.287  -5.234  -6.054
  205   1HG2  ILE  28          1HG2      ILE  28  -7.664  -8.125  -8.546
  206   2HG2  ILE  28          2HG2      ILE  28  -6.109  -7.335  -8.850
  207   3HG2  ILE  28          3HG2      ILE  28  -6.154  -8.885  -8.017
  208   1HD1  ILE  28          1HD1      ILE  28  -5.220  -5.458  -8.287
  209   2HD1  ILE  28          2HD1      ILE  28  -5.840  -3.950  -7.605
  210   3HD1  ILE  28          3HD1      ILE  28  -4.923  -5.073  -6.583
  211    H    ASN  29           H        ASN  29  -6.467  -9.760  -5.313
  212    HA   ASN  29           HA       ASN  29  -7.571 -11.822  -6.971
  213   1HB   ASN  29          1HB       ASN  29  -5.288 -11.688  -5.783
  214   2HB   ASN  29          2HB       ASN  29  -6.119 -12.217  -4.320
  215   1HD2  ASN  29          1HD2      ASN  29  -4.037 -13.462  -6.408
  216   2HD2  ASN  29          2HD2      ASN  29  -4.799 -15.055  -6.560
  217    H    MET  30           H        MET  30  -8.325 -10.731  -3.694
  218    HA   MET  30           HA       MET  30 -10.369 -12.722  -3.128
  219   1HB   MET  30          1HB       MET  30  -9.303 -10.197  -1.866
  220   2HB   MET  30          2HB       MET  30 -10.830 -10.841  -1.290
  221   1HG   MET  30          1HG       MET  30  -8.665 -12.864  -1.626
  222   2HG   MET  30          2HG       MET  30  -8.347 -11.637  -0.407
  223   1HE   MET  30          1HE       MET  30 -10.037 -10.796   1.144
  224   2HE   MET  30          2HE       MET  30 -11.115 -11.834   2.100
  225   3HE   MET  30          3HE       MET  30  -9.348 -12.028   2.222
  226    H    LEU  31           H        LEU  31 -10.455 -10.000  -5.164
  227    HA   LEU  31           HA       LEU  31 -13.421  -9.889  -5.005
  228   1HB   LEU  31          1HB       LEU  31 -11.683  -7.818  -4.706
  229   2HB   LEU  31          2HB       LEU  31 -11.826  -7.763  -6.434
  230   1HD1  LEU  31          1HD1      LEU  31 -13.104  -6.899  -3.279
  231   2HD1  LEU  31          2HD1      LEU  31 -13.004  -5.505  -4.363
  232   3HD1  LEU  31          3HD1      LEU  31 -14.588  -6.106  -3.806
  233   1HD2  LEU  31          1HD2      LEU  31 -15.192  -6.658  -6.688
  234   2HD2  LEU  31          2HD2      LEU  31 -13.855  -5.505  -6.492
  235   3HD2  LEU  31          3HD2      LEU  31 -13.644  -6.974  -7.464
  236   1HG   LEU  31          1HG       LEU  31 -14.453  -8.064  -5.104
  237    H    THR  32           H        THR  32 -11.116 -11.436  -6.686
  238    HA   THR  32           HA       THR  32 -10.835 -12.317  -8.749
  239    HB   THR  32           HB       THR  32 -13.867 -12.199  -8.889
  240    HG1  THR  32           HG1      THR  32 -13.685 -14.159  -7.743
  241   1HG2  THR  32          1HG2      THR  32 -11.828 -14.216  -9.950
  242   2HG2  THR  32          2HG2      THR  32 -13.583 -14.495  -9.882
  243   3HG2  THR  32          3HG2      THR  32 -12.944 -13.229 -10.925
  244    H    ARG  33           H        ARG  33 -10.873  -9.374  -8.535
  245    HA   ARG  33           HA       ARG  33 -11.488  -8.630 -11.370
  246   1HB   ARG  33          1HB       ARG  33 -13.107  -7.709  -9.699
  247   2HB   ARG  33          2HB       ARG  33 -11.777  -6.788  -8.994
  248   1HG   ARG  33          1HG       ARG  33 -11.568  -6.292 -11.797
  249   2HG   ARG  33          2HG       ARG  33 -13.300  -6.363 -11.505
  250   1HD   ARG  33          1HD       ARG  33 -12.530  -4.079 -11.303
  251   2HD   ARG  33          2HD       ARG  33 -13.029  -4.665  -9.701
  252    HE   ARG  33           HNE      ARG  33 -10.199  -5.100 -10.192
  253   1HH1  ARG  33          2HH2      ARG  33 -12.493  -2.811  -8.955
  254   2HH1  ARG  33          1HH2      ARG  33 -11.311  -1.909  -8.032
  255   1HH2  ARG  33          2HH1      ARG  33  -8.677  -3.898  -9.114
  256   2HH2  ARG  33          1HH1      ARG  33  -9.153  -2.548  -8.117
  257    HA   PRO  34           HA       PRO  34  -7.004  -7.950 -10.677
  258   1HB   PRO  34          1HB       PRO  34  -6.226  -8.496 -13.275
  259   2HB   PRO  34          2HB       PRO  34  -6.339  -9.673 -11.938
  260   1HG   PRO  34          1HG       PRO  34  -8.187  -9.297 -14.241
  261   2HG   PRO  34          2HG       PRO  34  -7.881 -10.754 -13.248
  262   1HD   PRO  34          1HD       PRO  34 -10.066  -8.948 -13.045
  263   2HD   PRO  34          2HD       PRO  34  -9.658 -10.258 -11.901
  264    H    ARG  35           H        ARG  35  -5.558  -6.372 -11.598
  265    HA   ARG  35           HA       ARG  35  -6.740  -3.823 -12.089
  266   1HB   ARG  35          1HB       ARG  35  -4.485  -3.023 -12.476
  267   2HB   ARG  35          2HB       ARG  35  -4.499  -4.143 -11.113
  268   1HG   ARG  35          1HG       ARG  35  -3.872  -5.941 -12.975
  269   2HG   ARG  35          2HG       ARG  35  -3.368  -4.530 -13.902
  270   1HD   ARG  35          1HD       ARG  35  -1.716  -3.930 -12.271
  271   2HD   ARG  35          2HD       ARG  35  -2.385  -5.029 -11.063
  272    HE   ARG  35           HNE      ARG  35  -0.534  -5.689 -13.180
  273   1HH1  ARG  35          2HH2      ARG  35  -2.918  -7.071 -11.050
  274   2HH1  ARG  35          1HH2      ARG  35  -2.434  -8.724 -11.343
  275   1HH2  ARG  35          2HH1      ARG  35   0.108  -7.845 -13.527
  276   2HH2  ARG  35          1HH1      ARG  35  -0.815  -9.128 -12.799
  277    H    TYR  36           H        TYR  36  -7.553  -2.942 -13.834
  278    HA   TYR  36           HA       TYR  36  -7.910  -4.387 -16.235
  279   1HB   TYR  36          1HB       TYR  36  -9.288  -2.479 -15.067
  280   2HB   TYR  36          2HB       TYR  36  -8.278  -1.391 -16.000
  281    HD1  TYR  36           HD1      TYR  36 -10.389  -4.486 -16.351
  282    HD2  TYR  36           HD2      TYR  36  -9.053  -0.811 -18.171
  283    HE1  TYR  36           HE1      TYR  36 -11.968  -4.855 -18.245
  284    HE2  TYR  36           HE2      TYR  36 -10.655  -1.180 -20.064
  285    HH   TYR  36           HH       TYR  36 -12.052  -3.986 -20.843
  286   1HN   NH2  37          1HN       NH2  37  -6.127  -4.918 -17.544
  287   2HN   NH2  37          2HN       NH2  37  -5.015  -3.652 -18.095
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1   7.672  10.699  12.397
    2   2H    ALA   1          2H        ALA   1   9.009  10.085  13.142
    3   3H    ALA   1          3H        ALA   1   9.176  10.938  11.745
    4    HA   ALA   1           HA       ALA   1   7.953   9.301  10.532
    5   1HB   ALA   1          1HB       ALA   1  10.117   8.850  10.104
    6   2HB   ALA   1          2HB       ALA   1  10.585   8.717  11.807
    7   3HB   ALA   1          3HB       ALA   1   9.755   7.368  10.994
    8    HA   PRO   2           HA       PRO   2   6.671   5.704  13.223
    9   1HB   PRO   2          1HB       PRO   2   7.300   5.492  15.907
   10   2HB   PRO   2          2HB       PRO   2   8.289   4.827  14.579
   11   1HG   PRO   2          1HG       PRO   2   8.761   7.282  16.230
   12   2HG   PRO   2          2HG       PRO   2   9.943   6.194  15.447
   13   1HD   PRO   2          1HD       PRO   2   9.069   8.703  14.493
   14   2HD   PRO   2          2HD       PRO   2   9.962   7.468  13.557
   15    H    LEU   3           H        LEU   3   6.850   8.636  15.250
   16    HA   LEU   3           HA       LEU   3   4.010   8.322  16.008
   17   1HB   LEU   3          1HB       LEU   3   6.051   8.701  17.645
   18   2HB   LEU   3          2HB       LEU   3   5.841  10.397  17.238
   19   1HD1  LEU   3          1HD1      LEU   3   4.989  10.167  20.195
   20   2HD1  LEU   3          2HD1      LEU   3   3.819   8.839  20.316
   21   3HD1  LEU   3          3HD1      LEU   3   5.456   8.518  19.742
   22   1HD2  LEU   3          1HD2      LEU   3   4.129  11.666  18.439
   23   2HD2  LEU   3          2HD2      LEU   3   2.964  10.998  17.281
   24   3HD2  LEU   3          3HD2      LEU   3   2.649  10.868  19.014
   25   1HG   LEU   3          1HG       LEU   3   3.446   8.714  18.060
   26    H    GLU   4           H        GLU   4   2.769   9.144  14.554
   27    HA   GLU   4           HA       GLU   4   1.657  10.513  13.211
   28   1HB   GLU   4          1HB       GLU   4   2.643  12.245  15.155
   29   2HB   GLU   4          2HB       GLU   4   3.153  13.025  13.675
   30   1HG   GLU   4          1HG       GLU   4   1.066  13.773  13.277
   31   2HG   GLU   4          2HG       GLU   4   0.346  12.181  13.469
   32    HA   PRO   5           HA       PRO   5   4.074  10.541   9.517
   33   1HB   PRO   5          1HB       PRO   5   2.546  12.086   7.782
   34   2HB   PRO   5          2HB       PRO   5   2.226  10.381   8.207
   35   1HG   PRO   5          1HG       PRO   5   0.805  12.833   9.131
   36   2HG   PRO   5          2HG       PRO   5   0.213  11.150   9.009
   37   1HD   PRO   5          1HD       PRO   5   1.097  12.523  11.331
   38   2HD   PRO   5          2HD       PRO   5   0.722  10.777  11.209
   39    H    GLU   6           H        GLU   6   5.716  11.694   8.580
   40    HA   GLU   6           HA       GLU   6   6.172  14.462   9.539
   41   1HB   GLU   6          1HB       GLU   6   8.476  14.104   8.682
   42   2HB   GLU   6          2HB       GLU   6   7.997  13.110  10.049
   43   1HG   GLU   6          1HG       GLU   6   7.879  11.128   8.774
   44   2HG   GLU   6          2HG       GLU   6   7.865  11.973   7.236
   45    H    TYR   7           H        TYR   7   4.687  15.551   8.236
   46    HA   TYR   7           HA       TYR   7   5.345  15.657   5.326
   47   1HB   TYR   7          1HB       TYR   7   3.087  16.289   4.904
   48   2HB   TYR   7          2HB       TYR   7   3.158  14.756   5.748
   49    HD1  TYR   7           HD1      TYR   7   1.834  18.118   5.777
   50    HD2  TYR   7           HD2      TYR   7   2.616  14.688   8.252
   51    HE1  TYR   7           HE1      TYR   7   0.341  19.051   7.550
   52    HE2  TYR   7           HE2      TYR   7   1.169  15.618  10.034
   53    HH   TYR   7           HH       TYR   7  -0.477  17.242  10.468
   54    HA   PRO   8           HA       PRO   8   6.563  19.820   6.840
   55   1HB   PRO   8          1HB       PRO   8   8.810  20.135   5.280
   56   2HB   PRO   8          2HB       PRO   8   8.784  19.335   6.876
   57   1HG   PRO   8          1HG       PRO   8   8.932  18.081   4.157
   58   2HG   PRO   8          2HG       PRO   8   9.620  17.520   5.711
   59   1HD   PRO   8          1HD       PRO   8   7.234  16.608   4.491
   60   2HD   PRO   8          2HD       PRO   8   7.745  16.309   6.177
   61    H    GLY   9           H        GLY   9   5.325  18.511   4.035
   62   1HA   GLY   9          1HA       GLY   9   4.059  20.894   3.206
   63   2HA   GLY   9          2HA       GLY   9   5.378  20.537   2.074
   64    H    ASP  10           H        ASP  10   4.886  19.204   0.391
   65    HA   ASP  10           HA       ASP  10   2.528  17.430   0.521
   66   1HB   ASP  10          1HB       ASP  10   2.413  18.139  -1.979
   67   2HB   ASP  10          2HB       ASP  10   1.757  19.147  -0.709
   68    H    ASN  11           H        ASN  11   3.964  15.740   1.142
   69    HA   ASN  11           HA       ASN  11   4.942  14.184  -1.105
   70   1HB   ASN  11          1HB       ASN  11   7.290  14.059  -0.402
   71   2HB   ASN  11          2HB       ASN  11   6.846  15.671  -0.927
   72   1HD2  ASN  11          1HD2      ASN  11   8.404  13.934   1.548
   73   2HD2  ASN  11          2HD2      ASN  11   8.441  15.278   2.684
   74    H    ALA  12           H        ALA  12   3.232  12.862  -0.094
   75    HA   ALA  12           HA       ALA  12   4.019  11.413   2.372
   76   1HB   ALA  12          1HB       ALA  12   1.736  11.720   2.392
   77   2HB   ALA  12          2HB       ALA  12   1.549  11.478   0.639
   78   3HB   ALA  12          3HB       ALA  12   1.873  10.093   1.705
   79    H    THR  13           H        THR  13   6.027  10.711   1.598
   80    HA   THR  13           HA       THR  13   6.592   9.112  -0.627
   81    HB   THR  13           HB       THR  13   8.443   8.170   0.804
   82    HG1  THR  13           HG1      THR  13   8.552   8.716   2.946
   83   1HG2  THR  13          1HG2      THR  13   8.644  10.394  -0.391
   84   2HG2  THR  13          2HG2      THR  13   8.159  11.187   1.126
   85   3HG2  THR  13          3HG2      THR  13   9.656  10.239   1.057
   86    HA   PRO  14           HA       PRO  14   4.514   5.296   0.262
   87   1HB   PRO  14          1HB       PRO  14   5.918   3.463  -1.229
   88   2HB   PRO  14          2HB       PRO  14   4.876   4.734  -1.910
   89   1HG   PRO  14          1HG       PRO  14   7.874   4.683  -1.725
   90   2HG   PRO  14          2HG       PRO  14   6.825   5.345  -3.014
   91   1HD   PRO  14          1HD       PRO  14   8.050   6.817  -0.951
   92   2HD   PRO  14          2HD       PRO  14   6.691   7.379  -1.964
   93    H    GLU  15           H        GLU  15   5.818   6.055   2.430
   94    HA   GLU  15           HA       GLU  15   7.350   3.747   3.521
   95   1HB   GLU  15          1HB       GLU  15   7.949   5.184   5.314
   96   2HB   GLU  15          2HB       GLU  15   8.182   6.061   3.813
   97   1HG   GLU  15          1HG       GLU  15   6.979   7.758   4.639
   98   2HG   GLU  15          2HG       GLU  15   5.545   6.757   4.612
   99    H    GLN  16           H        GLN  16   4.217   5.111   3.546
  100    HA   GLN  16           HA       GLN  16   3.282   3.180   5.635
  101   1HB   GLN  16          1HB       GLN  16   3.208   5.786   6.082
  102   2HB   GLN  16          2HB       GLN  16   1.830   5.764   4.989
  103   1HG   GLN  16          1HG       GLN  16   0.924   5.531   7.179
  104   2HG   GLN  16          2HG       GLN  16   0.835   3.913   6.480
  105   1HE2  GLN  16          1HE2      GLN  16   2.842   6.008   8.645
  106   2HE2  GLN  16          2HE2      GLN  16   3.519   4.639   9.498
  107    H    MET  17           H        MET  17   2.187   4.994   2.707
  108    HA   MET  17           HA       MET  17  -0.088   3.409   2.193
  109   1HB   MET  17          1HB       MET  17   1.247   5.569   0.914
  110   2HB   MET  17          2HB       MET  17   1.190   4.283  -0.291
  111   1HG   MET  17          1HG       MET  17  -1.187   5.361   1.275
  112   2HG   MET  17          2HG       MET  17  -0.772   5.764  -0.392
  113   1HE   MET  17          1HE       MET  17  -2.969   5.168  -1.540
  114   2HE   MET  17          2HE       MET  17  -3.936   3.726  -1.163
  115   3HE   MET  17          3HE       MET  17  -3.671   4.966   0.087
  116    H    ALA  18           H        ALA  18   3.289   2.614   1.652
  117    HA   ALA  18           HA       ALA  18   3.087   0.505  -0.203
  118   1HB   ALA  18          1HB       ALA  18   4.908   0.902   2.214
  119   2HB   ALA  18          2HB       ALA  18   5.162  -0.313   0.942
  120   3HB   ALA  18          3HB       ALA  18   5.205   1.406   0.533
  121    H    GLN  19           H        GLN  19   2.082   0.568   3.206
  122    HA   GLN  19           HA       GLN  19   1.712  -2.328   3.406
  123   1HB   GLN  19          1HB       GLN  19   1.639  -0.011   5.172
  124   2HB   GLN  19          2HB       GLN  19   0.152  -0.906   5.367
  125   1HG   GLN  19          1HG       GLN  19   2.673  -2.548   5.343
  126   2HG   GLN  19          2HG       GLN  19   2.495  -1.418   6.672
  127   1HE2  GLN  19          1HE2      GLN  19   0.551  -1.564   8.066
  128   2HE2  GLN  19          2HE2      GLN  19  -0.200  -3.152   8.226
  129    H    TYR  20           H        TYR  20  -0.567   0.451   3.198
  130    HA   TYR  20           HA       TYR  20  -2.942  -1.080   2.818
  131   1HB   TYR  20          1HB       TYR  20  -2.076   1.757   2.434
  132   2HB   TYR  20          2HB       TYR  20  -3.451   1.249   1.482
  133    HD1  TYR  20           HD1      TYR  20  -5.564   1.539   2.356
  134    HD2  TYR  20           HD2      TYR  20  -2.257   0.968   5.073
  135    HE1  TYR  20           HE1      TYR  20  -7.088   1.892   4.281
  136    HE2  TYR  20           HE2      TYR  20  -3.806   1.317   7.004
  137    HH   TYR  20           HH       TYR  20  -7.255   1.450   6.647
  138    H    ALA  21           H        ALA  21  -0.666   0.236   0.370
  139    HA   ALA  21           HA       ALA  21  -2.044  -0.645  -1.956
  140   1HB   ALA  21          1HB       ALA  21   0.910  -0.177  -1.357
  141   2HB   ALA  21          2HB       ALA  21   0.260  -0.471  -2.983
  142   3HB   ALA  21          3HB       ALA  21  -0.246   0.969  -2.071
  143    H    ALA  22           H        ALA  22   0.483  -2.321   0.032
  144    HA   ALA  22           HA       ALA  22   0.459  -4.748  -1.469
  145   1HB   ALA  22          1HB       ALA  22   2.259  -4.183   0.090
  146   2HB   ALA  22          2HB       ALA  22   1.127  -4.221   1.457
  147   3HB   ALA  22          3HB       ALA  22   1.492  -5.713   0.571
  148    H    GLU  23           H        GLU  23  -1.869  -3.464   0.838
  149    HA   GLU  23           HA       GLU  23  -3.257  -5.977   1.252
  150   1HB   GLU  23          1HB       GLU  23  -3.342  -3.575   2.581
  151   2HB   GLU  23          2HB       GLU  23  -4.791  -3.447   1.578
  152   1HG   GLU  23          1HG       GLU  23  -5.227  -5.935   2.413
  153   2HG   GLU  23          2HG       GLU  23  -4.066  -5.515   3.670
  154    H    LEU  24           H        LEU  24  -3.878  -3.083  -0.816
  155    HA   LEU  24           HA       LEU  24  -6.213  -4.006  -2.072
  156   1HB   LEU  24          1HB       LEU  24  -4.243  -1.902  -2.615
  157   2HB   LEU  24          2HB       LEU  24  -4.733  -2.684  -4.108
  158   1HD1  LEU  24          1HD1      LEU  24  -6.574  -1.723  -0.948
  159   2HD1  LEU  24          2HD1      LEU  24  -5.773  -0.273  -1.585
  160   3HD1  LEU  24          3HD1      LEU  24  -7.532  -0.481  -1.766
  161   1HD2  LEU  24          1HD2      LEU  24  -5.364  -0.562  -4.671
  162   2HD2  LEU  24          2HD2      LEU  24  -7.029  -1.046  -5.036
  163   3HD2  LEU  24          3HD2      LEU  24  -6.718   0.284  -3.911
  164   1HG   LEU  24          1HG       LEU  24  -7.184  -2.389  -3.261
  165    H    ARG  25           H        ARG  25  -2.865  -4.714  -3.017
  166    HA   ARG  25           HA       ARG  25  -3.294  -6.304  -5.326
  167   1HB   ARG  25          1HB       ARG  25  -1.059  -5.799  -4.645
  168   2HB   ARG  25          2HB       ARG  25  -1.289  -6.524  -3.047
  169   1HG   ARG  25          1HG       ARG  25  -1.483  -8.763  -4.044
  170   2HG   ARG  25          2HG       ARG  25  -1.323  -8.085  -5.667
  171   1HD   ARG  25          1HD       ARG  25   0.922  -8.199  -5.520
  172   2HD   ARG  25          2HD       ARG  25   0.920  -7.199  -4.071
  173    HE   ARG  25           HNE      ARG  25   1.279  -9.059  -2.795
  174   1HH1  ARG  25          2HH2      ARG  25   0.058 -10.228  -5.854
  175   2HH1  ARG  25          1HH2      ARG  25   0.204 -11.909  -5.410
  176   1HH2  ARG  25          2HH1      ARG  25   1.459 -11.230  -2.257
  177   2HH2  ARG  25          1HH1      ARG  25   0.933 -12.452  -3.378
  178    H    ARG  26           H        ARG  26  -3.774  -7.209  -1.942
  179    HA   ARG  26           HA       ARG  26  -4.339 -10.038  -2.557
  180   1HB   ARG  26          1HB       ARG  26  -5.074  -8.817   0.103
  181   2HB   ARG  26          2HB       ARG  26  -4.435 -10.413  -0.283
  182   1HG   ARG  26          1HG       ARG  26  -2.252  -9.016  -0.950
  183   2HG   ARG  26          2HG       ARG  26  -3.041  -7.775   0.019
  184   1HD   ARG  26          1HD       ARG  26  -2.237  -8.638   1.881
  185   2HD   ARG  26          2HD       ARG  26  -3.082 -10.155   1.594
  186    HE   ARG  26           HNE      ARG  26  -0.262  -9.572   1.206
  187   1HH1  ARG  26          2HH2      ARG  26  -2.787 -11.630   0.025
  188   2HH1  ARG  26          1HH2      ARG  26  -1.719 -12.885  -0.559
  189   1HH2  ARG  26          2HH1      ARG  26   1.139 -11.246   0.613
  190   2HH2  ARG  26          1HH1      ARG  26   0.513 -12.697  -0.130
  191    H    TYR  27           H        TYR  27  -6.092  -7.153  -1.507
  192    HA   TYR  27           HA       TYR  27  -8.708  -8.118  -1.440
  193   1HB   TYR  27          1HB       TYR  27  -7.655  -5.757  -0.910
  194   2HB   TYR  27          2HB       TYR  27  -8.101  -5.387  -2.568
  195    HD1  TYR  27           HD1      TYR  27  -9.556  -6.968   0.530
  196    HD2  TYR  27           HD2      TYR  27 -10.233  -4.403  -2.873
  197    HE1  TYR  27           HE1      TYR  27 -11.833  -6.453   1.378
  198    HE2  TYR  27           HE2      TYR  27 -12.506  -3.853  -1.991
  199    HH   TYR  27           HH       TYR  27 -13.514  -4.646   1.198
  200    H    ILE  28           H        ILE  28  -6.906  -6.920  -4.293
  201    HA   ILE  28           HA       ILE  28  -8.873  -7.234  -6.282
  202    HB   ILE  28           HB       ILE  28  -5.856  -7.365  -6.243
  203   1HG1  ILE  28          1HG1      ILE  28  -7.713  -5.500  -7.763
  204   2HG1  ILE  28          2HG1      ILE  28  -7.302  -5.220  -6.072
  205   1HG2  ILE  28          1HG2      ILE  28  -7.635  -8.078  -8.574
  206   2HG2  ILE  28          2HG2      ILE  28  -6.043  -7.340  -8.838
  207   3HG2  ILE  28          3HG2      ILE  28  -6.163  -8.887  -8.008
  208   1HD1  ILE  28          1HD1      ILE  28  -5.230  -5.402  -8.305
  209   2HD1  ILE  28          2HD1      ILE  28  -5.851  -3.914  -7.578
  210   3HD1  ILE  28          3HD1      ILE  28  -4.923  -5.059  -6.591
  211    H    ASN  29           H        ASN  29  -6.482  -9.752  -5.293
  212    HA   ASN  29           HA       ASN  29  -7.568 -11.808  -6.975
  213   1HB   ASN  29          1HB       ASN  29  -5.293 -11.671  -5.777
  214   2HB   ASN  29          2HB       ASN  29  -6.128 -12.204  -4.317
  215   1HD2  ASN  29          1HD2      ASN  29  -4.042 -13.424  -6.430
  216   2HD2  ASN  29          2HD2      ASN  29  -4.772 -15.033  -6.557
  217    H    MET  30           H        MET  30  -8.302 -10.783  -3.663
  218    HA   MET  30           HA       MET  30 -10.371 -12.742  -3.124
  219   1HB   MET  30          1HB       MET  30  -9.326 -10.207  -1.859
  220   2HB   MET  30          2HB       MET  30 -10.840 -10.881  -1.282
  221   1HG   MET  30          1HG       MET  30  -8.641 -12.866  -1.620
  222   2HG   MET  30          2HG       MET  30  -8.342 -11.633  -0.402
  223   1HE   MET  30          1HE       MET  30 -10.099 -10.813   1.138
  224   2HE   MET  30          2HE       MET  30 -11.115 -11.892   2.114
  225   3HE   MET  30          3HE       MET  30  -9.341 -12.004   2.217
  226    H    LEU  31           H        LEU  31 -10.457  -9.978  -5.133
  227    HA   LEU  31           HA       LEU  31 -13.427  -9.896  -4.990
  228   1HB   LEU  31          1HB       LEU  31 -11.710  -7.818  -4.683
  229   2HB   LEU  31          2HB       LEU  31 -11.840  -7.761  -6.416
  230   1HD1  LEU  31          1HD1      LEU  31 -13.194  -6.909  -3.264
  231   2HD1  LEU  31          2HD1      LEU  31 -12.982  -5.534  -4.357
  232   3HD1  LEU  31          3HD1      LEU  31 -14.616  -6.047  -3.861
  233   1HD2  LEU  31          1HD2      LEU  31 -15.211  -6.572  -6.641
  234   2HD2  LEU  31          2HD2      LEU  31 -13.773  -5.534  -6.532
  235   3HD2  LEU  31          3HD2      LEU  31 -13.727  -7.040  -7.470
  236   1HG   LEU  31          1HG       LEU  31 -14.477  -8.069  -5.107
  237    H    THR  32           H        THR  32 -11.131 -11.447  -6.685
  238    HA   THR  32           HA       THR  32 -10.853 -12.320  -8.748
  239    HB   THR  32           HB       THR  32 -13.881 -12.192  -8.924
  240    HG1  THR  32           HG1      THR  32 -13.773 -14.111  -7.755
  241   1HG2  THR  32          1HG2      THR  32 -11.833 -14.211  -9.960
  242   2HG2  THR  32          2HG2      THR  32 -13.587 -14.492  -9.916
  243   3HG2  THR  32          3HG2      THR  32 -12.937 -13.224 -10.948
  244    H    ARG  33           H        ARG  33 -10.879  -9.365  -8.545
  245    HA   ARG  33           HA       ARG  33 -11.499  -8.637 -11.387
  246   1HB   ARG  33          1HB       ARG  33 -13.126  -7.724  -9.732
  247   2HB   ARG  33          2HB       ARG  33 -11.809  -6.807  -9.003
  248   1HG   ARG  33          1HG       ARG  33 -11.594  -6.277 -11.805
  249   2HG   ARG  33          2HG       ARG  33 -13.326  -6.342 -11.505
  250   1HD   ARG  33          1HD       ARG  33 -12.537  -4.064 -11.278
  251   2HD   ARG  33          2HD       ARG  33 -13.046  -4.666  -9.686
  252    HE   ARG  33           HNE      ARG  33 -10.223  -5.129 -10.156
  253   1HH1  ARG  33          2HH2      ARG  33 -12.480  -2.787  -8.942
  254   2HH1  ARG  33          1HH2      ARG  33 -11.282  -1.901  -8.023
  255   1HH2  ARG  33          2HH1      ARG  33  -8.684  -3.934  -9.102
  256   2HH2  ARG  33          1HH1      ARG  33  -9.136  -2.573  -8.109
  257    HA   PRO  34           HA       PRO  34  -7.013  -7.933 -10.694
  258   1HB   PRO  34          1HB       PRO  34  -6.224  -8.472 -13.291
  259   2HB   PRO  34          2HB       PRO  34  -6.343  -9.656 -11.961
  260   1HG   PRO  34          1HG       PRO  34  -8.200  -9.241 -14.258
  261   2HG   PRO  34          2HG       PRO  34  -7.868 -10.724 -13.314
  262   1HD   PRO  34          1HD       PRO  34 -10.086  -8.990 -13.045
  263   2HD   PRO  34          2HD       PRO  34  -9.611 -10.273 -11.895
  264    H    ARG  35           H        ARG  35  -5.558  -6.363 -11.622
  265    HA   ARG  35           HA       ARG  35  -6.730  -3.809 -12.097
  266   1HB   ARG  35          1HB       ARG  35  -4.468  -3.014 -12.473
  267   2HB   ARG  35          2HB       ARG  35  -4.500  -4.136 -11.112
  268   1HG   ARG  35          1HG       ARG  35  -3.853  -5.935 -12.957
  269   2HG   ARG  35          2HG       ARG  35  -3.349  -4.532 -13.893
  270   1HD   ARG  35          1HD       ARG  35  -1.708  -3.909 -12.258
  271   2HD   ARG  35          2HD       ARG  35  -2.374  -5.002 -11.044
  272    HE   ARG  35           HNE      ARG  35  -0.487  -5.661 -13.118
  273   1HH1  ARG  35          2HH2      ARG  35  -2.920  -7.064 -11.061
  274   2HH1  ARG  35          1HH2      ARG  35  -2.456  -8.716 -11.386
  275   1HH2  ARG  35          2HH1      ARG  35   0.131  -7.818 -13.512
  276   2HH2  ARG  35          1HH1      ARG  35  -0.820  -9.106 -12.830
  277    H    TYR  36           H        TYR  36  -7.523  -2.895 -13.844
  278    HA   TYR  36           HA       TYR  36  -7.921  -4.366 -16.225
  279   1HB   TYR  36          1HB       TYR  36  -9.304  -2.477 -15.069
  280   2HB   TYR  36          2HB       TYR  36  -8.301  -1.370 -15.986
  281    HD1  TYR  36           HD1      TYR  36 -10.409  -4.462 -16.381
  282    HD2  TYR  36           HD2      TYR  36  -9.066  -0.770 -18.156
  283    HE1  TYR  36           HE1      TYR  36 -11.972  -4.819 -18.286
  284    HE2  TYR  36           HE2      TYR  36 -10.656  -1.121 -20.062
  285    HH   TYR  36           HH       TYR  36 -12.170  -4.039 -20.747
  286   1HN   NH2  37          1HN       NH2  37  -6.150  -4.910 -17.549
  287   2HN   NH2  37          2HN       NH2  37  -5.053  -3.652 -18.141
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1   2.837   0.446  16.752
    2   2H    ALA   1          2H        ALA   1   4.241  -0.411  16.849
    3   3H    ALA   1          3H        ALA   1   3.660   0.050  15.381
    4    HA   ALA   1           HA       ALA   1   2.074  -1.492  15.278
    5   1HB   ALA   1          1HB       ALA   1   4.567  -2.521  16.471
    6   2HB   ALA   1          2HB       ALA   1   3.163  -3.583  16.702
    7   3HB   ALA   1          3HB       ALA   1   3.628  -3.078  15.071
    8    HA   PRO   2           HA       PRO   2   0.215  -2.575  19.475
    9   1HB   PRO   2          1HB       PRO   2   1.329  -1.792  21.875
   10   2HB   PRO   2          2HB       PRO   2   1.763  -3.264  20.983
   11   1HG   PRO   2          1HG       PRO   2   3.243  -0.643  21.110
   12   2HG   PRO   2          2HG       PRO   2   3.888  -2.314  21.078
   13   1HD   PRO   2          1HD       PRO   2   3.709  -0.599  18.896
   14   2HD   PRO   2          2HD       PRO   2   3.853  -2.376  18.791
   15    H    LEU   3           H        LEU   3  -0.396  -0.430  17.950
   16    HA   LEU   3           HA       LEU   3  -1.985   1.296  19.592
   17   1HB   LEU   3          1HB       LEU   3  -0.997   3.438  18.750
   18   2HB   LEU   3          2HB       LEU   3  -0.072   2.619  19.967
   19   1HD1  LEU   3          1HD1      LEU   3   3.032   2.374  18.138
   20   2HD1  LEU   3          2HD1      LEU   3   2.245   2.476  19.715
   21   3HD1  LEU   3          3HD1      LEU   3   2.034   1.027  18.737
   22   1HD2  LEU   3          1HD2      LEU   3   1.701   2.491  16.049
   23   2HD2  LEU   3          2HD2      LEU   3   0.668   1.145  16.581
   24   3HD2  LEU   3          3HD2      LEU   3  -0.049   2.693  16.109
   25   1HG   LEU   3          1HG       LEU   3   1.096   3.802  17.991
   26    H    GLU   4           H        GLU   4  -3.184   2.892  18.187
   27    HA   GLU   4           HA       GLU   4  -3.064   2.693  15.344
   28   1HB   GLU   4          1HB       GLU   4  -4.472   0.565  16.414
   29   2HB   GLU   4          2HB       GLU   4  -5.773   1.673  16.055
   30   1HG   GLU   4          1HG       GLU   4  -4.988   1.877  13.725
   31   2HG   GLU   4          2HG       GLU   4  -3.608   0.835  14.071
   32    HA   PRO   5           HA       PRO   5  -4.979   6.500  17.157
   33   1HB   PRO   5          1HB       PRO   5  -3.336   8.345  15.879
   34   2HB   PRO   5          2HB       PRO   5  -3.042   7.627  17.483
   35   1HG   PRO   5          1HG       PRO   5  -1.718   7.007  14.884
