*HEADER    ANTIMICROBIAL PROTEIN                   12-MAY-05   1ZNT              
*TITLE     18 NMR STRUCTURES OF ACAMP2-LIKE PEPTIDE WITH NON NATURAL             
*TITLE    2 FLUOROAROMATIC RESIDUE (ACAMP2F18PFF/Y20PFF) COMPLEX WITH            
*TITLE    3 N,N,N-TRIACETYLCHITOTRIOSE                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIMICROBIAL PEPTIDE 2;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: AMP2, ACAMP2;                                               
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN AMARANTHUS             
*SOURCE   5 CAUDATUS (INCA-WHEAT). SEQUENCE PREPARED BY STANDARD SOLID           
*SOURCE   6 PHASE PEPTIDE SYNTHESIS PROTOCOLS USING FMOC CHEMISTRY.              
*SOURCE   7 PHE18 AND TYR20 HAVE BEEN MUTATED TO THE NON PROTEINOGENIC           
*SOURCE   8 AMINOACID 4-FLUOROPHENYALANINE.                                      
*KEYWDS    ALFA-HELIX, ANTI-PARALLEL BETA-SHEET                                  
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    M.I.CHAVEZ, C.ANDREU, P.VIDAL, N.ABOITIZ, F.FREIRE,                   
*AUTHOR   2 P.GROVES, J.L.ASENSIO, G.ASENSIO, M.MURAKI, F.J.CANADA,              
*AUTHOR   3 J.JIMENEZ-BARBERO                                                    
*REVDAT   1   06-DEC-05 1ZNT    0                                                

#AcAMP2F18Pff_Y20Pff-NOES DYANA
  1 VAL  HA      2 GLY  HN      2.50 
  1 VAL  HA      3 GLU  HN      5.00 
  1 VAL  HB      2 GLY  HN      5.50 
  1 VAL  QG1     2 GLY  HN      7.70 
  1 VAL  QG2     2 GLY  HN      7.70 
  2 GLY  HN      3 GLU  HN      3.50 
  3 GLU  HN      4 CYS  HN      5.00 
  3 GLU  HN     20 PFF  QD      7.70  
  3 GLU  HA      4 CYS  HN      3.00 
  3 GLU  HA     20 PFF  HA      3.50 
  3 GLU  HA     20 PFF  QD      5.70 
  3 GLU  HB2    20 PFF  QD      7.70 
  3 GLU  HB3    20 PFF  QD      7.70 
  4 CYS  HN      4 CYS  HB2     3.50 
  4 CYS  HN     20 PFF  HA      3.50 
  4 CYS  HN     21 CYS  HN      5.00 
  4 CYS  HA      5 VAL  HN      2.50 
  4 CYS  HB2     5 VAL  HN      3.50 
  4 CYS  HB2     7 GLY  HN      3.50 
  4 CYS  HB2     8 ARG  HN      5.00 
  4 CYS  HB3     5 VAL  HN      3.50 
  4 CYS  HB3     7 GLY  HN      5.00 
  4 CYS  HB3     8 ARG  HN      5.00 
  5 VAL  HN      5 VAL  HB      2.50 
  5 VAL  HN      6 ARG  HN      5.00 
  5 VAL  HN      8 ARG  HN      3.00 
  5 VAL  HA      6 ARG  HN      2.50 
  6 ARG  HN      7 GLY  HN      2.50 
  6 ARG  HA      7 GLY  HN      2.50 
  7 GLY  HN      8 ARG  HN      3.00 
  8 ARG  HN      8 ARG  HB2     2.50 
  8 ARG  HN      8 ARG  HB3     3.00 
  8 ARG  HN      8 ARG  HG2     5.00 
  8 ARG  HN      8 ARG  HG3     5.00 
  8 ARG  HN      9 CYS  HN      5.00 
  8 ARG  HA      9 CYS  HN      2.50 
  8 ARG  HB3     9 CYS  HN      3.00 
  8 ARG  HG2     9 CYS  HN      5.50 
  8 ARG  HG3     9 CYS  HN      5.50 
  9 CYS  HN      9 CYS  HB2     3.00 
  9 CYS  HN      9 CYS  HB3     3.50 
  9 CYS  HB2    10 PRO  HD2     5.00 
  9 CYS  HB2    10 PRO  HD3     5.50 
  9 CYS  HB3    10 PRO  HD2     5.50 
  9 CYS  HB3    10 PRO  HD3     5.00 
 10 PRO  HA     11 SER  HN      2.50 
 10 PRO  HB2    11 SER  HN      3.00 
 10 PRO  HB3    11 SER  HN      3.50 
 11 SER  HN     12 GLY  HN      5.50 
 11 SER  HA     12 GLY  HN      2.50 
 11 SER  HA     13 MET  HN      5.00 
 12 GLY  HN     13 MET  HN      5.00 
 13 MET  HN     13 MET  HB2     2.50 
 13 MET  HA     14 CYS  HN      2.50 
 13 MET  HB2    14 CYS  HN      3.50 
 13 MET  HB2    22 GLY  HN      5.00 
 13 MET  HB3    14 CYS  HN      3.00 
 13 MET  HB3    21 CYS  HA      5.50 
 14 CYS  HN     14 CYS  HB2     3.50 
 14 CYS  HN     21 CYS  HA      5.50 
 14 CYS  HN     22 GLY  HN      3.00 
 14 CYS  HN     23 LYS  HA      5.00 
 14 CYS  HN     27 TYR  HB3     5.50 
 14 CYS  HA     15 CYS  HN      2.50 
 14 CYS  HB2    15 CYS  HN      4.50 
 14 CYS  HB2    22 GLY  HN      5.50 
 14 CYS  HB2    27 TYR  HB2     5.00 
 14 CYS  HB2    27 TYR  HB3     5.50 
 14 CYS  HB2    28 CYS  HN      5.50 
 14 CYS  HB2    28 CYS  HA      3.00 
 14 CYS  HB3    15 CYS  HN      3.50 
 14 CYS  HB3    27 TYR  HB3     4.50 
 15 CYS  HN     15 CYS  HB2     3.00 
 15 CYS  HN     15 CYS  HB3     3.50 
 15 CYS  HN     16 SER  HN      5.50 
 15 CYS  HA     16 SER  HN      2.50 
 15 CYS  HA     21 CYS  HA      3.50 
 15 CYS  HB2    16 SER  HN      5.00 
 15 CYS  HB3    16 SER  HN      5.50 
 16 SER  HN     17 GLN  HN      5.00 
 16 SER  HN     17 GLN  HA      5.00 
 16 SER  HN     20 PFF  HB2     4.50 
 16 SER  HN     21 CYS  HA      4.50 
 16 SER  HN     27 TYR  QD      7.00 
 16 SER  HA     17 GLN  HN      3.00 
 16 SER  HA     27 TYR  HA      5.50 
 16 SER  HA     27 TYR  HB3     5.50 
 16 SER  HA     27 TYR  QD      7.70 
 17 GLN  HN     17 GLN  HB2     3.50 
 17 GLN  HN     17 GLN  HB3     3.50 
 17 GLN  HN     18 PFF  HN      4.50 
 17 GLN  HA     19 GLY  HN      5.00 
 18 PFF  HN     18 PFF  HB2     3.00 
 18 PFF  HN     19 GLY  HN      3.00 
 18 PFF  HN     20 PFF  HN      5.00 
 18 PFF  HB2    19 GLY  HN      5.00 
 18 PFF  HB2    20 PFF  QD      5.70 
 18 PFF  HB2    27 TYR  QD      7.00 
 18 PFF  HB3    20 PFF  QD      5.70 
 18 PFF  QD     19 GLY  HN      7.70 
 19 GLY  HN     20 PFF  HN      3.50 
 19 GLY  HA1    20 PFF  HN      3.50 
 19 GLY  HA2    20 PFF  HN      3.50 
 20 PFF  HN     20 PFF  HB2     3.50 
 20 PFF  HN     20 PFF  HB3     3.50 
 20 PFF  HA     21 CYS  HN      2.50 
 20 PFF  HB2    21 CYS  HN      5.00 
 20 PFF  HB2    27 TYR  QD      7.70 
 20 PFF  HB2    27 TYR  QE      5.70 
 20 PFF  HB3    21 CYS  HN      3.50 
 20 PFF  HB3    27 TYR  QE      7.00 
 20 PFF  QD     21 CYS  HN      7.70 
 21 CYS  HA     22 GLY  HN      2.50 
 21 CYS  HA     27 TYR  QD      7.70 
 22 GLY  HN     27 TYR  HB2     3.50 
 22 GLY  HN     27 TYR  HB3     3.50 
 22 GLY  HN     27 TYR  QD      7.70 
 22 GLY  HA1    23 LYS  HN      3.50 
 22 GLY  HA2    23 LYS  HN      3.00 
 23 LYS  HN     23 LYS  HG2     5.00 
 23 LYS  HN     23 LYS  HG3     5.00 
 23 LYS  HA     24 GLY  HN      3.00 
 26 LYS  HN     26 LYS  HB2     2.50 
 26 LYS  HN     26 LYS  HB3     3.00 
 26 LYS  HN     27 TYR  HN      3.50 
 26 LYS  HA     28 CYS  HN      5.00 
 26 LYS  HB2    27 TYR  HN      5.50 
 26 LYS  HB2    27 TYR  QD      5.70 
 26 LYS  HB2    27 TYR  QE      7.70 
 26 LYS  HB3    27 TYR  HN      5.50 
 26 LYS  HB3    27 TYR  QD      7.70 
 27 TYR  HN     27 TYR  HB2     3.00 
 27 TYR  HN     28 CYS  HN      2.50 
 27 TYR  HB2    28 CYS  HN      2.40 
 27 TYR  HB2    28 CYS  HA      5.00
 27 TYR  HB3    28 CYS  HN      3.00 
 28 CYS  HN     28 CYS  HB2     3.00 
 28 CYS  HN     28 CYS  HB3     2.50 
 28 CYS  HN     29 GLY  HN      3.50 
 28 CYS  HN     30 ARG  HA      5.00 
 28 CYS  HB2    29 GLY  HN      5.50 
 28 CYS  HB3    29 GLY  HN      5.00 
 29 GLY  HN     30 ARG  HA      5.00 
 30 ARG  HN     30 ARG  HB2     5.00 
  4 CYS  SG     15 CYS  SG      2.10 
  4 CYS  SG     15 CYS  CB      3.10 
  4 CYS  CB     15 CYS  SG      3.10 
  9 CYS  SG     21 CYS  SG      2.10 
  9 CYS  SG     21 CYS  CB      3.10 
  9 CYS  CB     21 CYS  SG      3.10 
 14 CYS  SG     28 CYS  SG      2.10 
 14 CYS  SG     28 CYS  CB      3.10 
 14 CYS  CB     28 CYS  SG      3.10 
  1 VAL  QQG    2  GLY  HN      6.59 
  1 VAL  QQG    20 PFF  QD     11.16 
  2 GLY  QA     20 PFF  QD      8.28 
  3 GLU  HN      3 GLU  QB      3.15 
  3 GLU  HN      3 GLU  QG      6.18 
  3 GLU  QB      4 CYS  HN      4.18 
  3 GLU  QB     20 PFF  HA      6.18 
  3 GLU  QG      4 CYS  HN      6.18 
  3 GLU  QG     20 PFF  QD      8.28 
  4 CYS  HN     19 GLY  QA      6.18 
  4 CYS  HA      5 VAL  QQG     8.96
  4 CYS  HB2     7 GLY  QA      6.08 
  4 CYS  HB3     7 GLY  QA      6.08 
  6 ARG  HN      6 ARG  QG      4.08 
  8 ARG  HN      8 ARG  QD      6.08 
  8 ARG  QD      9 CYS  HN      6.08 
  9 CYS  HA     10 PRO  QD      3.39 
  9 CYS  QB     10 PRO  QD      4.48 
  9 CYS  QB     13 MET  HN      6.08 
  9 CYS  QB     13 MET  HA      6.08 
  9 CYS  QB     13 MET  HB2     3.08 
  9 CYS  QB     13 MET  QG      5.00 
 11 SER  HN     11 SER  QB      3.04 
 11 SER  QB     12 GLY  HN      4.08 
 13 MET  HN     13 MET  QG      4.08 
 14 CYS  HN     21 CYS  QB      6.08 
 16 SER  HN     16 SER  QB      3.24 
 16 SER  QB     17 GLN  HN      3.08 
 16 SER  QB     18 PFF  HN      4.08 
 16 SER  QB     18 PFF  QD      8.28 
 16 SER  QB     27 TYR  HN      6.08 
 16 SER  QB     27 TYR  HA      4.08 
 16 SER  QB     27 TYR  HB3     6.08 
 16 SER  QB     27 TYR  QD      5.28 
 16 SER  QB     27 TYR  QE      8.28 
 17 GLN  HN     17 GLN  QG      4.08 
 17 GLN  HA     17 GLN  QG      3.51 
 17 GLN  QG     18 PFF  HN      6.08 
 17 GLN  QG     18 PFF  QD      8.28 
 20 PFF  HA     21 CYS  QB      6.08 
 21 CYS  QB     22 GLY  HN      4.08 
 22 GLY  QA     23 LYS  HN      2.61 
 22 GLY  QA     27 TYR  QD      8.28 
 23 LYS  HN     23 LYS  QB      3.24 
 23 LYS  HN     24 GLY  QA      6.08 
 23 LYS  HA     23 LYS  QG      3.50 
 24 GLY  QA     26 LYS  HN      6.08 
 26 LYS  HN     26 LYS  QG      4.08 
 26 LYS  HN     26 LYS  QD      6.08 
 26 LYS  HA     26 LYS  QG      3.50 
 26 LYS  HA     26 LYS  QD      6.08 
 26 LYS  HB3    26 LYS  QD      3.52 
 28 CYS  HN     28 CYS  QB      2.61
 30 ARG  HN     30 ARG  QG      6.08 
 30 ARG  HA     30 ARG  QD      6.08 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL   1           H1       VAL   1   8.087   6.092   8.441
    2   2H    VAL   1           H2       VAL   1   6.466   6.064   8.040
    3   3H    VAL   1           H3       VAL   1   7.628   5.657   6.931
    4    HA   VAL   1           HA       VAL   1   8.126   3.676   7.884
    5    HB   VAL   1           HB       VAL   1   8.263   4.459  10.175
    6   1HG1  VAL   1          1HG1      VAL   1   6.157   5.773  10.363
    7   2HG1  VAL   1          2HG1      VAL   1   5.222   4.263  10.316
    8   3HG1  VAL   1          3HG1      VAL   1   6.333   4.580  11.653
    9   1HG2  VAL   1          1HG2      VAL   1   8.157   2.031   9.659
   10   2HG2  VAL   1          2HG2      VAL   1   7.540   2.429  11.270
   11   3HG2  VAL   1          3HG2      VAL   1   6.405   2.054   9.966
   12    H    GLY   2           H        GLY   2   7.055   2.125   6.928
   13   1HA   GLY   2          HA3       GLY   2   5.045   0.689   6.579
   14   2HA   GLY   2          HA2       GLY   2   4.034   2.118   6.826
   15    H    GLU   3           H        GLU   3   7.002   2.383   4.984
   16    HA   GLU   3           HA       GLU   3   5.453   3.276   2.641
   17   1HB   GLU   3          HB2       GLU   3   7.679   4.084   1.976
   18   2HB   GLU   3          HB1       GLU   3   7.030   4.791   3.298
   19   1HG   GLU   3          HG2       GLU   3   9.072   2.788   3.532
   20   2HG   GLU   3          HG1       GLU   3   9.442   4.372   3.383
   21    H    CYS   4           H        CYS   4   5.354   2.225   0.733
   22    HA   CYS   4           HA       CYS   4   6.331  -0.503   0.601
   23   1HB   CYS   4          HB2       CYS   4   5.355   1.117  -1.658
   24   2HB   CYS   4          HB1       CYS   4   5.294  -0.506  -1.493
   25    H    VAL   5           H        VAL   5   7.698  -1.363  -1.053
   26    HA   VAL   5           HA       VAL   5   9.917   0.292  -2.054
   27    HB   VAL   5           HB       VAL   5   9.168  -2.575  -2.744
   28   1HG1  VAL   5          1HG1      VAL   5  11.821  -1.039  -2.887
   29   2HG1  VAL   5          2HG1      VAL   5  11.599  -2.755  -3.277
   30   3HG1  VAL   5          3HG1      VAL   5  10.856  -1.524  -4.296
   31   1HG2  VAL   5          1HG2      VAL   5  10.975  -1.498  -0.545
   32   2HG2  VAL   5          2HG2      VAL   5   9.491  -2.449  -0.328
   33   3HG2  VAL   5          3HG2      VAL   5  10.909  -3.193  -1.064
   34    H    ARG   6           H        ARG   6   7.874   1.588  -2.757
   35    HA   ARG   6           HA       ARG   6   6.515   2.512  -4.327
   36   1HB   ARG   6          HB2       ARG   6   8.680   1.698  -6.166
   37   2HB   ARG   6          HB1       ARG   6   7.567   2.855  -6.463
   38   1HG   ARG   6          HG2       ARG   6   9.637   3.000  -4.464
   39   2HG   ARG   6          HG1       ARG   6   9.585   3.879  -5.839
   40   1HD   ARG   6          HD2       ARG   6   8.838   5.412  -4.397
   41   2HD   ARG   6          HD1       ARG   6   7.413   4.745  -4.834
   42    HE   ARG   6           HE       ARG   6   8.657   3.591  -2.517
   43   1HH1  ARG   6          2HH2      ARG   6   6.294   6.015  -3.501
   44   2HH1  ARG   6          1HH2      ARG   6   5.515   5.973  -1.955
   45   1HH2  ARG   6          2HH1      ARG   6   7.552   3.483  -0.671
   46   2HH2  ARG   6          1HH1      ARG   6   6.222   4.549  -0.368
   47    H    GLY   7           H        GLY   7   5.855   0.074  -3.624
   48   1HA   GLY   7          HA3       GLY   7   3.550  -0.333  -5.031
   49   2HA   GLY   7          HA2       GLY   7   4.656  -1.328  -5.971
   50    H    ARG   8           H        ARG   8   6.124  -2.236  -3.425
   51    HA   ARG   8           HA       ARG   8   3.939  -3.843  -2.171
   52   1HB   ARG   8          HB2       ARG   8   6.149  -4.746  -3.792
   53   2HB   ARG   8          HB1       ARG   8   6.038  -5.543  -2.371
   54   1HG   ARG   8          HG2       ARG   8   3.537  -5.391  -3.515
   55   2HG   ARG   8          HG1       ARG   8   4.581  -6.031  -4.596
   56   1HD   ARG   8          HD2       ARG   8   3.541  -7.751  -3.337
   57   2HD   ARG   8          HD1       ARG   8   5.151  -7.739  -3.063
   58    HE   ARG   8           HE       ARG   8   4.833  -7.278  -0.838
   59   1HH1  ARG   8          2HH2      ARG   8   1.753  -6.688  -2.486
   60   2HH1  ARG   8          1HH2      ARG   8   0.906  -6.684  -0.976
   61   1HH2  ARG   8          2HH1      ARG   8   3.646  -7.231   0.979
   62   2HH2  ARG   8          1HH1      ARG   8   1.934  -6.978   0.905
   63    H    CYS   9           H        CYS   9   4.649  -5.126  -0.384
   64    HA   CYS   9           HA       CYS   9   6.671  -4.033   1.443
   65   1HB   CYS   9          HB2       CYS   9   3.783  -3.741   1.639
   66   2HB   CYS   9          HB1       CYS   9   4.507  -4.279   3.001
   67    HA   PRO  10           HA       PRO  10   7.058  -8.202   2.820
   68   1HB   PRO  10          HB2       PRO  10   5.798  -7.628   5.420
   69   2HB   PRO  10          HB1       PRO  10   7.179  -8.440   5.106
   70   1HG   PRO  10          HG2       PRO  10   7.385  -5.979   5.847
   71   2HG   PRO  10          HG1       PRO  10   8.346  -6.483   4.626
   72   1HD   PRO  10          HD2       PRO  10   5.876  -5.002   4.415
   73   2HD   PRO  10          HD1       PRO  10   7.246  -4.768   3.556
   74    H    SER  11           H        SER  11   5.946 -10.174   3.951
   75    HA   SER  11           HA       SER  11   3.924 -10.861   2.074
   76   1HB   SER  11          HB2       SER  11   4.055 -12.992   3.185
   77   2HB   SER  11          HB1       SER  11   5.553 -12.412   2.890
   78    HG   SER  11           HG       SER  11   4.191 -12.224   5.277
   79    H    GLY  12           H        GLY  12   2.351  -9.357   2.595
   80   1HA   GLY  12          HA3       GLY  12  -0.026 -10.533   3.224
   81   2HA   GLY  12          HA2       GLY  12   0.468  -9.981   4.824
   82    H    MET  13           H        MET  13   1.728  -7.479   3.372
   83    HA   MET  13           HA       MET  13  -0.712  -5.905   3.738
   84   1HB   MET  13          HB2       MET  13   2.007  -5.034   2.983
   85   2HB   MET  13          HB1       MET  13   0.787  -4.054   3.450
   86   1HG   MET  13          HG2       MET  13   1.948  -4.187   5.341
   87   2HG   MET  13          HG1       MET  13   0.867  -5.390   5.567
   88   1HE   MET  13          HE1       MET  13   3.522  -4.957   7.270
   89   2HE   MET  13          HE2       MET  13   2.338  -6.240   7.621
   90   3HE   MET  13          HE3       MET  13   4.061  -6.643   7.437
   91    H    CYS  14           H        CYS  14  -1.295  -4.138   2.266
   92    HA   CYS  14           HA       CYS  14  -0.791  -4.642  -0.638
   93   1HB   CYS  14          HB2       CYS  14  -3.214  -3.418   0.499
   94   2HB   CYS  14          HB1       CYS  14  -2.993  -4.011  -1.006
   95    H    CYS  15           H        CYS  15  -1.000  -2.432  -1.847
   96    HA   CYS  15           HA       CYS  15   0.478  -0.427  -0.185
   97   1HB   CYS  15          HB2       CYS  15   1.848  -1.757  -1.683
   98   2HB   CYS  15          HB1       CYS  15   0.996  -1.232  -2.974
   99    H    SER  16           H        SER  16   0.295   1.748  -0.703
  100    HA   SER  16           HA       SER  16  -2.320   2.462  -1.873
  101   1HB   SER  16          HB2       SER  16  -2.281   4.152  -0.297
  102   2HB   SER  16          HB1       SER  16  -1.581   2.913   0.505
  103    HG   SER  16           HG       SER  16  -0.518   4.830   0.820
  104    H    GLN  17           H        GLN  17  -2.301   5.022  -2.193
  105    HA   GLN  17           HA       GLN  17  -1.012   5.253  -4.772
  106   1HB   GLN  17          HB2       GLN  17  -2.841   7.130  -3.404
  107   2HB   GLN  17          HB1       GLN  17  -2.516   7.078  -5.004
  108   1HG   GLN  17          HG2       GLN  17  -4.604   6.122  -4.750
  109   2HG   GLN  17          HG1       GLN  17  -3.583   4.884  -5.054
  110   1HE2  GLN  17          1HE2      GLN  17  -4.815   3.148  -4.014
  111   2HE2  GLN  17          2HE2      GLN  17  -4.834   3.189  -2.246
  112   1HN   PFF  18          H         PFF  18  -0.169   6.295  -1.622
  113    HA   PFF  18           HA       PFF  18   1.927   8.131  -2.750
  114   1HBC  PFF  18          HB2       PFF  18   0.745   7.741   0.006
  115   2HBC  PFF  18          HB3       PFF  18   2.429   8.229  -0.157
  116    HD1  PFF  18           HD1      PFF  18  -0.201   9.434  -2.521
  117    HD2  PFF  18           HD2      PFF  18   2.294  10.329   0.887
  118    HE1  PFF  18           HE1      PFF  18  -0.589  11.840  -2.866
  119    HE2  PFF  18           HE2      PFF  18   1.890  12.748   0.535
  120    H    GLY  19           H        GLY  19   1.405   4.868  -2.436
  121   1HA   GLY  19          HA3       GLY  19   2.717   3.064  -2.128
  122   2HA   GLY  19          HA2       GLY  19   4.140   4.088  -2.276
  123   1HN   PFF  20          H         PFF  20   1.466   3.907   0.136
  124    HA   PFF  20           HA       PFF  20   3.466   2.985   2.145
  125   1HBC  PFF  20          HB2       PFF  20   0.981   4.681   2.466
  126   2HBC  PFF  20          HB3       PFF  20   1.686   3.761   3.785
  127    HD1  PFF  20           HD1      PFF  20   2.386   6.505   1.377
  128    HD2  PFF  20           HD2      PFF  20   3.645   4.476   4.959
  129    HE1  PFF  20           HE1      PFF  20   4.134   8.241   1.752
  130    HE2  PFF  20           HE2      PFF  20   5.418   6.171   5.301
  131    H    CYS  21           H        CYS  21   2.433   1.329   3.665
  132    HA   CYS  21           HA       CYS  21   0.408  -0.210   2.101
  133   1HB   CYS  21          HB2       CYS  21   1.746  -2.128   2.437
  134   2HB   CYS  21          HB1       CYS  21   2.624  -0.981   1.675
  135    H    GLY  22           H        GLY  22  -0.780  -1.806   3.072
  136   1HA   GLY  22          HA3       GLY  22  -0.870  -2.430   5.845
  137   2HA   GLY  22          HA2       GLY  22  -1.911  -1.019   5.544
  138    H    LYS  23           H        LYS  23  -3.570  -2.670   6.261
  139    HA   LYS  23           HA       LYS  23  -4.691  -3.962   3.817
  140   1HB   LYS  23          HB2       LYS  23  -3.736  -5.407   5.863
  141   2HB   LYS  23          HB1       LYS  23  -5.309  -5.303   6.292
  142   1HG   LYS  23          HG2       LYS  23  -5.996  -6.237   4.261
  143   2HG   LYS  23          HG1       LYS  23  -4.483  -6.144   3.653
  144   1HD   LYS  23          HD2       LYS  23  -3.774  -7.749   5.318
  145   2HD   LYS  23          HD1       LYS  23  -5.335  -7.911   5.771
  146   1HE   LYS  23          HE2       LYS  23  -4.809  -9.685   4.330
  147   2HE   LYS  23          HE1       LYS  23  -5.855  -8.697   3.557
  148   1HZ   LYS  23          HZ1       LYS  23  -3.005  -8.617   3.164
  149   2HZ   LYS  23          HZ2       LYS  23  -4.043  -9.391   2.149
  150   3HZ   LYS  23          HZ3       LYS  23  -4.109  -7.757   2.318
  151    H    GLY  24           H        GLY  24  -5.132  -1.392   4.728
  152   1HA   GLY  24          HA3       GLY  24  -8.022  -1.428   5.497
  153   2HA   GLY  24          HA2       GLY  24  -6.922  -0.098   5.884
  154    HA   PRO  25           HA       PRO  25  -9.887   0.272   2.146
  155   1HB   PRO  25          HB2       PRO  25  -9.658   3.023   3.199
  156   2HB   PRO  25          HB1       PRO  25 -10.918   2.339   2.417
  157   1HG   PRO  25          HG2       PRO  25 -10.955   2.305   4.998
  158   2HG   PRO  25          HG1       PRO  25 -11.419   0.948   4.216
  159   1HD   PRO  25          HD2       PRO  25  -8.925   1.440   5.541
  160   2HD   PRO  25          HD1       PRO  25  -9.711   0.016   5.394
  161    H    LYS  26           H        LYS  26  -7.649   3.137   2.420
  162    HA   LYS  26           HA       LYS  26  -7.207   2.989  -0.430
  163   1HB   LYS  26          HB2       LYS  26  -5.962   4.630   1.682
  164   2HB   LYS  26          HB1       LYS  26  -5.649   4.816   0.089
  165   1HG   LYS  26          HG2       LYS  26  -8.174   5.085  -0.069
  166   2HG   LYS  26          HG1       LYS  26  -8.033   5.499   1.504
  167   1HD   LYS  26          HD2       LYS  26  -7.832   7.521   0.461
  168   2HD   LYS  26          HD1       LYS  26  -6.270   7.101   0.689
  169   1HE   LYS  26          HE2       LYS  26  -6.340   6.113  -1.565
  170   2HE   LYS  26          HE1       LYS  26  -7.772   6.873  -1.762
  171   1HZ   LYS  26          HZ1       LYS  26  -6.350   8.339  -2.707
  172   2HZ   LYS  26          HZ2       LYS  26  -6.500   8.966  -1.234
  173   3HZ   LYS  26          HZ3       LYS  26  -5.178   8.077  -1.548
  174    H    TYR  27           H        TYR  27  -5.814   1.019   1.923
  175    HA   TYR  27           HA       TYR  27  -3.204   0.830   0.501
  176   1HB   TYR  27          HB2       TYR  27  -4.208  -0.671   2.838
  177   2HB   TYR  27          HB1       TYR  27  -2.702  -0.761   2.212
  178    HD1  TYR  27           HD1      TYR  27  -1.261   1.388   2.176
  179    HD2  TYR  27           HD2      TYR  27  -4.723   0.789   4.653
  180    HE1  TYR  27           HE1      TYR  27  -0.436   3.123   3.770
  181    HE2  TYR  27           HE2      TYR  27  -3.840   2.477   6.273
  182    HH   TYR  27           HH       TYR  27  -0.861   4.351   5.734
  183    H    CYS  28           H        CYS  28  -6.076  -1.286   1.338
  184    HA   CYS  28           HA       CYS  28  -5.204  -2.974  -0.989
  185   1HB   CYS  28          HB2       CYS  28  -5.192  -3.667   1.487
  186   2HB   CYS  28          HB1       CYS  28  -6.790  -3.920   1.265
  187    H    GLY  29           H        GLY  29  -7.560  -0.699  -0.490
  188   1HA   GLY  29          HA3       GLY  29  -9.587  -0.367  -1.569
  189   2HA   GLY  29          HA2       GLY  29  -9.564  -2.017  -2.197
  190    H    ARG  30           H        ARG  30  -8.819  -1.980   1.088
  191    HA   ARG  30           HA       ARG  30 -10.982  -1.753   2.666
  192   1HB   ARG  30          HB2       ARG  30 -11.944  -3.904   2.866
  193   2HB   ARG  30          HB1       ARG  30 -12.109  -3.461   1.302
  194   1HG   ARG  30          HG2       ARG  30 -10.211  -5.398   2.254
  195   2HG   ARG  30          HG1       ARG  30 -11.614  -5.766   1.503
  196   1HD   ARG  30          HD2       ARG  30  -9.338  -4.506   0.275
  197   2HD   ARG  30          HD1       ARG  30  -9.861  -6.026  -0.016
  198    HE   ARG  30           HE       ARG  30 -11.687  -3.875  -0.634
  199   1HH1  ARG  30          2HH1      ARG  30  -8.908  -5.372  -2.011
  200   2HH1  ARG  30          1HH1      ARG  30  -9.537  -5.306  -3.623
  201   1HH2  ARG  30          2HH2      ARG  30 -12.644  -4.124  -2.694
  202   2HH2  ARG  30          1HH2      ARG  30 -11.622  -4.609  -4.005
  203   1HN   NH2  31          1HN       NH2  31 -10.615  -3.534   4.695
  204   2HN   NH2  31          2HN       NH2  31  -8.880  -3.671   5.009
  205    H1   NAG  32           H1       NAG  32  -7.275  13.992  -2.646
  206    H2   NAG  32           H2       NAG  32  -5.974  11.343  -3.359
  207    H3   NAG  32           H3       NAG  32  -6.648  12.499  -0.618
  208    H4   NAG  32           H4       NAG  32  -3.988  11.871  -1.983
  209    H5   NAG  32           H5       NAG  32  -5.339  14.517  -1.276
  210   1H6   NAG  32          1H6       NAG  32  -2.998  14.840  -0.972
  211   2H6   NAG  32          2H6       NAG  32  -3.388  15.488  -2.571
  212   1H8   NAG  32          1H8       NAG  32  -9.901   8.913  -3.799
  213   2H8   NAG  32          2H8       NAG  32 -10.239   9.918  -2.365
  214   3H8   NAG  32          3H8       NAG  32 -10.258  10.642  -4.005
  215    HN2  NAG  32           HN2      NAG  32  -8.788  11.966  -2.501
  216    HO1  NAG  32           HO1      NAG  32  -6.255  13.866  -4.974
  217    HO3  NAG  32           HO3      NAG  32  -5.209  10.609  -0.167
  218    HO6  NAG  32           HO6      NAG  32  -1.513  14.225  -2.632
  219    H1   NAG  33           H1       NAG  33  -2.234  11.739  -0.481
  220    H2   NAG  33           H2       NAG  33  -3.233  12.101   2.352
  221    H3   NAG  33           H3       NAG  33  -0.511  11.013   1.547
  222    H4   NAG  33           H4       NAG  33  -2.876   9.528   2.739
  223    H5   NAG  33           H5       NAG  33  -1.739   9.487  -0.085
  224   1H6   NAG  33          1H6       NAG  33  -3.945   7.809   1.190
  225   2H6   NAG  33          2H6       NAG  33  -2.353   7.238   0.652
  226   1H8   NAG  33          1H8       NAG  33   0.539  15.652   2.007
  227   2H8   NAG  33          2H8       NAG  33  -0.476  15.543   0.549
  228   3H8   NAG  33          3H8       NAG  33  -1.202  16.003   2.124
  229    HN2  NAG  33           HN2      NAG  33  -2.415  14.138   1.041
  230    HO3  NAG  33           HO3      NAG  33  -0.515  12.007   3.480
  231    HO6  NAG  33           HO6      NAG  33  -3.622   6.768  -1.003
  232    H1   NAG  34           H1       NAG  34  -1.330   8.961   4.371
  233    H2   NAG  34           H2       NAG  34   0.231   6.552   3.405
  234    H3   NAG  34           H3       NAG  34  -0.558   7.398   6.212
  235    H4   NAG  34           H4       NAG  34   2.156   7.297   4.828
  236    H5   NAG  34           H5       NAG  34   0.496   9.668   5.734
  237   1H6   NAG  34          1H6       NAG  34   2.294  11.022   4.836
  238   2H6   NAG  34          2H6       NAG  34   3.159   9.593   4.252
  239   1H8   NAG  34          1H8       NAG  34  -4.312   5.878   2.933
  240   2H8   NAG  34          2H8       NAG  34  -3.741   4.207   2.609
  241   3H8   NAG  34          3H8       NAG  34  -3.843   4.806   4.282
  242    HN2  NAG  34           HN2      NAG  34  -2.415   6.452   4.883
  243    HO4  NAG  34           HO4      NAG  34   2.619   8.361   6.946
  244    HO3  NAG  34           HO3      NAG  34   1.136   5.809   6.529
  245    HO6  NAG  34           HO6      NAG  34   3.931  10.522   6.256
  Start of MODEL    2
    1   1H    VAL   1           H1       VAL   1   9.089   6.818   6.880
    2   2H    VAL   1           H2       VAL   1   7.431   6.930   6.804
    3   3H    VAL   1           H3       VAL   1   8.300   6.151   5.633
    4    HA   VAL   1           HA       VAL   1   8.898   4.397   7.030
    5    HB   VAL   1           HB       VAL   1   7.430   5.885   9.253