   36   2HG   PRO   5          2HG       PRO   5  -1.096   6.837  16.549
   37   1HD   PRO   5          1HD       PRO   5  -2.122   4.774  14.888
   38   2HD   PRO   5          2HD       PRO   5  -1.763   4.652  16.631
   39    H    GLU   6           H        GLU   6  -4.825   5.064  14.216
   40    HA   GLU   6           HA       GLU   6  -5.659   5.217  12.153
   41   1HB   GLU   6          1HB       GLU   6  -7.812   6.851  13.535
   42   2HB   GLU   6          2HB       GLU   6  -7.877   6.360  11.843
   43   1HG   GLU   6          1HG       GLU   6  -7.484   3.948  12.701
   44   2HG   GLU   6          2HG       GLU   6  -7.920   4.571  14.291
   45    H    TYR   7           H        TYR   7  -6.338   6.675  10.292
   46    HA   TYR   7           HA       TYR   7  -5.252   9.372  10.342
   47   1HB   TYR   7          1HB       TYR   7  -3.259   7.712  10.161
   48   2HB   TYR   7          2HB       TYR   7  -3.771   7.458   8.514
   49    HD1  TYR   7           HD1      TYR   7  -1.769   9.394  10.683
   50    HD2  TYR   7           HD2      TYR   7  -4.159   9.759   7.106
   51    HE1  TYR   7           HE1      TYR   7  -0.554  11.473  10.085
   52    HE2  TYR   7           HE2      TYR   7  -2.937  11.845   6.514
   53    HH   TYR   7           HH       TYR   7  -0.891  13.515   8.735
   54    HA   PRO   8           HA       PRO   8  -8.472   8.657   7.132
   55   1HB   PRO   8          1HB       PRO   8  -9.957  10.940   7.595
   56   2HB   PRO   8          2HB       PRO   8 -10.197   9.375   8.421
   57   1HG   PRO   8          1HG       PRO   8  -8.898  11.861   9.461
   58   2HG   PRO   8          2HG       PRO   8  -9.781  10.582  10.347
   59   1HD   PRO   8          1HD       PRO   8  -6.966  10.877  10.137
   60   2HD   PRO   8          2HD       PRO   8  -7.830   9.433  10.741
   61    H    GLY   9           H        GLY   9  -8.181   9.266   5.109
   62   1HA   GLY   9          1HA       GLY   9  -8.000  10.974   3.380
   63   2HA   GLY   9          2HA       GLY   9  -6.864  11.852   4.408
   64    H    ASP  10           H        ASP  10  -6.412  11.092   1.728
   65    HA   ASP  10           HA       ASP  10  -4.367   8.950   1.832
   66   1HB   ASP  10          1HB       ASP  10  -5.727  10.314  -0.517
   67   2HB   ASP  10          2HB       ASP  10  -4.522   9.027  -0.618
   68    H    ASN  11           H        ASN  11  -2.836  10.173   2.971
   69    HA   ASN  11           HA       ASN  11  -0.926  11.489   1.297
   70   1HB   ASN  11          1HB       ASN  11  -2.889  13.257   2.444
   71   2HB   ASN  11          2HB       ASN  11  -1.401  13.522   3.334
   72   1HD2  ASN  11          1HD2      ASN  11  -2.769  13.387   0.090
   73   2HD2  ASN  11          2HD2      ASN  11  -1.559  14.520  -0.596
   74    H    ALA  12           H        ALA  12   0.608  10.050   2.057
   75    HA   ALA  12           HA       ALA  12   1.769  10.761   4.577
   76   1HB   ALA  12          1HB       ALA  12   1.064   7.817   4.298
   77   2HB   ALA  12          2HB       ALA  12   1.626   8.703   5.737
   78   3HB   ALA  12          3HB       ALA  12  -0.019   8.945   5.138
   79    H    THR  13           H        THR  13   3.793   9.274   4.895
   80    HA   THR  13           HA       THR  13   5.557   9.558   2.729
   81    HB   THR  13           HB       THR  13   7.007   8.025   4.130
   82    HG1  THR  13           HG1      THR  13   6.127   7.418   6.128
   83   1HG2  THR  13          1HG2      THR  13   6.856  10.515   4.584
   84   2HG2  THR  13          2HG2      THR  13   5.642  10.146   5.834
   85   3HG2  THR  13          3HG2      THR  13   7.294   9.518   5.983
   86    HA   PRO  14           HA       PRO  14   4.673   6.078   0.211
   87   1HB   PRO  14          1HB       PRO  14   7.123   5.468  -0.921
   88   2HB   PRO  14          2HB       PRO  14   6.093   6.850  -1.381
   89   1HG   PRO  14          1HG       PRO  14   8.570   6.836   0.301
   90   2HG   PRO  14          2HG       PRO  14   7.943   8.111  -0.786
   91   1HD   PRO  14          1HD       PRO  14   7.706   8.042   2.017
   92   2HD   PRO  14          2HD       PRO  14   6.743   9.073   0.920
   93    H    GLU  15           H        GLU  15   6.704   5.714   2.941
   94    HA   GLU  15           HA       GLU  15   6.891   2.787   2.808
   95   1HB   GLU  15          1HB       GLU  15   7.987   2.980   4.956
   96   2HB   GLU  15          2HB       GLU  15   8.667   4.171   3.841
   97   1HG   GLU  15          1HG       GLU  15   7.219   5.917   4.831
   98   2HG   GLU  15          2HG       GLU  15   6.595   4.762   6.011
   99    H    GLN  16           H        GLN  16   4.496   5.114   3.839
  100    HA   GLN  16           HA       GLN  16   3.267   3.234   5.759
  101   1HB   GLN  16          1HB       GLN  16   3.418   5.990   5.738
  102   2HB   GLN  16          2HB       GLN  16   1.844   5.746   5.001
  103   1HG   GLN  16          1HG       GLN  16   1.329   5.878   7.264
  104   2HG   GLN  16          2HG       GLN  16   1.365   4.134   6.998
  105   1HE2  GLN  16          1HE2      GLN  16   2.571   3.002   8.601
  106   2HE2  GLN  16          2HE2      GLN  16   3.877   3.800   9.480
  107    H    MET  17           H        MET  17   2.285   4.986   2.771
  108    HA   MET  17           HA       MET  17  -0.129   3.488   2.401
  109   1HB   MET  17          1HB       MET  17   1.274   5.608   0.998
  110   2HB   MET  17          2HB       MET  17   0.878   4.343  -0.156
  111   1HG   MET  17          1HG       MET  17  -1.511   4.479   1.128
  112   2HG   MET  17          2HG       MET  17  -0.933   6.116   1.427
  113   1HE   MET  17          1HE       MET  17  -2.438   4.167  -2.397
  114   2HE   MET  17          2HE       MET  17  -1.883   3.361  -0.914
  115   3HE   MET  17          3HE       MET  17  -3.350   4.368  -0.885
  116    H    ALA  18           H        ALA  18   3.180   2.626   1.684
  117    HA   ALA  18           HA       ALA  18   2.856   0.621  -0.259
  118   1HB   ALA  18          1HB       ALA  18   4.767   0.895   2.100
  119   2HB   ALA  18          2HB       ALA  18   4.930  -0.339   0.830
  120   3HB   ALA  18          3HB       ALA  18   5.032   1.371   0.405
  121    H    GLN  19           H        GLN  19   2.101   0.519   3.219
  122    HA   GLN  19           HA       GLN  19   1.675  -2.338   3.377
  123   1HB   GLN  19          1HB       GLN  19   1.633  -0.030   5.127
  124   2HB   GLN  19          2HB       GLN  19   0.120  -0.884   5.346
  125   1HG   GLN  19          1HG       GLN  19   2.690  -2.489   5.328
  126   2HG   GLN  19          2HG       GLN  19   2.359  -1.449   6.705
  127   1HE2  GLN  19          1HE2      GLN  19   1.296  -2.458   8.379
  128   2HE2  GLN  19          2HE2      GLN  19   0.203  -3.825   8.111
  129    H    TYR  20           H        TYR  20  -0.605   0.417   3.106
  130    HA   TYR  20           HA       TYR  20  -2.989  -1.097   2.703
  131   1HB   TYR  20          1HB       TYR  20  -2.085   1.730   2.206
  132   2HB   TYR  20          2HB       TYR  20  -3.505   1.186   1.341
  133    HD1  TYR  20           HD1      TYR  20  -5.585   0.645   2.432
  134    HD2  TYR  20           HD2      TYR  20  -2.153   1.918   4.713
  135    HE1  TYR  20           HE1      TYR  20  -7.056   1.075   4.387
  136    HE2  TYR  20           HE2      TYR  20  -3.642   2.355   6.680
  137    HH   TYR  20           HH       TYR  20  -7.058   1.496   6.722
  138    H    ALA  21           H        ALA  21  -0.684   0.241   0.271
  139    HA   ALA  21           HA       ALA  21  -2.035  -0.676  -2.050
  140   1HB   ALA  21          1HB       ALA  21   0.924  -0.234  -1.465
  141   2HB   ALA  21          2HB       ALA  21   0.246  -0.493  -3.088
  142   3HB   ALA  21          3HB       ALA  21  -0.225   0.939  -2.147
  143    H    ALA  22           H        ALA  22   0.458  -2.369  -0.032
  144    HA   ALA  22           HA       ALA  22   0.472  -4.783  -1.541
  145   1HB   ALA  22          1HB       ALA  22   2.133  -4.144   0.228
  146   2HB   ALA  22          2HB       ALA  22   0.894  -4.471   1.460
  147   3HB   ALA  22          3HB       ALA  22   1.478  -5.782   0.416
  148    H    GLU  23           H        GLU  23  -1.682  -3.722   1.153
  149    HA   GLU  23           HA       GLU  23  -3.226  -6.100   1.290
  150   1HB   GLU  23          1HB       GLU  23  -3.235  -4.123   2.894
  151   2HB   GLU  23          2HB       GLU  23  -4.360  -3.332   1.775
  152   1HG   GLU  23          1HG       GLU  23  -5.907  -5.259   1.954
  153   2HG   GLU  23          2HG       GLU  23  -4.784  -6.070   3.049
  154    H    LEU  24           H        LEU  24  -3.647  -3.228  -0.797
  155    HA   LEU  24           HA       LEU  24  -6.037  -3.976  -2.063
  156   1HB   LEU  24          1HB       LEU  24  -4.275  -1.854  -2.284
  157   2HB   LEU  24          2HB       LEU  24  -4.015  -2.656  -3.815
  158   1HD1  LEU  24          1HD1      LEU  24  -7.633  -3.207  -3.934
  159   2HD1  LEU  24          2HD1      LEU  24  -7.273  -2.110  -5.281
  160   3HD1  LEU  24          3HD1      LEU  24  -6.205  -3.471  -4.952
  161   1HD2  LEU  24          1HD2      LEU  24  -7.828  -0.954  -2.840
  162   2HD2  LEU  24          2HD2      LEU  24  -7.031  -2.023  -1.673
  163   3HD2  LEU  24          3HD2      LEU  24  -6.366  -0.413  -1.995
  164   1HG   LEU  24          1HG       LEU  24  -5.643  -0.991  -4.169
  165    H    ARG  25           H        ARG  25  -2.704  -4.823  -3.115
  166    HA   ARG  25           HA       ARG  25  -3.345  -6.424  -5.376
  167   1HB   ARG  25          1HB       ARG  25  -1.085  -5.969  -4.984
  168   2HB   ARG  25          2HB       ARG  25  -1.119  -6.545  -3.332
  169   1HG   ARG  25          1HG       ARG  25  -1.623  -8.548  -5.551
  170   2HG   ARG  25          2HG       ARG  25   0.013  -7.949  -5.279
  171   1HD   ARG  25          1HD       ARG  25  -0.142  -8.575  -2.884
  172   2HD   ARG  25          2HD       ARG  25  -1.722  -9.312  -3.181
  173    HE   ARG  25           HNE      ARG  25  -0.295 -10.645  -4.985
  174   1HH1  ARG  25          2HH2      ARG  25   0.531  -9.967  -1.667
  175   2HH1  ARG  25          1HH2      ARG  25   1.529 -11.376  -1.471
  176   1HH2  ARG  25          2HH1      ARG  25   0.913 -12.529  -4.708
  177   2HH2  ARG  25          1HH1      ARG  25   1.684 -12.854  -3.190
  178    H    ARG  26           H        ARG  26  -3.686  -7.253  -1.981
  179    HA   ARG  26           HA       ARG  26  -4.367 -10.071  -2.529
  180   1HB   ARG  26          1HB       ARG  26  -5.009  -8.786   0.123
  181   2HB   ARG  26          2HB       ARG  26  -4.431 -10.411  -0.254
  182   1HG   ARG  26          1HG       ARG  26  -2.220  -9.138  -0.994
  183   2HG   ARG  26          2HG       ARG  26  -2.917  -7.824  -0.039
  184   1HD   ARG  26          1HD       ARG  26  -2.402 -10.598   1.015
  185   2HD   ARG  26          2HD       ARG  26  -1.235  -9.264   1.121
  186    HE   ARG  26           HNE      ARG  26  -3.455  -8.149   2.247
  187   1HH1  ARG  26          2HH2      ARG  26  -1.711 -11.089   2.925
  188   2HH1  ARG  26          1HH2      ARG  26  -2.225 -11.168   4.590
  189   1HH2  ARG  26          2HH1      ARG  26  -3.962  -8.160   4.445
  190   2HH2  ARG  26          1HH1      ARG  26  -3.518  -9.548   5.401
  191    H    TYR  27           H        TYR  27  -6.078  -7.159  -1.432
  192    HA   TYR  27           HA       TYR  27  -8.719  -8.065  -1.384
  193   1HB   TYR  27          1HB       TYR  27  -7.523  -5.699  -0.929
  194   2HB   TYR  27          2HB       TYR  27  -8.132  -5.347  -2.531
  195    HD1  TYR  27           HD1      TYR  27  -8.879  -5.503   0.982
  196    HD2  TYR  27           HD2      TYR  27 -10.700  -5.707  -2.916
  197    HE1  TYR  27           HE1      TYR  27 -11.107  -4.998   1.976
  198    HE2  TYR  27           HE2      TYR  27 -12.908  -5.186  -1.937
  199    HH   TYR  27           HH       TYR  27 -14.010  -4.515  -0.004
  200    H    ILE  28           H        ILE  28  -6.833  -6.954  -4.204
  201    HA   ILE  28           HA       ILE  28  -8.764  -7.217  -6.227
  202    HB   ILE  28           HB       ILE  28  -5.773  -7.373  -6.149
  203   1HG1  ILE  28          1HG1      ILE  28  -7.674  -5.486  -7.589
  204   2HG1  ILE  28          2HG1      ILE  28  -7.123  -5.260  -5.946
  205   1HG2  ILE  28          1HG2      ILE  28  -6.097  -7.276  -8.845
  206   2HG2  ILE  28          2HG2      ILE  28  -5.747  -8.752  -7.940
  207   3HG2  ILE  28          3HG2      ILE  28  -7.391  -8.403  -8.435
  208   1HD1  ILE  28          1HD1      ILE  28  -5.640  -3.927  -7.170
  209   2HD1  ILE  28          2HD1      ILE  28  -4.707  -5.414  -6.927
  210   3HD1  ILE  28          3HD1      ILE  28  -5.498  -5.100  -8.489
  211    H    ASN  29           H        ASN  29  -6.379  -9.769  -5.315
  212    HA   ASN  29           HA       ASN  29  -7.599 -11.762  -6.969
  213   1HB   ASN  29          1HB       ASN  29  -5.269 -11.761  -5.957
  214   2HB   ASN  29          2HB       ASN  29  -6.006 -12.215  -4.414
  215   1HD2  ASN  29          1HD2      ASN  29  -5.130 -14.356  -4.259
  216   2HD2  ASN  29          2HD2      ASN  29  -5.426 -15.545  -5.533
  217    H    MET  30           H        MET  30  -8.374 -10.603  -3.744
  218    HA   MET  30           HA       MET  30 -10.324 -12.677  -3.150
  219   1HB   MET  30          1HB       MET  30  -8.870 -11.025  -1.603
  220   2HB   MET  30          2HB       MET  30 -10.297 -10.008  -1.752
  221   1HG   MET  30          1HG       MET  30 -10.773 -11.263   0.154
  222   2HG   MET  30          2HG       MET  30 -11.609 -12.187  -1.092
  223   1HE   MET  30          1HE       MET  30  -8.838 -12.201   1.675
  224   2HE   MET  30          2HE       MET  30  -7.643 -13.338   1.011
  225   3HE   MET  30          3HE       MET  30  -7.921 -11.778   0.213
  226    H    LEU  31           H        LEU  31 -10.495  -9.807  -5.046
  227    HA   LEU  31           HA       LEU  31 -13.481  -9.818  -4.959
  228   1HB   LEU  31          1HB       LEU  31 -13.550  -7.568  -5.210
  229   2HB   LEU  31          2HB       LEU  31 -12.119  -7.752  -4.240
  230   1HD1  LEU  31          1HD1      LEU  31 -13.591  -6.336  -7.073
  231   2HD1  LEU  31          2HD1      LEU  31 -12.156  -5.725  -7.894
  232   3HD1  LEU  31          3HD1      LEU  31 -12.679  -7.377  -8.183
  233   1HD2  LEU  31          1HD2      LEU  31 -10.339  -6.169  -4.919
  234   2HD2  LEU  31          2HD2      LEU  31 -10.558  -5.274  -6.398
  235   3HD2  LEU  31          3HD2      LEU  31 -11.839  -5.239  -5.162
  236   1HG   LEU  31          1HG       LEU  31 -10.929  -7.717  -6.659
  237    H    THR  32           H        THR  32 -11.038 -11.044  -6.712
  238    HA   THR  32           HA       THR  32 -10.785 -11.964  -8.761
  239    HB   THR  32           HB       THR  32 -13.767 -11.491  -9.144
  240    HG1  THR  32           HG1      THR  32 -13.241 -12.655  -7.302
  241   1HG2  THR  32          1HG2      THR  32 -13.524 -13.710 -10.440
  242   2HG2  THR  32          2HG2      THR  32 -13.054 -12.235 -11.274
  243   3HG2  THR  32          3HG2      THR  32 -11.800 -13.298 -10.588
  244    H    ARG  33           H        ARG  33 -10.272  -9.140  -8.306
  245    HA   ARG  33           HA       ARG  33 -11.411  -7.346 -10.045
  246   1HB   ARG  33          1HB       ARG  33  -9.598  -6.990  -8.191
  247   2HB   ARG  33          2HB       ARG  33  -8.476  -6.969  -9.535
  248   1HG   ARG  33          1HG       ARG  33 -10.916  -5.241  -9.745
  249   2HG   ARG  33          2HG       ARG  33  -9.675  -4.762  -8.605
  250   1HD   ARG  33          1HD       ARG  33  -8.759  -5.488 -11.377
  251   2HD   ARG  33          2HD       ARG  33  -9.699  -4.002 -11.175
  252    HE   ARG  33           HNE      ARG  33  -7.577  -4.169  -9.223
  253   1HH1  ARG  33          2HH2      ARG  33  -8.154  -3.353 -12.563
  254   2HH1  ARG  33          1HH2      ARG  33  -6.854  -2.190 -12.650
  255   1HH2  ARG  33          2HH1      ARG  33  -5.887  -2.671  -9.342
  256   2HH2  ARG  33          1HH1      ARG  33  -5.563  -1.865 -10.847
  257    HA   PRO  34           HA       PRO  34  -9.903  -9.288 -13.790
  258   1HB   PRO  34          1HB       PRO  34 -11.742  -8.231 -15.571
  259   2HB   PRO  34          2HB       PRO  34 -12.009  -9.660 -14.533
  260   1HG   PRO  34          1HG       PRO  34 -13.085  -6.895 -14.204
  261   2HG   PRO  34          2HG       PRO  34 -13.756  -8.460 -13.647
  262   1HD   PRO  34          1HD       PRO  34 -12.314  -6.557 -12.099
  263   2HD   PRO  34          2HD       PRO  34 -12.767  -8.209 -11.612
  264    H    ARG  35           H        ARG  35  -8.178  -8.592 -14.831
  265    HA   ARG  35           HA       ARG  35  -7.904  -5.706 -15.516
  266   1HB   ARG  35          1HB       ARG  35  -6.502  -6.745 -13.493
  267   2HB   ARG  35          2HB       ARG  35  -5.516  -7.419 -14.800
  268   1HG   ARG  35          1HG       ARG  35  -5.122  -5.129 -15.691
  269   2HG   ARG  35          2HG       ARG  35  -6.223  -4.475 -14.473
  270   1HD   ARG  35          1HD       ARG  35  -4.198  -4.039 -13.496
  271   2HD   ARG  35          2HD       ARG  35  -4.617  -5.554 -12.714
  272    HE   ARG  35           HNE      ARG  35  -2.454  -5.012 -14.641
  273   1HH1  ARG  35          2HH2      ARG  35  -4.158  -7.646 -13.098
  274   2HH1  ARG  35          1HH2      ARG  35  -2.829  -8.758 -13.291
  275   1HH2  ARG  35          2HH1      ARG  35  -0.750  -6.439 -14.865
  276   2HH2  ARG  35          1HH1      ARG  35  -0.872  -8.040 -14.292
  277    H    TYR  36           H        TYR  36  -7.267  -5.301 -17.540
  278    HA   TYR  36           HA       TYR  36  -6.759  -5.571 -19.721
  279   1HB   TYR  36          1HB       TYR  36  -4.819  -7.223 -18.291
  280   2HB   TYR  36          2HB       TYR  36  -5.184  -7.946 -19.829
  281    HD1  TYR  36           HD1      TYR  36  -4.262  -4.660 -18.239
  282    HD2  TYR  36           HD2      TYR  36  -4.052  -7.166 -21.746
  283    HE1  TYR  36           HE1      TYR  36  -2.695  -3.036 -19.319
  284    HE2  TYR  36           HE2      TYR  36  -2.501  -5.555 -22.813
  285    HH   TYR  36           HH       TYR  36  -1.414  -3.548 -22.602
  286   1HN   NH2  37          1HN       NH2  37  -6.819  -7.369 -21.693
  287   2HN   NH2  37          2HN       NH2  37  -8.309  -8.291 -21.524
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1   3.053  12.082   7.150
    2   2H    ALA   1          2H        ALA   1   4.346  12.041   8.182
    3   3H    ALA   1          3H        ALA   1   3.471  10.666   7.855
    4    HA   ALA   1           HA       ALA   1   3.095  11.939  10.040
    5   1HB   ALA   1          1HB       ALA   1   1.837  13.840   9.940
    6   2HB   ALA   1          2HB       ALA   1   2.469  13.976   8.296
    7   3HB   ALA   1          3HB       ALA   1   0.867  13.268   8.573
    8    HA   PRO   2           HA       PRO   2   0.110   8.730  10.274
    9   1HB   PRO   2          1HB       PRO   2  -1.920   9.619  11.957
   10   2HB   PRO   2          2HB       PRO   2  -0.318   9.039  12.486
   11   1HG   PRO   2          1HG       PRO   2  -1.348  11.832  12.359
   12   2HG   PRO   2          2HG       PRO   2  -0.058  11.142  13.386
   13   1HD   PRO   2          1HD       PRO   2   0.243  12.681  11.024
   14   2HD   PRO   2          2HD       PRO   2   1.546  11.806  11.883
   15    H    LEU   3           H        LEU   3  -1.581  11.843   9.811
   16    HA   LEU   3           HA       LEU   3  -3.307  12.531   8.552
   17   1HB   LEU   3          1HB       LEU   3  -2.058  10.442   6.822
   18   2HB   LEU   3          2HB       LEU   3  -3.724  10.746   6.453
   19   1HD1  LEU   3          1HD1      LEU   3  -4.515  12.929   5.808
   20   2HD1  LEU   3          2HD1      LEU   3  -3.621  14.054   6.853
   21   3HD1  LEU   3          3HD1      LEU   3  -3.382  14.069   5.089
   22   1HD2  LEU   3          1HD2      LEU   3  -0.662  13.583   5.751
   23   2HD2  LEU   3          2HD2      LEU   3  -1.369  13.772   7.373
   24   3HD2  LEU   3          3HD2      LEU   3  -0.472  12.294   6.953
   25   1HG   LEU   3          1HG       LEU   3  -2.233  12.021   5.068
   26    H    GLU   4           H        GLU   4  -5.509  11.677   7.499
   27    HA   GLU   4           HA       GLU   4  -6.645   9.635   9.320
   28   1HB   GLU   4          1HB       GLU   4  -7.397  12.524   9.056
   29   2HB   GLU   4          2HB       GLU   4  -8.734  11.410   8.948
   30   1HG   GLU   4          1HG       GLU   4  -8.796  11.457  11.174
   31   2HG   GLU   4          2HG       GLU   4  -7.469  10.327  11.127
   32    HA   PRO   5           HA       PRO   5  -8.677   8.042   5.699
   33   1HB   PRO   5          1HB       PRO   5 -10.928   6.872   6.724
   34   2HB   PRO   5          2HB       PRO   5  -9.286   6.258   7.043
   35   1HG   PRO   5          1HG       PRO   5 -11.071   7.897   8.830
   36   2HG   PRO   5          2HG       PRO   5  -9.930   6.587   9.264
   37   1HD   PRO   5          1HD       PRO   5  -9.465   9.362   9.415
   38   2HD   PRO   5          2HD       PRO   5  -8.210   8.093   9.500
   39    H    GLU   6           H        GLU   6  -9.405  10.885   6.812
   40    HA   GLU   6           HA       GLU   6 -12.036  11.525   5.930
   41   1HB   GLU   6          1HB       GLU   6 -11.365  13.772   6.027
   42   2HB   GLU   6          2HB       GLU   6 -10.622  12.973   7.390
   43   1HG   GLU   6          1HG       GLU   6  -8.491  13.358   6.673
   44   2HG   GLU   6          2HG       GLU   6  -8.856  13.092   4.982
   45    H    TYR   7           H        TYR   7 -11.999  13.391   4.089
   46    HA   TYR   7           HA       TYR   7 -12.125  12.049   1.650
   47   1HB   TYR   7          1HB       TYR   7 -12.405  14.782   2.670
   48   2HB   TYR   7          2HB       TYR   7 -11.627  14.791   1.108
   49    HD1  TYR   7           HD1      TYR   7 -14.366  12.556   2.480
   50    HD2  TYR   7           HD2      TYR   7 -13.181  15.498  -0.440
   51    HE1  TYR   7           HE1      TYR   7 -16.569  12.320   1.361
   52    HE2  TYR   7           HE2      TYR   7 -15.408  15.283  -1.551
   53    HH   TYR   7           HH       TYR   7 -17.914  13.056  -0.348
   54    HA   PRO   8           HA       PRO   8  -7.939  11.853   0.239
   55   1HB   PRO   8          1HB       PRO   8  -8.301  11.701  -2.504
   56   2HB   PRO   8          2HB       PRO   8  -8.580  10.349  -1.370
   57   1HG   PRO   8          1HG       PRO   8 -10.588  12.108  -2.732
   58   2HG   PRO   8          2HG       PRO   8 -10.735  10.401  -2.220
   59   1HD   PRO   8          1HD       PRO   8 -11.732  12.673  -0.858
   60   2HD   PRO   8          2HD       PRO   8 -11.582  11.023  -0.185
   61    H    GLY   9           H        GLY   9  -6.315  13.070  -0.947
   62   1HA   GLY   9          1HA       GLY   9  -6.325  15.201  -2.578
   63   2HA   GLY   9          2HA       GLY   9  -6.981  15.960  -1.123
   64    H    ASP  10           H        ASP  10  -4.282  13.681  -1.920
   65    HA   ASP  10           HA       ASP  10  -2.226  15.442  -1.042
   66   1HB   ASP  10          1HB       ASP  10  -1.460  13.924   0.839
   67   2HB   ASP  10          2HB       ASP  10  -2.861  14.915   1.172
   68    H    ASN  11           H        ASN  11  -0.132  14.119  -0.944
   69    HA   ASN  11           HA       ASN  11  -0.034  11.570  -2.308
   70   1HB   ASN  11          1HB       ASN  11   0.416  14.017  -3.885
   71   2HB   ASN  11          2HB       ASN  11   1.864  13.024  -3.842
   72   1HD2  ASN  11          1HD2      ASN  11  -1.304  13.259  -5.155
   73   2HD2  ASN  11          2HD2      ASN  11  -1.210  11.715  -6.026
   74    H    ALA  12           H        ALA  12   0.723  11.062  -0.201
   75    HA   ALA  12           HA       ALA  12   3.379  12.142   0.565
   76   1HB   ALA  12          1HB       ALA  12   3.141  10.785   2.558
   77   2HB   ALA  12          2HB       ALA  12   1.669  11.750   2.330
   78   3HB   ALA  12          3HB       ALA  12   1.669  10.017   1.921
   79    H    THR  13           H        THR  13   5.226  10.871   0.505
   80    HA   THR  13           HA       THR  13   5.697   9.182  -1.649
   81    HB   THR  13           HB       THR  13   7.783   8.560  -0.344
   82    HG1  THR  13           HG1      THR  13   8.041   9.486   1.657
   83   1HG2  THR  13          1HG2      THR  13   7.619  10.716  -1.689
   84   2HG2  THR  13          2HG2      THR  13   7.189  11.545  -0.176
   85   3HG2  THR  13          3HG2      THR  13   8.770  10.758  -0.337
   86    HA   PRO  14           HA       PRO  14   4.155   5.240  -0.363
   87   1HB   PRO  14          1HB       PRO  14   5.674   3.460  -1.816
   88   2HB   PRO  14          2HB       PRO  14   4.442   4.543  -2.500
   89   1HG   PRO  14          1HG       PRO  14   7.427   4.844  -2.559
   90   2HG   PRO  14          2HG       PRO  14   6.209   5.303  -3.787
   91   1HD   PRO  14          1HD       PRO  14   7.423   7.019  -1.914
   92   2HD   PRO  14          2HD       PRO  14   5.948   7.378  -2.856
   93    H    GLU  15           H        GLU  15   5.558   6.305   1.647
   94    HA   GLU  15           HA       GLU  15   7.336   4.218   2.805
   95   1HB   GLU  15          1HB       GLU  15   7.975   5.826   4.418
   96   2HB   GLU  15          2HB       GLU  15   8.034   6.609   2.850
   97   1HG   GLU  15          1HG       GLU  15   6.603   8.223   3.471
   98   2HG   GLU  15          2HG       GLU  15   5.423   7.101   4.078
   99    H    GLN  16           H        GLN  16   4.118   5.416   2.994
  100    HA   GLN  16           HA       GLN  16   3.506   3.603   5.297
  101   1HB   GLN  16          1HB       GLN  16   3.352   6.248   5.565
  102   2HB   GLN  16          2HB       GLN  16   1.847   6.051   4.677
  103   1HG   GLN  16          1HG       GLN  16   1.022   5.820   6.805
  104   2HG   GLN  16          2HG       GLN  16   1.428   4.128   6.534
  105   1HE2  GLN  16          1HE2      GLN  16   3.726   3.430   7.383
  106   2HE2  GLN  16          2HE2      GLN  16   4.277   4.354   8.781
  107    H    MET  17           H        MET  17   2.070   5.149   2.376
  108    HA   MET  17           HA       MET  17  -0.146   3.410   2.140
  109   1HB   MET  17          1HB       MET  17   1.128   5.493   0.546
  110   2HB   MET  17          2HB       MET  17   0.710   4.136  -0.496
  111   1HG   MET  17          1HG       MET  17  -1.221   5.485   1.426
  112   2HG   MET  17          2HG       MET  17  -1.088   5.817  -0.301
  113   1HE   MET  17          1HE       MET  17  -3.696   5.486  -0.289
  114   2HE   MET  17          2HE       MET  17  -2.912   4.941  -1.793
  115   3HE   MET  17          3HE       MET  17  -4.213   3.967  -1.067
  116    H    ALA  18           H        ALA  18   3.212   2.732   1.479
  117    HA   ALA  18           HA       ALA  18   3.014   0.556  -0.307
  118   1HB   ALA  18          1HB       ALA  18   5.135  -0.188   0.875
  119   2HB   ALA  18          2HB       ALA  18   5.145   1.469   0.258
  120   3HB   ALA  18          3HB       ALA  18   4.910   1.171   1.998
  121    H    GLN  19           H        GLN  19   2.086   0.725   3.106
  122    HA   GLN  19           HA       GLN  19   1.842  -2.159   3.467
  123   1HB   GLN  19          1HB       GLN  19   1.781   0.237   5.079
  124   2HB   GLN  19          2HB       GLN  19   0.273  -0.587   5.356
  125   1HG   GLN  19          1HG       GLN  19   2.871  -2.165   5.410
  126   2HG   GLN  19          2HG       GLN  19   2.507  -1.077   6.741
  127   1HE2  GLN  19          1HE2      GLN  19   2.794  -3.777   7.312
  128   2HE2  GLN  19          2HE2      GLN  19   1.157  -4.365   7.689
  129    H    TYR  20           H        TYR  20  -0.598   0.481   3.251
  130    HA   TYR  20           HA       TYR  20  -2.876  -1.153   2.924
  131   1HB   TYR  20          1HB       TYR  20  -2.136   1.692   2.330
  132   2HB   TYR  20          2HB       TYR  20  -3.543   1.072   1.494
  133    HD1  TYR  20           HD1      TYR  20  -2.713   2.940   4.241
  134    HD2  TYR  20           HD2      TYR  20  -5.129  -0.475   3.160
  135    HE1  TYR  20           HE1      TYR  20  -4.271   3.451   6.105
  136    HE2  TYR  20           HE2      TYR  20  -6.673   0.031   5.049
  137    HH   TYR  20           HH       TYR  20  -6.535   3.018   6.819
  138    H    ALA  21           H        ALA  21  -0.728   0.186   0.359
  139    HA   ALA  21           HA       ALA  21  -2.231  -0.794  -1.840
  140   1HB   ALA  21          1HB       ALA  21  -0.347  -0.214  -3.147
  141   2HB   ALA  21          2HB       ALA  21  -0.291   0.911  -1.781
  142   3HB   ALA  21          3HB       ALA  21   0.792  -0.497  -1.808
  143    H    ALA  22           H        ALA  22   0.412  -2.333   0.057
  144    HA   ALA  22           HA       ALA  22   0.530  -4.796  -1.379
  145   1HB   ALA  22          1HB       ALA  22   1.465  -3.754   1.248
  146   2HB   ALA  22          2HB       ALA  22   1.146  -5.479   1.219
  147   3HB   ALA  22          3HB       ALA  22   2.289  -4.776   0.058
  148    H    GLU  23           H        GLU  23  -1.818  -3.599   0.996
  149    HA   GLU  23           HA       GLU  23  -3.144  -6.161   1.355
  150   1HB   GLU  23          1HB       GLU  23  -3.176  -3.879   2.815
  151   2HB   GLU  23          2HB       GLU  23  -4.612  -3.598   1.826
  152   1HG   GLU  23          1HG       GLU  23  -5.231  -6.079   2.507
  153   2HG   GLU  23          2HG       GLU  23  -4.015  -5.854   3.761
  154    H    LEU  24           H        LEU  24  -3.735  -3.245  -0.638
  155    HA   LEU  24           HA       LEU  24  -6.143  -4.057  -1.845
  156   1HB   LEU  24          1HB       LEU  24  -4.380  -1.874  -2.094
  157   2HB   LEU  24          2HB       LEU  24  -4.384  -2.574  -3.696
  158   1HD1  LEU  24          1HD1      LEU  24  -6.578  -2.939  -4.881
  159   2HD1  LEU  24          2HD1      LEU  24  -7.668  -3.385  -3.562
  160   3HD1  LEU  24          3HD1      LEU  24  -7.937  -1.882  -4.458
  161   1HD2  LEU  24          1HD2      LEU  24  -7.691  -0.598  -1.945
  162   2HD2  LEU  24          2HD2      LEU  24  -7.694  -2.320  -1.502
  163   3HD2  LEU  24          3HD2      LEU  24  -6.373  -1.270  -0.970
  164   1HG   LEU  24          1HG       LEU  24  -6.022  -0.835  -3.535
  165    H    ARG  25           H        ARG  25  -2.822  -4.757  -2.926
  166    HA   ARG  25           HA       ARG  25  -3.391  -6.282  -5.266
  167   1HB   ARG  25          1HB       ARG  25  -1.154  -5.739  -4.798
  168   2HB   ARG  25          2HB       ARG  25  -1.199  -6.396  -3.173
  169   1HG   ARG  25          1HG       ARG  25  -1.595  -8.291  -5.519
  170   2HG   ARG  25          2HG       ARG  25  -0.001  -7.652  -5.196
  171   1HD   ARG  25          1HD       ARG  25   0.333  -9.248  -3.728
  172   2HD   ARG  25          2HD       ARG  25  -0.811  -8.462  -2.644
  173    HE   ARG  25           HNE      ARG  25  -2.493  -9.942  -4.160
  174   1HH1  ARG  25          2HH2      ARG  25   0.517 -10.881  -2.682
  175   2HH1  ARG  25          1HH2      ARG  25   0.060 -12.522  -2.344
  176   1HH2  ARG  25          2HH1      ARG  25  -3.108 -12.112  -3.768
  177   2HH2  ARG  25          1HH1      ARG  25  -2.000 -13.194  -2.976
  178    H    ARG  26           H        ARG  26  -3.801  -7.204  -1.900
  179    HA   ARG  26           HA       ARG  26  -4.317 -10.055  -2.513
  180   1HB   ARG  26          1HB       ARG  26  -5.085  -8.826   0.131
  181   2HB   ARG  26          2HB       ARG  26  -4.449 -10.432  -0.241
  182   1HG   ARG  26          1HG       ARG  26  -2.249  -9.179  -0.866
  183   2HG   ARG  26          2HG       ARG  26  -2.999  -7.800  -0.066
  184   1HD   ARG  26          1HD       ARG  26  -3.146  -9.015   2.037
  185   2HD   ARG  26          2HD       ARG  26  -2.457 -10.458   1.278
  186    HE   ARG  26           HNE      ARG  26  -1.048  -8.086   2.195
  187   1HH1  ARG  26          2HH2      ARG  26  -0.789 -10.603  -0.193
  188   2HH1  ARG  26          1HH2      ARG  26   0.967 -10.573  -0.218
  189   1HH2  ARG  26          2HH1      ARG  26   1.198  -7.953   2.013
  190   2HH2  ARG  26          1HH1      ARG  26   2.035  -8.985   0.895
  191    H    TYR  27           H        TYR  27  -6.096  -7.171  -1.535
  192    HA   TYR  27           HA       TYR  27  -8.712  -8.116  -1.515
  193   1HB   TYR  27          1HB       TYR  27  -7.651  -5.729  -1.069
  194   2HB   TYR  27          2HB       TYR  27  -8.118  -5.435  -2.737
  195    HD1  TYR  27           HD1      TYR  27  -9.239  -5.856   0.699
  196    HD2  TYR  27           HD2      TYR  27 -10.576  -5.629  -3.403
  197    HE1  TYR  27           HE1      TYR  27 -11.554  -5.368   1.475
  198    HE2  TYR  27           HE2      TYR  27 -12.886  -5.143  -2.620
  199    HH   TYR  27           HH       TYR  27 -14.220  -4.725  -0.798
  200    H    ILE  28           H        ILE  28  -6.920  -6.858  -4.374
  201    HA   ILE  28           HA       ILE  28  -8.834  -7.191  -6.380
  202    HB   ILE  28           HB       ILE  28  -5.828  -7.476  -6.335
  203   1HG1  ILE  28          1HG1      ILE  28  -7.698  -5.378  -7.536
  204   2HG1  ILE  28          2HG1      ILE  28  -6.948  -5.271  -5.965
  205   1HG2  ILE  28          1HG2      ILE  28  -7.528  -7.776  -8.832
  206   2HG2  ILE  28          2HG2      ILE  28  -5.799  -7.426  -8.841
  207   3HG2  ILE  28          3HG2      ILE  28  -6.394  -8.940  -8.176
  208   1HD1  ILE  28          1HD1      ILE  28  -5.734  -4.802  -8.620
  209   2HD1  ILE  28          2HD1      ILE  28  -5.339  -4.108  -7.035
  210   3HD1  ILE  28          3HD1      ILE  28  -4.708  -5.702  -7.480
  211    H    ASN  29           H        ASN  29  -6.512  -9.721  -5.361
  212    HA   ASN  29           HA       ASN  29  -7.611 -11.780  -7.012
  213   1HB   ASN  29          1HB       ASN  29  -5.346 -11.719  -5.834
  214   2HB   ASN  29          2HB       ASN  29  -6.196 -12.142  -4.338
  215   1HD2  ASN  29          1HD2      ASN  29  -5.541 -14.327  -4.000
  216   2HD2  ASN  29          2HD2      ASN  29  -5.717 -15.515  -5.303
  217    H    MET  30           H        MET  30  -8.396 -10.731  -3.706
  218    HA   MET  30           HA       MET  30 -10.471 -12.724  -3.244
  219   1HB   MET  30          1HB       MET  30  -9.458 -10.244  -1.833
  220   2HB   MET  30          2HB       MET  30 -10.967 -11.001  -1.320
  221   1HG   MET  30          1HG       MET  30  -9.806 -13.161  -1.043
  222   2HG   MET  30          2HG       MET  30  -8.294 -12.431  -1.588
  223   1HE   MET  30          1HE       MET  30 -10.410 -12.613   2.259
  224   2HE   MET  30          2HE       MET  30 -10.757 -10.933   1.786
  225   3HE   MET  30          3HE       MET  30 -11.190 -12.275   0.701
  226    H    LEU  31           H        LEU  31 -10.466  -9.862  -5.083
  227    HA   LEU  31           HA       LEU  31 -13.429  -9.613  -5.068
  228   1HB   LEU  31          1HB       LEU  31 -12.651  -7.502  -4.696
  229   2HB   LEU  31          2HB       LEU  31 -11.107  -7.816  -5.449
  230   1HD1  LEU  31          1HD1      LEU  31 -14.306  -7.230  -8.005
  231   2HD1  LEU  31          2HD1      LEU  31 -14.597  -7.456  -6.283
  232   3HD1  LEU  31          3HD1      LEU  31 -14.309  -5.825  -6.931
  233   1HD2  LEU  31          1HD2      LEU  31 -12.268  -5.123  -5.889
  234   2HD2  LEU  31          2HD2      LEU  31 -10.772  -5.835  -6.528
  235   3HD2  LEU  31          3HD2      LEU  31 -11.956  -5.173  -7.649
  236   1HG   LEU  31          1HG       LEU  31 -12.115  -7.570  -7.679
  237    H    THR  32           H        THR  32 -11.002 -11.224  -6.780
  238    HA   THR  32           HA       THR  32 -10.866 -12.243  -8.811
  239    HB   THR  32           HB       THR  32 -13.860 -11.922  -9.138
  240    HG1  THR  32           HG1      THR  32 -13.377 -12.681  -7.052
  241   1HG2  THR  32          1HG2      THR  32 -13.822 -14.016 -10.248
  242   2HG2  THR  32          2HG2      THR  32 -12.475 -13.134 -10.972
  243   3HG2  THR  32          3HG2      THR  32 -12.155 -14.368  -9.742
  244    H    ARG  33           H        ARG  33 -10.798  -9.224  -8.552
  245    HA   ARG  33           HA       ARG  33 -10.651  -8.603 -11.365
  246   1HB   ARG  33          1HB       ARG  33 -13.032  -7.752  -9.795
  247   2HB   ARG  33          2HB       ARG  33 -12.187  -6.392 -10.483
  248   1HG   ARG  33          1HG       ARG  33 -13.334  -6.753 -12.339
  249   2HG   ARG  33          2HG       ARG  33 -12.237  -8.073 -12.671
  250   1HD   ARG  33          1HD       ARG  33 -13.920  -9.564 -12.550
  251   2HD   ARG  33          2HD       ARG  33 -14.276  -9.098 -10.901
  252    HE   ARG  33           HNE      ARG  33 -16.015  -7.744 -11.618
  253   1HH1  ARG  33          2HH2      ARG  33 -14.141  -8.601 -14.426
  254   2HH1  ARG  33          1HH2      ARG  33 -15.320  -8.020 -15.569
  255   1HH2  ARG  33          2HH1      ARG  33 -17.520  -6.945 -13.104
  256   2HH2  ARG  33          1HH1      ARG  33 -17.186  -7.064 -14.805
  257    HA   PRO  34           HA       PRO  34  -7.677  -5.744  -9.682
  258   1HB   PRO  34          1HB       PRO  34  -7.193  -4.138 -11.856
  259   2HB   PRO  34          2HB       PRO  34  -6.606  -5.813 -11.685
  260   1HG   PRO  34          1HG       PRO  34  -8.878  -4.775 -13.342
  261   2HG   PRO  34          2HG       PRO  34  -7.789  -6.166 -13.639
  262   1HD   PRO  34          1HD       PRO  34 -10.420  -6.235 -12.557
  263   2HD   PRO  34          2HD       PRO  34  -9.248  -7.587 -12.610
  264    H    ARG  35           H        ARG  35  -7.262  -3.256  -9.733
  265    HA   ARG  35           HA       ARG  35  -9.662  -1.600  -9.772
  266   1HB   ARG  35          1HB       ARG  35  -9.609  -2.890  -7.525
  267   2HB   ARG  35          2HB       ARG  35  -8.240  -1.889  -7.091
  268   1HG   ARG  35          1HG       ARG  35  -9.594  -0.155  -6.584
  269   2HG   ARG  35          2HG       ARG  35 -10.349  -0.179  -8.178
  270   1HD   ARG  35          1HD       ARG  35 -11.834  -2.037  -7.466
  271   2HD   ARG  35          2HD       ARG  35 -11.149  -1.973  -5.842
  272    HE   ARG  35           HNE      ARG  35 -13.165  -0.245  -6.965
  273   1HH1  ARG  35          2HH2      ARG  35 -10.516  -0.097  -4.710
  274   2HH1  ARG  35          1HH2      ARG  35 -11.090   1.332  -3.894
  275   1HH2  ARG  35          2HH1      ARG  35 -14.008   1.508  -5.824
  276   2HH2  ARG  35          1HH1      ARG  35 -13.112   2.118  -4.464
  277    H    TYR  36           H        TYR  36  -8.434  -0.504 -11.348
  278    HA   TYR  36           HA       TYR  36  -7.152   1.172 -12.144
  279   1HB   TYR  36          1HB       TYR  36  -8.302   2.038  -9.815
  280   2HB   TYR  36          2HB       TYR  36  -6.633   2.406  -9.487
  281    HD1  TYR  36           HD1      TYR  36  -9.626   3.274 -11.335
  282    HD2  TYR  36           HD2      TYR  36  -5.378   3.956 -11.067
  283    HE1  TYR  36           HE1      TYR  36  -9.896   5.391 -12.607
  284    HE2  TYR  36           HE2      TYR  36  -5.646   6.082 -12.366
  285    HH   TYR  36           HH       TYR  36  -8.833   7.373 -13.189
  286   1HN   NH2  37          1HN       NH2  37  -5.341  -0.174 -12.908
  287   2HN   NH2  37          2HN       NH2  37  -3.873  -0.161 -11.917
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1 -10.160   5.665  21.752
    2   2H    ALA   1          2H        ALA   1 -10.022   4.222  20.965
    3   3H    ALA   1          3H        ALA   1  -9.052   4.574  22.262
    4    HA   ALA   1           HA       ALA   1  -7.921   4.765  20.081
    5   1HB   ALA   1          1HB       ALA   1  -8.479   6.879  18.816
    6   2HB   ALA   1          2HB       ALA   1  -9.769   5.666  18.789
    7   3HB   ALA   1          3HB       ALA   1  -9.894   7.081  19.862
    8    HA   PRO   2           HA       PRO   2  -5.302   7.211  22.635
    9   1HB   PRO   2          1HB       PRO   2  -3.263   7.920  20.897
   10   2HB   PRO   2          2HB       PRO   2  -3.502   6.300  21.568
   11   1HG   PRO   2          1HG       PRO   2  -4.136   7.289  18.813
   12   2HG   PRO   2          2HG       PRO   2  -3.650   5.659  19.355
   13   1HD   PRO   2          1HD       PRO   2  -6.271   6.541  18.772
   14   2HD   PRO   2          2HD       PRO   2  -5.837   5.031  19.619
   15    H    LEU   3           H        LEU   3  -4.614   9.152  19.761
   16    HA   LEU   3           HA       LEU   3  -6.533  11.204  20.212
   17   1HB   LEU   3          1HB       LEU   3  -5.109  12.997  20.862
   18   2HB   LEU   3          2HB       LEU   3  -5.008  11.755  22.087
   19   1HD1  LEU   3          1HD1      LEU   3  -2.962  13.104  22.882
   20   2HD1  LEU   3          2HD1      LEU   3  -1.597  13.320  21.760
   21   3HD1  LEU   3          3HD1      LEU   3  -3.116  14.170  21.463
   22   1HD2  LEU   3          1HD2      LEU   3  -2.969  10.436  22.402
   23   2HD2  LEU   3          2HD2      LEU   3  -2.554  10.032  20.714
   24   3HD2  LEU   3          3HD2      LEU   3  -1.433  10.977  21.686
   25   1HG   LEU   3          1HG       LEU   3  -2.862  12.260  19.968
   26    H    GLU   4           H        GLU   4  -6.853  12.171  18.234
   27    HA   GLU   4           HA       GLU   4  -4.642  12.382  16.359
   28   1HB   GLU   4          1HB       GLU   4  -5.857  11.332  14.519
   29   2HB   GLU   4          2HB       GLU   4  -5.529  10.174  15.794
   30   1HG   GLU   4          1HG       GLU   4  -7.830  10.204  16.541
   31   2HG   GLU   4          2HG       GLU   4  -8.217  11.587  15.509
   32    HA   PRO   5           HA       PRO   5  -7.021  16.063  15.455
   33   1HB   PRO   5          1HB       PRO   5  -6.111  16.709  12.917
   34   2HB   PRO   5          2HB       PRO   5  -5.218  16.991  14.435
   35   1HG   PRO   5          1HG       PRO   5  -4.768  14.896  12.355
   36   2HG   PRO   5          2HG       PRO   5  -3.611  15.633  13.504
   37   1HD   PRO   5          1HD       PRO   5  -4.904  13.113  13.727
   38   2HD   PRO   5          2HD       PRO   5  -3.936  13.932  14.985
   39    H    GLU   6           H        GLU   6  -7.714  13.155  14.045
   40    HA   GLU   6           HA       GLU   6  -9.402  12.231  12.975
   41   1HB   GLU   6          1HB       GLU   6 -10.616  13.670  14.674
   42   2HB   GLU   6          2HB       GLU   6 -11.047  14.742  13.346
   43   1HG   GLU   6          1HG       GLU   6 -12.568  13.282  12.472
   44   2HG   GLU   6          2HG       GLU   6 -11.559  11.871  12.756
   45    H    TYR   7           H        TYR   7  -8.464  11.915  11.031
   46    HA   TYR   7           HA       TYR   7  -9.351  13.696   8.814
   47   1HB   TYR   7          1HB       TYR   7  -6.998  14.224   9.932
   48   2HB   TYR   7          2HB       TYR   7  -6.438  12.955   8.878
   49    HD1  TYR   7           HD1      TYR   7  -7.516  13.238   6.308
   50    HD2  TYR   7           HD2      TYR   7  -6.864  16.383   9.190
   51    HE1  TYR   7           HE1      TYR   7  -7.443  14.925   4.468
   52    HE2  TYR   7           HE2      TYR   7  -6.747  18.049   7.354
   53    HH   TYR   7           HH       TYR   7  -6.909  18.395   5.098
   54    HA   PRO   8           HA       PRO   8  -9.586   9.234   7.668
   55   1HB   PRO   8          1HB       PRO   8 -12.178   9.247   6.701
   56   2HB   PRO   8          2HB       PRO   8 -11.723   8.898   8.391
   57   1HG   PRO   8          1HG       PRO   8 -12.940  11.378   7.256
   58   2HG   PRO   8          2HG       PRO   8 -13.049  10.710   8.911
   59   1HD   PRO   8          1HD       PRO   8 -11.365  12.821   8.004
   60   2HD   PRO   8          2HD       PRO   8 -11.293  12.011   9.595
   61    H    GLY   9           H        GLY   9  -9.161   8.455   5.634
   62   1HA   GLY   9          1HA       GLY   9  -9.841   9.236   3.115
   63   2HA   GLY   9          2HA       GLY   9  -8.563  10.383   3.581
   64    H    ASP  10           H        ASP  10  -7.518   9.213   1.711
   65    HA   ASP  10           HA       ASP  10  -5.543   7.400   2.711
   66   1HB   ASP  10          1HB       ASP  10  -7.611   5.865   2.256
   67   2HB   ASP  10          2HB       ASP  10  -7.290   6.136   0.557
   68    H    ASN  11           H        ASN  11  -4.310   9.213   1.907
   69    HA   ASN  11           HA       ASN  11  -3.318   8.857  -0.737
   70   1HB   ASN  11          1HB       ASN  11  -5.629  10.248  -0.977
   71   2HB   ASN  11          2HB       ASN  11  -4.584  11.598  -0.589
   72   1HD2  ASN  11          1HD2      ASN  11  -3.359  12.455  -2.328
   73   2HD2  ASN  11          2HD2      ASN  11  -3.242  11.559  -3.858
   74    H    ALA  12           H        ALA  12  -1.223   8.953   0.021
   75    HA   ALA  12           HA       ALA  12  -0.099  11.496   0.619
   76   1HB   ALA  12          1HB       ALA  12   0.788  10.319   2.987
   77   2HB   ALA  12          2HB       ALA  12  -0.511  11.509   2.849
   78   3HB   ALA  12          3HB       ALA  12  -0.894   9.783   2.927
   79    H    THR  13           H        THR  13   2.241  10.892   1.614
   80    HA   THR  13           HA       THR  13   3.887   9.867  -0.334
   81    HB   THR  13           HB       THR  13   5.498   9.610   1.599
   82    HG1  THR  13           HG1      THR  13   3.825   8.994   3.125
   83   1HG2  THR  13          1HG2      THR  13   4.982  11.872   0.505
   84   2HG2  THR  13          2HG2      THR  13   3.916  12.186   1.895
   85   3HG2  THR  13          3HG2      THR  13   5.645  11.912   2.152
   86    HA   PRO  14           HA       PRO  14   3.430   5.506  -0.273
   87   1HB   PRO  14          1HB       PRO  14   5.957   4.601  -0.964
   88   2HB   PRO  14          2HB       PRO  14   4.756   5.292  -2.086
   89   1HG   PRO  14          1HG       PRO  14   7.212   6.562  -0.958
   90   2HG   PRO  14          2HG       PRO  14   6.371   6.884  -2.504
   91   1HD   PRO  14          1HD       PRO  14   6.210   8.403  -0.122
   92   2HD   PRO  14          2HD       PRO  14   5.144   8.561  -1.548
   93    H    GLU  15           H        GLU  15   5.329   7.020   2.051
   94    HA   GLU  15           HA       GLU  15   6.481   4.973   3.582
   95   1HB   GLU  15          1HB       GLU  15   5.189   7.384   4.860
   96   2HB   GLU  15          2HB       GLU  15   6.673   6.548   5.289
   97   1HG   GLU  15          1HG       GLU  15   7.195   7.593   2.698
   98   2HG   GLU  15          2HG       GLU  15   6.215   8.812   3.488
   99    H    GLN  16           H        GLN  16   3.174   5.724   3.111
  100    HA   GLN  16           HA       GLN  16   2.386   3.688   5.158
  101   1HB   GLN  16          1HB       GLN  16   1.784   6.211   5.554
  102   2HB   GLN  16          2HB       GLN  16   0.541   5.949   4.337
  103   1HG   GLN  16          1HG       GLN  16  -0.785   4.776   5.763
  104   2HG   GLN  16          2HG       GLN  16   0.545   3.772   6.315
  105   1HE2  GLN  16          1HE2      GLN  16  -0.663   3.932   8.419
  106   2HE2  GLN  16          2HE2      GLN  16  -0.161   5.283   9.431
  107    H    MET  17           H        MET  17   1.603   5.158   1.989
  108    HA   MET  17           HA       MET  17  -0.385   3.356   1.180
  109   1HB   MET  17          1HB       MET  17   1.126   5.463   0.006
  110   2HB   MET  17          2HB       MET  17   1.368   4.069  -1.051
  111   1HG   MET  17          1HG       MET  17  -1.368   4.927  -0.054
  112   2HG   MET  17          2HG       MET  17  -0.650   5.597  -1.513
  113   1HE   MET  17          1HE       MET  17  -3.221   2.147  -1.072
  114   2HE   MET  17          2HE       MET  17  -3.156   3.780  -0.386
  115   3HE   MET  17          3HE       MET  17  -3.666   3.541  -2.071
  116    H    ALA  18           H        ALA  18   3.135   2.777   1.348
  117    HA   ALA  18           HA       ALA  18   3.286   0.355  -0.094
  118   1HB   ALA  18          1HB       ALA  18   4.763   1.599   2.230
  119   2HB   ALA  18          2HB       ALA  18   5.093  -0.084   1.818
  120   3HB   ALA  18          3HB       ALA  18   5.338   1.184   0.599
  121    H    GLN  19           H        GLN  19   1.785   0.928   3.064
  122    HA   GLN  19           HA       GLN  19   1.636  -1.936   3.731
  123   1HB   GLN  19          1HB       GLN  19   1.470   0.566   5.139
  124   2HB   GLN  19          2HB       GLN  19  -0.102  -0.184   5.313
  125   1HG   GLN  19          1HG       GLN  19   2.344  -1.904   5.782
  126   2HG   GLN  19          2HG       GLN  19   1.974  -0.643   6.952
  127   1HE2  GLN  19          1HE2      GLN  19   1.294  -1.969   8.700
  128   2HE2  GLN  19          2HE2      GLN  19  -0.183  -2.932   8.534
  129    H    TYR  20           H        TYR  20  -0.622   0.687   2.808
  130    HA   TYR  20           HA       TYR  20  -2.953  -0.956   2.590
  131   1HB   TYR  20          1HB       TYR  20  -2.129   1.752   1.593
  132   2HB   TYR  20          2HB       TYR  20  -3.460   0.951   0.774
  133    HD1  TYR  20           HD1      TYR  20  -5.525   1.708   1.419
  134    HD2  TYR  20           HD2      TYR  20  -2.435   1.277   4.410
  135    HE1  TYR  20           HE1      TYR  20  -7.113   2.441   3.165
  136    HE2  TYR  20           HE2      TYR  20  -4.041   2.042   6.157
  137    HH   TYR  20           HH       TYR  20  -6.432   3.743   5.698
  138    H    ALA  21           H        ALA  21  -0.698   0.108  -0.026
  139    HA   ALA  21           HA       ALA  21  -1.795  -1.165  -2.213
  140   1HB   ALA  21          1HB       ALA  21   0.667  -1.341  -2.969
  141   2HB   ALA  21          2HB       ALA  21   0.075   0.273  -2.521
  142   3HB   ALA  21          3HB       ALA  21   1.088  -0.661  -1.392
  143    H    ALA  22           H        ALA  22   0.228  -2.695   0.306
  144    HA   ALA  22           HA       ALA  22   0.512  -5.254  -0.902
  145   1HB   ALA  22          1HB       ALA  22   0.960  -6.047   1.381
  146   2HB   ALA  22          2HB       ALA  22   1.833  -4.529   1.054
  147   3HB   ALA  22          3HB       ALA  22   0.369  -4.530   2.057
  148    H    GLU  23           H        GLU  23  -1.790  -4.445   1.787
  149    HA   GLU  23           HA       GLU  23  -3.402  -6.732   1.454
  150   1HB   GLU  23          1HB       GLU  23  -3.438  -4.496   3.165
  151   2HB   GLU  23          2HB       GLU  23  -4.962  -4.397   2.295
  152   1HG   GLU  23          1HG       GLU  23  -4.841  -7.114   2.972
  153   2HG   GLU  23          2HG       GLU  23  -4.045  -6.347   4.335
  154    H    LEU  24           H        LEU  24  -3.650  -3.578  -0.172
  155    HA   LEU  24           HA       LEU  24  -6.059  -3.963  -1.556
  156   1HB   LEU  24          1HB       LEU  24  -4.253  -1.923  -1.370
  157   2HB   LEU  24          2HB       LEU  24  -3.846  -2.497  -2.968
  158   1HD1  LEU  24          1HD1      LEU  24  -7.011  -3.246  -3.623
  159   2HD1  LEU  24          2HD1      LEU  24  -7.262  -1.658  -4.357
  160   3HD1  LEU  24          3HD1      LEU  24  -5.776  -2.568  -4.709
  161   1HD2  LEU  24          1HD2      LEU  24  -6.924  -0.268  -1.526
  162   2HD2  LEU  24          2HD2      LEU  24  -7.807  -1.766  -1.857
  163   3HD2  LEU  24          3HD2      LEU  24  -6.489  -1.751  -0.677
  164   1HG   LEU  24          1HG       LEU  24  -5.415  -0.710  -3.109
  165    H    ARG  25           H        ARG  25  -2.728  -4.706  -2.749
  166    HA   ARG  25           HA       ARG  25  -3.445  -5.922  -5.218
  167   1HB   ARG  25          1HB       ARG  25  -1.170  -5.499  -4.844
  168   2HB   ARG  25          2HB       ARG  25  -1.135  -6.283  -3.282
  169   1HG   ARG  25          1HG       ARG  25  -1.734  -7.945  -5.742
  170   2HG   ARG  25          2HG       ARG  25  -0.086  -7.437  -5.420
  171   1HD   ARG  25          1HD       ARG  25   0.225  -9.030  -3.880
  172   2HD   ARG  25          2HD       ARG  25  -1.140  -8.460  -2.944
  173    HE   ARG  25           HNE      ARG  25  -2.400 -10.213  -3.707
  174   1HH1  ARG  25          2HH2      ARG  25   0.204  -9.849  -5.999
  175   2HH1  ARG  25          1HH2      ARG  25  -0.201 -11.293  -6.878
  176   1HH2  ARG  25          2HH1      ARG  25  -2.896 -12.096  -4.844
  177   2HH2  ARG  25          1HH1      ARG  25  -1.909 -12.572  -6.184
  178    H    ARG  26           H        ARG  26  -3.562  -7.236  -1.954
  179    HA   ARG  26           HA       ARG  26  -4.316  -9.942  -2.817
  180   1HB   ARG  26          1HB       ARG  26  -4.989  -8.966  -0.040
  181   2HB   ARG  26          2HB       ARG  26  -4.468 -10.557  -0.606
  182   1HG   ARG  26          1HG       ARG  26  -2.214  -9.388  -1.176
  183   2HG   ARG  26          2HG       ARG  26  -2.846  -8.072  -0.175
  184   1HD   ARG  26          1HD       ARG  26  -2.668  -9.197   1.783
  185   2HD   ARG  26          2HD       ARG  26  -2.783 -10.796   1.007
  186    HE   ARG  26           HNE      ARG  26  -0.437  -9.517   0.051
  187   1HH1  ARG  26          2HH2      ARG  26  -1.582 -10.777   3.087
  188   2HH1  ARG  26          1HH2      ARG  26   0.001 -11.203   3.667
  189   1HH2  ARG  26          2HH1      ARG  26   1.606 -10.221   0.720
  190   2HH2  ARG  26          1HH1      ARG  26   1.777 -10.939   2.293
  191    H    TYR  27           H        TYR  27  -6.065  -7.169  -1.477
  192    HA   TYR  27           HA       TYR  27  -8.668  -8.046  -1.456
  193   1HB   TYR  27          1HB       TYR  27  -7.596  -5.764  -0.792
  194   2HB   TYR  27          2HB       TYR  27  -7.970  -5.271  -2.436
  195    HD1  TYR  27           HD1      TYR  27  -9.389  -6.513   0.761
  196    HD2  TYR  27           HD2      TYR  27 -10.233  -4.671  -3.049
  197    HE1  TYR  27           HE1      TYR  27 -11.713  -6.006   1.518
  198    HE2  TYR  27           HE2      TYR  27 -12.547  -4.159  -2.289
  199    HH   TYR  27           HH       TYR  27 -14.148  -4.648  -0.664
  200    H    ILE  28           H        ILE  28  -6.965  -6.632  -4.267
  201    HA   ILE  28           HA       ILE  28  -9.033  -6.839  -6.205
  202    HB   ILE  28           HB       ILE  28  -6.003  -6.956  -6.379
  203   1HG1  ILE  28          1HG1      ILE  28  -8.033  -4.831  -7.224
  204   2HG1  ILE  28          2HG1      ILE  28  -7.191  -4.840  -5.678
  205   1HG2  ILE  28          1HG2      ILE  28  -6.258  -6.626  -8.869
  206   2HG2  ILE  28          2HG2      ILE  28  -6.740  -8.221  -8.325
  207   3HG2  ILE  28          3HG2      ILE  28  -7.976  -7.015  -8.680
  208   1HD1  ILE  28          1HD1      ILE  28  -5.924  -4.476  -8.410
  209   2HD1  ILE  28          2HD1      ILE  28  -6.019  -3.316  -7.081
  210   3HD1  ILE  28          3HD1      ILE  28  -4.995  -4.757  -6.915
  211    H    ASN  29           H        ASN  29  -6.446  -9.275  -5.589
  212    HA   ASN  29           HA       ASN  29  -7.583 -11.283  -7.285
  213   1HB   ASN  29          1HB       ASN  29  -5.222 -11.188  -6.444
  214   2HB   ASN  29          2HB       ASN  29  -5.804 -11.631  -4.833
  215   1HD2  ASN  29          1HD2      ASN  29  -5.272 -13.810  -4.472
  216   2HD2  ASN  29          2HD2      ASN  29  -5.479 -15.019  -5.736
  217    H    MET  30           H        MET  30  -8.139 -10.489  -3.898
  218    HA   MET  30           HA       MET  30  -9.930 -12.674  -3.249
  219   1HB   MET  30          1HB       MET  30  -8.873 -10.187  -1.967
  220   2HB   MET  30          2HB       MET  30 -10.444 -10.678  -1.413
  221   1HG   MET  30          1HG       MET  30  -8.185 -12.685  -1.633
  222   2HG   MET  30          2HG       MET  30  -8.321 -11.629  -0.227
  223   1HE   MET  30          1HE       MET  30  -9.988 -11.970   1.766
  224   2HE   MET  30          2HE       MET  30 -11.046 -11.192   0.574
  225   3HE   MET  30          3HE       MET  30 -11.627 -12.604   1.469
  226    H    LEU  31           H        LEU  31 -10.437  -9.864  -5.121
  227    HA   LEU  31           HA       LEU  31 -13.388 -10.037  -4.747
  228   1HB   LEU  31          1HB       LEU  31 -11.956  -7.896  -4.432
  229   2HB   LEU  31          2HB       LEU  31 -11.842  -7.851  -6.176
  230   1HD1  LEU  31          1HD1      LEU  31 -14.708  -5.745  -4.361
  231   2HD1  LEU  31          2HD1      LEU  31 -14.329  -7.115  -3.304
  232   3HD1  LEU  31          3HD1      LEU  31 -13.027  -6.072  -3.909
  233   1HD2  LEU  31          1HD2      LEU  31 -13.169  -6.061  -6.878
  234   2HD2  LEU  31          2HD2      LEU  31 -14.194  -7.388  -7.474
  235   3HD2  LEU  31          3HD2      LEU  31 -14.930  -6.056  -6.588
  236   1HG   LEU  31          1HG       LEU  31 -14.641  -8.207  -5.304
  237    H    THR  32           H        THR  32 -10.997 -11.284  -6.661
  238    HA   THR  32           HA       THR  32 -10.828 -12.186  -8.749
  239    HB   THR  32           HB       THR  32 -13.859 -12.440  -8.606
  240    HG1  THR  32           HG1      THR  32 -11.748 -13.834  -7.367
  241   1HG2  THR  32          1HG2      THR  32 -13.046 -13.344 -10.728
  242   2HG2  THR  32          2HG2      THR  32 -11.707 -14.181  -9.902
  243   3HG2  THR  32          3HG2      THR  32 -13.391 -14.685  -9.640
  244    H    ARG  33           H        ARG  33 -11.190  -9.250  -8.489
  245    HA   ARG  33           HA       ARG  33 -11.577  -8.683 -11.308
  246   1HB   ARG  33          1HB       ARG  33 -13.754  -8.285  -9.477
  247   2HB   ARG  33          2HB       ARG  33 -13.090  -6.691  -9.776
  248   1HG   ARG  33          1HG       ARG  33 -13.211  -7.846 -12.346
  249   2HG   ARG  33          2HG       ARG  33 -14.599  -8.543 -11.547
  250   1HD   ARG  33          1HD       ARG  33 -15.765  -6.626 -11.704
  251   2HD   ARG  33          2HD       ARG  33 -14.454  -5.661 -11.007
  252    HE   ARG  33           HNE      ARG  33 -13.666  -6.282 -13.633
  253   1HH1  ARG  33          2HH2      ARG  33 -16.192  -4.421 -12.161
  254   2HH1  ARG  33          1HH2      ARG  33 -16.271  -3.242 -13.447
  255   1HH2  ARG  33          2HH1      ARG  33 -13.791  -4.873 -15.318
  256   2HH2  ARG  33          1HH1      ARG  33 -14.894  -3.529 -15.252
  257    HA   PRO  34           HA       PRO  34  -8.469  -5.637 -10.218
  258   1HB   PRO  34          1HB       PRO  34  -8.458  -4.116 -12.502
  259   2HB   PRO  34          2HB       PRO  34  -7.772  -5.760 -12.397
  260   1HG   PRO  34          1HG       PRO  34 -10.349  -4.871 -13.640
  261   2HG   PRO  34          2HG       PRO  34  -9.272  -6.229 -14.092
  262   1HD   PRO  34          1HD       PRO  34 -11.643  -6.324 -12.528
  263   2HD   PRO  34          2HD       PRO  34 -10.478  -7.661 -12.790
  264    H    ARG  35           H        ARG  35  -8.241  -3.167 -10.434
  265    HA   ARG  35           HA       ARG  35 -10.609  -1.505 -10.100
  266   1HB   ARG  35          1HB       ARG  35  -9.302  -2.800  -7.775
  267   2HB   ARG  35          2HB       ARG  35  -9.338  -1.074  -7.602
  268   1HG   ARG  35          1HG       ARG  35 -11.939  -2.327  -8.452
  269   2HG   ARG  35          2HG       ARG  35 -11.333  -2.740  -6.858
  270   1HD   ARG  35          1HD       ARG  35 -12.440  -0.897  -6.209
  271   2HD   ARG  35          2HD       ARG  35 -10.962  -0.072  -6.696