    6   1HG1  VAL   1          1HG1      VAL   1   8.977   3.248   9.208
    7   2HG1  VAL   1          2HG1      VAL   1   8.353   4.046  10.665
    8   3HG1  VAL   1          3HG1      VAL   1   7.226   3.424   9.462
    9   1HG2  VAL   1          1HG2      VAL   1   9.600   6.960   8.875
   10   2HG2  VAL   1          2HG2      VAL   1   9.704   5.943  10.306
   11   3HG2  VAL   1          3HG2      VAL   1  10.401   5.370   8.781
   12    H    GLY   2           H        GLY   2   7.707   2.920   6.170
   13   1HA   GLY   2          HA3       GLY   2   5.671   1.459   6.246
   14   2HA   GLY   2          HA2       GLY   2   4.700   2.917   6.476
   15    H    GLU   3           H        GLU   3   7.350   3.190   4.284
   16    HA   GLU   3           HA       GLU   3   5.552   3.712   2.031
   17   1HB   GLU   3          HB2       GLU   3   7.686   4.302   0.965
   18   2HB   GLU   3          HB1       GLU   3   7.264   5.224   2.246
   19   1HG   GLU   3          HG2       GLU   3   9.202   3.129   2.537
   20   2HG   GLU   3          HG1       GLU   3   9.652   4.620   2.046
   21    H    CYS   4           H        CYS   4   5.620   2.615   0.014
   22    HA   CYS   4           HA       CYS   4   5.992  -0.241   0.467
   23   1HB   CYS   4          HB2       CYS   4   5.289   0.927  -2.122
   24   2HB   CYS   4          HB1       CYS   4   4.863  -0.524  -1.503
   25    H    VAL   5           H        VAL   5   7.295  -1.608  -0.524
   26    HA   VAL   5           HA       VAL   5   9.851  -0.758  -1.721
   27    HB   VAL   5           HB       VAL   5   8.681  -3.550  -1.321
   28   1HG1  VAL   5          1HG1      VAL   5  11.519  -2.592  -1.948
   29   2HG1  VAL   5          2HG1      VAL   5  11.048  -4.266  -1.589
   30   3HG1  VAL   5          3HG1      VAL   5  10.463  -3.489  -3.062
   31   1HG2  VAL   5          1HG2      VAL   5  10.656  -1.951   0.357
   32   2HG2  VAL   5          2HG2      VAL   5   9.018  -2.436   0.842
   33   3HG2  VAL   5          3HG2      VAL   5  10.260  -3.667   0.587
   34    H    ARG   6           H        ARG   6   8.695   0.456  -3.359
   35    HA   ARG   6           HA       ARG   6   7.949   0.844  -5.429
   36   1HB   ARG   6          HB2       ARG   6  10.092  -0.726  -5.665
   37   2HB   ARG   6          HB1       ARG   6   9.036  -1.636  -6.516
   38   1HG   ARG   6          HG2       ARG   6   8.765   0.922  -7.401
   39   2HG   ARG   6          HG1       ARG   6  10.366   0.599  -7.373
   40   1HD   ARG   6          HD2       ARG   6   9.439   0.077  -9.510
   41   2HD   ARG   6          HD1       ARG   6  10.026  -1.271  -8.798
   42    HE   ARG   6           HE       ARG   6   7.650  -1.582  -7.965
   43   1HH1  ARG   6          2HH2      ARG   6   8.221  -0.364 -11.212
   44   2HH1  ARG   6          1HH2      ARG   6   6.525  -0.385 -11.559
   45   1HH2  ARG   6          2HH1      ARG   6   5.614  -1.489  -8.391
   46   2HH2  ARG   6          1HH1      ARG   6   5.047  -1.022  -9.960
   47    H    GLY   7           H        GLY   7   6.246  -0.281  -3.767
   48   1HA   GLY   7          HA3       GLY   7   3.835  -0.568  -4.207
   49   2HA   GLY   7          HA2       GLY   7   4.227  -1.620  -5.559
   50    H    ARG   8           H        ARG   8   6.318  -2.755  -3.188
   51    HA   ARG   8           HA       ARG   8   4.267  -4.548  -1.987
   52   1HB   ARG   8          HB2       ARG   8   7.071  -5.030  -2.788
   53   2HB   ARG   8          HB1       ARG   8   6.164  -6.106  -1.961
   54   1HG   ARG   8          HG2       ARG   8   5.492  -5.206  -4.611
   55   2HG   ARG   8          HG1       ARG   8   6.324  -6.582  -4.327
   56   1HD   ARG   8          HD2       ARG   8   4.145  -7.235  -4.704
   57   2HD   ARG   8          HD1       ARG   8   4.376  -7.386  -3.094
   58    HE   ARG   8           HE       ARG   8   3.214  -4.908  -4.002
   59   1HH1  ARG   8          2HH2      ARG   8   2.534  -7.886  -2.202
   60   2HH1  ARG   8          1HH2      ARG   8   1.362  -7.058  -1.232
   61   1HH2  ARG   8          2HH1      ARG   8   1.874  -3.981  -2.629
   62   2HH2  ARG   8          1HH1      ARG   8   1.006  -4.922  -1.463
   63    H    CYS   9           H        CYS   9   5.268  -5.723  -0.009
   64    HA   CYS   9           HA       CYS   9   6.741  -4.268   1.908
   65   1HB   CYS   9          HB2       CYS   9   3.980  -3.579   1.551
   66   2HB   CYS   9          HB1       CYS   9   4.258  -4.154   3.054
   67    HA   PRO  10           HA       PRO  10   6.497  -8.276   3.649
   68   1HB   PRO  10          HB2       PRO  10   5.752  -8.047   6.238
   69   2HB   PRO  10          HB1       PRO  10   7.247  -7.676   5.693
   70   1HG   PRO  10          HG2       PRO  10   5.079  -5.840   6.233
   71   2HG   PRO  10          HG1       PRO  10   6.656  -5.643   6.607
   72   1HD   PRO  10          HD2       PRO  10   5.706  -4.486   4.488
   73   2HD   PRO  10          HD1       PRO  10   7.222  -5.093   4.453
   74    H    SER  11           H        SER  11   5.174  -9.870   5.087
   75    HA   SER  11           HA       SER  11   3.635 -11.397   4.001
   76   1HB   SER  11          HB2       SER  11   2.735 -10.263   6.554
   77   2HB   SER  11          HB1       SER  11   2.450 -11.777   6.010
   78    HG   SER  11           HG       SER  11   4.231 -11.799   7.369
   79    H    GLY  12           H        GLY  12   2.836 -10.200   2.194
   80   1HA   GLY  12          HA3       GLY  12   1.032  -9.734   0.782
   81   2HA   GLY  12          HA2       GLY  12   0.023 -10.519   1.998
   82    H    MET  13           H        MET  13   1.902  -7.464   2.519
   83    HA   MET  13           HA       MET  13  -0.628  -6.011   2.973
   84   1HB   MET  13          HB2       MET  13   2.165  -5.067   2.800
   85   2HB   MET  13          HB1       MET  13   0.892  -4.108   3.159
   86   1HG   MET  13          HG2       MET  13   0.460  -5.422   5.096
   87   2HG   MET  13          HG1       MET  13   1.753  -6.356   4.742
   88   1HE   MET  13          HE1       MET  13   1.273  -5.079   7.600
   89   2HE   MET  13          HE2       MET  13   2.656  -6.128   7.207
   90   3HE   MET  13          HE3       MET  13   2.927  -4.548   7.978
   91    H    CYS  14           H        CYS  14  -1.016  -3.929   1.858
   92    HA   CYS  14           HA       CYS  14  -0.667  -4.100  -1.106
   93   1HB   CYS  14          HB2       CYS  14  -2.979  -2.946   0.253
   94   2HB   CYS  14          HB1       CYS  14  -2.856  -3.498  -1.280
   95    H    CYS  15           H        CYS  15  -1.131  -1.773  -2.047
   96    HA   CYS  15           HA       CYS  15   0.482   0.175  -0.444
   97   1HB   CYS  15          HB2       CYS  15   1.774  -1.055  -2.120
   98   2HB   CYS  15          HB1       CYS  15   0.830  -0.446  -3.305
   99    H    SER  16           H        SER  16  -0.016   2.319  -0.642
  100    HA   SER  16           HA       SER  16  -2.774   2.842  -1.365
  101   1HB   SER  16          HB2       SER  16  -2.505   4.627   0.083
  102   2HB   SER  16          HB1       SER  16  -1.519   3.504   0.742
  103    HG   SER  16           HG       SER  16  -0.630   5.574   0.704
  104    H    GLN  17           H        GLN  17  -3.035   5.415  -1.799
  105    HA   GLN  17           HA       GLN  17  -2.107   5.793  -4.524
  106   1HB   GLN  17          HB2       GLN  17  -3.514   7.812  -2.909
  107   2HB   GLN  17          HB1       GLN  17  -3.583   7.579  -4.524
  108   1HG   GLN  17          HG2       GLN  17  -5.649   7.026  -3.724
  109   2HG   GLN  17          HG1       GLN  17  -4.924   5.607  -4.083
  110   1HE2  GLN  17          1HE2      GLN  17  -6.523   4.572  -2.668
  111   2HE2  GLN  17          2HE2      GLN  17  -5.859   4.352  -1.026
  112   1HN   PFF  18          H         PFF  18  -0.714   6.307  -1.498
  113    HA   PFF  18           HA       PFF  18   0.885   8.651  -2.458
  114   1HBC  PFF  18          HB2       PFF  18  -0.042   7.952   0.352
  115   2HBC  PFF  18          HB3       PFF  18   1.049   9.275  -0.061
  116    HD1  PFF  18           HD1      PFF  18   0.273  11.239  -1.332
  117    HD2  PFF  18           HD2      PFF  18  -2.442   8.088  -0.208
  118    HE1  PFF  18           HE1      PFF  18  -1.641  12.603  -2.133
  119    HE2  PFF  18           HE2      PFF  18  -4.351   9.450  -1.041
  120    H    GLY  19           H        GLY  19   1.195   5.484  -2.418
  121   1HA   GLY  19          HA3       GLY  19   3.139   4.215  -2.524
  122   2HA   GLY  19          HA2       GLY  19   4.071   5.650  -2.085
  123   1HN   PFF  20          H         PFF  20   1.497   4.747   0.142
  124    HA   PFF  20           HA       PFF  20   3.535   3.570   1.985
  125   1HBC  PFF  20          HB2       PFF  20   0.981   5.116   2.467
  126   2HBC  PFF  20          HB3       PFF  20   1.804   4.187   3.707
  127    HD1  PFF  20           HD1      PFF  20   1.969   7.238   1.643
  128    HD2  PFF  20           HD2      PFF  20   3.974   4.857   4.620
  129    HE1  PFF  20           HE1      PFF  20   3.391   9.180   2.246
  130    HE2  PFF  20           HE2      PFF  20   5.465   6.763   5.142
  131    H    CYS  21           H        CYS  21   2.808   1.740   3.300
  132    HA   CYS  21           HA       CYS  21   0.818   0.161   1.737
  133   1HB   CYS  21          HB2       CYS  21   2.229  -1.639   1.950
  134   2HB   CYS  21          HB1       CYS  21   3.208  -0.394   1.549
  135    H    GLY  22           H        GLY  22  -0.353  -1.531   2.694
  136   1HA   GLY  22          HA3       GLY  22  -0.296  -2.314   5.400
  137   2HA   GLY  22          HA2       GLY  22  -1.455  -0.971   5.270
  138    H    LYS  23           H        LYS  23  -2.703  -3.137   6.013
  139    HA   LYS  23           HA       LYS  23  -3.857  -4.397   3.557
  140   1HB   LYS  23          HB2       LYS  23  -4.083  -5.170   6.407
  141   2HB   LYS  23          HB1       LYS  23  -4.864  -5.930   5.191
  142   1HG   LYS  23          HG2       LYS  23  -2.794  -6.615   4.261
  143   2HG   LYS  23          HG1       LYS  23  -1.985  -5.802   5.424
  144   1HD   LYS  23          HD2       LYS  23  -2.978  -7.232   7.080
  145   2HD   LYS  23          HD1       LYS  23  -3.716  -8.072   5.889
  146   1HE   LYS  23          HE2       LYS  23  -0.851  -7.856   6.005
  147   2HE   LYS  23          HE1       LYS  23  -1.639  -9.065   6.770
  148   1HZ   LYS  23          HZ1       LYS  23  -0.802  -9.739   4.671
  149   2HZ   LYS  23          HZ2       LYS  23  -2.450  -9.869   4.719
  150   3HZ   LYS  23          HZ3       LYS  23  -1.720  -8.625   3.917
  151    H    GLY  24           H        GLY  24  -4.418  -1.722   5.168
  152   1HA   GLY  24          HA3       GLY  24  -7.274  -2.000   5.739
  153   2HA   GLY  24          HA2       GLY  24  -6.339  -0.503   5.861
  154    HA   PRO  25           HA       PRO  25  -9.425  -0.971   2.154
  155   1HB   PRO  25          HB2       PRO  25 -10.303   1.552   3.418
  156   2HB   PRO  25          HB1       PRO  25 -11.192   0.474   2.572
  157   1HG   PRO  25          HG2       PRO  25 -11.255   0.331   5.150
  158   2HG   PRO  25          HG1       PRO  25 -11.175  -1.067   4.309
  159   1HD   PRO  25          HD2       PRO  25  -9.040   0.279   5.684
  160   2HD   PRO  25          HD1       PRO  25  -9.269  -1.332   5.538
  161    H    LYS  26           H        LYS  26  -8.079   2.177   3.260
  162    HA   LYS  26           HA       LYS  26  -7.655   3.331   0.711
  163   1HB   LYS  26          HB2       LYS  26  -6.537   3.769   3.395
  164   2HB   LYS  26          HB1       LYS  26  -5.880   4.570   2.132
  165   1HG   LYS  26          HG2       LYS  26  -8.719   4.689   2.416
  166   2HG   LYS  26          HG1       LYS  26  -7.827   5.610   3.428
  167   1HD   LYS  26          HD2       LYS  26  -7.408   5.750   0.574
  168   2HD   LYS  26          HD1       LYS  26  -8.521   6.702   1.296
  169   1HE   LYS  26          HE2       LYS  26  -6.943   7.827   2.506
  170   2HE   LYS  26          HE1       LYS  26  -5.828   6.653   2.290
  171   1HZ   LYS  26          HZ1       LYS  26  -6.670   8.518   0.251
  172   2HZ   LYS  26          HZ2       LYS  26  -5.314   8.592   1.126
  173   3HZ   LYS  26          HZ3       LYS  26  -5.496   7.333   0.060
  174    H    TYR  27           H        TYR  27  -5.769   0.826   2.213
  175    HA   TYR  27           HA       TYR  27  -3.377   1.427   0.533
  176   1HB   TYR  27          HB2       TYR  27  -3.850  -0.599   2.639
  177   2HB   TYR  27          HB1       TYR  27  -2.427  -0.333   1.883
  178    HD1  TYR  27           HD1      TYR  27  -1.143   1.744   2.221
  179    HD2  TYR  27           HD2      TYR  27  -4.648   0.790   4.495
  180    HE1  TYR  27           HE1      TYR  27  -0.397   3.322   4.015
  181    HE2  TYR  27           HE2      TYR  27  -4.000   2.521   6.192
  182    HH   TYR  27           HH       TYR  27  -0.917   4.246   6.040
  183    H    CYS  28           H        CYS  28  -5.824  -1.085   1.191
  184    HA   CYS  28           HA       CYS  28  -4.765  -2.619  -1.079
  185   1HB   CYS  28          HB2       CYS  28  -5.254  -3.382   1.308
  186   2HB   CYS  28          HB1       CYS  28  -6.787  -3.579   0.780
  187    H    GLY  29           H        GLY  29  -7.983  -1.277  -0.147
  188   1HA   GLY  29          HA3       GLY  29  -9.144  -2.293  -2.693
  189   2HA   GLY  29          HA2       GLY  29  -9.974  -1.348  -1.445
  190    H    ARG  30           H        ARG  30  -8.280   0.684  -1.121
  191    HA   ARG  30           HA       ARG  30  -7.522   2.684  -1.687
  192   1HB   ARG  30          HB2       ARG  30  -5.539   2.430  -2.708
  193   2HB   ARG  30          HB1       ARG  30  -5.870   0.889  -2.278
  194   1HG   ARG  30          HG2       ARG  30  -6.674   0.605  -4.615
  195   2HG   ARG  30          HG1       ARG  30  -5.872   1.993  -4.928
  196   1HD   ARG  30          HD2       ARG  30  -4.331   0.343  -5.377
  197   2HD   ARG  30          HD1       ARG  30  -3.901   0.903  -3.904
  198    HE   ARG  30           HE       ARG  30  -5.694  -1.264  -3.622
  199   1HH1  ARG  30          2HH2      ARG  30  -2.289  -0.603  -4.119
  200   2HH1  ARG  30          1HH2      ARG  30  -1.866  -2.277  -3.984
  201   1HH2  ARG  30          2HH1      ARG  30  -5.144  -3.359  -3.600
  202   2HH2  ARG  30          1HH1      ARG  30  -3.481  -3.836  -3.690
  203   1HN   NH2  31          1HN       NH2  31  -9.627   3.140  -5.047
  204   2HN   NH2  31          2HN       NH2  31  -9.577   1.574  -4.245
  205    H1   NAG  32           H1       NAG  32  -7.425  14.840   1.126
  206    H2   NAG  32           H2       NAG  32  -6.241  12.956  -0.924
  207    H3   NAG  32           H3       NAG  32  -5.850  12.893   2.104
  208    H4   NAG  32           H4       NAG  32  -3.828  13.650  -0.062
  209    H5   NAG  32           H5       NAG  32  -5.338  15.394   1.936
  210   1H6   NAG  32          1H6       NAG  32  -4.240  17.231   0.457
  211   2H6   NAG  32          2H6       NAG  32  -3.009  16.012   0.098
  212   1H8   NAG  32          1H8       NAG  32 -10.078  11.058  -0.391
  213   2H8   NAG  32          2H8       NAG  32  -9.477   9.464   0.111
  214   3H8   NAG  32          3H8       NAG  32  -9.765  10.723   1.339
  215    HN2  NAG  32           HN2      NAG  32  -8.684  12.815   0.521
  216    HO1  NAG  32           HO1      NAG  32  -7.457  15.739  -1.203
  217    HO3  NAG  32           HO3      NAG  32  -5.703  11.108   0.228
  218    HO6  NAG  32           HO6      NAG  32  -2.397  16.062   2.208
  219    H1   NAG  33           H1       NAG  33  -2.461  12.048   0.994
  220    H2   NAG  33           H2       NAG  33  -1.253  13.180   3.535
  221    H3   NAG  33           H3       NAG  33  -0.303  10.735   2.009
  222    H4   NAG  33           H4       NAG  33  -1.736  10.712   4.710
  223    H5   NAG  33           H5       NAG  33  -2.632   9.961   1.896
  224   1H6   NAG  33          1H6       NAG  33  -4.241   9.864   4.472
  225   2H6   NAG  33          2H6       NAG  33  -3.634   8.439   3.590
  226   1H8   NAG  33          1H8       NAG  33   0.960  16.233   0.751
  227   2H8   NAG  33          2H8       NAG  33   1.946  14.779   1.043
  228   3H8   NAG  33          3H8       NAG  33   0.774  14.818  -0.315
  229    HN2  NAG  33           HN2      NAG  33   0.458  12.797   1.159
  230    HO3  NAG  33           HO3      NAG  33   0.748  10.532   4.145
  231    HO6  NAG  33           HO6      NAG  33  -5.025  10.485   2.272
  232    H1   NAG  34           H1       NAG  34  -1.392   8.620   5.694
  233    H2   NAG  34           H2       NAG  34   0.393   6.883   3.951
  234    H3   NAG  34           H3       NAG  34  -0.474   6.618   6.862
  235    H4   NAG  34           H4       NAG  34   2.228   7.149   5.529
  236    H5   NAG  34           H5       NAG  34   0.466   8.863   7.317
  237   1H6   NAG  34          1H6       NAG  34   2.166  10.575   6.999
  238   2H6   NAG  34          2H6       NAG  34   3.092   9.530   5.910
  239   1H8   NAG  34          1H8       NAG  34  -3.682   5.713   1.952
  240   2H8   NAG  34          2H8       NAG  34  -3.249   4.335   2.988
  241   3H8   NAG  34          3H8       NAG  34  -4.010   5.784   3.713
  242    HN2  NAG  34           HN2      NAG  34  -2.126   5.766   5.092
  243    HO4  NAG  34           HO4      NAG  34   2.718   7.310   7.891
  244    HO3  NAG  34           HO3      NAG  34   1.351   5.132   6.658
  245    HO6  NAG  34           HO6      NAG  34   3.838   9.671   8.138
  Start of MODEL    3
    1   1H    VAL   1           H1       VAL   1   7.979   6.770   6.537
    2   2H    VAL   1           H2       VAL   1   8.397   6.281   5.016
    3   3H    VAL   1           H3       VAL   1   9.550   6.878   5.998
    4    HA   VAL   1           HA       VAL   1   9.580   4.453   5.748
    5    HB   VAL   1           HB       VAL   1  10.707   5.417   7.597
    6   1HG1  VAL   1          1HG1      VAL   1   8.923   6.798   8.640
    7   2HG1  VAL   1          2HG1      VAL   1   8.144   5.316   9.240
    8   3HG1  VAL   1          3HG1      VAL   1   9.757   5.761   9.798
    9   1HG2  VAL   1          1HG2      VAL   1   9.074   3.044   8.586
   10   2HG2  VAL   1          2HG2      VAL   1  10.463   2.948   7.477
   11   3HG2  VAL   1          3HG2      VAL   1  10.681   3.546   9.131
   12    H    GLY   2           H        GLY   2   8.276   3.040   5.103
   13   1HA   GLY   2          HA3       GLY   2   6.411   1.369   5.783
   14   2HA   GLY   2          HA2       GLY   2   5.479   2.798   6.225
   15    H    GLU   3           H        GLU   3   7.533   3.106   3.430
   16    HA   GLU   3           HA       GLU   3   5.207   3.162   1.607
   17   1HB   GLU   3          HB2       GLU   3   6.760   4.461   0.263
   18   2HB   GLU   3          HB1       GLU   3   6.418   5.173   1.693
   19   1HG   GLU   3          HG2       GLU   3   8.890   3.774   1.256
   20   2HG   GLU   3          HG1       GLU   3   8.737   5.372   0.954
   21    H    CYS   4           H        CYS   4   5.248   1.972  -0.334
   22    HA   CYS   4           HA       CYS   4   6.398  -0.560   0.065
   23   1HB   CYS   4          HB2       CYS   4   5.209   0.617  -2.350
   24   2HB   CYS   4          HB1       CYS   4   5.687  -0.943  -2.275
   25    H    VAL   5           H        VAL   5   7.672  -1.789  -1.171
   26    HA   VAL   5           HA       VAL   5  10.332  -0.670  -1.764
   27    HB   VAL   5           HB       VAL   5   9.397  -3.569  -1.738
   28   1HG1  VAL   5          1HG1      VAL   5  12.163  -2.292  -1.397
   29   2HG1  VAL   5          2HG1      VAL   5  11.800  -4.024  -1.300
   30   3HG1  VAL   5          3HG1      VAL   5  11.632  -3.179  -2.839
   31   1HG2  VAL   5          1HG2      VAL   5   8.940  -2.621   0.466
   32   2HG2  VAL   5          2HG2      VAL   5  10.382  -3.632   0.555
   33   3HG2  VAL   5          3HG2      VAL   5  10.547  -1.864   0.509
   34    H    ARG   6           H        ARG   6   8.896   0.398  -3.515
   35    HA   ARG   6           HA       ARG   6   8.418   0.763  -5.745
   36   1HB   ARG   6          HB2       ARG   6  10.226  -1.445  -6.460
   37   2HB   ARG   6          HB1       ARG   6   9.777  -0.175  -7.386
   38   1HG   ARG   6          HG2       ARG   6  11.570  -0.061  -5.140
   39   2HG   ARG   6          HG1       ARG   6  11.996   0.113  -6.707
   40   1HD   ARG   6          HD2       ARG   6  11.761   2.270  -6.531
   41   2HD   ARG   6          HD1       ARG   6  10.186   2.073  -6.146
   42    HE   ARG   6           HE       ARG   6  12.365   2.248  -4.233
   43   1HH1  ARG   6          2HH2      ARG   6   8.943   2.776  -4.774
   44   2HH1  ARG   6          1HH2      ARG   6   8.579   2.712  -3.082
   45   1HH2  ARG   6          2HH1      ARG   6  11.729   1.876  -2.067
   46   2HH2  ARG   6          1HH1      ARG   6  10.095   2.222  -1.609
   47    H    GLY   7           H        GLY   7   6.556  -0.180  -4.518
   48   1HA   GLY   7          HA3       GLY   7   4.420  -0.912  -5.182
   49   2HA   GLY   7          HA2       GLY   7   5.142  -1.817  -6.504
   50    H    ARG   8           H        ARG   8   6.814  -2.912  -3.791
   51    HA   ARG   8           HA       ARG   8   4.752  -4.970  -3.116
   52   1HB   ARG   8          HB2       ARG   8   7.679  -5.140  -3.506
   53   2HB   ARG   8          HB1       ARG   8   6.880  -6.255  -2.620
   54   1HG   ARG   8          HG2       ARG   8   7.119  -7.179  -4.697
   55   2HG   ARG   8          HG1       ARG   8   5.551  -6.734  -4.592
   56   1HD   ARG   8          HD2       ARG   8   6.588  -6.268  -6.737
   57   2HD   ARG   8          HD1       ARG   8   5.861  -4.978  -6.046
   58    HE   ARG   8           HE       ARG   8   7.823  -3.852  -6.138
   59   1HH1  ARG   8          2HH2      ARG   8   8.561  -7.239  -6.562
   60   2HH1  ARG   8          1HH2      ARG   8  10.268  -6.969  -6.441
   61   1HH2  ARG   8          2HH1      ARG   8  10.000  -3.612  -5.690
   62   2HH2  ARG   8          1HH1      ARG   8  11.068  -4.949  -5.956
   63    H    CYS   9           H        CYS   9   5.026  -5.822  -0.829
   64    HA   CYS   9           HA       CYS   9   6.788  -4.480   0.976
   65   1HB   CYS   9          HB2       CYS   9   4.412  -3.191   0.556
   66   2HB   CYS   9          HB1       CYS   9   4.152  -4.004   1.948
   67    HA   PRO  10           HA       PRO  10   6.093  -8.329   2.910
   68   1HB   PRO  10          HB2       PRO  10   6.659  -7.944   5.454
   69   2HB   PRO  10          HB1       PRO  10   7.792  -7.608   4.327
   70   1HG   PRO  10          HG2       PRO  10   6.075  -5.720   5.694
   71   2HG   PRO  10          HG1       PRO  10   7.673  -5.561   5.398
   72   1HD   PRO  10          HD2       PRO  10   5.851  -4.454   3.828
   73   2HD   PRO  10          HD1       PRO  10   7.329  -4.870   3.271
   74    H    SER  11           H        SER  11   5.091  -9.474   4.944
   75    HA   SER  11           HA       SER  11   3.159 -10.324   5.821
   76   1HB   SER  11          HB2       SER  11   3.806  -8.525   7.348
   77   2HB   SER  11          HB1       SER  11   2.831  -7.472   6.569
   78    HG   SER  11           HG       SER  11   1.089  -8.862   7.043
   79    H    GLY  12           H        GLY  12   2.873  -9.655   3.211
   80   1HA   GLY  12          HA3       GLY  12   1.370  -9.307   1.436
   81   2HA   GLY  12          HA2       GLY  12   0.164 -10.035   2.504
   82    H    MET  13           H        MET  13   1.896  -6.902   3.035
   83    HA   MET  13           HA       MET  13  -0.704  -5.529   3.246
   84   1HB   MET  13          HB2       MET  13   2.053  -4.460   3.290
   85   2HB   MET  13          HB1       MET  13   0.704  -3.607   3.636
   86   1HG   MET  13          HG2       MET  13   1.679  -5.833   5.173
   87   2HG   MET  13          HG1       MET  13   1.807  -4.267   5.620
   88   1HE   MET  13          HE1       MET  13   0.863  -6.351   7.665
   89   2HE   MET  13          HE2       MET  13   0.925  -4.609   8.023
   90   3HE   MET  13          HE3       MET  13  -0.550  -5.537   8.374
   91    H    CYS  14           H        CYS  14  -1.080  -3.515   2.009
   92    HA   CYS  14           HA       CYS  14  -0.420  -3.888  -0.885
   93   1HB   CYS  14          HB2       CYS  14  -2.819  -2.617   0.256
   94   2HB   CYS  14          HB1       CYS  14  -2.593  -3.145  -1.273
   95    H    CYS  15           H        CYS  15  -0.171  -1.949  -2.133
   96    HA   CYS  15           HA       CYS  15   0.968   0.298  -0.666
   97   1HB   CYS  15          HB2       CYS  15   0.762  -0.234  -3.564
   98   2HB   CYS  15          HB1       CYS  15   1.727   0.876  -2.854
   99    H    SER  16           H        SER  16  -0.100   2.134  -0.223
  100    HA   SER  16           HA       SER  16  -2.810   2.590  -1.117
  101   1HB   SER  16          HB2       SER  16  -2.725   4.264   0.499
  102   2HB   SER  16          HB1       SER  16  -1.742   3.111   1.111
  103    HG   SER  16           HG       SER  16  -0.870   5.105   1.345
  104    H    GLN  17           H        GLN  17  -3.297   5.146  -1.440
  105    HA   GLN  17           HA       GLN  17  -1.959   5.972  -3.856
  106   1HB   GLN  17          HB2       GLN  17  -3.514   7.732  -3.826
  107   2HB   GLN  17          HB1       GLN  17  -4.304   6.348  -3.465
  108   1HG   GLN  17          HG2       GLN  17  -4.291   6.952  -1.161
  109   2HG   GLN  17          HG1       GLN  17  -3.526   8.345  -1.537
  110   1HE2  GLN  17          1HE2      GLN  17  -4.690   9.897  -3.097
  111   2HE2  GLN  17          2HE2      GLN  17  -6.449   9.869  -2.937
  112   1HN   PFF  18          H         PFF  18  -0.945   6.167  -0.679
  113    HA   PFF  18           HA       PFF  18   0.888   8.428  -1.385
  114   1HBC  PFF  18          HB2       PFF  18  -0.074   7.321   1.259
  115   2HBC  PFF  18          HB3       PFF  18   1.595   7.800   1.137
  116    HD1  PFF  18           HD1      PFF  18   1.744   9.703   2.482
  117    HD2  PFF  18           HD2      PFF  18  -1.228   9.513  -0.640
  118    HE1  PFF  18           HE1      PFF  18   1.517  12.173   2.532
  119    HE2  PFF  18           HE2      PFF  18  -1.413  11.974  -0.612
  120    H    GLY  19           H        GLY  19   0.623   5.293  -2.175
  121   1HA   GLY  19          HA3       GLY  19   2.137   3.642  -2.665
  122   2HA   GLY  19          HA2       GLY  19   3.461   4.759  -2.290
  123   1HN   PFF  20          H         PFF  20   1.018   4.311   0.193
  124    HA   PFF  20           HA       PFF  20   3.210   3.307   1.906
  125   1HBC  PFF  20          HB2       PFF  20   1.030   5.184   2.181
  126   2HBC  PFF  20          HB3       PFF  20   0.876   3.938   3.402
  127    HD1  PFF  20           HD1      PFF  20   2.353   3.909   5.258
  128    HD2  PFF  20           HD2      PFF  20   3.285   6.358   1.861
  129    HE1  PFF  20           HE1      PFF  20   4.251   4.938   6.522
  130    HE2  PFF  20           HE2      PFF  20   5.131   7.427   3.124
  131    H    CYS  21           H        CYS  21   2.975   1.593   3.387
  132    HA   CYS  21           HA       CYS  21   1.558  -0.623   2.106
  133   1HB   CYS  21          HB2       CYS  21   3.565  -0.595   4.261
  134   2HB   CYS  21          HB1       CYS  21   3.048  -1.918   3.455
  135    H    GLY  22           H        GLY  22  -0.541  -1.139   2.801
  136   1HA   GLY  22          HA3       GLY  22  -0.588  -2.165   5.532
  137   2HA   GLY  22          HA2       GLY  22  -1.660  -0.782   5.337
  138    H    LYS  23           H        LYS  23  -2.974  -2.845   6.074