  272    HE   ARG  35           HNE      ARG  35 -12.857  -0.325  -8.882
  273   1HH1  ARG  35          2HH2      ARG  35 -12.061   1.665  -6.121
  274   2HH1  ARG  35          1HH2      ARG  35 -13.041   3.012  -6.640
  275   1HH2  ARG  35          2HH1      ARG  35 -14.133   1.472  -9.542
  276   2HH2  ARG  35          1HH1      ARG  35 -14.146   2.890  -8.552
  277    H    TYR  36           H        TYR  36  -9.565  -0.377 -11.795
  278    HA   TYR  36           HA       TYR  36  -8.255   1.237 -12.701
  279   1HB   TYR  36          1HB       TYR  36  -9.026   2.069  -9.985
  280   2HB   TYR  36          2HB       TYR  36  -7.626   2.926 -10.567
  281    HD1  TYR  36           HD1      TYR  36 -11.191   2.866 -10.654
  282    HD2  TYR  36           HD2      TYR  36  -7.695   3.907 -12.952
  283    HE1  TYR  36           HE1      TYR  36 -12.534   4.524 -11.940
  284    HE2  TYR  36           HE2      TYR  36  -9.056   5.557 -14.257
  285    HH   TYR  36           HH       TYR  36 -12.356   6.409 -13.393
  286   1HN   NH2  37          1HN       NH2  37  -6.486  -0.280 -13.295
  287   2HN   NH2  37          2HN       NH2  37  -4.957  -0.021 -12.434
  Start of MODEL   14
    1   1H    ALA   1          1H        ALA   1 -16.213  -2.843  10.215
    2   2H    ALA   1          2H        ALA   1 -15.794  -1.384   9.564
    3   3H    ALA   1          3H        ALA   1 -17.354  -1.681   9.996
    4    HA   ALA   1           HA       ALA   1 -16.880  -3.690   8.295
    5   1HB   ALA   1          1HB       ALA   1 -18.043  -0.977   7.540
    6   2HB   ALA   1          2HB       ALA   1 -18.372  -2.547   6.779
    7   3HB   ALA   1          3HB       ALA   1 -18.911  -2.239   8.440
    8    HA   PRO   2           HA       PRO   2 -13.142  -1.912   6.340
    9   1HB   PRO   2          1HB       PRO   2 -11.847  -4.265   5.748
   10   2HB   PRO   2          2HB       PRO   2 -11.814  -3.470   7.337
   11   1HG   PRO   2          1HG       PRO   2 -13.391  -5.879   6.487
   12   2HG   PRO   2          2HG       PRO   2 -12.687  -5.482   8.083
   13   1HD   PRO   2          1HD       PRO   2 -15.387  -5.137   7.297
   14   2HD   PRO   2          2HD       PRO   2 -14.612  -4.428   8.743
   15    H    LEU   3           H        LEU   3 -14.988  -1.258   4.828
   16    HA   LEU   3           HA       LEU   3 -14.414  -2.365   2.194
   17   1HB   LEU   3          1HB       LEU   3 -16.591  -3.436   3.727
   18   2HB   LEU   3          2HB       LEU   3 -17.348  -2.501   2.474
   19   1HD1  LEU   3          1HD1      LEU   3 -16.567  -6.264   1.536
   20   2HD1  LEU   3          2HD1      LEU   3 -15.672  -5.828   2.997
   21   3HD1  LEU   3          3HD1      LEU   3 -17.415  -5.472   2.889
   22   1HD2  LEU   3          1HD2      LEU   3 -17.040  -2.894   0.218
   23   2HD2  LEU   3          2HD2      LEU   3 -16.170  -4.301  -0.408
   24   3HD2  LEU   3          3HD2      LEU   3 -17.761  -4.512   0.345
   25   1HG   LEU   3          1HG       LEU   3 -15.073  -4.167   1.544
   26    H    GLU   4           H        GLU   4 -13.748   0.112   2.978
   27    HA   GLU   4           HA       GLU   4 -15.232   1.732   1.081
   28   1HB   GLU   4          1HB       GLU   4 -15.712   3.546   2.714
   29   2HB   GLU   4          2HB       GLU   4 -16.619   2.085   2.983
   30   1HG   GLU   4          1HG       GLU   4 -14.298   1.828   4.640
   31   2HG   GLU   4          2HG       GLU   4 -14.780   3.512   4.753
   32    HA   PRO   5           HA       PRO   5 -11.175   3.607   0.832
   33   1HB   PRO   5          1HB       PRO   5 -11.725   6.013  -0.396
   34   2HB   PRO   5          2HB       PRO   5 -11.719   4.434  -1.230
   35   1HG   PRO   5          1HG       PRO   5 -14.062   6.079  -0.330
   36   2HG   PRO   5          2HG       PRO   5 -13.919   4.977  -1.732
   37   1HD   PRO   5          1HD       PRO   5 -15.135   4.395   0.744
   38   2HD   PRO   5          2HD       PRO   5 -14.654   3.197  -0.493
   39    H    GLU   6           H        GLU   6  -9.951   4.571   2.288
   40    HA   GLU   6           HA       GLU   6 -11.117   6.447   4.256
   41   1HB   GLU   6          1HB       GLU   6  -9.307   4.199   4.439
   42   2HB   GLU   6          2HB       GLU   6  -8.425   5.612   4.954
   43   1HG   GLU   6          1HG       GLU   6  -9.405   4.818   6.904
   44   2HG   GLU   6          2HG       GLU   6 -10.349   6.239   6.456
   45    H    TYR   7           H        TYR   7 -11.146   8.139   2.690
   46    HA   TYR   7           HA       TYR   7 -10.370  10.029   1.631
   47   1HB   TYR   7          1HB       TYR   7 -10.305  10.497   4.081
   48   2HB   TYR   7          2HB       TYR   7  -8.590  10.133   4.077
   49    HD1  TYR   7           HD1      TYR   7 -10.997  12.236   2.044
   50    HD2  TYR   7           HD2      TYR   7  -7.214  12.032   4.106
   51    HE1  TYR   7           HE1      TYR   7 -10.576  14.635   1.514
   52    HE2  TYR   7           HE2      TYR   7  -6.827  14.453   3.610
   53    HH   TYR   7           HH       TYR   7  -8.061  16.119   1.373
   54    HA   PRO   8           HA       PRO   8  -6.601   8.204  -0.306
   55   1HB   PRO   8          1HB       PRO   8  -7.291   8.505  -2.936
   56   2HB   PRO   8          2HB       PRO   8  -7.837   7.148  -1.917
   57   1HG   PRO   8          1HG       PRO   8  -9.360   9.607  -2.736
   58   2HG   PRO   8          2HG       PRO   8  -9.951   7.932  -2.513
   59   1HD   PRO   8          1HD       PRO   8 -10.169  10.039  -0.656
   60   2HD   PRO   8          2HD       PRO   8 -10.349   8.302  -0.263
   61    H    GLY   9           H        GLY   9  -5.822  10.041   0.813
   62   1HA   GLY   9          1HA       GLY   9  -5.357  12.610  -0.422
   63   2HA   GLY   9          2HA       GLY   9  -4.505  11.905   0.966
   64    H    ASP  10           H        ASP  10  -2.637  12.987  -0.099
   65    HA   ASP  10           HA       ASP  10  -1.163  11.119  -1.715
   66   1HB   ASP  10          1HB       ASP  10  -2.668  13.017  -3.144
   67   2HB   ASP  10          2HB       ASP  10  -1.114  13.820  -2.971
   68    H    ASN  11           H        ASN  11   1.049  12.240  -2.183
   69    HA   ASN  11           HA       ASN  11   3.023  12.979  -1.211
   70   1HB   ASN  11          1HB       ASN  11   1.107  15.200  -1.269
   71   2HB   ASN  11          2HB       ASN  11   2.291  15.433  -0.007
   72   1HD2  ASN  11          1HD2      ASN  11   3.821  16.813  -0.709
   73   2HD2  ASN  11          2HD2      ASN  11   4.518  16.708  -2.331
   74    H    ALA  12           H        ALA  12   2.980  11.140   0.283
   75    HA   ALA  12           HA       ALA  12   3.513  12.114   2.971
   76   1HB   ALA  12          1HB       ALA  12   1.302  10.108   2.371
   77   2HB   ALA  12          2HB       ALA  12   2.110  10.191   3.955
   78   3HB   ALA  12          3HB       ALA  12   1.218  11.595   3.336
   79    H    THR  13           H        THR  13   4.813  10.584   4.172
   80    HA   THR  13           HA       THR  13   6.781   9.244   2.634
   81    HB   THR  13           HB       THR  13   7.460   8.327   4.896
   82    HG1  THR  13           HG1      THR  13   6.264   8.855   6.626
   83   1HG2  THR  13          1HG2      THR  13   8.206  10.613   4.098
   84   2HG2  THR  13          2HG2      THR  13   6.837  11.312   4.991
   85   3HG2  THR  13          3HG2      THR  13   8.116  10.442   5.860
   86    HA   PRO  14           HA       PRO  14   4.865   5.303   2.034
   87   1HB   PRO  14          1HB       PRO  14   7.002   3.597   1.751
   88   2HB   PRO  14          2HB       PRO  14   6.541   4.848   0.574
   89   1HG   PRO  14          1HG       PRO  14   8.747   4.921   2.615
   90   2HG   PRO  14          2HG       PRO  14   8.716   5.577   0.950
   91   1HD   PRO  14          1HD       PRO  14   8.283   7.039   3.305
   92   2HD   PRO  14          2HD       PRO  14   7.803   7.561   1.665
   93    H    GLU  15           H        GLU  15   4.466   6.009   4.534
   94    HA   GLU  15           HA       GLU  15   5.032   3.684   6.313
   95   1HB   GLU  15          1HB       GLU  15   4.537   5.100   8.123
   96   2HB   GLU  15          2HB       GLU  15   5.530   6.040   7.030
   97   1HG   GLU  15          1HG       GLU  15   4.018   7.679   7.162
   98   2HG   GLU  15          2HG       GLU  15   2.912   6.705   6.217
   99    H    GLN  16           H        GLN  16   2.528   5.129   4.457
  100    HA   GLN  16           HA       GLN  16   0.527   3.156   5.489
  101   1HB   GLN  16          1HB       GLN  16   0.218   5.768   5.911
  102   2HB   GLN  16          2HB       GLN  16  -0.270   5.783   4.224
  103   1HG   GLN  16          1HG       GLN  16  -2.327   5.410   5.147
  104   2HG   GLN  16          2HG       GLN  16  -1.832   3.723   5.055
  105   1HE2  GLN  16          1HE2      GLN  16  -0.191   3.297   7.297
  106   2HE2  GLN  16          2HE2      GLN  16  -1.030   3.909   8.705
  107    H    MET  17           H        MET  17   1.474   5.040   2.568
  108    HA   MET  17           HA       MET  17  -0.099   3.580   0.751
  109   1HB   MET  17          1HB       MET  17   1.951   5.613   0.626
  110   2HB   MET  17          2HB       MET  17   2.334   4.389  -0.576
  111   1HG   MET  17          1HG       MET  17  -0.405   5.697  -0.312
  112   2HG   MET  17          2HG       MET  17   0.888   6.306  -1.327
  113   1HE   MET  17          1HE       MET  17  -1.963   2.865  -2.318
  114   2HE   MET  17          2HE       MET  17  -0.928   2.563  -0.920
  115   3HE   MET  17          3HE       MET  17  -2.025   3.967  -0.924
  116    H    ALA  18           H        ALA  18   3.108   2.849   2.047
  117    HA   ALA  18           HA       ALA  18   3.558   0.475   0.436
  118   1HB   ALA  18          1HB       ALA  18   5.496   0.198   1.940
  119   2HB   ALA  18          2HB       ALA  18   5.396   1.851   1.307
  120   3HB   ALA  18          3HB       ALA  18   4.880   1.499   2.978
  121    H    GLN  19           H        GLN  19   1.263   0.969   2.751
  122    HA   GLN  19           HA       GLN  19   1.370  -1.816   3.809
  123   1HB   GLN  19          1HB       GLN  19   0.949   0.712   5.137
  124   2HB   GLN  19          2HB       GLN  19  -0.603  -0.105   5.096
  125   1HG   GLN  19          1HG       GLN  19   0.281  -0.895   7.059
  126   2HG   GLN  19          2HG       GLN  19   0.703  -2.203   5.952
  127   1HE2  GLN  19          1HE2      GLN  19   1.993  -1.242   8.569
  128   2HE2  GLN  19          2HE2      GLN  19   3.667  -0.991   8.033
  129    H    TYR  20           H        TYR  20  -0.908   0.736   2.690
  130    HA   TYR  20           HA       TYR  20  -3.094  -1.041   2.299
  131   1HB   TYR  20          1HB       TYR  20  -2.870   1.642   2.268
  132   2HB   TYR  20          2HB       TYR  20  -2.852   1.377   0.534
  133    HD1  TYR  20           HD1      TYR  20  -4.961   1.061  -0.615
  134    HD2  TYR  20           HD2      TYR  20  -4.743   0.561   3.666
  135    HE1  TYR  20           HE1      TYR  20  -7.456   1.002  -0.477
  136    HE2  TYR  20           HE2      TYR  20  -7.223   0.491   3.789
  137    HH   TYR  20           HH       TYR  20  -9.216   0.796   2.601
  138    H    ALA  21           H        ALA  21  -0.638   0.131  -0.107
  139    HA   ALA  21           HA       ALA  21  -1.646  -1.069  -2.399
  140   1HB   ALA  21          1HB       ALA  21   1.244  -0.710  -1.505
  141   2HB   ALA  21          2HB       ALA  21   0.730  -1.054  -3.171
  142   3HB   ALA  21          3HB       ALA  21   0.247   0.466  -2.391
  143    H    ALA  22           H        ALA  22   0.175  -2.660   0.197
  144    HA   ALA  22           HA       ALA  22   0.523  -5.214  -1.104
  145   1HB   ALA  22          1HB       ALA  22   1.984  -4.779   0.697
  146   2HB   ALA  22          2HB       ALA  22   0.673  -4.266   1.776
  147   3HB   ALA  22          3HB       ALA  22   0.832  -5.972   1.332
  148    H    GLU  23           H        GLU  23  -1.666  -4.482   1.695
  149    HA   GLU  23           HA       GLU  23  -3.269  -6.773   1.445
  150   1HB   GLU  23          1HB       GLU  23  -3.203  -5.133   3.370
  151   2HB   GLU  23          2HB       GLU  23  -4.269  -4.095   2.418
  152   1HG   GLU  23          1HG       GLU  23  -5.727  -6.376   2.312
  153   2HG   GLU  23          2HG       GLU  23  -4.823  -6.749   3.765
  154    H    LEU  24           H        LEU  24  -3.736  -3.589  -0.109
  155    HA   LEU  24           HA       LEU  24  -6.111  -3.973  -1.534
  156   1HB   LEU  24          1HB       LEU  24  -4.911  -1.826  -1.335
  157   2HB   LEU  24          2HB       LEU  24  -3.583  -2.477  -2.275
  158   1HD1  LEU  24          1HD1      LEU  24  -6.915  -1.259  -2.170
  159   2HD1  LEU  24          2HD1      LEU  24  -6.294  -0.075  -3.334
  160   3HD1  LEU  24          3HD1      LEU  24  -7.351  -1.391  -3.877
  161   1HD2  LEU  24          1HD2      LEU  24  -4.742  -1.135  -5.328
  162   2HD2  LEU  24          2HD2      LEU  24  -4.024  -0.353  -3.897
  163   3HD2  LEU  24          3HD2      LEU  24  -3.420  -1.926  -4.458
  164   1HG   LEU  24          1HG       LEU  24  -5.688  -2.882  -4.023
  165    H    ARG  25           H        ARG  25  -2.747  -4.597  -2.831
  166    HA   ARG  25           HA       ARG  25  -3.549  -5.751  -5.282
  167   1HB   ARG  25          1HB       ARG  25  -1.281  -5.214  -5.011
  168   2HB   ARG  25          2HB       ARG  25  -1.109  -6.119  -3.517
  169   1HG   ARG  25          1HG       ARG  25  -1.803  -7.643  -6.033
  170   2HG   ARG  25          2HG       ARG  25  -0.159  -7.049  -5.834
  171   1HD   ARG  25          1HD       ARG  25   0.272  -8.301  -3.927
  172   2HD   ARG  25          2HD       ARG  25  -1.425  -8.554  -3.539
  173    HE   ARG  25           HNE      ARG  25  -1.328  -9.872  -5.854
  174   1HH1  ARG  25          2HH2      ARG  25   0.788 -10.050  -3.094
  175   2HH1  ARG  25          1HH2      ARG  25   1.241 -11.714  -3.395
  176   1HH2  ARG  25          2HH1      ARG  25  -0.677 -11.998  -6.253
  177   2HH2  ARG  25          1HH1      ARG  25   0.388 -12.799  -5.150
  178    H    ARG  26           H        ARG  26  -3.485  -7.239  -2.099
  179    HA   ARG  26           HA       ARG  26  -4.098  -9.940  -3.098
  180   1HB   ARG  26          1HB       ARG  26  -4.747  -9.230  -0.259
  181   2HB   ARG  26          2HB       ARG  26  -3.996 -10.675  -0.940
  182   1HG   ARG  26          1HG       ARG  26  -1.942  -9.036  -1.372
  183   2HG   ARG  26          2HG       ARG  26  -2.819  -8.025  -0.217
  184   1HD   ARG  26          1HD       ARG  26  -1.306  -9.131   1.127
  185   2HD   ARG  26          2HD       ARG  26  -2.809 -10.019   1.365
  186    HE   ARG  26           HNE      ARG  26  -1.880 -11.876   0.274
  187   1HH1  ARG  26          2HH2      ARG  26   0.275  -9.173  -0.150
  188   2HH1  ARG  26          1HH2      ARG  26   1.609 -10.108  -0.725
  189   1HH2  ARG  26          2HH1      ARG  26  -0.281 -13.108  -0.574
  190   2HH2  ARG  26          1HH1      ARG  26   1.290 -12.414  -0.870
  191    H    TYR  27           H        TYR  27  -5.905  -7.333  -1.527
  192    HA   TYR  27           HA       TYR  27  -8.477  -8.310  -1.411
  193   1HB   TYR  27          1HB       TYR  27  -7.449  -5.977  -0.764
  194   2HB   TYR  27          2HB       TYR  27  -7.947  -5.490  -2.379
  195    HD1  TYR  27           HD1      TYR  27 -10.240  -4.973  -2.859
  196    HD2  TYR  27           HD2      TYR  27  -9.123  -6.870   0.860
  197    HE1  TYR  27           HE1      TYR  27 -12.544  -4.632  -1.992
  198    HE2  TYR  27           HE2      TYR  27 -11.447  -6.559   1.709
  199    HH   TYR  27           HH       TYR  27 -13.924  -4.880  -0.196
  200    H    ILE  28           H        ILE  28  -6.919  -6.788  -4.242
  201    HA   ILE  28           HA       ILE  28  -9.015  -6.934  -6.106
  202    HB   ILE  28           HB       ILE  28  -6.055  -7.382  -6.634
  203   1HG1  ILE  28          1HG1      ILE  28  -5.935  -5.285  -5.701
  204   2HG1  ILE  28          2HG1      ILE  28  -6.263  -4.844  -7.336
  205   1HG2  ILE  28          1HG2      ILE  28  -6.367  -6.739  -8.868
  206   2HG2  ILE  28          2HG2      ILE  28  -7.705  -7.859  -8.577
  207   3HG2  ILE  28          3HG2      ILE  28  -7.987  -6.108  -8.532
  208   1HD1  ILE  28          1HD1      ILE  28  -7.627  -3.467  -5.907
  209   2HD1  ILE  28          2HD1      ILE  28  -8.724  -4.603  -6.732
  210   3HD1  ILE  28          3HD1      ILE  28  -8.271  -4.846  -5.032
  211    H    ASN  29           H        ASN  29  -6.624  -9.511  -5.443
  212    HA   ASN  29           HA       ASN  29  -7.749 -11.446  -7.255
  213   1HB   ASN  29          1HB       ASN  29  -5.424 -11.439  -6.145
  214   2HB   ASN  29          2HB       ASN  29  -6.217 -12.007  -4.675
  215   1HD2  ASN  29          1HD2      ASN  29  -5.454 -12.867  -8.084
  216   2HD2  ASN  29          2HD2      ASN  29  -5.758 -14.579  -7.785
  217    H    MET  30           H        MET  30  -8.197 -10.901  -3.742
  218    HA   MET  30           HA       MET  30 -10.281 -12.854  -3.376
  219   1HB   MET  30          1HB       MET  30  -9.172 -10.534  -1.767
  220   2HB   MET  30          2HB       MET  30 -10.684 -11.291  -1.278
  221   1HG   MET  30          1HG       MET  30  -9.257 -12.573  -0.080
  222   2HG   MET  30          2HG       MET  30  -9.403 -13.547  -1.525
  223   1HE   MET  30          1HE       MET  30  -5.737 -11.677   0.354
  224   2HE   MET  30          2HE       MET  30  -6.898 -10.479  -0.269
  225   3HE   MET  30          3HE       MET  30  -7.417 -11.688   0.920
  226    H    LEU  31           H        LEU  31 -10.474  -9.783  -4.827
  227    HA   LEU  31           HA       LEU  31 -13.412  -9.558  -4.620
  228   1HB   LEU  31          1HB       LEU  31 -12.389  -7.500  -4.291
  229   2HB   LEU  31          2HB       LEU  31 -11.070  -7.860  -5.381
  230   1HD1  LEU  31          1HD1      LEU  31 -14.610  -7.192  -5.319
  231   2HD1  LEU  31          2HD1      LEU  31 -14.484  -5.751  -6.351
  232   3HD1  LEU  31          3HD1      LEU  31 -14.727  -7.342  -7.077
  233   1HD2  LEU  31          1HD2      LEU  31 -12.320  -5.084  -7.227
  234   2HD2  LEU  31          2HD2      LEU  31 -12.225  -5.126  -5.445
  235   3HD2  LEU  31          3HD2      LEU  31 -10.928  -5.818  -6.445
  236   1HG   LEU  31          1HG       LEU  31 -12.484  -7.486  -7.321
  237    H    THR  32           H        THR  32 -11.139 -11.120  -6.638
  238    HA   THR  32           HA       THR  32 -11.190 -12.019  -8.737
  239    HB   THR  32           HB       THR  32 -14.216 -12.001  -8.565
  240    HG1  THR  32           HG1      THR  32 -12.305 -13.433  -7.101
  241   1HG2  THR  32          1HG2      THR  32 -14.149 -14.068  -9.721
  242   2HG2  THR  32          2HG2      THR  32 -13.020 -13.055 -10.625
  243   3HG2  THR  32          3HG2      THR  32 -12.400 -14.263  -9.491
  244    H    ARG  33           H        ARG  33 -11.254  -9.060  -8.480
  245    HA   ARG  33           HA       ARG  33 -11.928  -8.421 -11.260
  246   1HB   ARG  33          1HB       ARG  33 -13.794  -7.860  -9.222
  247   2HB   ARG  33          2HB       ARG  33 -12.933  -6.341  -9.381
  248   1HG   ARG  33          1HG       ARG  33 -13.561  -7.292 -12.048
  249   2HG   ARG  33          2HG       ARG  33 -14.967  -7.534 -11.036
  250   1HD   ARG  33          1HD       ARG  33 -14.791  -5.103 -10.307
  251   2HD   ARG  33          2HD       ARG  33 -13.443  -4.912 -11.426
  252    HE   ARG  33           HNE      ARG  33 -14.944  -4.748 -13.167
  253   1HH1  ARG  33          2HH2      ARG  33 -16.636  -6.259 -10.528
  254   2HH1  ARG  33          1HH2      ARG  33 -18.162  -6.349 -11.368
  255   1HH2  ARG  33          2HH1      ARG  33 -16.941  -4.853 -14.258
  256   2HH2  ARG  33          1HH1      ARG  33 -18.287  -5.621 -13.479
  257    HA   PRO  34           HA       PRO  34  -8.284  -5.908 -10.606
  258   1HB   PRO  34          1HB       PRO  34  -8.359  -4.266 -12.806
  259   2HB   PRO  34          2HB       PRO  34  -7.914  -5.991 -12.837
  260   1HG   PRO  34          1HG       PRO  34 -10.491  -4.700 -13.656
  261   2HG   PRO  34          2HG       PRO  34  -9.676  -6.145 -14.331
  262   1HD   PRO  34          1HD       PRO  34 -11.809  -6.094 -12.493
  263   2HD   PRO  34          2HD       PRO  34 -10.803  -7.521 -12.884
  264    H    ARG  35           H        ARG  35  -7.747  -3.374 -10.905
  265    HA   ARG  35           HA       ARG  35  -9.826  -1.760  -9.526
  266   1HB   ARG  35          1HB       ARG  35  -8.182  -0.869  -7.988
  267   2HB   ARG  35          2HB       ARG  35  -8.241  -2.611  -7.888
  268   1HG   ARG  35          1HG       ARG  35  -5.974  -2.330  -7.824
  269   2HG   ARG  35          2HG       ARG  35  -6.158  -2.508  -9.569
  270   1HD   ARG  35          1HD       ARG  35  -6.088  -0.059  -9.844
  271   2HD   ARG  35          2HD       ARG  35  -6.101   0.150  -8.082
  272    HE   ARG  35           HNE      ARG  35  -3.883  -1.468  -9.062
  273   1HH1  ARG  35          2HH2      ARG  35  -4.880   1.819  -8.381
  274   2HH1  ARG  35          1HH2      ARG  35  -3.244   2.419  -8.309
  275   1HH2  ARG  35          2HH1      ARG  35  -1.783  -0.665  -8.866
  276   2HH2  ARG  35          1HH1      ARG  35  -1.528   1.026  -8.597
  277    H    TYR  36           H        TYR  36  -9.599   0.514  -9.797
  278    HA   TYR  36           HA       TYR  36  -7.959   1.411 -12.115
  279   1HB   TYR  36          1HB       TYR  36 -10.890   1.180 -11.951
  280   2HB   TYR  36          2HB       TYR  36 -10.368   2.809 -12.318
  281    HD1  TYR  36           HD1      TYR  36 -10.132  -0.740 -13.477
  282    HD2  TYR  36           HD2      TYR  36  -9.440   3.409 -14.433
  283    HE1  TYR  36           HE1      TYR  36  -9.692  -1.353 -15.858
  284    HE2  TYR  36           HE2      TYR  36  -9.000   2.798 -16.794
  285    HH   TYR  36           HH       TYR  36  -8.625   1.054 -18.239
  286   1HN   NH2  37          1HN       NH2  37  -6.497   2.710 -11.024
  287   2HN   NH2  37          2HN       NH2  37  -7.071   3.977  -9.917
  Start of MODEL   15
    1   1H    ALA   1          1H        ALA   1  -5.317  -0.849  12.537
    2   2H    ALA   1          2H        ALA   1  -5.897  -1.058  10.995
    3   3H    ALA   1          3H        ALA   1  -5.470   0.434  11.514
    4    HA   ALA   1           HA       ALA   1  -7.501  -0.950  13.033
    5   1HB   ALA   1          1HB       ALA   1  -6.964   1.178  13.905
    6   2HB   ALA   1          2HB       ALA   1  -6.842   1.923  12.295
    7   3HB   ALA   1          3HB       ALA   1  -8.425   1.497  12.960
    8    HA   PRO   2           HA       PRO   2 -10.166  -1.593   9.587
    9   1HB   PRO   2          1HB       PRO   2 -12.665  -1.515  10.728
   10   2HB   PRO   2          2HB       PRO   2 -11.483  -2.826  10.991
   11   1HG   PRO   2          1HG       PRO   2 -12.210  -0.560  12.825
   12   2HG   PRO   2          2HG       PRO   2 -11.730  -2.236  13.226
   13   1HD   PRO   2          1HD       PRO   2 -10.080   0.042  13.280
   14   2HD   PRO   2          2HD       PRO   2  -9.513  -1.653  13.296
   15    H    LEU   3           H        LEU   3  -9.786   0.153   8.224
   16    HA   LEU   3           HA       LEU   3 -11.747   2.386   8.255
   17   1HB   LEU   3          1HB       LEU   3  -8.735   2.516   7.779
   18   2HB   LEU   3          2HB       LEU   3  -9.836   3.751   7.214
   19   1HD1  LEU   3          1HD1      LEU   3 -10.618   5.154  10.596
   20   2HD1  LEU   3          2HD1      LEU   3 -11.021   5.290   8.881
   21   3HD1  LEU   3          3HD1      LEU   3 -11.642   3.926   9.835
   22   1HD2  LEU   3          1HD2      LEU   3 -10.010   2.517  11.006
   23   2HD2  LEU   3          2HD2      LEU   3  -8.493   2.114  10.160
   24   3HD2  LEU   3          3HD2      LEU   3  -8.578   3.528  11.228
   25   1HG   LEU   3          1HG       LEU   3  -8.726   4.500   9.166
   26    H    GLU   4           H        GLU   4 -12.142   3.213   6.178
   27    HA   GLU   4           HA       GLU   4 -11.618   2.409   3.626
   28   1HB   GLU   4          1HB       GLU   4 -12.881   0.147   5.076
   29   2HB   GLU   4          2HB       GLU   4 -13.709   0.587   3.600
   30   1HG   GLU   4          1HG       GLU   4 -11.992  -0.030   2.214
   31   2HG   GLU   4          2HG       GLU   4 -10.731   0.246   3.405
   32    HA   PRO   5           HA       PRO   5 -16.148   3.829   3.617
   33   1HB   PRO   5          1HB       PRO   5 -17.667   3.926   5.929
   34   2HB   PRO   5          2HB       PRO   5 -17.570   2.523   4.829
   35   1HG   PRO   5          1HG       PRO   5 -16.264   2.918   7.496
   36   2HG   PRO   5          2HG       PRO   5 -16.818   1.410   6.710
   37   1HD   PRO   5          1HD       PRO   5 -14.176   2.383   6.830
   38   2HD   PRO   5          2HD       PRO   5 -14.776   1.078   5.768
   39    H    GLU   6           H        GLU   6 -13.826   4.867   5.790
   40    HA   GLU   6           HA       GLU   6 -14.282   7.653   5.327
   41   1HB   GLU   6          1HB       GLU   6 -14.317   8.304   7.715
   42   2HB   GLU   6          2HB       GLU   6 -15.770   7.461   7.229
   43   1HG   GLU   6          1HG       GLU   6 -15.506   5.800   8.706
   44   2HG   GLU   6          2HG       GLU   6 -13.843   5.505   8.257
   45    H    TYR   7           H        TYR   7 -12.350   8.773   5.614
   46    HA   TYR   7           HA       TYR   7 -10.049   7.915   7.047
   47   1HB   TYR   7          1HB       TYR   7  -8.540   7.350   5.239
   48   2HB   TYR   7          2HB       TYR   7  -9.819   6.180   5.357
   49    HD1  TYR   7           HD1      TYR   7  -7.990   8.289   3.141
   50    HD2  TYR   7           HD2      TYR   7 -11.877   6.475   3.685
   51    HE1  TYR   7           HE1      TYR   7  -8.512   8.683   0.750
   52    HE2  TYR   7           HE2      TYR   7 -12.417   6.913   1.327
   53    HH   TYR   7           HH       TYR   7 -11.596   7.570  -0.663
   54    HA   PRO   8           HA       PRO   8 -10.041  12.329   5.694
   55   1HB   PRO   8          1HB       PRO   8  -9.529  13.498   8.132
   56   2HB   PRO   8          2HB       PRO   8 -11.161  13.086   7.533
   57   1HG   PRO   8          1HG       PRO   8  -9.489  11.653   9.571
   58   2HG   PRO   8          2HG       PRO   8 -11.269  11.795   9.459
   59   1HD   PRO   8          1HD       PRO   8  -9.685   9.591   8.638
   60   2HD   PRO   8          2HD       PRO   8 -11.400   9.862   8.214
   61    H    GLY   9           H        GLY   9  -8.303  13.623   5.256
   62   1HA   GLY   9          1HA       GLY   9  -6.095  14.329   5.057
   63   2HA   GLY   9          2HA       GLY   9  -5.606  13.205   6.332
   64    H    ASP  10           H        ASP  10  -4.327  13.705   3.735
   65    HA   ASP  10           HA       ASP  10  -3.931  10.962   2.888
   66   1HB   ASP  10          1HB       ASP  10  -5.716  12.720   1.299
   67   2HB   ASP  10          2HB       ASP  10  -4.371  12.114   0.355
   68    H    ASN  11           H        ASN  11  -1.954  11.598   3.820
   69    HA   ASN  11           HA       ASN  11   0.074  12.399   1.973
   70   1HB   ASN  11          1HB       ASN  11   0.825  14.453   3.118
   71   2HB   ASN  11          2HB       ASN  11  -0.694  14.663   2.274
   72   1HD2  ASN  11          1HD2      ASN  11   0.236  16.452   4.217
   73   2HD2  ASN  11          2HD2      ASN  11  -0.884  16.331   5.578
   74    H    ALA  12           H        ALA  12   1.193  10.562   2.618
   75    HA   ALA  12           HA       ALA  12   2.593  10.895   5.162
   76   1HB   ALA  12          1HB       ALA  12   2.135   8.766   6.039
   77   2HB   ALA  12          2HB       ALA  12   0.544   9.369   5.543
   78   3HB   ALA  12          3HB       ALA  12   1.390   8.180   4.530
   79    H    THR  13           H        THR  13   4.385   9.189   5.306
   80    HA   THR  13           HA       THR  13   6.152   9.496   3.148
   81    HB   THR  13           HB       THR  13   7.465   7.709   4.356
   82    HG1  THR  13           HG1      THR  13   6.480   7.051   6.377
   83   1HG2  THR  13          1HG2      THR  13   7.525  10.145   5.057
   84   2HG2  THR  13          2HG2      THR  13   6.299   9.760   6.285
   85   3HG2  THR  13          3HG2      THR  13   7.893   8.988   6.349
   86    HA   PRO  14           HA       PRO  14   4.890   6.353   0.346
   87   1HB   PRO  14          1HB       PRO  14   7.237   5.665  -0.931
   88   2HB   PRO  14          2HB       PRO  14   6.331   7.178  -1.210
   89   1HG   PRO  14          1HG       PRO  14   8.827   6.752   0.399
   90   2HG   PRO  14          2HG       PRO  14   8.326   8.175  -0.562
   91   1HD   PRO  14          1HD       PRO  14   8.114   7.898   2.225
   92   2HD   PRO  14          2HD       PRO  14   7.226   9.095   1.238
   93    H    GLU  15           H        GLU  15   6.809   5.607   3.029
   94    HA   GLU  15           HA       GLU  15   6.779   2.689   2.597
   95   1HB   GLU  15          1HB       GLU  15   7.926   2.528   4.679
   96   2HB   GLU  15          2HB       GLU  15   8.735   3.731   3.681
   97   1HG   GLU  15          1HG       GLU  15   8.248   5.475   5.106
   98   2HG   GLU  15          2HG       GLU  15   6.703   4.800   5.595
   99    H    GLN  16           H        GLN  16   4.627   5.124   3.872
  100    HA   GLN  16           HA       GLN  16   3.371   3.263   5.768
  101   1HB   GLN  16          1HB       GLN  16   3.663   5.779   6.132
  102   2HB   GLN  16          2HB       GLN  16   2.349   6.019   4.973
  103   1HG   GLN  16          1HG       GLN  16   0.762   4.934   6.385
  104   2HG   GLN  16          2HG       GLN  16   2.012   4.106   7.314
  105   1HE2  GLN  16          1HE2      GLN  16   0.267   7.191   6.959
  106   2HE2  GLN  16          2HE2      GLN  16   0.942   7.831   8.464
  107    H    MET  17           H        MET  17   2.358   5.002   2.794
  108    HA   MET  17           HA       MET  17  -0.062   3.492   2.464
  109   1HB   MET  17          1HB       MET  17   1.159   5.717   1.212
  110   2HB   MET  17          2HB       MET  17   1.045   4.506  -0.065
  111   1HG   MET  17          1HG       MET  17  -1.310   5.099   1.751
  112   2HG   MET  17          2HG       MET  17  -0.958   6.135   0.375
  113   1HE   MET  17          1HE       MET  17  -3.844   4.913   0.347
  114   2HE   MET  17          2HE       MET  17  -3.963   3.177  -0.024
  115   3HE   MET  17          3HE       MET  17  -3.238   3.712   1.507
  116    H    ALA  18           H        ALA  18   3.251   2.657   1.737
  117    HA   ALA  18           HA       ALA  18   2.946   0.708  -0.250
  118   1HB   ALA  18          1HB       ALA  18   5.087   1.607   0.830
  119   2HB   ALA  18          2HB       ALA  18   4.811   0.454   2.145
  120   3HB   ALA  18          3HB       ALA  18   5.061  -0.119   0.482
  121    H    GLN  19           H        GLN  19   2.153   0.502   3.193
  122    HA   GLN  19           HA       GLN  19   1.697  -2.355   3.284
  123   1HB   GLN  19          1HB       GLN  19   1.637  -0.055   5.086
  124   2HB   GLN  19          2HB       GLN  19   0.189  -1.010   5.327
  125   1HG   GLN  19          1HG       GLN  19   2.833  -2.471   5.166
  126   2HG   GLN  19          2HG       GLN  19   2.505  -1.490   6.588
  127   1HE2  GLN  19          1HE2      GLN  19   1.730  -2.742   8.266
  128   2HE2  GLN  19          2HE2      GLN  19   0.559  -4.043   8.007
  129    H    TYR  20           H        TYR  20  -0.529   0.447   3.033
  130    HA   TYR  20           HA       TYR  20  -2.952  -1.074   2.712
  131   1HB   TYR  20          1HB       TYR  20  -2.054   1.758   2.249
  132   2HB   TYR  20          2HB       TYR  20  -3.489   1.210   1.407
  133    HD1  TYR  20           HD1      TYR  20  -2.149   0.868   4.949
  134    HD2  TYR  20           HD2      TYR  20  -5.482   1.822   2.372
  135    HE1  TYR  20           HE1      TYR  20  -3.578   1.305   6.941
  136    HE2  TYR  20           HE2      TYR  20  -6.895   2.255   4.362
  137    HH   TYR  20           HH       TYR  20  -6.105   1.257   7.450
  138    H    ALA  21           H        ALA  21  -0.648   0.288   0.277
  139    HA   ALA  21           HA       ALA  21  -2.071  -0.662  -1.998
  140   1HB   ALA  21          1HB       ALA  21   0.196   0.873  -1.588
  141   2HB   ALA  21          2HB       ALA  21   0.881  -0.616  -2.265
  142   3HB   ALA  21          3HB       ALA  21  -0.374   0.280  -3.147
  143    H    ALA  22           H        ALA  22   0.429  -2.278   0.019
  144    HA   ALA  22           HA       ALA  22   0.467  -4.744  -1.443
  145   1HB   ALA  22          1HB       ALA  22   2.275  -4.069   0.080
  146   2HB   ALA  22          2HB       ALA  22   1.157  -4.119   1.460
  147   3HB   ALA  22          3HB       ALA  22   1.569  -5.612   0.600
  148    H    GLU  23           H        GLU  23  -1.945  -3.448   0.762
  149    HA   GLU  23           HA       GLU  23  -3.193  -6.072   1.232
  150   1HB   GLU  23          1HB       GLU  23  -3.298  -4.270   2.912
  151   2HB   GLU  23          2HB       GLU  23  -4.238  -3.285   1.794
  152   1HG   GLU  23          1HG       GLU  23  -5.397  -5.983   2.066
  153   2HG   GLU  23          2HG       GLU  23  -5.196  -5.215   3.633
  154    H    LEU  24           H        LEU  24  -3.847  -3.140  -0.756
  155    HA   LEU  24           HA       LEU  24  -6.164  -4.038  -1.997
  156   1HB   LEU  24          1HB       LEU  24  -4.710  -1.763  -2.211
  157   2HB   LEU  24          2HB       LEU  24  -4.185  -2.544  -3.699
  158   1HD1  LEU  24          1HD1      LEU  24  -8.260  -1.364  -3.068
  159   2HD1  LEU  24          2HD1      LEU  24  -7.398  -2.205  -1.771
  160   3HD1  LEU  24          3HD1      LEU  24  -6.930  -0.557  -2.217
  161   1HD2  LEU  24          1HD2      LEU  24  -5.495  -0.145  -4.228
  162   2HD2  LEU  24          2HD2      LEU  24  -5.412  -1.396  -5.491
  163   3HD2  LEU  24          3HD2      LEU  24  -6.961  -0.624  -5.107
  164   1HG   LEU  24          1HG       LEU  24  -6.751  -2.916  -4.146
  165    H    ARG  25           H        ARG  25  -2.834  -4.752  -3.025
  166    HA   ARG  25           HA       ARG  25  -3.345  -6.336  -5.329
  167   1HB   ARG  25          1HB       ARG  25  -1.089  -5.806  -4.778
  168   2HB   ARG  25          2HB       ARG  25  -1.209  -6.538  -3.169
  169   1HG   ARG  25          1HG       ARG  25  -1.252  -8.758  -4.044
  170   2HG   ARG  25          2HG       ARG  25  -1.569  -8.192  -5.695
  171   1HD   ARG  25          1HD       ARG  25   0.689  -7.206  -5.791
  172   2HD   ARG  25          2HD       ARG  25   1.010  -7.792  -4.141
  173    HE   ARG  25           HNE      ARG  25   0.130  -9.982  -5.736
  174   1HH1  ARG  25          2HH2      ARG  25   2.961  -7.977  -5.418
  175   2HH1  ARG  25          1HH2      ARG  25   4.056  -9.227  -5.943
  176   1HH2  ARG  25          2HH1      ARG  25   1.547 -11.572  -6.478
  177   2HH2  ARG  25          1HH1      ARG  25   3.230 -11.201  -6.655
  178    H    ARG  26           H        ARG  26  -3.771  -7.236  -1.949
  179    HA   ARG  26           HA       ARG  26  -4.274 -10.087  -2.561
  180   1HB   ARG  26          1HB       ARG  26  -5.000  -8.889   0.105
  181   2HB   ARG  26          2HB       ARG  26  -4.318 -10.470  -0.281
  182   1HG   ARG  26          1HG       ARG  26  -2.134  -9.146  -0.875
  183   2HG   ARG  26          2HG       ARG  26  -2.966  -7.786  -0.117
  184   1HD   ARG  26          1HD       ARG  26  -3.266  -9.379   1.921
  185   2HD   ARG  26          2HD       ARG  26  -1.975 -10.324   1.143
  186    HE   ARG  26           HNE      ARG  26  -1.332  -7.495   1.331
  187   1HH1  ARG  26          2HH2      ARG  26  -0.999 -10.558   2.981
  188   2HH1  ARG  26          1HH2      ARG  26   0.070  -9.935   4.210
  189   1HH2  ARG  26          2HH1      ARG  26  -0.049  -6.675   3.067
  190   2HH2  ARG  26          1HH1      ARG  26   0.635  -7.809   4.204
  191    H    TYR  27           H        TYR  27  -6.054  -7.200  -1.505
  192    HA   TYR  27           HA       TYR  27  -8.661  -8.194  -1.438
  193   1HB   TYR  27          1HB       TYR  27  -7.657  -5.801  -0.953
  194   2HB   TYR  27          2HB       TYR  27  -8.106  -5.469  -2.620
  195    HD1  TYR  27           HD1      TYR  27  -9.310  -6.407   0.744
  196    HD2  TYR  27           HD2      TYR  27 -10.485  -5.207  -3.228
  197    HE1  TYR  27           HE1      TYR  27 -11.633  -6.118   1.536
  198    HE2  TYR  27           HE2      TYR  27 -12.829  -4.870  -2.421
  199    HH   TYR  27           HH       TYR  27 -13.716  -5.445   0.982
  200    H    ILE  28           H        ILE  28  -6.921  -6.904  -4.297
  201    HA   ILE  28           HA       ILE  28  -8.790  -7.295  -6.321
  202    HB   ILE  28           HB       ILE  28  -5.795  -7.466  -6.165
  203   1HG1  ILE  28          1HG1      ILE  28  -7.554  -5.533  -7.720
  204   2HG1  ILE  28          2HG1      ILE  28  -7.194  -5.314  -6.028
  205   1HG2  ILE  28          1HG2      ILE  28  -7.395  -8.396  -8.507
  206   2HG2  ILE  28          2HG2      ILE  28  -5.985  -7.374  -8.837
  207   3HG2  ILE  28          3HG2      ILE  28  -5.813  -8.890  -7.938
  208   1HD1  ILE  28          1HD1      ILE  28  -5.564  -4.607  -8.278
  209   2HD1  ILE  28          2HD1      ILE  28  -5.278  -4.307  -6.551
  210   3HD1  ILE  28          3HD1      ILE  28  -4.671  -5.792  -7.302
  211    H    ASN  29           H        ASN  29  -6.466  -9.828  -5.218
  212    HA   ASN  29           HA       ASN  29  -7.527 -11.881  -6.909
  213   1HB   ASN  29          1HB       ASN  29  -5.283 -11.808  -5.654
  214   2HB   ASN  29          2HB       ASN  29  -6.175 -12.314  -4.216
  215   1HD2  ASN  29          1HD2      ASN  29  -6.229 -14.602  -3.947
  216   2HD2  ASN  29          2HD2      ASN  29  -6.038 -15.689  -5.334
  217    H    MET  30           H        MET  30  -8.554 -10.649  -3.775
  218    HA   MET  30           HA       MET  30 -10.485 -12.795  -3.303
  219   1HB   MET  30          1HB       MET  30  -9.031 -11.225  -1.643
  220   2HB   MET  30          2HB       MET  30 -10.478 -10.229  -1.732
  221   1HG   MET  30          1HG       MET  30 -11.279 -11.562  -0.092
  222   2HG   MET  30          2HG       MET  30 -11.551 -12.758  -1.350
  223   1HE   MET  30          1HE       MET  30  -8.530 -12.508   1.980
  224   2HE   MET  30          2HE       MET  30  -7.721 -11.955   0.493
  225   3HE   MET  30          3HE       MET  30  -9.219 -11.170   1.038
  226    H    LEU  31           H        LEU  31 -10.518  -9.753  -4.878
  227    HA   LEU  31           HA       LEU  31 -13.450  -9.406  -4.934
  228   1HB   LEU  31          1HB       LEU  31 -12.410  -7.377  -4.544
  229   2HB   LEU  31          2HB       LEU  31 -10.989  -7.800  -5.476
  230   1HD1  LEU  31          1HD1      LEU  31 -14.332  -6.804  -7.761
  231   2HD1  LEU  31          2HD1      LEU  31 -14.556  -7.336  -6.092
  232   3HD1  LEU  31          3HD1      LEU  31 -14.229  -5.625  -6.442
  233   1HD2  LEU  31          1HD2      LEU  31 -11.990  -4.993  -7.460
  234   2HD2  LEU  31          2HD2      LEU  31 -11.983  -5.064  -5.684
  235   3HD2  LEU  31          3HD2      LEU  31 -10.657  -5.791  -6.609
  236   1HG   LEU  31          1HG       LEU  31 -12.211  -7.437  -7.568
  237    H    THR  32           H        THR  32 -11.010 -10.927  -6.807
  238    HA   THR  32           HA       THR  32 -10.970 -11.925  -8.860
  239    HB   THR  32           HB       THR  32 -14.005 -11.909  -8.859
  240    HG1  THR  32           HG1      THR  32 -13.044 -12.569  -6.874
  241   1HG2  THR  32          1HG2      THR  32 -11.907 -13.842  -9.944
  242   2HG2  THR  32          2HG2      THR  32 -13.638 -14.220  -9.814
  243   3HG2  THR  32          3HG2      THR  32 -13.106 -12.924 -10.888
  244    H    ARG  33           H        ARG  33 -10.787  -9.121  -8.696
  245    HA   ARG  33           HA       ARG  33 -12.421  -7.628 -10.345
  246   1HB   ARG  33          1HB       ARG  33 -10.824  -5.889 -10.253
  247   2HB   ARG  33          2HB       ARG  33 -10.581  -6.810  -8.793
  248   1HG   ARG  33          1HG       ARG  33  -8.438  -6.593  -9.339
  249   2HG   ARG  33          2HG       ARG  33  -8.749  -8.091 -10.211
  250   1HD   ARG  33          1HD       ARG  33  -7.422  -6.582 -11.557
  251   2HD   ARG  33          2HD       ARG  33  -9.014  -6.750 -12.293
  252    HE   ARG  33           HNE      ARG  33  -9.060  -4.510 -10.540
  253   1HH1  ARG  33          2HH2      ARG  33  -8.085  -5.297 -13.758
  254   2HH1  ARG  33          1HH2      ARG  33  -7.568  -3.679 -14.148
  255   1HH2  ARG  33          2HH1      ARG  33  -8.723  -2.373 -11.187
  256   2HH2  ARG  33          1HH1      ARG  33  -8.141  -2.054 -12.785
  257    HA   PRO  34           HA       PRO  34 -11.488  -8.879 -14.477
  258   1HB   PRO  34          1HB       PRO  34 -12.223  -6.662 -15.946
  259   2HB   PRO  34          2HB       PRO  34 -13.357  -7.840 -15.226
  260   1HG   PRO  34          1HG       PRO  34 -12.666  -5.085 -14.273
  261   2HG   PRO  34          2HG       PRO  34 -14.196  -5.997 -14.101
  262   1HD   PRO  34          1HD       PRO  34 -12.189  -5.676 -12.138
  263   2HD   PRO  34          2HD       PRO  34 -13.525  -6.861 -12.087
  264    H    ARG  35           H        ARG  35  -9.427  -9.175 -14.942
  265    HA   ARG  35           HA       ARG  35  -7.484  -6.950 -14.939
  266   1HB   ARG  35          1HB       ARG  35  -7.311  -9.577 -14.184
  267   2HB   ARG  35          2HB       ARG  35  -6.625  -9.673 -15.801
  268   1HG   ARG  35          1HG       ARG  35  -4.731  -8.549 -15.220
  269   2HG   ARG  35          2HG       ARG  35  -5.565  -7.393 -14.185
  270   1HD   ARG  35          1HD       ARG  35  -5.333  -8.625 -12.285
  271   2HD   ARG  35          2HD       ARG  35  -5.533 -10.165 -13.113
  272    HE   ARG  35           HNE      ARG  35  -3.288 -10.393 -13.287
  273   1HH1  ARG  35          2HH2      ARG  35  -3.805  -6.975 -12.834
  274   2HH1  ARG  35          1HH2      ARG  35  -2.104  -6.600 -12.739
  275   1HH2  ARG  35          2HH1      ARG  35  -1.124  -9.914 -13.214
  276   2HH2  ARG  35          1HH1      ARG  35  -0.610  -8.286 -12.910
  277    H    TYR  36           H        TYR  36  -9.662  -7.864 -17.111
  278    HA   TYR  36           HA       TYR  36  -8.020  -7.213 -19.501
  279   1HB   TYR  36          1HB       TYR  36  -9.758  -9.514 -18.887
  280   2HB   TYR  36          2HB       TYR  36 -10.324  -8.663 -20.299
  281    HD1  TYR  36           HD1      TYR  36  -8.007 -11.116 -19.130
  282    HD2  TYR  36           HD2      TYR  36  -8.560  -8.070 -22.134
  283    HE1  TYR  36           HE1      TYR  36  -6.282 -12.204 -20.576
  284    HE2  TYR  36           HE2      TYR  36  -6.846  -9.139 -23.555
  285    HH   TYR  36           HH       TYR  36  -5.382 -10.856 -23.746
  286   1HN   NH2  37          1HN       NH2  37  -9.321  -6.099 -21.284
  287   2HN   NH2  37          2HN       NH2  37 -10.670  -5.106 -20.726
  Start of MODEL   16
    1   1H    ALA   1          1H        ALA   1 -20.727   6.740   7.959
    2   2H    ALA   1          2H        ALA   1 -21.809   5.631   7.386
    3   3H    ALA   1          3H        ALA   1 -20.650   5.190   8.489
    4    HA   ALA   1           HA       ALA   1 -20.463   4.854   5.851
    5   1HB   ALA   1          1HB       ALA   1 -18.485   7.059   6.465
    6   2HB   ALA   1          2HB       ALA   1 -19.105   6.495   4.898
    7   3HB   ALA   1          3HB       ALA   1 -20.127   7.492   5.939
    8    HA   PRO   2           HA       PRO   2 -17.293   2.356   7.700
    9   1HB   PRO   2          1HB       PRO   2 -15.756   1.598   5.516
   10   2HB   PRO   2          2HB       PRO   2 -17.362   0.933   5.914
   11   1HG   PRO   2          1HG       PRO   2 -16.621   2.904   3.791
   12   2HG   PRO   2          2HG       PRO   2 -17.971   1.734   3.835
   13   1HD   PRO   2          1HD       PRO   2 -18.101   4.512   4.378
   14   2HD   PRO   2          2HD       PRO   2 -19.379   3.312   4.721
   15    H    LEU   3           H        LEU   3 -15.885   4.612   5.297
   16    HA   LEU   3           HA       LEU   3 -13.568   5.102   7.086
   17   1HB   LEU   3          1HB       LEU   3 -13.936   5.085   4.140
   18   2HB   LEU   3          2HB       LEU   3 -13.076   6.489   4.733
   19   1HD1  LEU   3          1HD1      LEU   3 -10.759   6.278   5.667
   20   2HD1  LEU   3          2HD1      LEU   3 -11.428   5.351   7.019
   21   3HD1  LEU   3          3HD1      LEU   3 -10.111   4.672   6.054
   22   1HD2  LEU   3          1HD2      LEU   3 -13.245   2.844   5.096
   23   2HD2  LEU   3          2HD2      LEU   3 -11.508   2.558   4.908
   24   3HD2  LEU   3          3HD2      LEU   3 -12.162   3.022   6.490
   25   1HG   LEU   3          1HG       LEU   3 -11.588   4.668   4.053
   26    H    GLU   4           H        GLU   4 -14.306   6.417   8.585
   27    HA   GLU   4           HA       GLU   4 -15.823   8.847   8.049
   28   1HB   GLU   4          1HB       GLU   4 -14.793   7.444  10.435
   29   2HB   GLU   4          2HB       GLU   4 -14.520   9.186  10.508
   30   1HG   GLU   4          1HG       GLU   4 -16.940   9.548   9.921
   31   2HG   GLU   4          2HG       GLU   4 -17.183   7.803  10.047
   32    HA   PRO   5           HA       PRO   5 -11.719  11.127   8.386
   33   1HB   PRO   5          1HB       PRO   5  -9.293   9.789   8.477
   34   2HB   PRO   5          2HB       PRO   5 -10.221  10.320   9.908
   35   1HG   PRO   5          1HG       PRO   5  -9.921   7.569   8.783
   36   2HG   PRO   5          2HG       PRO   5 -10.259   8.085  10.462
   37   1HD   PRO   5          1HD       PRO   5 -12.119   7.134   8.540
   38   2HD   PRO   5          2HD       PRO   5 -12.500   7.870  10.123
   39    H    GLU   6           H        GLU   6 -10.920  12.032   6.574
   40    HA   GLU   6           HA       GLU   6 -10.804  10.390   4.103
   41   1HB   GLU   6          1HB       GLU   6 -10.885  13.400   4.530
   42   2HB   GLU   6          2HB       GLU   6 -10.827  12.593   2.970
   43   1HG   GLU   6          1HG       GLU   6 -13.044  12.459   2.914
   44   2HG   GLU   6          2HG       GLU   6 -13.017  11.362   4.273
   45    H    TYR   7           H        TYR   7  -9.060  10.573   2.652
   46    HA   TYR   7           HA       TYR   7  -6.454  10.635   3.879
   47   1HB   TYR   7          1HB       TYR   7  -7.370  10.333   0.989
   48   2HB   TYR   7          2HB       TYR   7  -5.719  10.104   1.522
   49    HD1  TYR   7           HD1      TYR   7  -9.097   8.638   1.477
   50    HD2  TYR   7           HD2      TYR   7  -5.077   8.188   2.976
   51    HE1  TYR   7           HE1      TYR   7  -9.611   6.303   2.140
   52    HE2  TYR   7           HE2      TYR   7  -5.593   5.826   3.617
   53    HH   TYR   7           HH       TYR   7  -8.842   4.529   3.512
   54    HA   PRO   8           HA       PRO   8  -5.315  14.857   2.794
   55   1HB   PRO   8          1HB       PRO   8  -2.570  14.611   2.440
   56   2HB   PRO   8          2HB       PRO   8  -3.392  14.672   4.021
   57   1HG   PRO   8          1HG       PRO   8  -2.218  12.320   2.605
   58   2HG   PRO   8          2HG       PRO   8  -2.442  12.602   4.356
   59   1HD   PRO   8          1HD       PRO   8  -4.070  11.040   2.627
   60   2HD   PRO   8          2HD       PRO   8  -4.437  11.485   4.317
   61    H    GLY   9           H        GLY   9  -3.860  15.987   1.003
   62   1HA   GLY   9          1HA       GLY   9  -5.046  15.695  -1.476
   63   2HA   GLY   9          2HA       GLY   9  -3.496  16.493  -1.215
   64    H    ASP  10           H        ASP  10  -1.540  15.293  -1.626
   65    HA   ASP  10           HA       ASP  10  -1.359  12.567  -2.188
   66   1HB   ASP  10          1HB       ASP  10  -2.653  13.308  -4.346
   67   2HB   ASP  10          2HB       ASP  10  -1.155  14.024  -4.853
   68    H    ASN  11           H        ASN  11   0.439  13.036  -0.794
   69    HA   ASN  11           HA       ASN  11   2.958  13.524  -2.064
   70   1HB   ASN  11          1HB       ASN  11   3.561  15.634  -0.938
   71   2HB   ASN  11          2HB       ASN  11   2.338  15.858  -2.165
   72   1HD2  ASN  11          1HD2      ASN  11   2.732  17.828  -0.387
   73   2HD2  ASN  11          2HD2      ASN  11   1.399  17.833   0.797
   74    H    ALA  12           H        ALA  12   3.014  11.431  -0.880
   75    HA   ALA  12           HA       ALA  12   4.537  11.873   1.548
   76   1HB   ALA  12          1HB       ALA  12   2.139   9.991   1.681
   77   2HB   ALA  12          2HB       ALA  12   3.252  10.451   2.996
   78   3HB   ALA  12          3HB       ALA  12   2.124  11.643   2.333
   79    H    THR  13           H        THR  13   6.242  10.490   1.480
   80    HA   THR  13           HA       THR  13   6.852   8.856  -0.718
   81    HB   THR  13           HB       THR  13   8.606   7.928   0.875
   82    HG1  THR  13           HG1      THR  13   8.556   8.640   2.976
   83   1HG2  THR  13          1HG2      THR  13   8.921  10.100  -0.431
   84   2HG2  THR  13          2HG2      THR  13   8.392  10.968   1.028
   85   3HG2  THR  13          3HG2      THR  13   9.861   9.979   1.069
   86    HA   PRO  14           HA       PRO  14   4.649   5.124   0.269
   87   1HB   PRO  14          1HB       PRO  14   6.068   3.194  -1.069
   88   2HB   PRO  14          2HB       PRO  14   5.081   4.444  -1.860
   89   1HG   PRO  14          1HG       PRO  14   8.067   4.340  -1.561
   90   2HG   PRO  14          2HG       PRO  14   7.079   4.970  -2.914
   91   1HD   PRO  14          1HD       PRO  14   8.268   6.492  -0.854
   92   2HD   PRO  14          2HD       PRO  14   6.989   7.056  -1.968
   93    H    GLU  15           H        GLU  15   5.794   5.953   2.444
   94    HA   GLU  15           HA       GLU  15   7.229   3.681   3.741
   95   1HB   GLU  15          1HB       GLU  15   7.686   5.172   5.538
   96   2HB   GLU  15          2HB       GLU  15   8.119   5.981   4.033
   97   1HG   GLU  15          1HG       GLU  15   6.234   7.459   4.157
   98   2HG   GLU  15          2HG       GLU  15   5.435   6.493   5.387
   99    H    GLN  16           H        GLN  16   4.123   5.085   3.455
  100    HA   GLN  16           HA       GLN  16   3.041   3.341   5.640
  101   1HB   GLN  16          1HB       GLN  16   3.051   5.942   5.989
  102   2HB   GLN  16          2HB       GLN  16   1.713   5.942   4.833
  103   1HG   GLN  16          1HG       GLN  16   0.531   4.254   6.306
  104   2HG   GLN  16          2HG       GLN  16   1.875   4.374   7.451
  105   1HE2  GLN  16          1HE2      GLN  16   1.501   5.818   9.182
  106   2HE2  GLN  16          2HE2      GLN  16   0.428   7.192   8.997
  107    H    MET  17           H        MET  17   2.066   5.074   2.623
  108    HA   MET  17           HA       MET  17  -0.160   3.437   2.054
  109   1HB   MET  17          1HB       MET  17   1.325   5.532   0.695
  110   2HB   MET  17          2HB       MET  17   1.034   4.219  -0.448
  111   1HG   MET  17          1HG       MET  17  -1.075   5.540   1.289
  112   2HG   MET  17          2HG       MET  17  -0.811   5.877  -0.424
  113   1HE   MET  17          1HE       MET  17  -4.045   3.392   0.879
  114   2HE   MET  17          2HE       MET  17  -3.037   4.446   1.889
  115   3HE   MET  17          3HE       MET  17  -3.816   5.093   0.421
  116    H    ALA  18           H        ALA  18   3.225   2.708   1.648
  117    HA   ALA  18           HA       ALA  18   3.165   0.588  -0.190
  118   1HB   ALA  18          1HB       ALA  18   4.974  -0.080   1.939
  119   2HB   ALA  18          2HB       ALA  18   5.340   0.657   0.371
  120   3HB   ALA  18          3HB       ALA  18   4.989   1.675   1.778
  121    H    GLN  19           H        GLN  19   1.968   0.655   3.137
  122    HA   GLN  19           HA       GLN  19   1.676  -2.229   3.399
  123   1HB   GLN  19          1HB       GLN  19   1.555   0.100   5.082
  124   2HB   GLN  19          2HB       GLN  19  -0.009  -0.664   5.216
  125   1HG   GLN  19          1HG       GLN  19   2.513  -2.349   5.421
  126   2HG   GLN  19          2HG       GLN  19   2.065  -1.294   6.755
  127   1HE2  GLN  19          1HE2      GLN  19   2.011  -3.537   7.867
  128   2HE2  GLN  19          2HE2      GLN  19   0.414  -4.290   7.792
  129    H    TYR  20           H        TYR  20  -0.725   0.423   3.132
  130    HA   TYR  20           HA       TYR  20  -3.018  -1.130   2.600
  131   1HB   TYR  20          1HB       TYR  20  -2.170   1.707   2.217
  132   2HB   TYR  20          2HB       TYR  20  -3.460   1.168   1.168
  133    HD1  TYR  20           HD1      TYR  20  -5.615   0.367   2.028
  134    HD2  TYR  20           HD2      TYR  20  -2.601   2.022   4.632
  135    HE1  TYR  20           HE1      TYR  20  -7.353   0.805   3.771
  136    HE2  TYR  20           HE2      TYR  20  -4.345   2.463   6.361
  137    HH   TYR  20           HH       TYR  20  -6.918   2.882   6.346
  138    H    ALA  21           H        ALA  21  -0.619   0.167   0.245
  139    HA   ALA  21           HA       ALA  21  -1.931  -0.705  -2.109
  140   1HB   ALA  21          1HB       ALA  21   1.082  -0.560  -1.669
  141   2HB   ALA  21          2HB       ALA  21   0.174  -0.299  -3.177
  142   3HB   ALA  21          3HB       ALA  21   0.060   0.878  -1.862
  143    H    ALA  22           H        ALA  22   0.472  -2.404  -0.021
  144    HA   ALA  22           HA       ALA  22   0.465  -4.853  -1.515
  145   1HB   ALA  22          1HB       ALA  22   2.050  -5.441  -0.033
  146   2HB   ALA  22          2HB       ALA  22   1.886  -3.847   0.695
  147   3HB   ALA  22          3HB       ALA  22   0.968  -5.190   1.357
  148    H    GLU  23           H        GLU  23  -1.723  -3.554   0.941
  149    HA   GLU  23           HA       GLU  23  -3.164  -6.005   1.442
  150   1HB   GLU  23          1HB       GLU  23  -3.065  -3.632   2.701
  151   2HB   GLU  23          2HB       GLU  23  -4.521  -3.325   1.770
  152   1HG   GLU  23          1HG       GLU  23  -4.232  -5.915   3.339
  153   2HG   GLU  23          2HG       GLU  23  -4.517  -4.409   4.195
  154    H    LEU  24           H        LEU  24  -3.959  -3.137  -0.570
  155    HA   LEU  24           HA       LEU  24  -6.262  -4.178  -1.744
  156   1HB   LEU  24          1HB       LEU  24  -4.860  -1.822  -2.056
  157   2HB   LEU  24          2HB       LEU  24  -4.538  -2.609  -3.600
  158   1HD1  LEU  24          1HD1      LEU  24  -7.787  -0.726  -2.092
  159   2HD1  LEU  24          2HD1      LEU  24  -8.470  -2.363  -2.126
  160   3HD1  LEU  24          3HD1      LEU  24  -7.067  -2.008  -1.111
  161   1HD2  LEU  24          1HD2      LEU  24  -5.958  -0.197  -3.782
  162   2HD2  LEU  24          2HD2      LEU  24  -6.012  -1.351  -5.132
  163   3HD2  LEU  24          3HD2      LEU  24  -7.519  -0.664  -4.500
  164   1HG   LEU  24          1HG       LEU  24  -7.078  -3.020  -3.767
  165    H    ARG  25           H        ARG  25  -2.889  -4.712  -2.809
  166    HA   ARG  25           HA       ARG  25  -3.298  -6.293  -5.102
  167   1HB   ARG  25          1HB       ARG  25  -1.085  -5.771  -4.484
  168   2HB   ARG  25          2HB       ARG  25  -1.256  -6.473  -2.878
  169   1HG   ARG  25          1HG       ARG  25  -1.295  -8.714  -3.712
  170   2HG   ARG  25          2HG       ARG  25  -1.436  -8.168  -5.389
  171   1HD   ARG  25          1HD       ARG  25   0.775  -7.992  -5.618
  172   2HD   ARG  25          2HD       ARG  25   0.926  -6.991  -4.163
  173    HE   ARG  25           HNE      ARG  25   0.534  -9.712  -3.397
  174   1HH1  ARG  25          2HH2      ARG  25   3.018  -7.719  -4.822
  175   2HH1  ARG  25          1HH2      ARG  25   4.329  -8.697  -4.207
  176   1HH2  ARG  25          2HH1      ARG  25   2.267 -10.932  -2.559
  177   2HH2  ARG  25          1HH1      ARG  25   3.894 -10.447  -2.931
  178    H    ARG  26           H        ARG  26  -3.748  -7.313  -1.743
  179    HA   ARG  26           HA       ARG  26  -4.301 -10.121  -2.454
  180   1HB   ARG  26          1HB       ARG  26  -5.058  -8.947   0.224
  181   2HB   ARG  26          2HB       ARG  26  -4.462 -10.557  -0.187
  182   1HG   ARG  26          1HG       ARG  26  -2.201  -9.373  -0.711
  183   2HG   ARG  26          2HG       ARG  26  -2.939  -7.966   0.060
  184   1HD   ARG  26          1HD       ARG  26  -3.311 -10.184   1.830
  185   2HD   ARG  26          2HD       ARG  26  -1.634 -10.214   1.293
  186    HE   ARG  26           HNE      ARG  26  -2.948  -8.206   2.981
  187   1HH1  ARG  26          2HH2      ARG  26  -0.235  -8.632   0.881
  188   2HH1  ARG  26          1HH2      ARG  26   0.743  -7.415   1.639
  189   1HH2  ARG  26          2HH1      ARG  26  -1.746  -6.570   3.929
  190   2HH2  ARG  26          1HH1      ARG  26  -0.157  -6.225   3.350
  191    H    TYR  27           H        TYR  27  -6.089  -7.239  -1.413
  192    HA   TYR  27           HA       TYR  27  -8.708  -8.224  -1.398
  193   1HB   TYR  27          1HB       TYR  27  -7.686  -5.854  -0.878
  194   2HB   TYR  27          2HB       TYR  27  -8.139  -5.491  -2.536
  195    HD1  TYR  27           HD1      TYR  27  -9.116  -4.855   0.591
  196    HD2  TYR  27           HD2      TYR  27 -10.806  -6.697  -2.940
  197    HE1  TYR  27           HE1      TYR  27 -11.417  -4.332   1.385
  198    HE2  TYR  27           HE2      TYR  27 -13.074  -6.246  -2.099
  199    HH   TYR  27           HH       TYR  27 -14.130  -5.828   0.345
  200    H    ILE  28           H        ILE  28  -6.938  -6.857  -4.214
  201    HA   ILE  28           HA       ILE  28  -8.900  -7.053  -6.200
  202    HB   ILE  28           HB       ILE  28  -5.913  -7.483  -6.334
  203   1HG1  ILE  28          1HG1      ILE  28  -7.313  -4.950  -7.276
  204   2HG1  ILE  28          2HG1      ILE  28  -7.083  -5.169  -5.577
  205   1HG2  ILE  28          1HG2      ILE  28  -7.321  -6.496  -8.791
  206   2HG2  ILE  28          2HG2      ILE  28  -5.829  -7.420  -8.620
  207   3HG2  ILE  28          3HG2      ILE  28  -7.378  -8.232  -8.469
  208   1HD1  ILE  28          1HD1      ILE  28  -4.933  -4.523  -5.727
  209   2HD1  ILE  28          2HD1      ILE  28  -4.566  -5.786  -6.913
  210   3HD1  ILE  28          3HD1      ILE  28  -5.179  -4.209  -7.444
  211    H    ASN  29           H        ASN  29  -6.481  -9.593  -5.387
  212    HA   ASN  29           HA       ASN  29  -7.518 -11.595  -7.120
  213   1HB   ASN  29          1HB       ASN  29  -5.266 -11.473  -5.863
  214   2HB   ASN  29          2HB       ASN  29  -6.130 -12.096  -4.454
  215   1HD2  ASN  29          1HD2      ASN  29  -5.803 -14.356  -4.288
  216   2HD2  ASN  29          2HD2      ASN  29  -5.700 -15.351  -5.756
  217    H    MET  30           H        MET  30  -8.342 -10.742  -3.776
  218    HA   MET  30           HA       MET  30 -10.371 -12.792  -3.367
  219   1HB   MET  30          1HB       MET  30  -9.274 -10.389  -1.912
  220   2HB   MET  30          2HB       MET  30 -10.834 -11.005  -1.416