  139    HA   LYS  23           HA       LYS  23  -4.173  -4.171   3.667
  140   1HB   LYS  23          HB2       LYS  23  -4.000  -4.881   6.504
  141   2HB   LYS  23          HB1       LYS  23  -5.357  -5.324   5.710
  142   1HG   LYS  23          HG2       LYS  23  -4.176  -6.663   4.245
  143   2HG   LYS  23          HG1       LYS  23  -2.749  -5.999   4.681
  144   1HD   LYS  23          HD2       LYS  23  -2.696  -7.130   6.661
  145   2HD   LYS  23          HD1       LYS  23  -4.300  -7.434   6.623
  146   1HE   LYS  23          HE2       LYS  23  -3.119  -9.429   6.211
  147   2HE   LYS  23          HE1       LYS  23  -3.955  -9.008   4.872
  148   1HZ   LYS  23          HZ1       LYS  23  -1.963  -8.164   3.885
  149   2HZ   LYS  23          HZ2       LYS  23  -1.111  -8.592   5.225
  150   3HZ   LYS  23          HZ3       LYS  23  -1.796  -9.728   4.290
  151    H    GLY  24           H        GLY  24  -6.622  -4.358   3.866
  152   1HA   GLY  24          HA3       GLY  24  -8.714  -3.412   4.187
  153   2HA   GLY  24          HA2       GLY  24  -8.011  -2.289   5.361
  154    HA   PRO  25           HA       PRO  25  -9.907  -0.526   1.480
  155   1HB   PRO  25          HB2       PRO  25 -10.518   1.595   3.445
  156   2HB   PRO  25          HB1       PRO  25 -11.416   1.088   2.178
  157   1HG   PRO  25          HG2       PRO  25 -11.972   0.116   4.503
  158   2HG   PRO  25          HG1       PRO  25 -11.969  -0.911   3.233
  159   1HD   PRO  25          HD2       PRO  25  -9.919  -0.575   5.221
  160   2HD   PRO  25          HD1       PRO  25 -10.392  -1.966   4.508
  161    H    LYS  26           H        LYS  26  -8.450   2.121   3.511
  162    HA   LYS  26           HA       LYS  26  -7.743   3.583   1.238
  163   1HB   LYS  26          HB2       LYS  26  -6.725   3.668   4.013
  164   2HB   LYS  26          HB1       LYS  26  -6.268   4.767   2.895
  165   1HG   LYS  26          HG2       LYS  26  -9.060   4.511   3.173
  166   2HG   LYS  26          HG1       LYS  26  -8.311   5.122   4.490
  167   1HD   LYS  26          HD2       LYS  26  -8.983   6.898   3.059
  168   2HD   LYS  26          HD1       LYS  26  -7.353   6.846   3.140
  169   1HE   LYS  26          HE2       LYS  26  -7.445   5.505   1.069
  170   2HE   LYS  26          HE1       LYS  26  -9.004   5.976   0.953
  171   1HZ   LYS  26          HZ1       LYS  26  -6.734   7.739   0.923
  172   2HZ   LYS  26          HZ2       LYS  26  -7.621   7.362  -0.374
  173   3HZ   LYS  26          HZ3       LYS  26  -8.291   8.263   0.827
  174    H    TYR  27           H        TYR  27  -5.872   1.038   2.748
  175    HA   TYR  27           HA       TYR  27  -3.425   1.794   1.266
  176   1HB   TYR  27          HB2       TYR  27  -4.078  -0.509   2.987
  177   2HB   TYR  27          HB1       TYR  27  -2.620  -0.265   2.292
  178    HD1  TYR  27           HD1      TYR  27  -1.268   1.778   2.867
  179    HD2  TYR  27           HD2      TYR  27  -4.637   0.419   5.152
  180    HE1  TYR  27           HE1      TYR  27  -0.358   2.930   4.899
  181    HE2  TYR  27           HE2      TYR  27  -3.806   1.724   7.120
  182    HH   TYR  27           HH       TYR  27  -0.866   3.753   6.944
  183    H    CYS  28           H        CYS  28  -5.895  -0.819   1.250
  184    HA   CYS  28           HA       CYS  28  -4.453  -2.010  -1.005
  185   1HB   CYS  28          HB2       CYS  28  -5.324  -3.084   1.132
  186   2HB   CYS  28          HB1       CYS  28  -6.755  -3.179   0.350
  187    H    GLY  29           H        GLY  29  -7.650  -0.554  -0.459
  188   1HA   GLY  29          HA3       GLY  29  -8.297  -0.956  -3.369
  189   2HA   GLY  29          HA2       GLY  29  -9.450  -0.571  -2.096
  190    H    ARG  30           H        ARG  30  -7.629   1.454  -0.929
  191    HA   ARG  30           HA       ARG  30  -7.067   3.631  -0.949
  192   1HB   ARG  30          HB2       ARG  30  -7.005   3.378  -3.891
  193   2HB   ARG  30          HB1       ARG  30  -6.539   4.720  -3.085
  194   1HG   ARG  30          HG2       ARG  30  -4.729   3.705  -2.188
  195   2HG   ARG  30          HG1       ARG  30  -5.378   2.214  -2.341
  196   1HD   ARG  30          HD2       ARG  30  -5.102   2.897  -4.864
  197   2HD   ARG  30          HD1       ARG  30  -3.803   3.631  -4.199
  198    HE   ARG  30           HE       ARG  30  -2.803   1.586  -3.719
  199   1HH1  ARG  30          2HH2      ARG  30  -6.133   1.016  -4.761
  200   2HH1  ARG  30          1HH2      ARG  30  -6.024  -0.660  -4.335
  201   1HH2  ARG  30          2HH1      ARG  30  -2.857  -0.469  -3.046
  202   2HH2  ARG  30          1HH1      ARG  30  -4.226  -1.472  -3.390
  203   1HN   NH2  31          1HN       NH2  31 -10.605   4.407  -2.899
  204   2HN   NH2  31          2HN       NH2  31  -9.557   3.111  -3.489
  205    H1   NAG  32           H1       NAG  32  -7.931  14.432   1.114
  206    H2   NAG  32           H2       NAG  32  -6.954  12.554  -1.062
  207    H3   NAG  32           H3       NAG  32  -6.926  12.075   1.934
  208    H4   NAG  32           H4       NAG  32  -4.450  12.681   0.289
  209    H5   NAG  32           H5       NAG  32  -5.796  14.791   1.995
  210   1H6   NAG  32          1H6       NAG  32  -4.257  16.289   0.757
  211   2H6   NAG  32          2H6       NAG  32  -3.568  14.902  -0.091
  212   1H8   NAG  32          1H8       NAG  32 -11.207  11.534   0.911
  213   2H8   NAG  32          2H8       NAG  32 -11.092  11.045  -0.806
  214   3H8   NAG  32          3H8       NAG  32 -11.031   9.818   0.480
  215    HN2  NAG  32           HN2      NAG  32  -9.493  12.811  -0.332
  216    HO1  NAG  32           HO1      NAG  32  -7.760  15.527  -1.125
  217    HO3  NAG  32           HO3      NAG  32  -6.933  10.377   0.380
  218    HO6  NAG  32           HO6      NAG  32  -2.342  15.696   1.678
  219    H1   NAG  33           H1       NAG  33  -2.850  11.720   1.636
  220    H2   NAG  33           H2       NAG  33  -3.534  11.924   4.568
  221    H3   NAG  33           H3       NAG  33  -1.000  10.681   3.455
  222    H4   NAG  33           H4       NAG  33  -3.330   9.165   4.645
  223    H5   NAG  33           H5       NAG  33  -2.673   9.391   1.681
  224   1H6   NAG  33          1H6       NAG  33  -4.895   7.984   3.228
  225   2H6   NAG  33          2H6       NAG  33  -3.714   7.233   2.127
  226   1H8   NAG  33          1H8       NAG  33  -1.386  15.641   4.319
  227   2H8   NAG  33          2H8       NAG  33   0.311  15.223   4.663
  228   3H8   NAG  33          3H8       NAG  33  -0.278  15.167   2.988
  229    HN2  NAG  33           HN2      NAG  33  -2.544  13.916   3.159
  230    HO3  NAG  33           HO3      NAG  33  -0.901  11.424   5.527
  231    HO6  NAG  33           HO6      NAG  33  -5.231   9.399   1.220
  232    H1   NAG  34           H1       NAG  34  -1.601   8.229   5.868
  233    H2   NAG  34           H2       NAG  34   0.063   6.176   4.359
  234    H3   NAG  34           H3       NAG  34  -0.640   6.634   7.296
  235    H4   NAG  34           H4       NAG  34   1.943   6.841   5.678
  236    H5   NAG  34           H5       NAG  34   0.317   8.995   7.036
  237   1H6   NAG  34          1H6       NAG  34   1.966  10.505   6.066
  238   2H6   NAG  34          2H6       NAG  34   2.793   9.162   5.257
  239   1H8   NAG  34          1H8       NAG  34  -3.960   4.320   2.902
  240   2H8   NAG  34          2H8       NAG  34  -3.832   3.849   4.614
  241   3H8   NAG  34          3H8       NAG  34  -4.430   5.478   4.190
  242    HN2  NAG  34           HN2      NAG  34  -2.447   5.458   5.875
  243    HO4  NAG  34           HO4      NAG  34   2.599   7.649   7.850
  244    HO3  NAG  34           HO3      NAG  34   1.191   5.169   7.362
  245    HO6  NAG  34           HO6      NAG  34   3.752   9.928   7.258
  Start of MODEL    4
    1   1H    VAL   1           H1       VAL   1  11.633   5.338   5.545
    2   2H    VAL   1           H2       VAL   1  10.188   6.140   5.726
    3   3H    VAL   1           H3       VAL   1  10.510   5.305   4.364
    4    HA   VAL   1           HA       VAL   1  10.372   3.224   5.440
    5    HB   VAL   1           HB       VAL   1   9.839   3.082   7.850
    6   1HG1  VAL   1          1HG1      VAL   1  12.159   2.808   6.986
    7   2HG1  VAL   1          2HG1      VAL   1  12.475   4.527   7.322
    8   3HG1  VAL   1          3HG1      VAL   1  12.092   3.419   8.644
    9   1HG2  VAL   1          1HG2      VAL   1  10.239   4.965   9.341
   10   2HG2  VAL   1          2HG2      VAL   1  10.593   6.047   7.990
   11   3HG2  VAL   1          3HG2      VAL   1   8.952   5.397   8.212
   12    H    GLY   2           H        GLY   2   8.230   2.210   6.205
   13   1HA   GLY   2          HA3       GLY   2   5.926   2.094   6.183
   14   2HA   GLY   2          HA2       GLY   2   5.848   3.852   6.314
   15    H    GLU   3           H        GLU   3   7.257   4.509   3.949
   16    HA   GLU   3           HA       GLU   3   5.740   4.344   1.684
   17   1HB   GLU   3          HB2       GLU   3   7.835   4.664   0.556
   18   2HB   GLU   3          HB1       GLU   3   7.857   5.515   1.949
   19   1HG   GLU   3          HG2       GLU   3   9.102   3.643   2.937
   20   2HG   GLU   3          HG1       GLU   3   9.261   3.052   1.423
   21    H    CYS   4           H        CYS   4   5.673   2.972  -0.193
   22    HA   CYS   4           HA       CYS   4   5.906   0.155   0.463
   23   1HB   CYS   4          HB2       CYS   4   5.342   1.269  -2.204
   24   2HB   CYS   4          HB1       CYS   4   4.889  -0.187  -1.617
   25    H    VAL   5           H        VAL   5   6.961  -1.500  -0.836
   26    HA   VAL   5           HA       VAL   5   9.733  -0.765  -1.542
   27    HB   VAL   5           HB       VAL   5   8.411  -3.506  -1.460
   28   1HG1  VAL   5          1HG1      VAL   5  10.759  -4.288  -1.295
   29   2HG1  VAL   5          2HG1      VAL   5  10.523  -3.395  -2.798
   30   3HG1  VAL   5          3HG1      VAL   5  11.339  -2.616  -1.426
   31   1HG2  VAL   5          1HG2      VAL   5  10.032  -2.047   0.664
   32   2HG2  VAL   5          2HG2      VAL   5   8.328  -2.531   0.790
   33   3HG2  VAL   5          3HG2      VAL   5   9.588  -3.767   0.713
   34    H    ARG   6           H        ARG   6   8.308   0.545  -3.089
   35    HA   ARG   6           HA       ARG   6   7.811   1.134  -5.255
   36   1HB   ARG   6          HB2       ARG   6  10.273  -0.465  -5.477
   37   2HB   ARG   6          HB1       ARG   6   9.648   0.300  -6.778
   38   1HG   ARG   6          HG2       ARG   6  11.399   1.544  -5.615
   39   2HG   ARG   6          HG1       ARG   6  10.014   2.378  -5.848
   40   1HD   ARG   6          HD2       ARG   6   9.402   2.091  -3.616
   41   2HD   ARG   6          HD1       ARG   6  10.668   1.092  -3.358
   42    HE   ARG   6           HE       ARG   6  11.864   3.420  -4.050
   43   1HH1  ARG   6          2HH1      ARG   6   9.581   2.452  -1.544
   44   2HH1  ARG   6          1HH1      ARG   6  10.161   3.648  -0.433
   45   1HH2  ARG   6          2HH2      ARG   6  12.532   4.966  -2.435
   46   2HH2  ARG   6          1HH2      ARG   6  11.722   4.979  -0.904
   47    H    GLY   7           H        GLY   7   6.291  -0.741  -4.312
   48   1HA   GLY   7          HA3       GLY   7   4.356  -1.459  -5.896
   49   2HA   GLY   7          HA2       GLY   7   5.554  -2.521  -6.631
   50    H    ARG   8           H        ARG   8   6.592  -2.997  -3.584
   51    HA   ARG   8           HA       ARG   8   4.305  -4.722  -2.751
   52   1HB   ARG   8          HB2       ARG   8   7.008  -5.491  -3.543
   53   2HB   ARG   8          HB1       ARG   8   6.416  -6.237  -2.217
   54   1HG   ARG   8          HG2       ARG   8   5.368  -6.368  -4.883
   55   2HG   ARG   8          HG1       ARG   8   5.928  -7.613  -3.987
   56   1HD   ARG   8          HD2       ARG   8   3.392  -6.301  -3.743
   57   2HD   ARG   8          HD1       ARG   8   3.664  -7.888  -4.015
   58    HE   ARG   8           HE       ARG   8   4.594  -7.853  -1.605
   59   1HH1  ARG   8          2HH2      ARG   8   1.641  -6.344  -2.803
   60   2HH1  ARG   8          1HH2      ARG   8   0.892  -6.398  -1.242
   61   1HH2  ARG   8          2HH1      ARG   8   3.552  -7.716   0.414
   62   2HH2  ARG   8          1HH1      ARG   8   1.921  -7.137   0.489
   63    H    CYS   9           H        CYS   9   5.066  -5.868  -0.617
   64    HA   CYS   9           HA       CYS   9   6.692  -4.507   1.240
   65   1HB   CYS   9          HB2       CYS   9   3.912  -3.766   1.011
   66   2HB   CYS   9          HB1       CYS   9   4.333  -4.219   2.522
   67    HA   PRO  10           HA       PRO  10   6.386  -8.375   3.300
   68   1HB   PRO  10          HB2       PRO  10   5.090  -7.183   5.662
   69   2HB   PRO  10          HB1       PRO  10   6.382  -8.180   5.594
   70   1HG   PRO  10          HG2       PRO  10   6.835  -5.664   5.904
   71   2HG   PRO  10          HG1       PRO  10   7.788  -6.479   4.857
   72   1HD   PRO  10          HD2       PRO  10   5.504  -4.827   4.224
   73   2HD   PRO  10          HD1       PRO  10   6.935  -4.875   3.438
   74    H    SER  11           H        SER  11   5.000  -9.853   4.819
   75    HA   SER  11           HA       SER  11   3.257 -11.323   3.645
   76   1HB   SER  11          HB2       SER  11   2.906 -10.594   6.475
   77   2HB   SER  11          HB1       SER  11   2.673 -12.054   5.779
   78    HG   SER  11           HG       SER  11   4.671 -12.038   6.783
   79    H    GLY  12           H        GLY  12   1.752 -10.513   2.270
   80   1HA   GLY  12          HA3       GLY  12  -0.358  -9.828   1.588
   81   2HA   GLY  12          HA2       GLY  12  -0.895 -10.228   3.221
   82    H    MET  13           H        MET  13   1.563  -7.707   2.738