  221   1HG   MET  30          1HG       MET  30  -8.648 -13.023  -1.810
  222   2HG   MET  30          2HG       MET  30  -8.472 -11.922  -0.449
  223   1HE   MET  30          1HE       MET  30 -11.483 -12.595   1.822
  224   2HE   MET  30          2HE       MET  30  -9.794 -12.035   1.776
  225   3HE   MET  30          3HE       MET  30 -11.021 -11.255   0.756
  226    H    LEU  31           H        LEU  31 -10.448  -9.888  -5.117
  227    HA   LEU  31           HA       LEU  31 -13.421  -9.682  -5.025
  228   1HB   LEU  31          1HB       LEU  31 -12.759  -7.566  -4.571
  229   2HB   LEU  31          2HB       LEU  31 -11.162  -7.798  -5.238
  230   1HD1  LEU  31          1HD1      LEU  31 -14.599  -7.630  -6.461
  231   2HD1  LEU  31          2HD1      LEU  31 -14.363  -5.879  -6.445
  232   3HD1  LEU  31          3HD1      LEU  31 -14.201  -6.793  -7.966
  233   1HD2  LEU  31          1HD2      LEU  31 -10.771  -5.771  -6.505
  234   2HD2  LEU  31          2HD2      LEU  31 -12.186  -4.971  -7.216
  235   3HD2  LEU  31          3HD2      LEU  31 -12.113  -5.260  -5.468
  236   1HG   LEU  31          1HG       LEU  31 -12.089  -7.478  -7.533
  237    H    THR  32           H        THR  32 -10.979 -11.111  -6.838
  238    HA   THR  32           HA       THR  32 -10.800 -11.944  -8.956
  239    HB   THR  32           HB       THR  32 -13.830 -11.808  -9.121
  240    HG1  THR  32           HG1      THR  32 -12.187 -13.694  -7.785
  241   1HG2  THR  32          1HG2      THR  32 -12.739 -12.728 -11.157
  242   2HG2  THR  32          2HG2      THR  32 -11.844 -13.890 -10.150
  243   3HG2  THR  32          3HG2      THR  32 -13.617 -13.970 -10.268
  244    H    ARG  33           H        ARG  33 -10.614  -9.108  -8.572
  245    HA   ARG  33           HA       ARG  33 -12.036  -7.418 -10.212
  246   1HB   ARG  33          1HB       ARG  33 -10.227  -6.675  -8.645
  247   2HB   ARG  33          2HB       ARG  33  -9.058  -7.360  -9.764
  248   1HG   ARG  33          1HG       ARG  33  -8.912  -5.111 -10.241
  249   2HG   ARG  33          2HG       ARG  33  -9.941  -5.682 -11.525
  250   1HD   ARG  33          1HD       ARG  33 -11.485  -4.142 -10.957
  251   2HD   ARG  33          2HD       ARG  33 -11.716  -4.945  -9.416
  252    HE   ARG  33           HNE      ARG  33 -10.394  -3.328  -8.369
  253   1HH1  ARG  33          2HH2      ARG  33 -10.078  -2.866 -11.849
  254   2HH1  ARG  33          1HH2      ARG  33  -9.294  -1.318 -11.680
  255   1HH2  ARG  33          2HH1      ARG  33  -9.256  -1.364  -8.231
  256   2HH2  ARG  33          1HH1      ARG  33  -8.872  -0.505  -9.711
  257    HA   PRO  34           HA       PRO  34 -11.042  -8.964 -14.299
  258   1HB   PRO  34          1HB       PRO  34 -12.153  -6.938 -15.836
  259   2HB   PRO  34          2HB       PRO  34 -13.063  -8.277 -15.078
  260   1HG   PRO  34          1HG       PRO  34 -12.852  -5.419 -14.206
  261   2HG   PRO  34          2HG       PRO  34 -14.203  -6.574 -13.999
  262   1HD   PRO  34          1HD       PRO  34 -12.302  -5.858 -12.060
  263   2HD   PRO  34          2HD       PRO  34 -13.376  -7.279 -11.974
  264    H    ARG  35           H        ARG  35  -8.930  -8.918 -14.763
  265    HA   ARG  35           HA       ARG  35  -7.761  -6.485 -15.931
  266   1HB   ARG  35          1HB       ARG  35  -7.430  -6.697 -13.295
  267   2HB   ARG  35          2HB       ARG  35  -6.125  -7.770 -13.718
  268   1HG   ARG  35          1HG       ARG  35  -6.338  -5.032 -15.055
  269   2HG   ARG  35          2HG       ARG  35  -5.833  -5.153 -13.381
  270   1HD   ARG  35          1HD       ARG  35  -3.812  -5.142 -14.409
  271   2HD   ARG  35          2HD       ARG  35  -4.069  -6.882 -14.207
  272    HE   ARG  35           HNE      ARG  35  -5.076  -6.136 -16.753
  273   1HH1  ARG  35          2HH2      ARG  35  -1.987  -6.214 -15.156
  274   2HH1  ARG  35          1HH2      ARG  35  -1.059  -6.367 -16.619
  275   1HH2  ARG  35          2HH1      ARG  35  -3.915  -6.423 -18.643
  276   2HH2  ARG  35          1HH1      ARG  35  -2.173  -6.351 -18.600
  277    H    TYR  36           H        TYR  36  -7.923  -7.791 -17.845
  278    HA   TYR  36           HA       TYR  36  -5.734  -9.774 -18.125
  279   1HB   TYR  36          1HB       TYR  36  -7.093 -11.394 -19.041
  280   2HB   TYR  36          2HB       TYR  36  -8.035 -10.819 -17.687
  281    HD1  TYR  36           HD1      TYR  36  -8.024 -11.520 -21.183
  282    HD2  TYR  36           HD2      TYR  36  -9.889  -8.990 -18.230
  283    HE1  TYR  36           HE1      TYR  36  -9.910 -11.050 -22.761
  284    HE2  TYR  36           HE2      TYR  36 -11.755  -8.523 -19.804
  285    HH   TYR  36           HH       TYR  36 -12.731  -9.108 -21.822
  286   1HN   NH2  37          1HN       NH2  37  -4.459  -9.445 -19.997
  287   2HN   NH2  37          2HN       NH2  37  -5.047  -8.387 -21.282
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1   5.953  -0.491  17.122
    2   2H    ALA   1          2H        ALA   1   7.082  -1.209  16.163
    3   3H    ALA   1          3H        ALA   1   7.546  -0.489  17.563
    4    HA   ALA   1           HA       ALA   1   6.980   1.653  16.775
    5   1HB   ALA   1          1HB       ALA   1   9.005   0.008  15.370
    6   2HB   ALA   1          2HB       ALA   1   8.480   1.460  14.493
    7   3HB   ALA   1          3HB       ALA   1   9.126   1.610  16.130
    8    HA   PRO   2           HA       PRO   2   4.601   1.338  12.745
    9   1HB   PRO   2          1HB       PRO   2   4.250  -1.021  11.384
   10   2HB   PRO   2          2HB       PRO   2   5.653   0.049  11.146
   11   1HG   PRO   2          1HG       PRO   2   5.505  -2.535  12.666
   12   2HG   PRO   2          2HG       PRO   2   6.864  -1.839  11.733
   13   1HD   PRO   2          1HD       PRO   2   6.464  -1.737  14.532
   14   2HD   PRO   2          2HD       PRO   2   7.673  -0.799  13.602
   15    H    LEU   3           H        LEU   3   2.418   0.351  12.086
   16    HA   LEU   3           HA       LEU   3   0.286  -0.163  12.554
   17   1HB   LEU   3          1HB       LEU   3   1.361  -2.022  14.712
   18   2HB   LEU   3          2HB       LEU   3  -0.311  -1.814  14.265
   19   1HD1  LEU   3          1HD1      LEU   3   2.346  -4.342  12.224
   20   2HD1  LEU   3          2HD1      LEU   3   2.743  -2.687  11.792
   21   3HD1  LEU   3          3HD1      LEU   3   2.873  -3.213  13.485
   22   1HD2  LEU   3          1HD2      LEU   3   0.463  -5.009  13.046
   23   2HD2  LEU   3          2HD2      LEU   3  -0.478  -3.987  14.127
   24   3HD2  LEU   3          3HD2      LEU   3  -0.900  -4.081  12.414
   25   1HG   LEU   3          1HG       LEU   3   0.477  -2.449  11.841
   26    H    GLU   4           H        GLU   4  -0.325   1.965  13.081
   27    HA   GLU   4           HA       GLU   4  -0.541   2.459  16.001
   28   1HB   GLU   4          1HB       GLU   4   0.641   4.026  13.788
   29   2HB   GLU   4          2HB       GLU   4  -0.509   4.954  14.753
   30   1HG   GLU   4          1HG       GLU   4   0.709   4.583  16.759
   31   2HG   GLU   4          2HG       GLU   4   1.588   3.213  16.086
   32    HA   PRO   5           HA       PRO   5  -4.867   3.178  15.351
   33   1HB   PRO   5          1HB       PRO   5  -5.477   5.101  17.221
   34   2HB   PRO   5          2HB       PRO   5  -5.062   3.416  17.628
   35   1HG   PRO   5          1HG       PRO   5  -3.356   5.879  17.832
   36   2HG   PRO   5          2HG       PRO   5  -3.378   4.421  18.872
   37   1HD   PRO   5          1HD       PRO   5  -1.571   4.992  16.778
   38   2HD   PRO   5          2HD       PRO   5  -1.786   3.404  17.573
   39    H    GLU   6           H        GLU   6  -2.698   5.091  14.029
   40    HA   GLU   6           HA       GLU   6  -3.714   7.613  13.455
   41   1HB   GLU   6          1HB       GLU   6  -2.314   7.535  11.501
   42   2HB   GLU   6          2HB       GLU   6  -1.489   6.790  12.860
   43   1HG   GLU   6          1HG       GLU   6  -2.785   4.628  11.535
   44   2HG   GLU   6          2HG       GLU   6  -2.223   5.673  10.237
   45    H    TYR   7           H        TYR   7  -5.282   8.455  12.214
   46    HA   TYR   7           HA       TYR   7  -7.442   6.784  11.394
   47   1HB   TYR   7          1HB       TYR   7  -6.718   9.698  11.114
   48   2HB   TYR   7          2HB       TYR   7  -8.044   9.092  10.157
   49    HD1  TYR   7           HD1      TYR   7  -7.330  10.641  13.197
   50    HD2  TYR   7           HD2      TYR   7  -9.750   7.460  11.572
   51    HE1  TYR   7           HE1      TYR   7  -8.994  10.926  15.051
   52    HE2  TYR   7           HE2      TYR   7 -11.364   7.718  13.411
   53    HH   TYR   7           HH       TYR   7 -11.913   8.887  15.285
   54    HA   PRO   8           HA       PRO   8  -6.393   5.756   7.211
   55   1HB   PRO   8          1HB       PRO   8  -8.847   5.701   5.939
   56   2HB   PRO   8          2HB       PRO   8  -8.283   4.458   7.090
   57   1HG   PRO   8          1HG       PRO   8 -10.237   6.694   7.534
   58   2HG   PRO   8          2HG       PRO   8 -10.206   5.052   8.249
   59   1HD   PRO   8          1HD       PRO   8  -9.294   7.433   9.433
   60   2HD   PRO   8          2HD       PRO   8  -8.909   5.778  10.001
   61    H    GLY   9           H        GLY   9  -6.776   6.483   4.892
   62   1HA   GLY   9          1HA       GLY   9  -7.472   8.528   3.522
   63   2HA   GLY   9          2HA       GLY   9  -6.601   9.461   4.748
   64    H    ASP  10           H        ASP  10  -6.243   8.526   1.667
   65    HA   ASP  10           HA       ASP  10  -3.544   7.496   1.635
   66   1HB   ASP  10          1HB       ASP  10  -3.804   7.953  -0.800
   67   2HB   ASP  10          2HB       ASP  10  -5.055   6.919  -0.123
   68    H    ASN  11           H        ASN  11  -2.528   9.063   3.066
   69    HA   ASN  11           HA       ASN  11  -1.178  11.182   1.639
   70   1HB   ASN  11          1HB       ASN  11  -1.995  13.082   3.131
   71   2HB   ASN  11          2HB       ASN  11  -3.083  12.566   1.859
   72   1HD2  ASN  11          1HD2      ASN  11  -4.904  11.152   2.471
   73   2HD2  ASN  11          2HD2      ASN  11  -5.446  11.237   4.178
   74    H    ALA  12           H        ALA  12   0.504   9.690   2.499
   75    HA   ALA  12           HA       ALA  12   1.600  10.852   4.911
   76   1HB   ALA  12          1HB       ALA  12   1.759   8.743   6.194
   77   2HB   ALA  12          2HB       ALA  12   0.070   9.137   5.873
   78   3HB   ALA  12          3HB       ALA  12   0.869   7.892   4.902
   79    H    THR  13           H        THR  13   3.605   9.229   5.479
   80    HA   THR  13           HA       THR  13   5.602   9.629   3.578
   81    HB   THR  13           HB       THR  13   6.844   7.920   4.970
   82    HG1  THR  13           HG1      THR  13   5.288   6.552   5.709
   83   1HG2  THR  13          1HG2      THR  13   6.648  10.355   5.672
   84   2HG2  THR  13          2HG2      THR  13   5.292   9.865   6.721
   85   3HG2  THR  13          3HG2      THR  13   6.907   9.194   6.992
   86    HA   PRO  14           HA       PRO  14   4.905   6.522   0.566
   87   1HB   PRO  14          1HB       PRO  14   7.461   5.964  -0.360
   88   2HB   PRO  14          2HB       PRO  14   6.504   7.414  -0.766
   89   1HG   PRO  14          1HG       PRO  14   8.790   7.154   1.148
   90   2HG   PRO  14          2HG       PRO  14   8.282   8.561   0.168
   91   1HD   PRO  14          1HD       PRO  14   7.763   8.153   2.904
   92   2HD   PRO  14          2HD       PRO  14   6.932   9.335   1.853
   93    H    GLU  15           H        GLU  15   6.672   5.746   3.378
   94    HA   GLU  15           HA       GLU  15   6.742   2.844   2.970
   95   1HB   GLU  15          1HB       GLU  15   7.639   2.776   5.219
   96   2HB   GLU  15          2HB       GLU  15   8.463   4.042   4.302
   97   1HG   GLU  15          1HG       GLU  15   7.061   5.764   5.356
   98   2HG   GLU  15          2HG       GLU  15   6.169   4.546   6.255
   99    H    GLN  16           H        GLN  16   4.289   5.127   3.964
  100    HA   GLN  16           HA       GLN  16   2.965   3.195   5.766
  101   1HB   GLN  16          1HB       GLN  16   3.174   5.770   6.075
  102   2HB   GLN  16          2HB       GLN  16   1.868   5.896   4.916
  103   1HG   GLN  16          1HG       GLN  16   1.573   4.039   7.301
  104   2HG   GLN  16          2HG       GLN  16   1.512   5.769   7.585
  105   1HE2  GLN  16          1HE2      GLN  16  -0.663   3.673   7.888
  106   2HE2  GLN  16          2HE2      GLN  16  -1.940   4.415   6.923
  107    H    MET  17           H        MET  17   2.173   4.983   2.768
  108    HA   MET  17           HA       MET  17  -0.183   3.544   2.124
  109   1HB   MET  17          1HB       MET  17   1.297   5.655   0.997
  110   2HB   MET  17          2HB       MET  17   1.365   4.404  -0.245
  111   1HG   MET  17          1HG       MET  17  -1.222   5.193   1.135
  112   2HG   MET  17          2HG       MET  17  -0.619   6.076  -0.263
  113   1HE   MET  17          1HE       MET  17  -3.367   5.175  -1.382
  114   2HE   MET  17          2HE       MET  17  -3.752   3.494  -0.931
  115   3HE   MET  17          3HE       MET  17  -3.327   4.671   0.327
  116    H    ALA  18           H        ALA  18   3.159   2.577   1.771
  117    HA   ALA  18           HA       ALA  18   3.007   0.489  -0.090
  118   1HB   ALA  18          1HB       ALA  18   5.040  -0.277   0.928
  119   2HB   ALA  18          2HB       ALA  18   5.046   1.486   1.092
  120   3HB   ALA  18          3HB       ALA  18   4.633   0.469   2.487
  121    H    GLN  19           H        GLN  19   1.882   0.558   3.283
  122    HA   GLN  19           HA       GLN  19   1.380  -2.282   3.542
  123   1HB   GLN  19          1HB       GLN  19   1.260   0.096   5.175
  124   2HB   GLN  19          2HB       GLN  19  -0.323  -0.642   5.248
  125   1HG   GLN  19          1HG       GLN  19   2.062  -2.457   5.608
  126   2HG   GLN  19          2HG       GLN  19   1.752  -1.269   6.864
  127   1HE2  GLN  19          1HE2      GLN  19  -0.370  -1.277   7.984
  128   2HE2  GLN  19          2HE2      GLN  19  -1.272  -2.796   7.967
  129    H    TYR  20           H        TYR  20  -0.774   0.515   2.921
  130    HA   TYR  20           HA       TYR  20  -3.166  -0.959   2.408
  131   1HB   TYR  20          1HB       TYR  20  -2.162   1.814   1.880
  132   2HB   TYR  20          2HB       TYR  20  -3.427   1.248   0.812
  133    HD1  TYR  20           HD1      TYR  20  -2.696   2.342   4.233
  134    HD2  TYR  20           HD2      TYR  20  -5.638   0.538   1.643
  135    HE1  TYR  20           HE1      TYR  20  -4.469   2.814   5.916
  136    HE2  TYR  20           HE2      TYR  20  -7.414   1.037   3.316
  137    HH   TYR  20           HH       TYR  20  -6.652   2.154   6.548
  138    H    ALA  21           H        ALA  21  -0.641   0.212   0.117
  139    HA   ALA  21           HA       ALA  21  -1.816  -0.747  -2.245
  140   1HB   ALA  21          1HB       ALA  21   0.249  -0.285  -3.244
  141   2HB   ALA  21          2HB       ALA  21   0.309   0.745  -1.806
  142   3HB   ALA  21          3HB       ALA  21   1.185  -0.799  -1.823
  143    H    ALA  22           H        ALA  22   0.433  -2.463  -0.013
  144    HA   ALA  22           HA       ALA  22   0.495  -4.953  -1.382
  145   1HB   ALA  22          1HB       ALA  22   1.053  -5.857   0.919
  146   2HB   ALA  22          2HB       ALA  22   2.091  -4.530   0.347
  147   3HB   ALA  22          3HB       ALA  22   0.828  -4.217   1.553
  148    H    GLU  23           H        GLU  23  -1.668  -3.959   1.385
  149    HA   GLU  23           HA       GLU  23  -3.277  -6.273   1.363
  150   1HB   GLU  23          1HB       GLU  23  -3.330  -4.567   3.107
  151   2HB   GLU  23          2HB       GLU  23  -4.173  -3.452   2.039
  152   1HG   GLU  23          1HG       GLU  23  -5.424  -6.173   2.280
  153   2HG   GLU  23          2HG       GLU  23  -5.319  -5.300   3.793
  154    H    LEU  24           H        LEU  24  -3.742  -3.292  -0.568
  155    HA   LEU  24           HA       LEU  24  -6.056  -4.001  -1.928
  156   1HB   LEU  24          1HB       LEU  24  -4.677  -1.825  -1.886
  157   2HB   LEU  24          2HB       LEU  24  -3.798  -2.462  -3.273
  158   1HD1  LEU  24          1HD1      LEU  24  -5.593   0.001  -2.813
  159   2HD1  LEU  24          2HD1      LEU  24  -5.045  -0.174  -4.495
  160   3HD1  LEU  24          3HD1      LEU  24  -6.781  -0.087  -4.121
  161   1HD2  LEU  24          1HD2      LEU  24  -4.918  -2.274  -5.564
  162   2HD2  LEU  24          2HD2      LEU  24  -5.908  -3.628  -5.029
  163   3HD2  LEU  24          3HD2      LEU  24  -6.693  -2.184  -5.636
  164   1HG   LEU  24          1HG       LEU  24  -6.837  -2.237  -3.181
  165    H    ARG  25           H        ARG  25  -2.690  -4.698  -3.018
  166    HA   ARG  25           HA       ARG  25  -3.278  -6.172  -5.373
  167   1HB   ARG  25          1HB       ARG  25  -1.007  -5.698  -4.927
  168   2HB   ARG  25          2HB       ARG  25  -1.051  -6.422  -3.323
  169   1HG   ARG  25          1HG       ARG  25  -1.239  -8.665  -4.229
  170   2HG   ARG  25          2HG       ARG  25  -1.401  -8.037  -5.871
  171   1HD   ARG  25          1HD       ARG  25   1.056  -7.025  -4.649
  172   2HD   ARG  25          2HD       ARG  25   0.956  -8.762  -4.419
  173    HE   ARG  25           HNE      ARG  25   1.108  -9.134  -6.716
  174   1HH1  ARG  25          2HH2      ARG  25   0.693  -5.698  -6.226
  175   2HH1  ARG  25          1HH2      ARG  25   1.038  -5.298  -7.886
  176   1HH2  ARG  25          2HH1      ARG  25   1.590  -8.574  -8.861
  177   2HH2  ARG  25          1HH1      ARG  25   1.585  -6.907  -9.320
  178    H    ARG  26           H        ARG  26  -3.443  -7.266  -2.031
  179    HA   ARG  26           HA       ARG  26  -4.118 -10.041  -2.749
  180   1HB   ARG  26          1HB       ARG  26  -4.781  -9.034  -0.008
  181   2HB   ARG  26          2HB       ARG  26  -4.041 -10.550  -0.518
  182   1HG   ARG  26          1HG       ARG  26  -1.954  -8.975  -1.098
  183   2HG   ARG  26          2HG       ARG  26  -2.843  -7.846  -0.066
  184   1HD   ARG  26          1HD       ARG  26  -1.417  -8.758   1.440
  185   2HD   ARG  26          2HD       ARG  26  -2.873  -9.752   1.673
  186    HE   ARG  26           HNE      ARG  26  -1.076 -10.828  -0.334
  187   1HH1  ARG  26          2HH2      ARG  26  -1.468 -10.638   3.105
  188   2HH1  ARG  26          1HH2      ARG  26  -0.624 -12.118   3.456
  189   1HH2  ARG  26          2HH1      ARG  26   0.183 -12.628   0.073
  190   2HH2  ARG  26          1HH1      ARG  26   0.381 -13.208   1.694
  191    H    TYR  27           H        TYR  27  -5.870  -7.197  -1.574
  192    HA   TYR  27           HA       TYR  27  -8.473  -8.175  -1.423
  193   1HB   TYR  27          1HB       TYR  27  -7.379  -5.790  -0.977
  194   2HB   TYR  27          2HB       TYR  27  -8.012  -5.432  -2.570
  195    HD1  TYR  27           HD1      TYR  27  -8.651  -4.771   0.623
  196    HD2  TYR  27           HD2      TYR  27 -10.691  -6.719  -2.646
  197    HE1  TYR  27           HE1      TYR  27 -10.808  -4.231   1.659
  198    HE2  TYR  27           HE2      TYR  27 -12.863  -6.194  -1.592
  199    HH   TYR  27           HH       TYR  27 -13.080  -4.413   1.486
  200    H    ILE  28           H        ILE  28  -6.839  -6.798  -4.320
  201    HA   ILE  28           HA       ILE  28  -8.842  -7.051  -6.249
  202    HB   ILE  28           HB       ILE  28  -5.839  -7.315  -6.341
  203   1HG1  ILE  28          1HG1      ILE  28  -7.782  -5.358  -7.628
  204   2HG1  ILE  28          2HG1      ILE  28  -7.088  -5.146  -6.038
  205   1HG2  ILE  28          1HG2      ILE  28  -7.690  -7.833  -8.692
  206   2HG2  ILE  28          2HG2      ILE  28  -5.991  -7.347  -8.885
  207   3HG2  ILE  28          3HG2      ILE  28  -6.380  -8.856  -8.094
  208   1HD1  ILE  28          1HD1      ILE  28  -5.784  -3.838  -7.594
  209   2HD1  ILE  28          2HD1      ILE  28  -4.784  -5.199  -7.062
  210   3HD1  ILE  28          3HD1      ILE  28  -5.553  -5.212  -8.671
  211    H    ASN  29           H        ASN  29  -6.549  -9.638  -5.361
  212    HA   ASN  29           HA       ASN  29  -7.700 -11.643  -7.031
  213   1HB   ASN  29          1HB       ASN  29  -5.407 -11.595  -5.907
  214   2HB   ASN  29          2HB       ASN  29  -6.208 -12.046  -4.398
  215   1HD2  ASN  29          1HD2      ASN  29  -5.647 -14.228  -4.087
  216   2HD2  ASN  29          2HD2      ASN  29  -5.831 -15.401  -5.417
  217    H    MET  30           H        MET  30  -8.265 -10.795  -3.622
  218    HA   MET  30           HA       MET  30 -10.371 -12.702  -3.083
  219   1HB   MET  30          1HB       MET  30  -9.030 -10.390  -1.748
  220   2HB   MET  30          2HB       MET  30 -10.677 -10.687  -1.226
  221   1HG   MET  30          1HG       MET  30  -8.677 -12.955  -1.451
  222   2HG   MET  30          2HG       MET  30  -8.698 -11.914  -0.031
  223   1HE   MET  30          1HE       MET  30 -10.362 -11.899   1.819
  224   2HE   MET  30          2HE       MET  30 -11.600 -11.262   0.713
  225   3HE   MET  30          3HE       MET  30 -11.981 -12.633   1.772
  226    H    LEU  31           H        LEU  31 -10.454  -9.787  -4.846
  227    HA   LEU  31           HA       LEU  31 -13.415  -9.550  -4.697
  228   1HB   LEU  31          1HB       LEU  31 -12.602  -7.440  -4.339
  229   2HB   LEU  31          2HB       LEU  31 -11.095  -7.774  -5.158
  230   1HD1  LEU  31          1HD1      LEU  31 -14.612  -7.342  -5.851
  231   2HD1  LEU  31          2HD1      LEU  31 -14.292  -5.704  -6.461
  232   3HD1  LEU  31          3HD1      LEU  31 -14.388  -7.072  -7.581
  233   1HD2  LEU  31          1HD2      LEU  31 -10.751  -5.865  -6.239
  234   2HD2  LEU  31          2HD2      LEU  31 -11.926  -5.220  -7.374
  235   3HD2  LEU  31          3HD2      LEU  31 -12.204  -5.060  -5.608
  236   1HG   LEU  31          1HG       LEU  31 -12.201  -7.536  -7.344
  237    H    THR  32           H        THR  32 -11.052 -11.078  -6.568
  238    HA   THR  32           HA       THR  32 -10.981 -12.029  -8.633
  239    HB   THR  32           HB       THR  32 -14.022 -11.948  -8.492
  240    HG1  THR  32           HG1      THR  32 -12.050 -13.363  -7.167
  241   1HG2  THR  32          1HG2      THR  32 -13.483 -12.809 -10.660
  242   2HG2  THR  32          2HG2      THR  32 -12.089 -13.725 -10.032
  243   3HG2  THR  32          3HG2      THR  32 -13.752 -14.217  -9.634
  244    H    ARG  33           H        ARG  33 -10.991  -9.063  -8.368
  245    HA   ARG  33           HA       ARG  33 -11.305  -8.440 -11.210
  246   1HB   ARG  33          1HB       ARG  33 -13.473  -7.929  -9.681
  247   2HB   ARG  33          2HB       ARG  33 -12.612  -6.426  -9.379
  248   1HG   ARG  33          1HG       ARG  33 -12.875  -7.397 -12.230
  249   2HG   ARG  33          2HG       ARG  33 -14.308  -6.813 -11.424
  250   1HD   ARG  33          1HD       ARG  33 -11.777  -5.128 -11.420
  251   2HD   ARG  33          2HD       ARG  33 -12.828  -5.148 -12.831
  252    HE   ARG  33           HNE      ARG  33 -13.293  -3.753 -10.374
  253   1HH1  ARG  33          2HH2      ARG  33 -15.068  -5.393 -12.899
  254   2HH1  ARG  33          1HH2      ARG  33 -16.553  -4.537 -12.607
  255   1HH2  ARG  33          2HH1      ARG  33 -15.243  -2.653  -9.992
  256   2HH2  ARG  33          1HH1      ARG  33 -16.640  -3.076 -10.933
  257    HA   PRO  34           HA       PRO  34  -7.667  -6.065  -9.957
  258   1HB   PRO  34          1HB       PRO  34  -6.932  -5.054 -12.383
  259   2HB   PRO  34          2HB       PRO  34  -6.699  -6.752 -11.898
  260   1HG   PRO  34          1HG       PRO  34  -8.801  -5.605 -13.711
  261   2HG   PRO  34          2HG       PRO  34  -7.962  -7.184 -13.798
  262   1HD   PRO  34          1HD       PRO  34 -10.523  -6.712 -12.730
  263   2HD   PRO  34          2HD       PRO  34  -9.535  -8.174 -12.455
  264    H    ARG  35           H        ARG  35  -9.398  -4.903  -8.718
  265    HA   ARG  35           HA       ARG  35 -10.476  -2.422  -9.587
  266   1HB   ARG  35          1HB       ARG  35 -10.131  -3.732  -6.993
  267   2HB   ARG  35          2HB       ARG  35  -9.660  -2.061  -6.857
  268   1HG   ARG  35          1HG       ARG  35 -11.902  -1.518  -8.135
  269   2HG   ARG  35          2HG       ARG  35 -12.375  -3.141  -7.640
  270   1HD   ARG  35          1HD       ARG  35 -11.591  -2.364  -5.250
  271   2HD   ARG  35          2HD       ARG  35 -11.656  -0.737  -5.954
  272    HE   ARG  35           HNE      ARG  35 -14.113  -2.229  -6.407
  273   1HH1  ARG  35          2HH2      ARG  35 -12.456  -0.382  -3.967
  274   2HH1  ARG  35          1HH2      ARG  35 -13.908   0.026  -3.105
  275   1HH2  ARG  35          2HH1      ARG  35 -16.055  -1.681  -5.300
  276   2HH2  ARG  35          1HH1      ARG  35 -15.913  -0.761  -3.857
  277    H    TYR  36           H        TYR  36  -9.719  -0.532  -9.965
  278    HA   TYR  36           HA       TYR  36  -6.844   0.056  -9.652
  279   1HB   TYR  36          1HB       TYR  36  -8.952   0.688 -11.554
  280   2HB   TYR  36          2HB       TYR  36  -8.290   2.183 -10.934
  281    HD1  TYR  36           HD1      TYR  36  -5.492   1.882 -10.614
  282    HD2  TYR  36           HD2      TYR  36  -8.030   0.077 -13.602
  283    HE1  TYR  36           HE1      TYR  36  -3.573   1.789 -12.190
  284    HE2  TYR  36           HE2      TYR  36  -6.114   0.017 -15.190
  285    HH   TYR  36           HH       TYR  36  -2.970   1.468 -14.397
  286   1HN   NH2  37          1HN       NH2  37  -9.997   1.795  -8.862
  287   2HN   NH2  37          2HN       NH2  37  -9.196   2.660  -7.543
  Start of MODEL   18
    1   1H    ALA   1          1H        ALA   1  -8.895  19.664  11.183
    2   2H    ALA   1          2H        ALA   1  -9.120  21.250  10.814
    3   3H    ALA   1          3H        ALA   1  -7.782  20.787  11.650
    4    HA   ALA   1           HA       ALA   1  -9.411  19.875  13.348
    5   1HB   ALA   1          1HB       ALA   1  -8.106  22.457  13.110
    6   2HB   ALA   1          2HB       ALA   1  -9.630  22.596  14.013
    7   3HB   ALA   1          3HB       ALA   1  -8.402  21.438  14.532
    8    HA   PRO   2           HA       PRO   2 -13.400  22.254  12.522
    9   1HB   PRO   2          1HB       PRO   2 -13.685  23.864  10.263
   10   2HB   PRO   2          2HB       PRO   2 -13.204  24.420  11.886
   11   1HG   PRO   2          1HG       PRO   2 -11.507  24.068   9.466
   12   2HG   PRO   2          2HG       PRO   2 -11.261  25.120  10.888
   13   1HD   PRO   2          1HD       PRO   2 -10.032  22.630  10.342
   14   2HD   PRO   2          2HD       PRO   2  -9.936  23.561  11.862
   15    H    LEU   3           H        LEU   3 -12.255  21.938   9.140
   16    HA   LEU   3           HA       LEU   3 -13.397  19.337   8.614
   17   1HB   LEU   3          1HB       LEU   3 -15.480  20.682   8.600
   18   2HB   LEU   3          2HB       LEU   3 -14.691  21.903   7.619
   19   1HD1  LEU   3          1HD1      LEU   3 -16.444  18.791   7.761
   20   2HD1  LEU   3          2HD1      LEU   3 -16.519  18.435   6.027
   21   3HD1  LEU   3          3HD1      LEU   3 -15.069  18.014   6.942
   22   1HD2  LEU   3          1HD2      LEU   3 -16.185  22.055   6.072
   23   2HD2  LEU   3          2HD2      LEU   3 -16.046  20.954   4.703
   24   3HD2  LEU   3          3HD2      LEU   3 -17.288  20.675   5.941
   25   1HG   LEU   3          1HG       LEU   3 -14.425  19.971   5.837
   26    H    GLU   4           H        GLU   4 -11.970  18.572   7.166
   27    HA   GLU   4           HA       GLU   4 -11.061  19.173   4.770
   28   1HB   GLU   4          1HB       GLU   4  -9.694  21.099   6.599
   29   2HB   GLU   4          2HB       GLU   4  -8.619  20.207   5.560
   30   1HG   GLU   4          1HG       GLU   4 -11.052  21.632   4.419
   31   2HG   GLU   4          2HG       GLU   4  -9.524  22.455   4.720
   32    HA   PRO   5           HA       PRO   5  -7.752  16.387   6.613
   33   1HB   PRO   5          1HB       PRO   5  -7.358  16.098   9.319
   34   2HB   PRO   5          2HB       PRO   5  -6.530  17.311   8.300
   35   1HG   PRO   5          1HG       PRO   5  -8.787  17.699  10.224
   36   2HG   PRO   5          2HG       PRO   5  -7.502  18.841   9.710
   37   1HD   PRO   5          1HD       PRO   5 -10.190  18.718   8.775
   38   2HD   PRO   5          2HD       PRO   5  -8.858  19.695   8.088
   39    H    GLU   6           H        GLU   6  -8.867  14.668   5.923
   40    HA   GLU   6           HA       GLU   6 -10.135  12.910   7.872
   41   1HB   GLU   6          1HB       GLU   6 -12.145  12.595   6.540
   42   2HB   GLU   6          2HB       GLU   6 -12.009  14.264   7.061
   43   1HG   GLU   6          1HG       GLU   6 -10.737  14.015   4.449
   44   2HG   GLU   6          2HG       GLU   6 -12.258  13.155   4.388
   45    H    TYR   7           H        TYR   7 -10.759  10.833   6.563
   46    HA   TYR   7           HA       TYR   7  -8.693   9.335   5.655
   47   1HB   TYR   7          1HB       TYR   7 -11.637   9.300   5.232
   48   2HB   TYR   7          2HB       TYR   7 -10.700   8.334   4.121
   49    HD1  TYR   7           HD1      TYR   7 -10.080   6.170   4.650
   50    HD2  TYR   7           HD2      TYR   7 -11.026   8.919   7.840
   51    HE1  TYR   7           HE1      TYR   7  -9.951   4.308   6.302
   52    HE2  TYR   7           HE2      TYR   7 -10.881   7.068   9.480
   53    HH   TYR   7           HH       TYR   7 -10.619   4.784   9.766
   54    HA   PRO   8           HA       PRO   8  -7.929  11.651   1.821
   55   1HB   PRO   8          1HB       PRO   8  -5.185  11.238   1.670
   56   2HB   PRO   8          2HB       PRO   8  -5.986  12.546   2.578
   57   1HG   PRO   8          1HG       PRO   8  -4.681  10.087   3.624
   58   2HG   PRO   8          2HG       PRO   8  -4.998  11.650   4.433
   59   1HD   PRO   8          1HD       PRO   8  -6.504   9.209   4.651
   60   2HD   PRO   8          2HD       PRO   8  -6.864  10.780   5.394
   61    H    GLY   9           H        GLY   9  -6.776  10.996  -0.245
   62   1HA   GLY   9          1HA       GLY   9  -7.249   8.099  -0.851
   63   2HA   GLY   9          2HA       GLY   9  -7.405   9.421  -2.010
   64    H    ASP  10           H        ASP  10  -5.247   7.327  -0.302
   65    HA   ASP  10           HA       ASP  10  -3.075   6.769  -0.399
   66   1HB   ASP  10          1HB       ASP  10  -3.509   7.566  -3.290
   67   2HB   ASP  10          2HB       ASP  10  -2.118   6.663  -2.690
   68    H    ASN  11           H        ASN  11  -2.483   8.502   1.082
   69    HA   ASN  11           HA       ASN  11  -0.301  10.081   0.033
   70   1HB   ASN  11          1HB       ASN  11  -2.470  11.400  -0.577
   71   2HB   ASN  11          2HB       ASN  11  -2.577  11.773   1.137
   72   1HD2  ASN  11          1HD2      ASN  11  -0.657  12.857   2.117
   73   2HD2  ASN  11          2HD2      ASN  11   0.339  13.865   1.031
   74    H    ALA  12           H        ALA  12   0.948   9.044   1.642
   75    HA   ALA  12           HA       ALA  12   0.922  10.340   4.199
   76   1HB   ALA  12          1HB       ALA  12   0.536   8.392   5.602
   77   2HB   ALA  12          2HB       ALA  12  -0.840   8.524   4.503
   78   3HB   ALA  12          3HB       ALA  12   0.427   7.330   4.177
   79    H    THR  13           H        THR  13   2.606   8.883   5.609
   80    HA   THR  13           HA       THR  13   5.153   9.227   4.596
   81    HB   THR  13           HB       THR  13   5.808   7.667   6.457
   82    HG1  THR  13           HG1      THR  13   4.053   6.913   7.750
   83   1HG2  THR  13          1HG2      THR  13   5.236  10.109   6.887
   84   2HG2  THR  13          2HG2      THR  13   3.616   9.566   7.382
   85   3HG2  THR  13          3HG2      THR  13   5.048   9.021   8.275
   86    HA   PRO  14           HA       PRO  14   5.832   5.861   1.824
   87   1HB   PRO  14          1HB       PRO  14   8.568   5.500   1.986
   88   2HB   PRO  14          2HB       PRO  14   7.766   6.853   1.143
   89   1HG   PRO  14          1HG       PRO  14   9.147   6.851   3.796
   90   2HG   PRO  14          2HG       PRO  14   8.974   8.173   2.605
   91   1HD   PRO  14          1HD       PRO  14   7.454   7.793   4.961
   92   2HD   PRO  14          2HD       PRO  14   7.069   8.921   3.630
   93    H    GLU  15           H        GLU  15   6.117   5.465   5.135
   94    HA   GLU  15           HA       GLU  15   6.628   2.554   5.066
   95   1HB   GLU  15          1HB       GLU  15   6.678   2.664   7.456
   96   2HB   GLU  15          2HB       GLU  15   7.692   3.966   6.826
   97   1HG   GLU  15          1HG       GLU  15   5.976   5.618   7.286
   98   2HG   GLU  15          2HG       GLU  15   4.806   4.380   7.741
   99    H    GLN  16           H        GLN  16   3.929   4.684   4.763
  100    HA   GLN  16           HA       GLN  16   2.069   2.610   5.860
  101   1HB   GLN  16          1HB       GLN  16   2.006   5.067   6.661
  102   2HB   GLN  16          2HB       GLN  16   1.365   5.445   5.062
  103   1HG   GLN  16          1HG       GLN  16  -0.219   3.266   5.848
  104   2HG   GLN  16          2HG       GLN  16   0.095   4.072   7.377
  105   1HE2  GLN  16          1HE2      GLN  16  -1.051   6.047   7.800
  106   2HE2  GLN  16          2HE2      GLN  16  -2.196   6.659   6.600
  107    H    MET  17           H        MET  17   2.503   4.785   3.030
  108    HA   MET  17           HA       MET  17   0.426   3.654   1.456
  109   1HB   MET  17          1HB       MET  17   2.075   5.792   1.204
  110   2HB   MET  17          2HB       MET  17   2.887   4.704   0.079
  111   1HG   MET  17          1HG       MET  17  -0.120   5.176  -0.010
  112   2HG   MET  17          2HG       MET  17   0.993   6.310  -0.758
  113   1HE   MET  17          1HE       MET  17   2.949   4.262  -3.241
  114   2HE   MET  17          2HE       MET  17   1.928   5.667  -3.633
  115   3HE   MET  17          3HE       MET  17   2.878   5.650  -2.134
  116    H    ALA  18           H        ALA  18   3.738   2.600   1.985
  117    HA   ALA  18           HA       ALA  18   3.698   0.397   0.081
  118   1HB   ALA  18          1HB       ALA  18   5.880  -0.135   1.277
  119   2HB   ALA  18          2HB       ALA  18   5.785   1.470   0.530
  120   3HB   ALA  18          3HB       ALA  18   5.592   1.291   2.290
  121    H    GLN  19           H        GLN  19   1.830   0.707   2.711
  122    HA   GLN  19           HA       GLN  19   2.004  -2.174   3.472
  123   1HB   GLN  19          1HB       GLN  19   2.109   0.188   5.129
  124   2HB   GLN  19          2HB       GLN  19   0.536  -0.544   5.379
  125   1HG   GLN  19          1HG       GLN  19   1.848  -1.579   6.979
  126   2HG   GLN  19          2HG       GLN  19   1.786  -2.783   5.690
  127   1HE2  GLN  19          1HE2      GLN  19   3.795  -3.371   7.291
  128   2HE2  GLN  19          2HE2      GLN  19   5.298  -2.694   6.620
  129    H    TYR  20           H        TYR  20  -0.308   0.576   3.276
  130    HA   TYR  20           HA       TYR  20  -2.643  -1.063   3.127
  131   1HB   TYR  20          1HB       TYR  20  -2.185   1.575   3.466
  132   2HB   TYR  20          2HB       TYR  20  -2.615   1.618   1.770
  133    HD1  TYR  20           HD1      TYR  20  -4.880  -0.239   1.459
  134    HD2  TYR  20           HD2      TYR  20  -3.899   2.357   4.772
  135    HE1  TYR  20           HE1      TYR  20  -7.238  -0.244   2.151
  136    HE2  TYR  20           HE2      TYR  20  -6.300   2.388   5.433
  137    HH   TYR  20           HH       TYR  20  -8.547   0.176   4.359
  138    H    ALA  21           H        ALA  21  -0.565   0.278   0.485
  139    HA   ALA  21           HA       ALA  21  -2.218  -0.490  -1.677
  140   1HB   ALA  21          1HB       ALA  21   0.827  -0.410  -1.622
  141   2HB   ALA  21          2HB       ALA  21  -0.241  -0.180  -3.029
  142   3HB   ALA  21          3HB       ALA  21  -0.210   1.030  -1.734
  143    H    ALA  22           H        ALA  22   0.242  -2.372   0.100
  144    HA   ALA  22           HA       ALA  22   0.143  -4.748  -1.497
  145   1HB   ALA  22          1HB       ALA  22   0.886  -4.242   1.412
  146   2HB   ALA  22          2HB       ALA  22   1.041  -5.814   0.619
  147   3HB   ALA  22          3HB       ALA  22   1.975  -4.426   0.025
  148    H    GLU  23           H        GLU  23  -2.096  -3.453   0.909
  149    HA   GLU  23           HA       GLU  23  -3.586  -5.877   1.359
  150   1HB   GLU  23          1HB       GLU  23  -3.482  -3.423   2.600
  151   2HB   GLU  23          2HB       GLU  23  -4.978  -3.277   1.678
  152   1HG   GLU  23          1HG       GLU  23  -5.643  -4.191   3.739
  153   2HG   GLU  23          2HG       GLU  23  -5.622  -5.578   2.649
  154    H    LEU  24           H        LEU  24  -3.960  -3.053  -0.821
  155    HA   LEU  24           HA       LEU  24  -6.437  -3.810  -2.019
  156   1HB   LEU  24          1HB       LEU  24  -5.446  -1.553  -2.308
  157   2HB   LEU  24          2HB       LEU  24  -4.102  -2.265  -3.203
  158   1HD1  LEU  24          1HD1      LEU  24  -8.025  -2.479  -4.856
  159   2HD1  LEU  24          2HD1      LEU  24  -7.763  -2.397  -3.108
  160   3HD1  LEU  24          3HD1      LEU  24  -7.694  -0.921  -4.073
  161   1HD2  LEU  24          1HD2      LEU  24  -4.402  -0.773  -4.834
  162   2HD2  LEU  24          2HD2      LEU  24  -5.166  -1.564  -6.210
  163   3HD2  LEU  24          3HD2      LEU  24  -6.022  -0.283  -5.341
  164   1HG   LEU  24          1HG       LEU  24  -5.865  -3.142  -4.868
  165    H    ARG  25           H        ARG  25  -3.093  -4.565  -3.028
  166    HA   ARG  25           HA       ARG  25  -3.568  -6.188  -5.284
  167   1HB   ARG  25          1HB       ARG  25  -1.349  -5.688  -4.744
  168   2HB   ARG  25          2HB       ARG  25  -1.474  -6.269  -3.096
  169   1HG   ARG  25          1HG       ARG  25  -1.849  -8.228  -5.374
  170   2HG   ARG  25          2HG       ARG  25  -0.234  -7.663  -4.992
  171   1HD   ARG  25          1HD       ARG  25  -0.034  -9.131  -3.328
  172   2HD   ARG  25          2HD       ARG  25  -1.358  -8.363  -2.476
  173    HE   ARG  25           HNE      ARG  25  -2.618 -10.214  -2.893
  174   1HH1  ARG  25          2HH2      ARG  25  -0.388 -10.026  -5.547
  175   2HH1  ARG  25          1HH2      ARG  25  -0.933 -11.511  -6.286
  176   1HH2  ARG  25          2HH1      ARG  25  -3.290 -12.160  -3.837
  177   2HH2  ARG  25          1HH1      ARG  25  -2.558 -12.675  -5.318
  178    H    ARG  26           H        ARG  26  -4.068  -7.019  -1.913
  179    HA   ARG  26           HA       ARG  26  -4.674  -9.852  -2.447
  180   1HB   ARG  26          1HB       ARG  26  -5.592  -8.551   0.107
  181   2HB   ARG  26          2HB       ARG  26  -4.916 -10.157  -0.188
  182   1HG   ARG  26          1HG       ARG  26  -2.709  -8.804  -0.740
  183   2HG   ARG  26          2HG       ARG  26  -3.553  -7.503   0.081
  184   1HD   ARG  26          1HD       ARG  26  -2.825  -8.239   2.029
  185   2HD   ARG  26          2HD       ARG  26  -3.773  -9.724   1.805
  186    HE   ARG  26           HNE      ARG  26  -1.257  -9.691   0.335
  187   1HH1  ARG  26          2HH2      ARG  26  -2.517 -10.289   3.505
  188   2HH1  ARG  26          1HH2      ARG  26  -1.256 -11.432   3.938
  189   1HH2  ARG  26          2HH1      ARG  26   0.382 -11.123   0.883
  190   2HH2  ARG  26          1HH1      ARG  26   0.335 -11.917   2.425
  191    H    TYR  27           H        TYR  27  -6.528  -6.967  -1.507
  192    HA   TYR  27           HA       TYR  27  -9.117  -7.951  -1.607
  193   1HB   TYR  27          1HB       TYR  27  -8.111  -5.553  -1.123
  194   2HB   TYR  27          2HB       TYR  27  -8.466  -5.257  -2.816
  195    HD1  TYR  27           HD1      TYR  27 -10.017  -6.559   0.342
  196    HD2  TYR  27           HD2      TYR  27 -10.647  -4.468  -3.377
  197    HE1  TYR  27           HE1      TYR  27 -12.349  -5.996   1.048
  198    HE2  TYR  27           HE2      TYR  27 -12.960  -3.894  -2.664
  199    HH   TYR  27           HH       TYR  27 -14.418  -3.837  -0.831
  200    H    ILE  28           H        ILE  28  -7.145  -6.894  -4.367
  201    HA   ILE  28           HA       ILE  28  -9.004  -7.309  -6.459
  202    HB   ILE  28           HB       ILE  28  -6.001  -7.343  -6.271
  203   1HG1  ILE  28          1HG1      ILE  28  -7.746  -5.466  -7.890
  204   2HG1  ILE  28          2HG1      ILE  28  -7.561  -5.231  -6.151
  205   1HG2  ILE  28          1HG2      ILE  28  -6.407  -7.142  -9.001
  206   2HG2  ILE  28          2HG2      ILE  28  -5.879  -8.602  -8.144
  207   3HG2  ILE  28          3HG2      ILE  28  -7.572  -8.373  -8.544
  208   1HD1  ILE  28          1HD1      ILE  28  -5.184  -5.420  -8.046
  209   2HD1  ILE  28          2HD1      ILE  28  -5.920  -3.903  -7.482
  210   3HD1  ILE  28          3HD1      ILE  28  -5.168  -5.011  -6.322
  211    H    ASN  29           H        ASN  29  -6.431  -9.642  -5.495
  212    HA   ASN  29           HA       ASN  29  -7.447 -11.779  -7.088
  213   1HB   ASN  29          1HB       ASN  29  -5.155 -11.516  -5.954
  214   2HB   ASN  29          2HB       ASN  29  -5.928 -12.094  -4.469
  215   1HD2  ASN  29          1HD2      ASN  29  -5.679 -14.381  -4.197
  216   2HD2  ASN  29          2HD2      ASN  29  -5.487 -15.411  -5.625
  217    H    MET  30           H        MET  30  -8.221 -10.740  -3.794
  218    HA   MET  30           HA       MET  30  -9.941 -12.905  -3.066
  219   1HB   MET  30          1HB       MET  30  -8.792 -10.935  -1.666
  220   2HB   MET  30          2HB       MET  30 -10.318 -10.112  -1.987
  221   1HG   MET  30          1HG       MET  30 -10.828 -11.183  -0.012
  222   2HG   MET  30          2HG       MET  30 -11.334 -12.435  -1.139
  223   1HE   MET  30          1HE       MET  30  -7.276 -11.840   0.375
  224   2HE   MET  30          2HE       MET  30  -8.682 -10.877   0.872
  225   3HE   MET  30          3HE       MET  30  -8.099 -12.189   1.913
  226    H    LEU  31           H        LEU  31 -10.449 -10.431  -5.368
  227    HA   LEU  31           HA       LEU  31 -13.401 -10.791  -5.277
  228   1HB   LEU  31          1HB       LEU  31 -13.594  -8.601  -5.498
  229   2HB   LEU  31          2HB       LEU  31 -11.896  -8.474  -5.247
  230   1HD1  LEU  31          1HD1      LEU  31 -14.523  -8.826  -7.629
  231   2HD1  LEU  31          2HD1      LEU  31 -14.229  -7.137  -8.023
  232   3HD1  LEU  31          3HD1      LEU  31 -13.632  -8.428  -9.093
  233   1HD2  LEU  31          1HD2      LEU  31 -11.964  -6.440  -6.115
  234   2HD2  LEU  31          2HD2      LEU  31 -10.808  -6.840  -7.389
  235   3HD2  LEU  31          3HD2      LEU  31 -12.344  -6.085  -7.799
  236   1HG   LEU  31          1HG       LEU  31 -11.762  -8.792  -7.885
  237    H    THR  32           H        THR  32 -10.793 -12.211  -6.688
  238    HA   THR  32           HA       THR  32 -10.393 -13.330  -8.635
  239    HB   THR  32           HB       THR  32 -13.378 -13.302  -9.155
  240    HG1  THR  32           HG1      THR  32 -13.114 -13.911  -7.050
  241   1HG2  THR  32          1HG2      THR  32 -11.715 -15.774  -9.470
  242   2HG2  THR  32          2HG2      THR  32 -13.129 -15.202 -10.381
  243   3HG2  THR  32          3HG2      THR  32 -11.526 -14.525 -10.708
  244    H    ARG  33           H        ARG  33 -10.311 -10.415  -8.682
  245    HA   ARG  33           HA       ARG  33 -11.629  -9.058 -10.633
  246   1HB   ARG  33          1HB       ARG  33  -9.800  -8.138  -9.110
  247   2HB   ARG  33          2HB       ARG  33  -8.648  -8.754 -10.301
  248   1HG   ARG  33          1HG       ARG  33  -8.795  -6.721 -11.267
  249   2HG   ARG  33          2HG       ARG  33 -10.314  -7.300 -11.941
  250   1HD   ARG  33          1HD       ARG  33 -11.370  -6.436  -9.721
  251   2HD   ARG  33          2HD       ARG  33  -9.845  -5.540  -9.527
  252    HE   ARG  33           HNE      ARG  33 -11.267  -5.238 -12.094
  253   1HH1  ARG  33          2HH2      ARG  33 -10.772  -3.784  -8.942
  254   2HH1  ARG  33          1HH2      ARG  33 -11.524  -2.278  -9.392
  255   1HH2  ARG  33          2HH1      ARG  33 -12.204  -3.288 -12.635
  256   2HH2  ARG  33          1HH1      ARG  33 -12.271  -2.003 -11.461
  257    HA   PRO  34           HA       PRO  34 -10.316 -11.366 -14.285
  258   1HB   PRO  34          1HB       PRO  34 -11.894 -10.084 -16.161
  259   2HB   PRO  34          2HB       PRO  34 -12.469 -11.381 -15.074
  260   1HG   PRO  34          1HG       PRO  34 -12.949  -8.431 -14.895
  261   2HG   PRO  34          2HG       PRO  34 -13.982  -9.786 -14.349
  262   1HD   PRO  34          1HD       PRO  34 -12.260  -8.196 -12.756
  263   2HD   PRO  34          2HD       PRO  34 -13.042  -9.724 -12.255
  264    H    ARG  35           H        ARG  35  -9.258 -10.829 -16.280
  265    HA   ARG  35           HA       ARG  35  -7.511  -9.928 -17.402
  266   1HB   ARG  35          1HB       ARG  35  -9.545  -8.316 -17.888
  267   2HB   ARG  35          2HB       ARG  35  -8.634  -7.160 -16.945
  268   1HG   ARG  35          1HG       ARG  35  -7.627  -6.674 -18.941
  269   2HG   ARG  35          2HG       ARG  35  -6.620  -8.073 -18.575
  270   1HD   ARG  35          1HD       ARG  35  -8.932  -9.184 -19.756
  271   2HD   ARG  35          2HD       ARG  35  -8.680  -7.683 -20.656
  272    HE   ARG  35           HNE      ARG  35  -6.178  -8.868 -20.629
  273   1HH1  ARG  35          2HH2      ARG  35  -9.325  -9.858 -21.736
  274   2HH1  ARG  35          1HH2      ARG  35  -8.701 -11.012 -22.902
  275   1HH2  ARG  35          2HH1      ARG  35  -5.396 -10.275 -22.238
  276   2HH2  ARG  35          1HH1      ARG  35  -6.514 -11.245 -23.148
  277    H    TYR  36           H        TYR  36  -5.852 -10.472 -16.037
  278    HA   TYR  36           HA       TYR  36  -5.022  -9.103 -13.736
  279   1HB   TYR  36          1HB       TYR  36  -4.332 -11.406 -14.741
  280   2HB   TYR  36          2HB       TYR  36  -3.092 -10.507 -15.600
  281    HD1  TYR  36           HD1      TYR  36  -1.569  -8.909 -14.069
  282    HD2  TYR  36           HD2      TYR  36  -3.931 -12.218 -12.597
  283    HE1  TYR  36           HE1      TYR  36  -0.186  -8.991 -12.004
  284    HE2  TYR  36           HE2      TYR  36  -2.533 -12.313 -10.558
  285    HH   TYR  36           HH       TYR  36  -1.032 -11.059  -9.300
  286   1HN   NH2  37          1HN       NH2  37  -4.281  -6.986 -13.510
  287   2HN   NH2  37          2HN       NH2  37  -3.350  -6.180 -14.777
  Start of MODEL   19
    1   1H    ALA   1          1H        ALA   1  -5.112  -4.480  21.220
    2   2H    ALA   1          2H        ALA   1  -5.199  -6.119  21.409
    3   3H    ALA   1          3H        ALA   1  -3.736  -5.389  21.167
    4    HA   ALA   1           HA       ALA   1  -4.067  -6.078  19.059
    5   1HB   ALA   1          1HB       ALA   1  -6.074  -7.310  19.362
    6   2HB   ALA   1          2HB       ALA   1  -7.026  -5.850  19.737
    7   3HB   ALA   1          3HB       ALA   1  -6.446  -6.146  18.088
    8    HA   PRO   2           HA       PRO   2  -4.014  -1.932  17.440
    9   1HB   PRO   2          1HB       PRO   2  -3.846  -2.369  14.721
   10   2HB   PRO   2          2HB       PRO   2  -2.533  -2.676  15.877
   11   1HG   PRO   2          1HG       PRO   2  -4.365  -4.654  14.563
   12   2HG   PRO   2          2HG       PRO   2  -2.651  -4.831  15.046
   13   1HD   PRO   2          1HD       PRO   2  -4.915  -5.741  16.470
   14   2HD   PRO   2          2HD       PRO   2  -3.254  -5.615  17.115
   15    H    LEU   3           H        LEU   3  -6.351  -2.063  18.402
   16    HA   LEU   3           HA       LEU   3  -8.378  -1.460  16.280
   17   1HB   LEU   3          1HB       LEU   3  -8.546  -2.968  18.883
   18   2HB   LEU   3          2HB       LEU   3  -9.915  -1.980  18.431
   19   1HD1  LEU   3          1HD1      LEU   3 -11.042  -3.898  15.525
   20   2HD1  LEU   3          2HD1      LEU   3 -11.300  -2.428  16.473
   21   3HD1  LEU   3          3HD1      LEU   3  -9.964  -2.514  15.307
   22   1HD2  LEU   3          1HD2      LEU   3  -8.868  -5.610  16.725
   23   2HD2  LEU   3          2HD2      LEU   3  -8.465  -4.407  15.485
   24   3HD2  LEU   3          3HD2      LEU   3  -7.611  -4.406  17.033
   25   1HG   LEU   3          1HG       LEU   3 -10.271  -4.247  17.797
   26    H    GLU   4           H        GLU   4  -7.847   0.603  16.087
   27    HA   GLU   4           HA       GLU   4  -9.063   2.703  17.299
   28   1HB   GLU   4          1HB       GLU   4  -6.750   1.927  19.000
   29   2HB   GLU   4          2HB       GLU   4  -6.676   3.578  18.422
   30   1HG   GLU   4          1HG       GLU   4  -9.027   3.951  19.253
   31   2HG   GLU   4          2HG       GLU   4  -8.974   2.358  19.996
   32    HA   PRO   5           HA       PRO   5  -5.533   4.545  14.759
   33   1HB   PRO   5          1HB       PRO   5  -3.313   3.119  13.990
   34   2HB   PRO   5          2HB       PRO   5  -3.467   3.985  15.540
   35   1HG   PRO   5          1HG       PRO   5  -3.677   1.040  15.009
   36   2HG   PRO   5          2HG       PRO   5  -3.086   1.899  16.464
   37   1HD   PRO   5          1HD       PRO   5  -5.639   0.752  16.087
   38   2HD   PRO   5          2HD       PRO   5  -5.163   1.870  17.394
   39    H    GLU   6           H        GLU   6  -7.380   4.343  13.370
   40    HA   GLU   6           HA       GLU   6  -6.599   3.362  10.743
   41   1HB   GLU   6          1HB       GLU   6  -8.584   2.044  10.322
   42   2HB   GLU   6          2HB       GLU   6  -7.692   1.380  11.670
   43   1HG   GLU   6          1HG       GLU   6  -9.552   1.312  12.865
   44   2HG   GLU   6          2HG       GLU   6  -9.553   3.052  12.946
   45    H    TYR   7           H        TYR   7  -7.532   4.685   9.087
   46    HA   TYR   7           HA       TYR   7  -9.882   6.214   9.639
   47   1HB   TYR   7          1HB       TYR   7  -7.616   7.431  10.613
   48   2HB   TYR   7          2HB       TYR   7  -7.584   8.030   8.970
   49    HD1  TYR   7           HD1      TYR   7  -8.663  10.112   8.649
   50    HD2  TYR   7           HD2      TYR   7 -10.076   7.477  11.769
   51    HE1  TYR   7           HE1      TYR   7 -10.320  11.838   9.387
   52    HE2  TYR   7           HE2      TYR   7 -11.702   9.184  12.495
   53    HH   TYR   7           HH       TYR   7 -12.208  11.453  12.342
   54    HA   PRO   8           HA       PRO   8  -9.725   6.043   5.133
   55   1HB   PRO   8          1HB       PRO   8 -11.658   7.901   4.453
   56   2HB   PRO   8          2HB       PRO   8 -12.007   6.274   5.091
   57   1HG   PRO   8          1HG       PRO   8 -12.127   8.912   6.503
   58   2HG   PRO   8          2HG       PRO   8 -13.107   7.437   6.760
   59   1HD   PRO   8          1HD       PRO   8 -10.874   8.294   8.251
   60   2HD   PRO   8          2HD       PRO   8 -11.633   6.685   8.352
   61    H    GLY   9           H        GLY   9  -9.667   7.717   3.211
   62   1HA   GLY   9          1HA       GLY   9  -8.750   9.638   2.231
   63   2HA   GLY   9          2HA       GLY   9  -8.076  10.142   3.782
   64    H    ASP  10           H        ASP  10  -7.255   9.098   0.784
   65    HA   ASP  10           HA       ASP  10  -4.932   7.479   1.492
   66   1HB   ASP  10          1HB       ASP  10  -5.767   8.423  -1.270
   67   2HB   ASP  10          2HB       ASP  10  -4.754   7.052  -0.824
   68    H    ASN  11           H        ASN  11  -3.650   9.004   2.637
   69    HA   ASN  11           HA       ASN  11  -1.844  10.502   0.995
   70   1HB   ASN  11          1HB       ASN  11  -4.106  11.998   1.474
   71   2HB   ASN  11          2HB       ASN  11  -3.162  12.445   2.873
   72   1HD2  ASN  11          1HD2      ASN  11  -2.508  14.566   2.296
   73   2HD2  ASN  11          2HD2      ASN  11  -1.657  14.826   0.761
   74    H    ALA  12           H        ALA  12  -0.157   9.433   2.013
   75    HA   ALA  12           HA       ALA  12   0.645  10.478   4.560
   76   1HB   ALA  12          1HB       ALA  12  -0.933   8.501   5.134
   77   2HB   ALA  12          2HB       ALA  12   0.309   7.454   4.429
   78   3HB   ALA  12          3HB       ALA  12   0.685   8.467   5.847
   79    H    THR  13           H        THR  13   2.784   9.192   5.185
   80    HA   THR  13           HA       THR  13   4.739   9.653   3.260
   81    HB   THR  13           HB       THR  13   6.189   8.254   4.751
   82    HG1  THR  13           HG1      THR  13   5.288   7.127   6.370
   83   1HG2  THR  13          1HG2      THR  13   5.637  10.652   5.341
   84   2HG2  THR  13          2HG2      THR  13   4.344  10.035   6.398
   85   3HG2  THR  13          3HG2      THR  13   6.035   9.618   6.727
   86    HA   PRO  14           HA       PRO  14   4.573   6.180   0.556
   87   1HB   PRO  14          1HB       PRO  14   7.192   5.947  -0.294
   88   2HB   PRO  14          2HB       PRO  14   6.052   7.211  -0.830
   89   1HG   PRO  14          1HG       PRO  14   8.308   7.429   1.123
   90   2HG   PRO  14          2HG       PRO  14   7.632   8.666   0.021
   91   1HD   PRO  14          1HD       PRO  14   7.107   8.393   2.778
   92   2HD   PRO  14          2HD       PRO  14   6.170   9.387   1.627
   93    H    GLU  15           H        GLU  15   6.166   5.978   3.528
   94    HA   GLU  15           HA       GLU  15   6.746   3.083   3.327
   95   1HB   GLU  15          1HB       GLU  15   7.675   3.267   5.494
   96   2HB   GLU  15          2HB       GLU  15   8.313   4.594   4.525
   97   1HG   GLU  15          1HG       GLU  15   6.941   6.216   5.606
   98   2HG   GLU  15          2HG       GLU  15   5.934   5.005   6.392
   99    H    GLN  16           H        GLN  16   4.088   5.172   4.223
  100    HA   GLN  16           HA       GLN  16   2.890   3.122   6.003
  101   1HB   GLN  16          1HB       GLN  16   2.896   5.695   6.452
  102   2HB   GLN  16          2HB       GLN  16   1.674   5.782   5.197
  103   1HG   GLN  16          1HG       GLN  16   0.265   5.499   6.972
  104   2HG   GLN  16          2HG       GLN  16   0.569   3.788   6.683
  105   1HE2  GLN  16          1HE2      GLN  16  -0.249   4.888   9.264
  106   2HE2  GLN  16          2HE2      GLN  16   1.184   4.720  10.293
  107    H    MET  17           H        MET  17   2.080   4.988   3.034
  108    HA   MET  17           HA       MET  17  -0.280   3.491   2.426
  109   1HB   MET  17          1HB       MET  17   0.596   5.793   1.542
  110   2HB   MET  17          2HB       MET  17   1.419   4.843   0.306
  111   1HG   MET  17          1HG       MET  17  -1.496   4.241   0.757
  112   2HG   MET  17          2HG       MET  17  -1.103   5.837   0.138
  113   1HE   MET  17          1HE       MET  17  -2.929   4.182  -2.177
  114   2HE   MET  17          2HE       MET  17  -2.390   5.794  -1.659
  115   3HE   MET  17          3HE       MET  17  -1.904   5.170  -3.244
  116    H    ALA  18           H        ALA  18   3.079   2.735   1.958
  117    HA   ALA  18           HA       ALA  18   2.963   0.741  -0.049
  118   1HB   ALA  18          1HB       ALA  18   5.030  -0.111   1.118
  119   2HB   ALA  18          2HB       ALA  18   5.066   1.613   0.722
  120   3HB   ALA  18          3HB       ALA  18   4.752   1.093   2.396
  121    H    GLN  19           H        GLN  19   1.968   0.597   3.376
  122    HA   GLN  19           HA       GLN  19   1.723  -2.303   3.457
  123   1HB   GLN  19          1HB       GLN  19   1.522  -0.055   5.285
  124   2HB   GLN  19          2HB       GLN  19   0.065  -1.015   5.444
  125   1HG   GLN  19          1HG       GLN  19   2.733  -2.446   5.418
  126   2HG   GLN  19          2HG       GLN  19   2.309  -1.486   6.827
  127   1HE2  GLN  19          1HE2      GLN  19   1.128  -2.525   8.439
  128   2HE2  GLN  19          2HE2      GLN  19   0.207  -3.990   8.089
  129    H    TYR  20           H        TYR  20  -0.708   0.338   3.341
  130    HA   TYR  20           HA       TYR  20  -2.982  -1.246   2.786
  131   1HB   TYR  20          1HB       TYR  20  -2.202   1.631   2.364
  132   2HB   TYR  20          2HB       TYR  20  -3.608   1.043   1.502
  133    HD1  TYR  20           HD1      TYR  20  -5.372  -0.329   2.892
  134    HD2  TYR  20           HD2      TYR  20  -2.576   2.510   4.552
  135    HE1  TYR  20           HE1      TYR  20  -6.897   0.050   4.835
  136    HE2  TYR  20           HE2      TYR  20  -4.101   2.884   6.474
  137    HH   TYR  20           HH       TYR  20  -6.006   2.130   7.549
  138    H    ALA  21           H        ALA  21  -0.712   0.269   0.407
  139    HA   ALA  21           HA       ALA  21  -2.044  -0.665  -1.926
  140   1HB   ALA  21          1HB       ALA  21   0.851   0.030  -1.306
  141   2HB   ALA  21          2HB       ALA  21   0.289  -0.397  -2.938
  142   3HB   ALA  21          3HB       ALA  21  -0.378   1.030  -2.114
  143    H    ALA  22           H        ALA  22   0.476  -2.289   0.101
  144    HA   ALA  22           HA       ALA  22   0.659  -4.664  -1.477
  145   1HB   ALA  22          1HB       ALA  22   1.645  -3.734   1.108
  146   2HB   ALA  22          2HB       ALA  22   1.042  -5.372   1.247
  147   3HB   ALA  22          3HB       ALA  22   2.284  -4.993   0.039
  148    H    GLU  23           H        GLU  23  -1.766  -3.602   0.879
  149    HA   GLU  23           HA       GLU  23  -3.115  -6.140   1.076
  150   1HB   GLU  23          1HB       GLU  23  -3.284  -4.037   2.628
  151   2HB   GLU  23          2HB       GLU  23  -4.511  -3.502   1.480
  152   1HG   GLU  23          1HG       GLU  23  -6.013  -4.763   2.548
  153   2HG   GLU  23          2HG       GLU  23  -5.192  -6.197   1.958
  154    H    LEU  24           H        LEU  24  -3.637  -3.201  -0.937
  155    HA   LEU  24           HA       LEU  24  -5.969  -4.023  -2.257
  156   1HB   LEU  24          1HB       LEU  24  -4.416  -1.787  -2.420
  157   2HB   LEU  24          2HB       LEU  24  -3.940  -2.578  -3.918
  158   1HD1  LEU  24          1HD1      LEU  24  -6.521  -0.400  -2.473
  159   2HD1  LEU  24          2HD1      LEU  24  -7.929  -1.181  -3.227
  160   3HD1  LEU  24          3HD1      LEU  24  -7.053  -1.999  -1.924
  161   1HD2  LEU  24          1HD2      LEU  24  -6.484  -0.222  -4.991
  162   2HD2  LEU  24          2HD2      LEU  24  -4.752  -0.557  -4.828
  163   3HD2  LEU  24          3HD2      LEU  24  -5.750  -1.536  -5.919
  164   1HG   LEU  24          1HG       LEU  24  -6.567  -2.854  -4.271
  165    H    ARG  25           H        ARG  25  -2.615  -4.720  -3.207
  166    HA   ARG  25           HA       ARG  25  -3.024  -6.314  -5.517
  167   1HB   ARG  25          1HB       ARG  25  -0.826  -5.712  -4.909
  168   2HB   ARG  25          2HB       ARG  25  -0.962  -6.379  -3.290
  169   1HG   ARG  25          1HG       ARG  25  -1.151  -8.232  -5.682