   83    HA   MET  13           HA       MET  13  -0.370  -5.607   3.571
   84   1HB   MET  13          HB2       MET  13   2.470  -5.398   2.759
   85   2HB   MET  13          HB1       MET  13   1.581  -4.220   3.458
   86   1HG   MET  13          HG2       MET  13   2.170  -6.700   4.783
   87   2HG   MET  13          HG1       MET  13   3.099  -5.369   4.965
   88   1HE   MET  13          HE1       MET  13   2.775  -3.447   6.544
   89   2HE   MET  13          HE2       MET  13   1.529  -2.895   5.402
   90   3HE   MET  13          HE3       MET  13   1.179  -2.956   7.144
   91    H    CYS  14           H        CYS  14  -0.540  -3.628   2.251
   92    HA   CYS  14           HA       CYS  14  -0.170  -4.012  -0.684
   93   1HB   CYS  14          HB2       CYS  14  -2.662  -2.931   0.404
   94   2HB   CYS  14          HB1       CYS  14  -2.377  -3.559  -1.077
   95    H    CYS  15           H        CYS  15  -0.545  -1.885  -1.852
   96    HA   CYS  15           HA       CYS  15   0.783   0.283  -0.293
   97   1HB   CYS  15          HB2       CYS  15   1.984  -0.865  -2.092
   98   2HB   CYS  15          HB1       CYS  15   0.875  -0.357  -3.179
   99    H    SER  16           H        SER  16  -0.036   2.385  -0.327
  100    HA   SER  16           HA       SER  16  -2.789   2.699  -1.303
  101   1HB   SER  16          HB2       SER  16  -2.801   4.528   0.149
  102   2HB   SER  16          HB1       SER  16  -1.911   3.415   0.947
  103    HG   SER  16           HG       SER  16  -0.924   5.363   1.122
  104    H    GLN  17           H        GLN  17  -3.421   4.997  -2.105
  105    HA   GLN  17           HA       GLN  17  -1.959   5.674  -4.460
  106   1HB   GLN  17          HB2       GLN  17  -3.755   7.456  -2.910
  107   2HB   GLN  17          HB1       GLN  17  -3.394   7.579  -4.499
  108   1HG   GLN  17          HG2       GLN  17  -5.389   6.700  -4.731
  109   2HG   GLN  17          HG1       GLN  17  -4.575   5.298  -4.534
  110   1HE2  GLN  17          1HE2      GLN  17  -7.405   6.469  -3.731
  111   2HE2  GLN  17          2HE2      GLN  17  -7.532   5.692  -2.154
  112   1HN   PFF  18          H         PFF  18  -1.215   6.299  -1.171
  113    HA   PFF  18           HA       PFF  18   0.264   8.797  -1.820
  114   1HBC  PFF  18          HB2       PFF  18  -0.320   7.563   0.887
  115   2HBC  PFF  18          HB3       PFF  18   0.253   9.194   0.539
  116    HD1  PFF  18           HD1      PFF  18  -1.284  10.724  -0.877
  117    HD2  PFF  18           HD2      PFF  18  -2.675   7.041   0.858
  118    HE1  PFF  18           HE1      PFF  18  -3.637  11.408  -1.297
  119    HE2  PFF  18           HE2      PFF  18  -5.010   7.692   0.378
  120    H    GLY  19           H        GLY  19   0.834   5.569  -2.114
  121   1HA   GLY  19          HA3       GLY  19   2.857   4.513  -2.451
  122   2HA   GLY  19          HA2       GLY  19   3.701   6.002  -2.009
  123   1HN   PFF  20          H         PFF  20   1.400   4.811   0.345
  124    HA   PFF  20           HA       PFF  20   3.643   3.790   2.046
  125   1HBC  PFF  20          HB2       PFF  20   1.010   5.167   2.631
  126   2HBC  PFF  20          HB3       PFF  20   1.826   4.195   3.842
  127    HD1  PFF  20           HD1      PFF  20   1.996   7.350   1.943
  128    HD2  PFF  20           HD2      PFF  20   3.926   4.831   4.845
  129    HE1  PFF  20           HE1      PFF  20   3.471   9.235   2.598
  130    HE2  PFF  20           HE2      PFF  20   5.500   6.675   5.405
  131    H    CYS  21           H        CYS  21   3.229   1.933   3.357
  132    HA   CYS  21           HA       CYS  21   1.334   0.068   2.039
  133   1HB   CYS  21          HB2       CYS  21   3.728  -0.314   3.678
  134   2HB   CYS  21          HB1       CYS  21   2.693  -1.548   3.409
  135    H    GLY  22           H        GLY  22  -0.176  -1.206   3.077
  136   1HA   GLY  22          HA3       GLY  22  -0.253  -1.521   5.943
  137   2HA   GLY  22          HA2       GLY  22  -1.469  -0.362   5.408
  138    H    LYS  23           H        LYS  23  -3.022  -1.937   6.170
  139    HA   LYS  23           HA       LYS  23  -3.743  -3.910   4.060
  140   1HB   LYS  23          HB2       LYS  23  -4.092  -4.281   6.990
  141   2HB   LYS  23          HB1       LYS  23  -4.757  -5.245   5.851
  142   1HG   LYS  23          HG2       LYS  23  -2.593  -5.912   5.133
  143   2HG   LYS  23          HG1       LYS  23  -1.910  -4.919   6.235
  144   1HD   LYS  23          HD2       LYS  23  -2.924  -6.223   7.988
  145   2HD   LYS  23          HD1       LYS  23  -3.505  -7.248   6.857
  146   1HE   LYS  23          HE2       LYS  23  -0.680  -6.773   7.166
  147   2HE   LYS  23          HE1       LYS  23  -1.438  -7.988   7.952
  148   1HZ   LYS  23          HZ1       LYS  23  -1.945  -9.047   5.961
  149   2HZ   LYS  23          HZ2       LYS  23  -1.438  -7.765   5.084
  150   3HZ   LYS  23          HZ3       LYS  23  -0.342  -8.679   5.895
  151    H    GLY  24           H        GLY  24  -6.235  -4.275   4.233
  152   1HA   GLY  24          HA3       GLY  24  -8.384  -3.385   4.344
  153   2HA   GLY  24          HA2       GLY  24  -7.785  -2.146   5.457
  154    HA   PRO  25           HA       PRO  25  -9.626  -0.700   1.450
  155   1HB   PRO  25          HB2       PRO  25 -10.073   1.636   3.203
  156   2HB   PRO  25          HB1       PRO  25 -11.022   1.070   2.000
  157   1HG   PRO  25          HG2       PRO  25 -11.580   0.327   4.406
  158   2HG   PRO  25          HG1       PRO  25 -11.645  -0.806   3.232
  159   1HD   PRO  25          HD2       PRO  25  -9.556  -0.402   5.164
  160   2HD   PRO  25          HD1       PRO  25 -10.092  -1.822   4.563
  161    H    LYS  26           H        LYS  26  -8.083   2.216   2.981
  162    HA   LYS  26           HA       LYS  26  -7.346   3.165   0.438
  163   1HB   LYS  26          HB2       LYS  26  -6.368   3.954   3.110
  164   2HB   LYS  26          HB1       LYS  26  -6.081   4.803   1.744
  165   1HG   LYS  26          HG2       LYS  26  -8.456   5.053   1.445
  166   2HG   LYS  26          HG1       LYS  26  -8.691   4.290   2.870
  167   1HD   LYS  26          HD2       LYS  26  -8.873   6.549   3.322
  168   2HD   LYS  26          HD1       LYS  26  -7.431   6.085   3.930
  169   1HE   LYS  26          HE2       LYS  26  -6.309   7.012   2.076
  170   2HE   LYS  26          HE1       LYS  26  -7.733   7.385   1.369
  171   1HZ   LYS  26          HZ1       LYS  26  -6.738   8.563   3.815
  172   2HZ   LYS  26          HZ2       LYS  26  -6.878   9.367   2.415
  173   3HZ   LYS  26          HZ3       LYS  26  -8.216   8.905   3.125
  174    H    TYR  27           H        TYR  27  -5.575   0.907   2.396
  175    HA   TYR  27           HA       TYR  27  -3.063   1.392   0.878
  176   1HB   TYR  27          HB2       TYR  27  -3.774  -0.613   2.924
  177   2HB   TYR  27          HB1       TYR  27  -2.294  -0.447   2.253
  178    HD1  TYR  27           HD1      TYR  27  -1.037   1.760   2.501
  179    HD2  TYR  27           HD2      TYR  27  -4.455   0.643   4.863
  180    HE1  TYR  27           HE1      TYR  27  -0.263   3.263   4.339
  181    HE2  TYR  27           HE2      TYR  27  -3.728   2.239   6.644
  182    HH   TYR  27           HH       TYR  27  -0.684   4.049   6.433
  183    H    CYS  28           H        CYS  28  -5.599  -1.135   1.223
  184    HA   CYS  28           HA       CYS  28  -4.249  -2.619  -0.920
  185   1HB   CYS  28          HB2       CYS  28  -5.087  -3.422   1.360
  186   2HB   CYS  28          HB1       CYS  28  -6.516  -3.611   0.593
  187    H    GLY  29           H        GLY  29  -7.495  -1.227  -0.405
  188   1HA   GLY  29          HA3       GLY  29  -8.198  -1.940  -3.230
  189   2HA   GLY  29          HA2       GLY  29  -9.318  -1.417  -1.976
  190    H    ARG  30           H        ARG  30  -7.226   0.727  -1.251
  191    HA   ARG  30           HA       ARG  30  -6.662   2.885  -1.663
  192   1HB   ARG  30          HB2       ARG  30  -6.869   1.990  -4.452
  193   2HB   ARG  30          HB1       ARG  30  -6.602   3.566  -4.117
  194   1HG   ARG  30          HG2       ARG  30  -4.619   3.132  -3.080
  195   2HG   ARG  30          HG1       ARG  30  -5.001   1.565  -2.827
  196   1HD   ARG  30          HD2       ARG  30  -4.888   1.727  -5.483
  197   2HD   ARG  30          HD1       ARG  30  -3.649   2.676  -5.002
  198    HE   ARG  30           HE       ARG  30  -2.564   0.879  -3.969
  199   1HH1  ARG  30          2HH2      ARG  30  -5.592  -0.258  -5.369
  200   2HH1  ARG  30          1HH2      ARG  30  -5.491  -1.742  -4.481
  201   1HH2  ARG  30          2HH1      ARG  30  -2.672  -0.890  -2.734
  202   2HH2  ARG  30          1HH1      ARG  30  -3.888  -2.086  -3.032
  203   1HN   NH2  31          1HN       NH2  31  -9.498   2.156  -3.764
  204   2HN   NH2  31          2HN       NH2  31 -10.422   3.542  -3.174
  205    H1   NAG  32           H1       NAG  32  -8.496  14.652   1.697
  206    H2   NAG  32           H2       NAG  32  -8.067  11.745   0.939
  207    H3   NAG  32           H3       NAG  32  -7.010  13.066   3.464
  208    H4   NAG  32           H4       NAG  32  -5.505  12.237   0.947
  209    H5   NAG  32           H5       NAG  32  -6.190  14.972   2.075
  210   1H6   NAG  32          1H6       NAG  32  -3.965  15.206   1.364
  211   2H6   NAG  32          2H6       NAG  32  -4.919  15.725  -0.029
  212   1H8   NAG  32          1H8       NAG  32 -11.057  11.720   4.528
  213   2H8   NAG  32          2H8       NAG  32 -11.949  11.740   2.974
  214   3H8   NAG  32          3H8       NAG  32 -11.559  10.194   3.762
  215    HN2  NAG  32           HN2      NAG  32  -9.936  13.103   2.774
  216    HO1  NAG  32           HO1      NAG  32  -8.745  14.312  -0.730
  217    HO3  NAG  32           HO3      NAG  32  -5.869  11.163   3.564
  218    HO6  NAG  32           HO6      NAG  32  -4.459  13.790  -1.017
  219    H1   NAG  33           H1       NAG  33  -3.830  11.158   1.826
  220    H2   NAG  33           H2       NAG  33  -2.169  12.916   3.621
  221    H3   NAG  33           H3       NAG  33  -1.210  10.407   2.235
  222    H4   NAG  33           H4       NAG  33  -1.845  10.529   5.189
  223    H5   NAG  33           H5       NAG  33  -3.619   9.232   3.078
  224   1H6   NAG  33          1H6       NAG  33  -3.989   9.651   6.082
  225   2H6   NAG  33          2H6       NAG  33  -3.559   8.113   5.318
  226   1H8   NAG  33          1H8       NAG  33   0.257  13.717  -0.817
  227   2H8   NAG  33          2H8       NAG  33  -1.448  13.274  -1.104
  228   3H8   NAG  33          3H8       NAG  33  -1.051  14.768  -0.209
  229    HN2  NAG  33           HN2      NAG  33  -2.669  13.338   0.985
  230    HO3  NAG  33           HO3      NAG  33   0.327  11.829   2.872
  231    HO6  NAG  33           HO6      NAG  33  -5.779   8.470   5.888
  232    H1   NAG  34           H1       NAG  34  -1.437   8.430   6.172
  233    H2   NAG  34           H2       NAG  34   0.282   6.746   4.298
  234    H3   NAG  34           H3       NAG  34  -0.330   6.494   7.277
  235    H4   NAG  34           H4       NAG  34   2.213   7.167   5.721
  236    H5   NAG  34           H5       NAG  34   0.516   8.795   7.638
  237   1H6   NAG  34          1H6       NAG  34   2.082  10.597   7.153
  238   2H6   NAG  34          2H6       NAG  34   2.962   9.589   5.993
  239   1H8   NAG  34          1H8       NAG  34  -3.363   4.131   3.114
  240   2H8   NAG  34          2H8       NAG  34  -3.822   4.831   4.688
  241   3H8   NAG  34          3H8       NAG  34  -4.132   5.736   3.180
  242    HN2  NAG  34           HN2      NAG  34  -2.106   5.605   5.714
  243    HO4  NAG  34           HO4      NAG  34   2.878   7.393   8.042
  244    HO3  NAG  34           HO3      NAG  34   1.549   5.113   6.943
  245    HO6  NAG  34           HO6      NAG  34   3.944   9.774   8.090
  Start of MODEL    5
    1   1H    VAL   1           H1       VAL   1   6.911  -0.053   5.092
    2   2H    VAL   1           H2       VAL   1   5.783  -0.245   3.989
    3   3H    VAL   1           H3       VAL   1   6.384  -1.586   4.733
    4    HA   VAL   1           HA       VAL   1   4.091  -0.840   5.455
    5    HB   VAL   1           HB       VAL   1   4.564  -1.107   7.894
    6   1HG1  VAL   1          1HG1      VAL   1   4.084  -2.977   6.338
    7   2HG1  VAL   1          2HG1      VAL   1   5.827  -3.188   6.050
    8   3HG1  VAL   1          3HG1      VAL   1   5.154  -3.449   7.665
    9   1HG2  VAL   1          1HG2      VAL   1   7.469  -1.518   6.997
   10   2HG2  VAL   1          2HG2      VAL   1   6.880  -0.170   7.995
   11   3HG2  VAL   1          3HG2      VAL   1   6.793  -1.825   8.602
   12    H    GLY   2           H        GLY   2   2.838   0.944   5.931
   13   1HA   GLY   2          HA3       GLY   2   2.395   3.161   6.449
   14   2HA   GLY   2          HA2       GLY   2   4.061   3.396   7.027
   15    H    GLU   3           H        GLU   3   5.706   2.962   5.214
   16    HA   GLU   3           HA       GLU   3   4.994   4.252   2.620
   17   1HB   GLU   3          HB2       GLU   3   7.388   3.828   2.212
   18   2HB   GLU   3          HB1       GLU   3   7.060   4.918   3.383
   19   1HG   GLU   3          HG2       GLU   3   8.838   3.812   4.200
   20   2HG   GLU   3          HG1       GLU   3   7.584   3.108   4.974
   21    H    CYS   4           H        CYS   4   5.410   3.039   0.580
   22    HA   CYS   4           HA       CYS   4   5.203   0.071   0.926
   23   1HB   CYS   4          HB2       CYS   4   5.133   1.596  -1.585
   24   2HB   CYS   4          HB1       CYS   4   4.776   0.016  -1.377
   25    H    VAL   5           H        VAL   5   6.624  -1.288  -0.119
   26    HA   VAL   5           HA       VAL   5   9.442  -0.458   0.115