  170   2HG   ARG  25          2HG       ARG  25   0.416  -7.635  -5.157
  171   1HD   ARG  25          1HD       ARG  25   0.100  -8.528  -2.902
  172   2HD   ARG  25          2HD       ARG  25  -1.503  -9.111  -3.292
  173    HE   ARG  25           HNE      ARG  25   0.996 -10.348  -4.010
  174   1HH1  ARG  25          2HH2      ARG  25  -2.432 -10.197  -4.967
  175   2HH1  ARG  25          1HH2      ARG  25  -2.377 -11.826  -5.588
  176   1HH2  ARG  25          2HH1      ARG  25   1.013 -12.300  -5.069
  177   2HH2  ARG  25          1HH1      ARG  25  -0.446 -12.944  -5.727
  178    H    ARG  26           H        ARG  26  -3.715  -7.167  -2.184
  179    HA   ARG  26           HA       ARG  26  -4.155 -10.041  -2.846
  180   1HB   ARG  26          1HB       ARG  26  -4.883  -8.937  -0.154
  181   2HB   ARG  26          2HB       ARG  26  -4.164 -10.482  -0.603
  182   1HG   ARG  26          1HG       ARG  26  -2.033  -8.999  -1.160
  183   2HG   ARG  26          2HG       ARG  26  -2.888  -7.789  -0.217
  184   1HD   ARG  26          1HD       ARG  26  -1.428  -8.808   1.311
  185   2HD   ARG  26          2HD       ARG  26  -3.013  -9.489   1.673
  186    HE   ARG  26           HNE      ARG  26  -2.293 -11.573   0.910
  187   1HH1  ARG  26          2HH2      ARG  26   0.073  -9.215  -0.045
  188   2HH1  ARG  26          1HH2      ARG  26   1.207 -10.344  -0.704
  189   1HH2  ARG  26          2HH1      ARG  26  -0.924 -13.085   0.027
  190   2HH2  ARG  26          1HH1      ARG  26   0.562 -12.614  -0.706
  191    H    TYR  27           H        TYR  27  -5.891  -7.138  -1.838
  192    HA   TYR  27           HA       TYR  27  -8.505  -8.147  -1.748
  193   1HB   TYR  27          1HB       TYR  27  -7.426  -5.819  -1.132
  194   2HB   TYR  27          2HB       TYR  27  -7.891  -5.371  -2.766
  195    HD1  TYR  27           HD1      TYR  27  -9.048  -6.350   0.595
  196    HD2  TYR  27           HD2      TYR  27 -10.280  -5.155  -3.360
  197    HE1  TYR  27           HE1      TYR  27 -11.352  -5.930   1.447
  198    HE2  TYR  27           HE2      TYR  27 -12.583  -4.690  -2.490
  199    HH   TYR  27           HH       TYR  27 -13.633  -5.805   0.559
  200    H    ILE  28           H        ILE  28  -6.649  -7.011  -4.549
  201    HA   ILE  28           HA       ILE  28  -8.624  -7.258  -6.581
  202    HB   ILE  28           HB       ILE  28  -5.611  -7.556  -6.508
  203   1HG1  ILE  28          1HG1      ILE  28  -7.242  -5.358  -7.850
  204   2HG1  ILE  28          2HG1      ILE  28  -6.958  -5.300  -6.130
  205   1HG2  ILE  28          1HG2      ILE  28  -5.636  -7.285  -9.015
  206   2HG2  ILE  28          2HG2      ILE  28  -6.249  -8.850  -8.458
  207   3HG2  ILE  28          3HG2      ILE  28  -7.386  -7.603  -8.974
  208   1HD1  ILE  28          1HD1      ILE  28  -4.393  -5.784  -7.306
  209   2HD1  ILE  28          2HD1      ILE  28  -5.179  -4.487  -8.226
  210   3HD1  ILE  28          3HD1      ILE  28  -4.979  -4.335  -6.473
  211    H    ASN  29           H        ASN  29  -7.010  -9.824  -4.775
  212    HA   ASN  29           HA       ASN  29  -7.982 -11.904  -6.650
  213   1HB   ASN  29          1HB       ASN  29  -5.706 -12.001  -5.524
  214   2HB   ASN  29          2HB       ASN  29  -6.549 -12.223  -3.984
  215   1HD2  ASN  29          1HD2      ASN  29  -5.504 -14.335  -3.711
  216   2HD2  ASN  29          2HD2      ASN  29  -6.174 -15.650  -4.677
  217    H    MET  30           H        MET  30  -8.583 -10.684  -3.317
  218    HA   MET  30           HA       MET  30 -10.640 -12.561  -2.674
  219   1HB   MET  30          1HB       MET  30 -10.899 -11.436  -0.710
  220   2HB   MET  30          2HB       MET  30  -9.303 -10.870  -1.173
  221   1HG   MET  30          1HG       MET  30 -10.161  -8.851  -0.659
  222   2HG   MET  30          2HG       MET  30 -10.802  -8.901  -2.284
  223   1HE   MET  30          1HE       MET  30 -13.796  -8.715  -2.611
  224   2HE   MET  30          2HE       MET  30 -13.953  -7.397  -1.432
  225   3HE   MET  30          3HE       MET  30 -12.482  -7.535  -2.414
  226    H    LEU  31           H        LEU  31 -10.774  -9.804  -4.723
  227    HA   LEU  31           HA       LEU  31 -13.732  -9.764  -4.800
  228   1HB   LEU  31          1HB       LEU  31 -12.400  -7.713  -4.642
  229   2HB   LEU  31          2HB       LEU  31 -11.605  -8.043  -6.163
  230   1HD1  LEU  31          1HD1      LEU  31 -12.777  -5.499  -5.983
  231   2HD1  LEU  31          2HD1      LEU  31 -14.484  -5.436  -6.490
  232   3HD1  LEU  31          3HD1      LEU  31 -14.072  -5.926  -4.834
  233   1HD2  LEU  31          1HD2      LEU  31 -13.201  -6.462  -8.237
  234   2HD2  LEU  31          2HD2      LEU  31 -12.759  -8.155  -8.117
  235   3HD2  LEU  31          3HD2      LEU  31 -14.457  -7.732  -8.310
  236   1HG   LEU  31          1HG       LEU  31 -14.633  -7.898  -6.078
  237    H    THR  32           H        THR  32 -11.331 -11.642  -6.263
  238    HA   THR  32           HA       THR  32 -11.174 -12.919  -8.111
  239    HB   THR  32           HB       THR  32 -14.201 -12.773  -8.312
  240    HG1  THR  32           HG1      THR  32 -13.188 -13.190  -6.180
  241   1HG2  THR  32          1HG2      THR  32 -13.370 -14.180 -10.085
  242   2HG2  THR  32          2HG2      THR  32 -12.150 -14.917  -9.014
  243   3HG2  THR  32          3HG2      THR  32 -13.875 -15.266  -8.787
  244    H    ARG  33           H        ARG  33 -11.196  -9.919  -8.430
  245    HA   ARG  33           HA       ARG  33 -11.056  -9.770 -11.280
  246   1HB   ARG  33          1HB       ARG  33 -13.649  -9.205 -10.093
  247   2HB   ARG  33          2HB       ARG  33 -12.947  -7.672 -10.579
  248   1HG   ARG  33          1HG       ARG  33 -12.483  -9.169 -12.841
  249   2HG   ARG  33          2HG       ARG  33 -13.900  -9.985 -12.224
  250   1HD   ARG  33          1HD       ARG  33 -14.183  -7.016 -12.148
  251   2HD   ARG  33          2HD       ARG  33 -13.778  -7.607 -13.744
  252    HE   ARG  33           HNE      ARG  33 -15.861  -8.498 -13.960
  253   1HH1  ARG  33          2HH2      ARG  33 -15.447  -7.884 -10.543
  254   2HH1  ARG  33          1HH2      ARG  33 -17.105  -8.275 -10.153
  255   1HH2  ARG  33          2HH1      ARG  33 -17.962  -9.058 -13.413
  256   2HH2  ARG  33          1HH1      ARG  33 -18.470  -8.960 -11.754
  257    HA   PRO  34           HA       PRO  34  -8.579  -6.242 -10.070
  258   1HB   PRO  34          1HB       PRO  34  -8.542  -4.714 -12.367
  259   2HB   PRO  34          2HB       PRO  34  -7.660  -6.251 -12.165
  260   1HG   PRO  34          1HG       PRO  34 -10.168  -5.714 -13.700
  261   2HG   PRO  34          2HG       PRO  34  -8.899  -6.947 -13.977
  262   1HD   PRO  34          1HD       PRO  34 -11.412  -7.250 -12.670
  263   2HD   PRO  34          2HD       PRO  34 -10.113  -8.480 -12.794
  264    H    ARG  35           H        ARG  35  -8.600  -3.730 -10.320
  265    HA   ARG  35           HA       ARG  35 -11.302  -2.593  -9.872
  266   1HB   ARG  35          1HB       ARG  35 -10.276  -3.107  -7.665
  267   2HB   ARG  35          2HB       ARG  35  -8.838  -2.205  -8.121
  268   1HG   ARG  35          1HG       ARG  35  -9.769  -0.423  -7.139
  269   2HG   ARG  35          2HG       ARG  35 -10.854  -0.297  -8.515
  270   1HD   ARG  35          1HD       ARG  35 -11.407  -1.886  -5.988
  271   2HD   ARG  35          2HD       ARG  35 -12.006  -0.251  -6.310
  272    HE   ARG  35           HNE      ARG  35 -12.940  -1.596  -8.482
  273   1HH1  ARG  35          2HH2      ARG  35 -13.229  -2.302  -5.084
  274   2HH1  ARG  35          1HH2      ARG  35 -14.762  -3.114  -5.255
  275   1HH2  ARG  35          2HH1      ARG  35 -14.917  -2.695  -8.694
  276   2HH2  ARG  35          1HH1      ARG  35 -15.700  -3.284  -7.276
  277    H    TYR  36           H        TYR  36 -11.539  -1.082 -11.373
  278    HA   TYR  36           HA       TYR  36  -9.857   0.203 -13.060
  279   1HB   TYR  36          1HB       TYR  36 -12.157   1.536 -11.572
  280   2HB   TYR  36          2HB       TYR  36 -11.532   1.984 -13.149
  281    HD1  TYR  36           HD1      TYR  36 -13.719  -0.304 -11.280
  282    HD2  TYR  36           HD2      TYR  36 -12.009   0.576 -15.141
  283    HE1  TYR  36           HE1      TYR  36 -15.385  -1.816 -12.372
  284    HE2  TYR  36           HE2      TYR  36 -13.700  -0.890 -16.225
  285    HH   TYR  36           HH       TYR  36 -15.307  -2.457 -15.862
  286   1HN   NH2  37          1HN       NH2  37 -10.582   1.512  -9.717
  287   2HN   NH2  37          2HN       NH2  37  -9.115   2.495  -9.733
  Start of MODEL   20
    1   1H    ALA   1          1H        ALA   1 -14.633   5.330  24.560
    2   2H    ALA   1          2H        ALA   1 -12.993   5.455  24.426
    3   3H    ALA   1          3H        ALA   1 -13.906   6.796  24.761
    4    HA   ALA   1           HA       ALA   1 -14.087   5.222  22.312
    5   1HB   ALA   1          1HB       ALA   1 -15.965   6.307  21.881
    6   2HB   ALA   1          2HB       ALA   1 -15.819   7.307  23.341
    7   3HB   ALA   1          3HB       ALA   1 -15.074   7.825  21.815
    8    HA   PRO   2           HA       PRO   2 -11.206   8.667  20.923
    9   1HB   PRO   2          1HB       PRO   2 -10.308  10.633  22.647
   10   2HB   PRO   2          2HB       PRO   2 -11.763  10.796  21.622
   11   1HG   PRO   2          1HG       PRO   2 -11.573  10.255  24.561
   12   2HG   PRO   2          2HG       PRO   2 -12.857  11.096  23.645
   13   1HD   PRO   2          1HD       PRO   2 -12.884   8.430  24.577
   14   2HD   PRO   2          2HD       PRO   2 -14.029   9.146  23.404
   15    H    LEU   3           H        LEU   3  -9.434   7.553  20.727
   16    HA   LEU   3           HA       LEU   3  -7.199   7.647  22.460
   17   1HB   LEU   3          1HB       LEU   3  -9.060   5.533  23.215
   18   2HB   LEU   3          2HB       LEU   3  -7.699   4.785  22.445
   19   1HD1  LEU   3          1HD1      LEU   3  -8.998   5.824  25.456
   20   2HD1  LEU   3          2HD1      LEU   3  -7.517   6.034  26.412
   21   3HD1  LEU   3          3HD1      LEU   3  -8.121   7.367  25.431
   22   1HD2  LEU   3          1HD2      LEU   3  -7.287   3.805  25.105
   23   2HD2  LEU   3          2HD2      LEU   3  -6.104   3.987  23.790
   24   3HD2  LEU   3          3HD2      LEU   3  -5.741   4.648  25.384
   25   1HG   LEU   3          1HG       LEU   3  -6.357   6.512  24.122
   26    H    GLU   4           H        GLU   4  -8.943   6.110  19.761
   27    HA   GLU   4           HA       GLU   4  -6.654   4.833  18.631
   28   1HB   GLU   4          1HB       GLU   4  -8.005   4.549  16.654
   29   2HB   GLU   4          2HB       GLU   4  -8.950   4.181  18.075
   30   1HG   GLU   4          1HG       GLU   4  -9.162   6.986  16.967
   31   2HG   GLU   4          2HG       GLU   4  -9.847   5.681  16.013
   32    HA   PRO   5           HA       PRO   5  -4.684   8.299  16.630
   33   1HB   PRO   5          1HB       PRO   5  -3.522   7.071  14.413
   34   2HB   PRO   5          2HB       PRO   5  -2.885   7.029  16.079
   35   1HG   PRO   5          1HG       PRO   5  -4.288   4.884  14.557
   36   2HG   PRO   5          2HG       PRO   5  -3.122   4.752  15.907
   37   1HD   PRO   5          1HD       PRO   5  -5.947   4.524  16.035
   38   2HD   PRO   5          2HD       PRO   5  -4.822   4.627  17.421
   39    H    GLU   6           H        GLU   6  -4.502   9.351  14.313
   40    HA   GLU   6           HA       GLU   6  -7.225   9.612  13.297
   41   1HB   GLU   6          1HB       GLU   6  -5.361  11.442  13.627
   42   2HB   GLU   6          2HB       GLU   6  -4.815  10.930  12.026
   43   1HG   GLU   6          1HG       GLU   6  -6.938  11.531  11.031
   44   2HG   GLU   6          2HG       GLU   6  -7.718  11.672  12.605
   45    H    TYR   7           H        TYR   7  -7.691   9.529  10.968
   46    HA   TYR   7           HA       TYR   7  -6.263   7.374   9.482
   47   1HB   TYR   7          1HB       TYR   7  -9.217   7.496  10.141
   48   2HB   TYR   7          2HB       TYR   7  -8.549   6.524   8.841
   49    HD1  TYR   7           HD1      TYR   7  -8.289   7.036  12.568
   50    HD2  TYR   7           HD2      TYR   7  -7.787   4.325   9.253
   51    HE1  TYR   7           HE1      TYR   7  -7.779   5.206  14.150
   52    HE2  TYR   7           HE2      TYR   7  -7.326   2.470  10.859
   53    HH   TYR   7           HH       TYR   7  -8.009   2.116  13.583
   54    HA   PRO   8           HA       PRO   8  -7.087  10.998   6.738
   55   1HB   PRO   8          1HB       PRO   8  -4.609  10.983   5.477
   56   2HB   PRO   8          2HB       PRO   8  -5.006  11.897   6.954
   57   1HG   PRO   8          1HG       PRO   8  -3.418   9.386   6.680
   58   2HG   PRO   8          2HG       PRO   8  -3.321  10.669   7.922
   59   1HD   PRO   8          1HD       PRO   8  -4.622   8.147   8.138
   60   2HD   PRO   8          2HD       PRO   8  -4.734   9.506   9.293
   61    H    GLY   9           H        GLY   9  -6.614  10.968   4.197
   62   1HA   GLY   9          1HA       GLY   9  -7.980   8.638   3.133
   63   2HA   GLY   9          2HA       GLY   9  -7.365  10.014   2.214
   64    H    ASP  10           H        ASP  10  -5.636   9.662   0.929
   65    HA   ASP  10           HA       ASP  10  -3.827   7.349   1.420
   66   1HB   ASP  10          1HB       ASP  10  -3.957   6.952  -1.083
   67   2HB   ASP  10          2HB       ASP  10  -5.321   6.452  -0.102
   68    H    ASN  11           H        ASN  11  -2.523   9.149   2.338
   69    HA   ASN  11           HA       ASN  11  -0.555   9.922   0.373
   70   1HB   ASN  11          1HB       ASN  11  -2.542  11.702   0.293
   71   2HB   ASN  11          2HB       ASN  11  -1.768  12.344   1.730
   72   1HD2  ASN  11          1HD2      ASN  11  -0.309  13.994   1.191
   73   2HD2  ASN  11          2HD2      ASN  11   0.565  14.001  -0.344
   74    H    ALA  12           H        ALA  12   1.012   8.926   1.638
   75    HA   ALA  12           HA       ALA  12   1.970  10.443   3.894
   76   1HB   ALA  12          1HB       ALA  12   1.197   7.531   4.394
   77   2HB   ALA  12          2HB       ALA  12   1.866   8.688   5.570
   78   3HB   ALA  12          3HB       ALA  12   0.232   8.915   4.944
   79    H    THR  13           H        THR  13   3.865   8.888   4.883
   80    HA   THR  13           HA       THR  13   5.975   8.835   3.079
   81    HB   THR  13           HB       THR  13   7.042   7.360   4.848
   82    HG1  THR  13           HG1      THR  13   5.823   6.895   6.632
   83   1HG2  THR  13          1HG2      THR  13   6.951   9.907   5.046
   84   2HG2  THR  13          2HG2      THR  13   5.531   9.694   6.095
   85   3HG2  THR  13          3HG2      THR  13   7.100   9.020   6.575
   86    HA   PRO  14           HA       PRO  14   5.381   5.177   0.714
   87   1HB   PRO  14          1HB       PRO  14   7.958   4.470   0.023
   88   2HB   PRO  14          2HB       PRO  14   7.061   5.848  -0.672
   89   1HG   PRO  14          1HG       PRO  14   9.225   5.865   1.404
   90   2HG   PRO  14          2HG       PRO  14   8.842   7.084   0.152
   91   1HD   PRO  14          1HD       PRO  14   8.126   7.198   2.873
   92   2HD   PRO  14          2HD       PRO  14   7.413   8.190   1.567
   93    H    GLU  15           H        GLU  15   6.777   5.008   3.779
   94    HA   GLU  15           HA       GLU  15   6.934   2.060   3.868
   95   1HB   GLU  15          1HB       GLU  15   7.827   2.391   6.083
   96   2HB   GLU  15          2HB       GLU  15   8.614   3.533   4.992
   97   1HG   GLU  15          1HG       GLU  15   6.633   5.136   5.776
   98   2HG   GLU  15          2HG       GLU  15   6.545   4.048   7.149
   99    H    GLN  16           H        GLN  16   4.542   4.542   4.329
  100    HA   GLN  16           HA       GLN  16   2.951   2.829   6.166
  101   1HB   GLN  16          1HB       GLN  16   3.443   5.343   6.539
  102   2HB   GLN  16          2HB       GLN  16   2.242   5.651   5.287
  103   1HG   GLN  16          1HG       GLN  16   0.474   4.819   6.609
  104   2HG   GLN  16          2HG       GLN  16   1.539   3.793   7.576
  105   1HE2  GLN  16          1HE2      GLN  16   2.931   4.781   9.242
  106   2HE2  GLN  16          2HE2      GLN  16   2.442   6.359   9.855
  107    H    MET  17           H        MET  17   2.515   4.720   3.133
  108    HA   MET  17           HA       MET  17   0.027   3.454   2.471
  109   1HB   MET  17          1HB       MET  17   1.445   5.627   1.512
  110   2HB   MET  17          2HB       MET  17   1.674   4.474   0.201
  111   1HG   MET  17          1HG       MET  17  -1.110   4.750   1.299
  112   2HG   MET  17          2HG       MET  17  -0.466   6.138   0.445
  113   1HE   MET  17          1HE       MET  17  -3.108   4.822  -0.580
  114   2HE   MET  17          2HE       MET  17  -2.947   3.373  -1.601
  115   3HE   MET  17          3HE       MET  17  -2.618   3.276   0.142
  116    H    ALA  18           H        ALA  18   3.337   2.409   2.020
  117    HA   ALA  18           HA       ALA  18   3.096   0.405   0.065
  118   1HB   ALA  18          1HB       ALA  18   5.243   0.858   0.850
  119   2HB   ALA  18          2HB       ALA  18   4.787   0.704   2.570
  120   3HB   ALA  18          3HB       ALA  18   4.910  -0.730   1.529
  121    H    GLN  19           H        GLN  19   2.008   0.335   3.472
  122    HA   GLN  19           HA       GLN  19   1.397  -2.482   3.527
  123   1HB   GLN  19          1HB       GLN  19   1.266  -0.209   5.310
  124   2HB   GLN  19          2HB       GLN  19  -0.315  -0.961   5.310
  125   1HG   GLN  19          1HG       GLN  19   2.137  -2.725   5.601
  126   2HG   GLN  19          2HG       GLN  19   1.660  -1.701   6.950
  127   1HE2  GLN  19          1HE2      GLN  19   1.052  -4.786   5.522
  128   2HE2  GLN  19          2HE2      GLN  19  -0.514  -4.989   6.324
  129    H    TYR  20           H        TYR  20  -0.725   0.382   3.077
  130    HA   TYR  20           HA       TYR  20  -3.104  -1.007   2.390
  131   1HB   TYR  20          1HB       TYR  20  -2.028   1.770   2.007
  132   2HB   TYR  20          2HB       TYR  20  -3.361   1.286   0.978
  133    HD1  TYR  20           HD1      TYR  20  -2.480   2.411   4.295
  134    HD2  TYR  20           HD2      TYR  20  -5.504   0.420   1.951
  135    HE1  TYR  20           HE1      TYR  20  -4.201   2.978   6.017
  136    HE2  TYR  20           HE2      TYR  20  -7.217   0.990   3.676
  137    HH   TYR  20           HH       TYR  20  -6.940   1.557   6.446
  138    H    ALA  21           H        ALA  21  -0.519   0.239   0.212
  139    HA   ALA  21           HA       ALA  21  -1.730  -0.583  -2.227
  140   1HB   ALA  21          1HB       ALA  21   1.119  -0.838  -2.468
  141   2HB   ALA  21          2HB       ALA  21   0.078   0.498  -2.989
  142   3HB   ALA  21          3HB       ALA  21   0.812   0.519  -1.382
  143    H    ALA  22           H        ALA  22   0.586  -2.384  -0.095
  144    HA   ALA  22           HA       ALA  22   0.508  -4.787  -1.623
  145   1HB   ALA  22          1HB       ALA  22   2.132  -4.053   0.285
  146   2HB   ALA  22          2HB       ALA  22   0.905  -4.732   1.378
  147   3HB   ALA  22          3HB       ALA  22   1.683  -5.756   0.150
  148    H    GLU  23           H        GLU  23  -1.689  -3.523   0.876
  149    HA   GLU  23           HA       GLU  23  -3.276  -5.861   1.225
  150   1HB   GLU  23          1HB       GLU  23  -3.205  -3.453   2.479
  151   2HB   GLU  23          2HB       GLU  23  -4.591  -3.180   1.434
  152   1HG   GLU  23          1HG       GLU  23  -5.694  -4.121   3.196
  153   2HG   GLU  23          2HG       GLU  23  -5.312  -5.609   2.336
  154    H    LEU  24           H        LEU  24  -3.773  -3.007  -0.923
  155    HA   LEU  24           HA       LEU  24  -6.159  -3.825  -2.184
  156   1HB   LEU  24          1HB       LEU  24  -5.428  -1.622  -2.537
  157   2HB   LEU  24          2HB       LEU  24  -3.850  -2.113  -3.123
  158    HG   LEU  24           HG       LEU  24  -6.039  -3.218  -4.793
  159   1HD1  LEU  24          1HD1      LEU  24  -7.025  -0.973  -4.051
  160   2HD1  LEU  24          2HD1      LEU  24  -5.773  -0.249  -5.088
  161   3HD1  LEU  24          3HD1      LEU  24  -6.961  -1.382  -5.769
  162   1HD2  LEU  24          1HD2      LEU  24  -3.658  -1.426  -5.425
  163   2HD2  LEU  24          2HD2      LEU  24  -3.627  -3.197  -5.422
  164   3HD2  LEU  24          3HD2      LEU  24  -4.627  -2.327  -6.600
  165    H    ARG  25           H        ARG  25  -2.797  -4.633  -3.142
  166    HA   ARG  25           HA       ARG  25  -3.307  -6.256  -5.389
  167   1HB   ARG  25          1HB       ARG  25  -1.052  -5.823  -4.749
  168   2HB   ARG  25          2HB       ARG  25  -1.272  -6.529  -3.146
  169   1HG   ARG  25          1HG       ARG  25  -1.539  -8.782  -4.108
  170   2HG   ARG  25          2HG       ARG  25  -1.467  -8.093  -5.737
  171   1HD   ARG  25          1HD       ARG  25   0.903  -7.192  -4.847
  172   2HD   ARG  25          2HD       ARG  25   0.704  -8.495  -3.676
  173    HE   ARG  25           HNE      ARG  25   0.913 -10.093  -5.390
  174   1HH1  ARG  25          2HH2      ARG  25   0.650  -6.921  -6.848
  175   2HH1  ARG  25          1HH2      ARG  25   0.944  -7.489  -8.465
  176   1HH2  ARG  25          2HH1      ARG  25   1.233 -10.822  -7.515
  177   2HH2  ARG  25          1HH1      ARG  25   1.162  -9.664  -8.817
  178    H    ARG  26           H        ARG  26  -3.693  -7.129  -1.996
  179    HA   ARG  26           HA       ARG  26  -4.440  -9.908  -2.541
  180   1HB   ARG  26          1HB       ARG  26  -5.184  -8.610   0.077
  181   2HB   ARG  26          2HB       ARG  26  -4.571 -10.231  -0.270
  182   1HG   ARG  26          1HG       ARG  26  -2.353  -8.951  -0.921
  183   2HG   ARG  26          2HG       ARG  26  -3.114  -7.620  -0.049
  184   1HD   ARG  26          1HD       ARG  26  -2.454  -8.386   1.911
  185   2HD   ARG  26          2HD       ARG  26  -3.227  -9.954   1.611
  186    HE   ARG  26           HNE      ARG  26  -0.773  -9.699   0.124
  187   1HH1  ARG  26          2HH2      ARG  26  -1.759 -10.205   3.436
  188   2HH1  ARG  26          1HH2      ARG  26  -0.465 -11.314   3.782
  189   1HH2  ARG  26          2HH1      ARG  26   0.959 -11.053   0.617
  190   2HH2  ARG  26          1HH1      ARG  26   0.999 -11.878   2.134
  191    H    TYR  27           H        TYR  27  -6.134  -6.928  -1.621
  192    HA   TYR  27           HA       TYR  27  -8.777  -7.783  -1.537
  193   1HB   TYR  27          1HB       TYR  27  -7.650  -5.421  -1.190
  194   2HB   TYR  27          2HB       TYR  27  -8.064  -5.170  -2.881
  195    HD1  TYR  27           HD1      TYR  27 -10.237  -4.333  -3.401
  196    HD2  TYR  27           HD2      TYR  27  -9.519  -6.253   0.395
  197    HE1  TYR  27           HE1      TYR  27 -12.539  -3.743  -2.667
  198    HE2  TYR  27           HE2      TYR  27 -11.826  -5.664   1.129
  199    HH   TYR  27           HH       TYR  27 -14.137  -3.998  -1.006
  200    H    ILE  28           H        ILE  28  -6.954  -6.820  -4.455
  201    HA   ILE  28           HA       ILE  28  -8.952  -7.187  -6.413
  202    HB   ILE  28           HB       ILE  28  -5.953  -7.594  -6.524
  203   1HG1  ILE  28          1HG1      ILE  28  -7.692  -5.274  -7.508
  204   2HG1  ILE  28          2HG1      ILE  28  -6.868  -5.275  -5.975
  205   1HG2  ILE  28          1HG2      ILE  28  -7.616  -7.097  -8.989
  206   2HG2  ILE  28          2HG2      ILE  28  -5.952  -7.656  -8.872
  207   3HG2  ILE  28          3HG2      ILE  28  -7.248  -8.761  -8.472
  208   1HD1  ILE  28          1HD1      ILE  28  -5.506  -5.426  -8.692
  209   2HD1  ILE  28          2HD1      ILE  28  -5.565  -4.045  -7.601
  210   3HD1  ILE  28          3HD1      ILE  28  -4.675  -5.507  -7.119
  211    H    ASN  29           H        ASN  29  -6.494  -9.639  -5.461
  212    HA   ASN  29           HA       ASN  29  -7.706 -11.773  -6.929
  213   1HB   ASN  29          1HB       ASN  29  -5.314 -11.576  -6.008
  214   2HB   ASN  29          2HB       ASN  29  -5.973 -12.056  -4.441
  215   1HD2  ASN  29          1HD2      ASN  29  -5.721 -14.292  -4.092
  216   2HD2  ASN  29          2HD2      ASN  29  -5.755 -15.438  -5.423
  217    H    MET  30           H        MET  30  -8.195 -10.608  -3.618
  218    HA   MET  30           HA       MET  30  -9.999 -12.650  -2.716
  219   1HB   MET  30          1HB       MET  30  -8.609 -10.851  -1.409
  220   2HB   MET  30          2HB       MET  30  -9.979  -9.788  -1.724
  221   1HG   MET  30          1HG       MET  30 -10.655 -10.638   0.285
  222   2HG   MET  30          2HG       MET  30 -11.311 -11.926  -0.720
  223   1HE   MET  30          1HE       MET  30  -8.678 -11.349   2.389
  224   2HE   MET  30          2HE       MET  30  -7.283 -11.926   1.441
  225   3HE   MET  30          3HE       MET  30  -8.240 -10.542   0.868
  226    H    LEU  31           H        LEU  31 -10.493 -10.166  -5.019
  227    HA   LEU  31           HA       LEU  31 -13.455 -10.412  -4.770
  228   1HB   LEU  31          1HB       LEU  31 -13.540  -8.207  -4.896
  229   2HB   LEU  31          2HB       LEU  31 -11.818  -8.136  -4.876
  230    HG   LEU  31           HG       LEU  31 -12.037  -8.470  -7.500
  231   1HD1  LEU  31          1HD1      LEU  31 -14.742  -8.413  -6.904
  232   2HD1  LEU  31          2HD1      LEU  31 -14.431  -6.727  -7.330
  233   3HD1  LEU  31          3HD1      LEU  31 -14.022  -8.034  -8.470
  234   1HD2  LEU  31          1HD2      LEU  31 -10.918  -6.586  -6.816
  235   2HD2  LEU  31          2HD2      LEU  31 -12.336  -5.858  -7.577
  236   3HD2  LEU  31          3HD2      LEU  31 -12.245  -5.995  -5.811
  237    H    THR  32           H        THR  32 -11.023 -11.950  -6.265
  238    HA   THR  32           HA       THR  32 -10.737 -13.124  -8.197
  239    HB   THR  32           HB       THR  32 -13.753 -12.919  -8.473
  240    HG1  THR  32           HG1      THR  32 -13.739 -14.776  -7.168
  241   1HG2  THR  32          1HG2      THR  32 -12.429 -15.529  -9.009
  242   2HG2  THR  32          2HG2      THR  32 -13.783 -14.718  -9.825
  243   3HG2  THR  32          3HG2      THR  32 -12.116 -14.297 -10.222
  244    H    ARG  33           H        ARG  33 -10.603 -10.177  -8.319
  245    HA   ARG  33           HA       ARG  33 -11.981  -8.836 -10.222
  246   1HB   ARG  33          1HB       ARG  33 -10.210  -7.969  -8.668
  247   2HB   ARG  33          2HB       ARG  33  -9.023  -8.491  -9.853
  248   1HG   ARG  33          1HG       ARG  33  -9.460  -6.780 -11.294
  249   2HG   ARG  33          2HG       ARG  33 -11.190  -6.748 -10.942
  250   1HD   ARG  33          1HD       ARG  33 -11.001  -5.217  -9.264
  251   2HD   ARG  33          2HD       ARG  33  -9.495  -5.879  -8.665
  252    HE   ARG  33           HNE      ARG  33  -8.295  -4.396  -9.923
  253   1HH1  ARG  33          2HH2      ARG  33 -11.571  -4.254 -11.099
  254   2HH1  ARG  33          1HH2      ARG  33 -11.250  -2.928 -12.193
  255   1HH2  ARG  33          2HH1      ARG  33  -7.942  -2.595 -11.218
  256   2HH2  ARG  33          1HH1      ARG  33  -9.243  -1.948 -12.153
  257    HA   PRO  34           HA       PRO  34 -10.678 -11.414 -13.682
  258   1HB   PRO  34          1HB       PRO  34 -12.813 -10.961 -15.382
  259   2HB   PRO  34          2HB       PRO  34 -12.791 -12.118 -14.025
  260   1HG   PRO  34          1HG       PRO  34 -14.116  -9.444 -14.173
  261   2HG   PRO  34          2HG       PRO  34 -14.555 -10.887 -13.209
  262   1HD   PRO  34          1HD       PRO  34 -13.175  -8.578 -12.296
  263   2HD   PRO  34          2HD       PRO  34 -13.364 -10.120 -11.426
  264    H    ARG  35           H        ARG  35  -8.877 -10.228 -14.123
  265    HA   ARG  35           HA       ARG  35  -9.039  -7.837 -15.845
  266   1HB   ARG  35          1HB       ARG  35  -6.750  -7.489 -15.382
  267   2HB   ARG  35          2HB       ARG  35  -7.488  -8.007 -13.882
  268   1HG   ARG  35          1HG       ARG  35  -5.569  -9.234 -13.804
  269   2HG   ARG  35          2HG       ARG  35  -6.604 -10.423 -14.593
  270   1HD   ARG  35          1HD       ARG  35  -5.604  -9.998 -16.739
  271   2HD   ARG  35          2HD       ARG  35  -4.882  -8.478 -16.188
  272    HE   ARG  35           HNE      ARG  35  -3.708 -10.309 -14.547
  273   1HH1  ARG  35          2HH2      ARG  35  -3.913 -10.119 -18.033
  274   2HH1  ARG  35          1HH2      ARG  35  -2.364 -10.861 -18.297
  275   1HH2  ARG  35          2HH1      ARG  35  -1.762 -11.347 -14.903
  276   2HH2  ARG  35          1HH1      ARG  35  -1.201 -11.593 -16.538
  277    H    TYR  36           H        TYR  36  -8.303  -7.675 -17.954
  278    HA   TYR  36           HA       TYR  36  -7.031  -9.923 -19.273
  279   1HB   TYR  36          1HB       TYR  36  -9.721 -10.173 -19.120
  280   2HB   TYR  36          2HB       TYR  36  -9.663  -9.088 -20.489
  281    HD1  TYR  36           HD1      TYR  36  -8.027 -12.219 -19.167
  282    HD2  TYR  36           HD2      TYR  36  -9.579 -10.139 -22.612
  283    HE1  TYR  36           HE1      TYR  36  -7.670 -14.255 -20.552
  284    HE2  TYR  36           HE2      TYR  36  -9.220 -12.183 -24.002
  285    HH   TYR  36           HH       TYR  36  -8.209 -15.276 -22.598
  286   1HN   NH2  37          1HN       NH2  37  -6.171  -9.287 -21.414
  287   2HN   NH2  37          2HN       NH2  37  -6.173  -7.557 -21.802