   27    HB   VAL   5           HB       VAL   5   8.223  -3.211  -0.355
   28   1HG1  VAL   5          1HG1      VAL   5  10.595  -3.053  -1.112
   29   2HG1  VAL   5          2HG1      VAL   5  11.040  -2.325   0.449
   30   3HG1  VAL   5          3HG1      VAL   5  10.465  -4.001   0.371
   31   1HG2  VAL   5          1HG2      VAL   5   8.795  -3.576   2.035
   32   2HG2  VAL   5          2HG2      VAL   5   9.253  -1.865   2.178
   33   3HG2  VAL   5          3HG2      VAL   5   7.572  -2.311   1.845
   34    H    ARG   6           H        ARG   6   8.991   0.971  -1.666
   35    HA   ARG   6           HA       ARG   6   9.343   1.678  -3.835
   36   1HB   ARG   6          HB2       ARG   6  11.052  -0.731  -3.780
   37   2HB   ARG   6          HB1       ARG   6  11.027   0.288  -5.057
   38   1HG   ARG   6          HG2       ARG   6  12.867   0.810  -3.733
   39   2HG   ARG   6          HG1       ARG   6  11.799   2.043  -3.652
   40   1HD   ARG   6          HD2       ARG   6  11.744   0.132  -1.549
   41   2HD   ARG   6          HD1       ARG   6  12.970   1.211  -1.556
   42    HE   ARG   6           HE       ARG   6  10.831   2.818  -1.780
   43   1HH1  ARG   6          2HH2      ARG   6  11.895   0.572   0.729
   44   2HH1  ARG   6          1HH2      ARG   6  10.896   1.349   1.911
   45   1HH2  ARG   6          2HH1      ARG   6   9.413   3.527  -0.240
   46   2HH2  ARG   6          1HH1      ARG   6   9.552   2.944   1.386
   47    H    GLY   7           H        GLY   7   7.083   0.480  -3.319
   48   1HA   GLY   7          HA3       GLY   7   5.219   0.305  -4.900
   49   2HA   GLY   7          HA2       GLY   7   6.234  -0.673  -5.957
   50    H    ARG   8           H        ARG   8   7.007  -2.144  -3.132
   51    HA   ARG   8           HA       ARG   8   4.596  -3.936  -3.221
   52   1HB   ARG   8          HB2       ARG   8   7.135  -4.607  -3.777
   53   2HB   ARG   8          HB1       ARG   8   7.101  -4.940  -2.179
   54   1HG   ARG   8          HG2       ARG   8   4.933  -6.152  -2.832
   55   2HG   ARG   8          HG1       ARG   8   5.680  -6.240  -4.282
   56   1HD   ARG   8          HD2       ARG   8   7.520  -7.360  -3.260
   57   2HD   ARG   8          HD1       ARG   8   6.764  -7.280  -1.815
   58    HE   ARG   8           HE       ARG   8   5.922  -8.922  -4.056
   59   1HH1  ARG   8          2HH2      ARG   8   5.667  -8.378  -0.567
   60   2HH1  ARG   8          1HH2      ARG   8   5.006  -9.959  -0.312
   61   1HH2  ARG   8          2HH1      ARG   8   5.094 -10.963  -3.541
   62   2HH2  ARG   8          1HH1      ARG   8   4.700 -11.337  -1.896
   63    H    CYS   9           H        CYS   9   4.827  -5.346  -1.039
   64    HA   CYS   9           HA       CYS   9   6.040  -4.097   1.182
   65   1HB   CYS   9          HB2       CYS   9   3.399  -3.350   0.731
   66   2HB   CYS   9          HB1       CYS   9   3.362  -4.369   2.007
   67    HA   PRO  10           HA       PRO  10   6.108  -8.326   2.295
   68   1HB   PRO  10          HB2       PRO  10   4.974  -8.736   4.712
   69   2HB   PRO  10          HB1       PRO  10   6.466  -8.100   4.525
   70   1HG   PRO  10          HG2       PRO  10   4.014  -6.682   5.063
   71   2HG   PRO  10          HG1       PRO  10   5.493  -6.375   5.683
   72   1HD   PRO  10          HD2       PRO  10   4.569  -4.939   3.699
   73   2HD   PRO  10          HD1       PRO  10   6.169  -5.240   3.824
   74    H    SER  11           H        SER  11   5.020 -10.290   2.174
   75    HA   SER  11           HA       SER  11   2.711 -10.090   0.495
   76   1HB   SER  11          HB2       SER  11   3.960 -12.505   1.633
   77   2HB   SER  11          HB1       SER  11   2.899 -12.478   0.391
   78    HG   SER  11           HG       SER  11   5.243 -12.551  -0.021
   79    H    GLY  12           H        GLY  12   1.351  -9.047   1.913
   80   1HA   GLY  12          HA3       GLY  12  -0.934 -10.347   2.848
   81   2HA   GLY  12          HA2       GLY  12   0.152 -10.337   4.245
   82    H    MET  13           H        MET  13   1.320  -7.637   3.271
   83    HA   MET  13           HA       MET  13  -0.904  -5.827   4.113
   84   1HB   MET  13          HB2       MET  13   1.970  -5.350   3.566
   85   2HB   MET  13          HB1       MET  13   0.904  -4.178   3.959
   86   1HG   MET  13          HG2       MET  13   1.453  -6.391   5.704
   87   2HG   MET  13          HG1       MET  13   2.275  -4.983   5.804
   88   1HE   MET  13          HE1       MET  13   0.176  -4.936   9.068
   89   2HE   MET  13          HE2       MET  13   0.920  -6.346   8.282
   90   3HE   MET  13          HE3       MET  13   1.816  -4.813   8.391
   91    H    CYS  14           H        CYS  14  -0.999  -3.759   2.680
   92    HA   CYS  14           HA       CYS  14  -0.692  -4.440  -0.204
   93   1HB   CYS  14          HB2       CYS  14  -3.024  -2.999   0.830
   94   2HB   CYS  14          HB1       CYS  14  -2.850  -3.778  -0.595
   95    H    CYS  15           H        CYS  15  -0.931  -2.390  -1.568
   96    HA   CYS  15           HA       CYS  15   0.357  -0.054  -0.207
   97   1HB   CYS  15          HB2       CYS  15   1.880  -1.372  -1.548
   98   2HB   CYS  15          HB1       CYS  15   0.921  -1.231  -2.863
   99    H    SER  16           H        SER  16  -0.420   1.961  -0.705
  100    HA   SER  16           HA       SER  16  -2.660   2.194  -2.636
  101   1HB   SER  16          HB2       SER  16  -3.074   4.242  -1.667
  102   2HB   SER  16          HB1       SER  16  -2.790   3.246  -0.404
  103    HG   SER  16           HG       SER  16  -1.669   4.960   0.130
  104    H    GLN  17           H        GLN  17  -2.528   3.636  -4.392
  105    HA   GLN  17           HA       GLN  17  -0.013   3.942  -5.660
  106   1HB   GLN  17          HB2       GLN  17  -1.306   5.315  -7.205
  107   2HB   GLN  17          HB1       GLN  17  -1.869   3.798  -6.980
  108   1HG   GLN  17          HG2       GLN  17  -3.042   5.719  -5.295
  109   2HG   GLN  17          HG1       GLN  17  -3.396   5.916  -6.877
  110   1HE2  GLN  17          1HE2      GLN  17  -5.259   4.918  -7.613
  111   2HE2  GLN  17          2HE2      GLN  17  -5.849   3.439  -6.870
  112   1HN   PFF  18          H         PFF  18  -0.924   5.635  -2.972
  113    HA   PFF  18           HA       PFF  18   0.527   8.112  -3.674
  114   1HBC  PFF  18          HB2       PFF  18  -0.637   7.055  -1.091
  115   2HBC  PFF  18          HB3       PFF  18   0.037   8.669  -1.303
  116    HD1  PFF  18           HD1      PFF  18  -1.084  10.023  -3.371
  117    HD2  PFF  18           HD2      PFF  18  -2.937   6.703  -1.340
  118    HE1  PFF  18           HE1      PFF  18  -3.247  10.546  -4.477
  119    HE2  PFF  18           HE2      PFF  18  -5.091   7.225  -2.456
  120    H    GLY  19           H        GLY  19   1.420   4.921  -2.978
  121   1HA   GLY  19          HA3       GLY  19   3.636   4.184  -2.723
  122   2HA   GLY  19          HA2       GLY  19   4.148   5.808  -2.245
  123   1HN   PFF  20          H         PFF  20   1.308   4.609  -0.603
  124    HA   PFF  20           HA       PFF  20   2.935   4.168   1.836
  125   1HBC  PFF  20          HB2       PFF  20   0.141   5.270   1.422
  126   2HBC  PFF  20          HB3       PFF  20   0.959   5.114   2.967
  127    HD1  PFF  20           HD1      PFF  20   3.623   6.168   2.524
  128    HD2  PFF  20           HD2      PFF  20  -0.128   7.578   0.966
  129    HE1  PFF  20           HE1      PFF  20   4.479   8.495   2.577
  130    HE2  PFF  20           HE2      PFF  20   0.765   9.889   0.922
  131    H    CYS  21           H        CYS  21   2.261   2.462   3.279
  132    HA   CYS  21           HA       CYS  21   0.389   0.493   2.015
  133   1HB   CYS  21          HB2       CYS  21   2.089  -0.683   1.348
  134   2HB   CYS  21          HB1       CYS  21   3.179   0.297   2.067
  135    H    GLY  22           H        GLY  22  -0.410  -1.147   3.173
  136   1HA   GLY  22          HA3       GLY  22  -0.044  -1.870   5.846
  137   2HA   GLY  22          HA2       GLY  22  -1.260  -0.569   5.850
  138    H    LYS  23           H        LYS  23  -2.349  -2.863   6.655
  139    HA   LYS  23           HA       LYS  23  -3.509  -4.175   4.254
  140   1HB   LYS  23          HB2       LYS  23  -2.662  -5.424   6.280
  141   2HB   LYS  23          HB1       LYS  23  -4.034  -4.968   7.039
  142   1HG   LYS  23          HG2       LYS  23  -5.352  -6.156   5.548
  143   2HG   LYS  23          HG1       LYS  23  -4.091  -6.399   4.538
  144   1HD   LYS  23          HD2       LYS  23  -3.063  -7.796   6.195
  145   2HD   LYS  23          HD1       LYS  23  -4.369  -7.591   7.155
  146   1HE   LYS  23          HE2       LYS  23  -4.507  -9.674   6.015
  147   2HE   LYS  23          HE1       LYS  23  -5.731  -8.697   5.553
  148   1HZ   LYS  23          HZ1       LYS  23  -3.298  -8.918   4.056
  149   2HZ   LYS  23          HZ2       LYS  23  -4.629  -9.842   3.713
  150   3HZ   LYS  23          HZ3       LYS  23  -4.671  -8.200   3.560
  151    H    GLY  24           H        GLY  24  -4.263  -1.530   5.851
  152   1HA   GLY  24          HA3       GLY  24  -7.082  -1.890   6.367
  153   2HA   GLY  24          HA2       GLY  24  -6.251  -0.332   6.313
  154    HA   PRO  25           HA       PRO  25  -9.274  -1.424   2.662
  155   1HB   PRO  25          HB2       PRO  25 -10.499   1.020   3.790
  156   2HB   PRO  25          HB1       PRO  25 -11.225  -0.212   3.002
  157   1HG   PRO  25          HG2       PRO  25 -11.304  -0.216   5.583
  158   2HG   PRO  25          HG1       PRO  25 -11.031  -1.636   4.824
  159   1HD   PRO  25          HD2       PRO  25  -9.106   0.053   6.129
  160   2HD   PRO  25          HD1       PRO  25  -9.123  -1.579   6.077
  161    H    LYS  26           H        LYS  26  -8.189   1.901   3.675
  162    HA   LYS  26           HA       LYS  26  -8.030   2.773   0.957
  163   1HB   LYS  26          HB2       LYS  26  -6.862   3.954   3.391
  164   2HB   LYS  26          HB1       LYS  26  -6.997   4.712   1.951
  165   1HG   LYS  26          HG2       LYS  26  -9.456   4.185   2.204
  166   2HG   LYS  26          HG1       LYS  26  -9.088   4.046   3.789
  167   1HD   LYS  26          HD2       LYS  26  -9.549   6.206   3.838
  168   2HD   LYS  26          HD1       LYS  26  -8.019   6.363   3.290
  169   1HE   LYS  26          HE2       LYS  26 -10.363   6.336   1.612
  170   2HE   LYS  26          HE1       LYS  26  -9.510   7.676   1.990
  171   1HZ   LYS  26          HZ1       LYS  26  -8.915   7.013  -0.154
  172   2HZ   LYS  26          HZ2       LYS  26  -7.639   6.809   0.817
  173   3HZ   LYS  26          HZ3       LYS  26  -8.586   5.498   0.349
  174    H    TYR  27           H        TYR  27  -5.804   0.831   2.724
  175    HA   TYR  27           HA       TYR  27  -3.523   1.558   0.943
  176   1HB   TYR  27          HB2       TYR  27  -3.851  -0.483   3.058
  177   2HB   TYR  27          HB1       TYR  27  -2.477  -0.242   2.210
  178    HD1  TYR  27           HD1      TYR  27  -1.473   2.185   2.250
  179    HD2  TYR  27           HD2      TYR  27  -4.251   0.608   5.121
  180    HE1  TYR  27           HE1      TYR  27  -0.607   3.782   3.968
  181    HE2  TYR  27           HE2      TYR  27  -3.458   2.298   6.796
  182    HH   TYR  27           HH       TYR  27  -0.967   4.696   5.998
  183    H    CYS  28           H        CYS  28  -5.849  -1.041   1.618
  184    HA   CYS  28           HA       CYS  28  -4.742  -2.636  -0.560
  185   1HB   CYS  28          HB2       CYS  28  -5.491  -3.255   1.819
  186   2HB   CYS  28          HB1       CYS  28  -6.961  -3.450   1.136
  187    H    GLY  29           H        GLY  29  -8.065  -1.415   0.189
  188   1HA   GLY  29          HA3       GLY  29  -8.885  -2.040  -2.618
  189   2HA   GLY  29          HA2       GLY  29  -9.956  -1.696  -1.264
  190    H    ARG  30           H        ARG  30  -7.787   0.583  -0.766
  191    HA   ARG  30           HA       ARG  30  -7.337   2.773  -1.316
  192   1HB   ARG  30          HB2       ARG  30  -8.789   2.296  -3.835
  193   2HB   ARG  30          HB1       ARG  30  -8.105   3.722  -3.427
  194   1HG   ARG  30          HG2       ARG  30  -6.448   2.949  -4.640
  195   2HG   ARG  30          HG1       ARG  30  -6.029   2.238  -3.230
  196   1HD   ARG  30          HD2       ARG  30  -7.722   0.599  -4.684
  197   2HD   ARG  30          HD1       ARG  30  -6.397   0.983  -5.559
  198    HE   ARG  30           HE       ARG  30  -6.491  -0.923  -3.516
  199   1HH1  ARG  30          2HH2      ARG  30  -4.198   1.533  -4.687
  200   2HH1  ARG  30          1HH2      ARG  30  -2.868   0.626  -4.047
  201   1HH2  ARG  30          2HH1      ARG  30  -4.735  -1.897  -2.741
  202   2HH2  ARG  30          1HH1      ARG  30  -3.159  -1.223  -2.996
  203   1HN   NH2  31          1HN       NH2  31 -10.706   1.880  -2.187
  204   2HN   NH2  31          2HN       NH2  31 -11.436   3.167  -1.221
  205    H1   NAG  32           H1       NAG  32  -9.395  12.714  -2.468
  206    H2   NAG  32           H2       NAG  32  -7.888  10.345  -3.605
  207    H3   NAG  32           H3       NAG  32  -7.891  11.230  -0.688
  208    H4   NAG  32           H4       NAG  32  -5.667  11.510  -2.776
  209    H5   NAG  32           H5       NAG  32  -7.509  13.601  -1.561
  210   1H6   NAG  32          1H6       NAG  32  -6.256  15.022  -3.382
  211   2H6   NAG  32          2H6       NAG  32  -4.918  13.903  -3.085
  212   1H8   NAG  32          1H8       NAG  32 -11.914   9.225  -1.260
  213   2H8   NAG  32          2H8       NAG  32 -11.747   8.505  -2.888
  214   3H8   NAG  32          3H8       NAG  32 -11.427   7.522  -1.444
  215    HN2  NAG  32           HN2      NAG  32 -10.495  10.536  -2.842
  216    HO1  NAG  32           HO1      NAG  32  -9.102  12.846  -4.928
  217    HO3  NAG  32           HO3      NAG  32  -7.549   8.981  -1.595
  218    HO6  NAG  32           HO6      NAG  32  -4.695  14.767  -1.115
  219    H1   NAG  33           H1       NAG  33  -4.215  10.485  -1.280
  220    H2   NAG  33           H2       NAG  33  -3.445  12.477   0.860
  221    H3   NAG  33           H3       NAG  33  -1.914   9.954   0.203
  222    H4   NAG  33           H4       NAG  33  -3.607  10.361   2.719
  223    H5   NAG  33           H5       NAG  33  -4.056   8.717   0.181
  224   1H6   NAG  33          1H6       NAG  33  -5.870   8.995   2.605
  225   2H6   NAG  33          2H6       NAG  33  -4.992   7.522   2.125
  226   1H8   NAG  33          1H8       NAG  33  -1.348  14.993  -2.458
  227   2H8   NAG  33          2H8       NAG  33  -0.248  13.721  -1.874
  228   3H8   NAG  33          3H8       NAG  33  -1.409  13.372  -3.197
  229    HN2  NAG  33           HN2      NAG  33  -1.572  11.692  -1.330
  230    HO3  NAG  33           HO3      NAG  33  -1.024  10.640   2.272
  231    HO6  NAG  33           HO6      NAG  33  -6.504   8.892   0.219
  232    H1   NAG  34           H1       NAG  34  -2.760   8.847   4.321
  233    H2   NAG  34           H2       NAG  34  -0.742   6.951   3.050
  234    H3   NAG  34           H3       NAG  34  -1.290   7.426   5.986
  235    H4   NAG  34           H4       NAG  34   1.124   8.078   4.184
  236    H5   NAG  34           H5       NAG  34  -0.905   9.786   5.695
  237   1H6   NAG  34          1H6       NAG  34   0.310  11.701   4.817
  238   2H6   NAG  34          2H6       NAG  34   1.444  10.651   3.955
  239   1H8   NAG  34          1H8       NAG  34  -4.928   5.415   3.381
  240   2H8   NAG  34          2H8       NAG  34  -4.499   4.499   1.907
  241   3H8   NAG  34          3H8       NAG  34  -4.016   3.879   3.513
  242    HN2  NAG  34           HN2      NAG  34  -3.036   6.001   4.698
  243    HO4  NAG  34           HO4      NAG  34   1.681   8.996   6.392
  244    HO3  NAG  34           HO3      NAG  34   0.818   6.339   5.888
  245    HO6  NAG  34           HO6      NAG  34   2.214  11.509   5.978
  Start of MODEL    6
    1   1H    VAL   1           H1       VAL   1   5.080   5.950   8.815
    2   2H    VAL   1           H2       VAL   1   3.858   5.797   7.691
    3   3H    VAL   1           H3       VAL   1   5.394   5.435   7.272
    4    HA   VAL   1           HA       VAL   1   5.506   3.557   8.631
    5    HB   VAL   1           HB       VAL   1   3.466   2.754   9.797
    6   1HG1  VAL   1          1HG1      VAL   1   3.793   4.109  11.773
    7   2HG1  VAL   1          2HG1      VAL   1   5.351   3.878  10.969
    8   3HG1  VAL   1          3HG1      VAL   1   4.496   5.433  10.835
    9   1HG2  VAL   1          1HG2      VAL   1   2.408   5.606   9.417
   10   2HG2  VAL   1          2HG2      VAL   1   1.713   4.135   8.697
   11   3HG2  VAL   1          3HG2      VAL   1   1.716   4.347  10.446
   12    H    GLY   2           H        GLY   2   5.239   1.681   7.454
   13   1HA   GLY   2          HA3       GLY   2   4.233   0.240   5.907
   14   2HA   GLY   2          HA2       GLY   2   2.930   1.397   5.652
   15    H    GLU   3           H        GLU   3   5.891   3.076   5.293
   16    HA   GLU   3           HA       GLU   3   5.834   3.605   2.599
   17   1HB   GLU   3          HB2       GLU   3   8.039   3.414   4.513
   18   2HB   GLU   3          HB1       GLU   3   8.320   3.844   2.962
   19   1HG   GLU   3          HG2       GLU   3   8.104   5.777   4.282
   20   2HG   GLU   3          HG1       GLU   3   6.871   5.705   3.213
   21    H    CYS   4           H        CYS   4   5.344   2.119   1.102
   22    HA   CYS   4           HA       CYS   4   6.466  -0.503   0.992
   23   1HB   CYS   4          HB2       CYS   4   5.272   1.094  -1.200
   24   2HB   CYS   4          HB1       CYS   4   5.448  -0.530  -1.188
   25    H    VAL   5           H        VAL   5   7.744  -1.405  -0.733
   26    HA   VAL   5           HA       VAL   5  10.026   0.236  -1.596
   27    HB   VAL   5           HB       VAL   5  10.214  -2.087  -0.811
   28   1HG1  VAL   5          1HG1      VAL   5   9.300  -3.037  -3.545
   29   2HG1  VAL   5          2HG1      VAL   5   9.843  -3.988  -2.162
   30   3HG1  VAL   5          3HG1      VAL   5   8.312  -3.112  -2.072
   31   1HG2  VAL   5          1HG2      VAL   5  11.368  -1.567  -3.579
   32   2HG2  VAL   5          2HG2      VAL   5  12.019  -0.957  -2.042
   33   3HG2  VAL   5          3HG2      VAL   5  11.994  -2.699  -2.368
   34    H    ARG   6           H        ARG   6   7.990   1.476  -2.446
   35    HA   ARG   6           HA       ARG   6   6.796   2.411  -4.141
   36   1HB   ARG   6          HB2       ARG   6   9.020   1.494  -5.859
   37   2HB   ARG   6          HB1       ARG   6   7.991   2.719  -6.185
   38   1HG   ARG   6          HG2       ARG   6   9.968   2.729  -4.089
   39   2HG   ARG   6          HG1       ARG   6  10.064   3.587  -5.476
   40   1HD   ARG   6          HD2       ARG   6   9.371   5.182  -4.063
   41   2HD   ARG   6          HD1       ARG   6   7.935   4.658  -4.638
   42    HE   ARG   6           HE       ARG   6   8.877   3.454  -2.190
   43   1HH1  ARG   6          2HH2      ARG   6   6.680   5.845  -3.535
   44   2HH1  ARG   6          1HH2      ARG   6   5.685   5.838  -2.117
   45   1HH2  ARG   6          2HH1      ARG   6   7.515   3.373  -0.503
   46   2HH2  ARG   6          1HH1      ARG   6   6.156   4.443  -0.409
   47    H    GLY   7           H        GLY   7   6.087  -0.030  -3.403
   48   1HA   GLY   7          HA3       GLY   7   3.842  -0.474  -4.813
   49   2HA   GLY   7          HA2       GLY   7   4.953  -1.412  -5.805
   50    H    ARG   8           H        ARG   8   6.442  -2.358  -3.264
   51    HA   ARG   8           HA       ARG   8   4.327  -4.149  -2.164
   52   1HB   ARG   8          HB2       ARG   8   6.301  -4.880  -3.859
   53   2HB   ARG   8          HB1       ARG   8   6.968  -5.252  -2.416
   54   1HG   ARG   8          HG2       ARG   8   5.971  -7.187  -3.035
   55   2HG   ARG   8          HG1       ARG   8   4.901  -6.539  -1.985
   56   1HD   ARG   8          HD2       ARG   8   4.628  -6.405  -4.853
   57   2HD   ARG   8          HD1       ARG   8   3.808  -7.451  -3.903
   58    HE   ARG   8           HE       ARG   8   3.290  -4.635  -4.208
   59   1HH1  ARG   8          2HH2      ARG   8   2.361  -7.463  -2.303
   60   2HH1  ARG   8          1HH2      ARG   8   1.232  -6.523  -1.386
   61   1HH2  ARG   8          2HH1      ARG   8   2.011  -3.536  -2.924
   62   2HH2  ARG   8          1HH1      ARG   8   1.041  -4.332  -1.731
   63    H    CYS   9           H        CYS   9   5.077  -5.459  -0.270
   64    HA   CYS   9           HA       CYS   9   6.525  -3.957   1.775
   65   1HB   CYS   9          HB2       CYS   9   3.667  -3.866   1.360
   66   2HB   CYS   9          HB1       CYS   9   4.070  -4.361   2.864
   67    HA   PRO  10           HA       PRO  10   6.567  -8.101   3.583
   68   1HB   PRO  10          HB2       PRO  10   5.895  -7.675   6.147
   69   2HB   PRO  10          HB1       PRO  10   7.378  -7.300   5.574
   70   1HG   PRO  10          HG2       PRO  10   5.152  -5.485   5.968
   71   2HG   PRO  10          HG1       PRO  10   6.711  -5.233   6.385
   72   1HD   PRO  10          HD2       PRO  10   5.819  -4.229   4.162
   73   2HD   PRO  10          HD1       PRO  10   7.346  -4.805   4.221
   74    H    SER  11           H        SER  11   5.086  -9.565   4.999
   75    HA   SER  11           HA       SER  11   3.387 -11.018   4.405
   76   1HB   SER  11          HB2       SER  11   2.344  -8.748   5.975
   77   2HB   SER  11          HB1       SER  11   1.583 -10.190   5.872
   78    HG   SER  11           HG       SER  11   2.901 -10.159   7.686
   79    H    GLY  12           H        GLY  12   3.749  -9.630   2.204
   80   1HA   GLY  12          HA3       GLY  12   2.856  -9.209   0.097
   81   2HA   GLY  12          HA2       GLY  12   1.457 -10.142   0.625
   82    H    MET  13           H        MET  13   1.972  -7.271   2.540
   83    HA   MET  13           HA       MET  13  -0.709  -6.689   2.298
   84   1HB   MET  13          HB2       MET  13   1.496  -4.883   3.079
   85   2HB   MET  13          HB1       MET  13  -0.078  -4.498   3.284
   86   1HG   MET  13          HG2       MET  13   1.068  -6.877   4.422
   87   2HG   MET  13          HG1       MET  13   1.010  -5.469   5.247
   88   1HE   MET  13          HE1       MET  13  -0.182  -8.451   6.008
   89   2HE   MET  13          HE2       MET  13  -0.042  -7.101   7.162
   90   3HE   MET  13          HE3       MET  13  -1.605  -7.922   6.931
   91    H    CYS  14           H        CYS  14  -1.775  -4.554   1.719
   92    HA   CYS  14           HA       CYS  14  -1.307  -4.171  -1.204
   93   1HB   CYS  14          HB2       CYS  14  -3.410  -2.885   0.380
   94   2HB   CYS  14          HB1       CYS  14  -3.366  -3.145  -1.232
   95    H    CYS  15           H        CYS  15  -0.641  -2.126  -2.027
   96    HA   CYS  15           HA       CYS  15   0.132  -0.060  -0.046
   97   1HB   CYS  15          HB2       CYS  15   1.043  -0.631  -2.793
   98   2HB   CYS  15          HB1       CYS  15   1.492   0.690  -1.944
   99    H    SER  16           H        SER  16  -0.935   1.907  -0.137
  100    HA   SER  16           HA       SER  16  -2.828   2.591  -2.272
  101   1HB   SER  16          HB2       SER  16  -2.682   4.780  -1.237
  102   2HB   SER  16          HB1       SER  16  -2.996   3.658  -0.093
  103    HG   SER  16           HG       SER  16  -1.455   4.808   0.848
  104    H    GLN  17           H        GLN  17  -2.281   4.205  -3.888
  105    HA   GLN  17           HA       GLN  17   0.188   3.435  -5.073
  106   1HB   GLN  17          HB2       GLN  17  -2.085   5.071  -5.913
  107   2HB   GLN  17          HB1       GLN  17  -0.750   5.011  -6.852
  108   1HG   GLN  17          HG2       GLN  17  -2.521   3.337  -7.344
  109   2HG   GLN  17          HG1       GLN  17  -0.992   2.771  -7.249
  110   1HE2  GLN  17          1HE2      GLN  17  -0.553   0.991  -5.904
  111   2HE2  GLN  17          2HE2      GLN  17  -1.596   0.649  -4.520
  112   1HN   PFF  18          H         PFF  18  -0.245   5.942  -2.923
  113    HA   PFF  18           HA       PFF  18   2.075   7.538  -3.695
  114   1HBC  PFF  18          HB2       PFF  18   0.982   6.917  -0.969
  115   2HBC  PFF  18          HB3       PFF  18   1.914   8.353  -1.419
  116    HD1  PFF  18           HD1      PFF  18   0.672   9.823  -3.337
  117    HD2  PFF  18           HD2      PFF  18  -1.316   7.001  -0.754
  118    HE1  PFF  18           HE1      PFF  18  -1.534  10.676  -4.091
  119    HE2  PFF  18           HE2      PFF  18  -3.516   7.841  -1.537
  120    H    GLY  19           H        GLY  19   1.639   4.296  -2.676
  121   1HA   GLY  19          HA3       GLY  19   3.197   2.625  -2.400
  122   2HA   GLY  19          HA2       GLY  19   4.494   3.814  -2.323
  123   1HN   PFF  20          H         PFF  20   1.498   3.402  -0.362
  124    HA   PFF  20           HA       PFF  20   3.178   2.865   2.041
  125   1HBC  PFF  20          HB2       PFF  20   0.596   4.449   1.875
  126   2HBC  PFF  20          HB3       PFF  20   1.642   4.199   3.262
  127    HD1  PFF  20           HD1      PFF  20   4.277   4.858   2.474
  128    HD2  PFF  20           HD2      PFF  20   0.604   6.711   1.261
  129    HE1  PFF  20           HE1      PFF  20   5.502   6.986   1.999
  130    HE2  PFF  20           HE2      PFF  20   1.820   8.857   0.930
  131    H    CYS  21           H        CYS  21   2.456   0.992   3.183
  132    HA   CYS  21           HA       CYS  21  -0.008  -0.210   2.053
  133   1HB   CYS  21          HB2       CYS  21   1.085  -2.295   2.472
  134   2HB   CYS  21          HB1       CYS  21   2.084  -1.339   1.602
  135    H    GLY  22           H        GLY  22  -1.140  -1.866   3.124
  136   1HA   GLY  22          HA3       GLY  22  -0.783  -2.825   5.644
  137   2HA   GLY  22          HA2       GLY  22  -1.660  -1.325   5.978
  138    H    LYS  23           H        LYS  23  -2.711  -3.737   6.721
  139    HA   LYS  23           HA       LYS  23  -4.572  -4.796   4.763
  140   1HB   LYS  23          HB2       LYS  23  -3.567  -5.983   6.726
  141   2HB   LYS  23          HB1       LYS  23  -4.634  -5.208   7.689
  142   1HG   LYS  23          HG2       LYS  23  -6.370  -6.153   6.144
  143   2HG   LYS  23          HG1       LYS  23  -5.195  -7.198   5.701
  144   1HD   LYS  23          HD2       LYS  23  -6.565  -8.168   7.368
  145   2HD   LYS  23          HD1       LYS  23  -5.039  -7.990   7.922
  146   1HE   LYS  23          HE2       LYS  23  -6.727  -7.382   9.545
  147   2HE   LYS  23          HE1       LYS  23  -5.655  -6.186   9.248
  148   1HZ   LYS  23          HZ1       LYS  23  -7.190  -5.091   7.872
  149   2HZ   LYS  23          HZ2       LYS  23  -8.264  -6.325   8.056
  150   3HZ   LYS  23          HZ3       LYS  23  -7.878  -5.358   9.334
  151    H    GLY  24           H        GLY  24  -5.201  -2.265   4.491
  152   1HA   GLY  24          HA3       GLY  24  -7.879  -2.050   5.785
  153   2HA   GLY  24          HA2       GLY  24  -6.747  -0.723   6.066
  154    HA   PRO  25           HA       PRO  25  -9.351  -0.685   2.023
  155   1HB   PRO  25          HB2       PRO  25 -11.102   1.272   2.687
  156   2HB   PRO  25          HB1       PRO  25 -11.411  -0.317   2.901
  157   1HG   PRO  25          HG2       PRO  25 -10.518   1.574   4.898
  158   2HG   PRO  25          HG1       PRO  25 -11.643   0.403   5.078
  159   1HD   PRO  25          HD2       PRO  25  -9.225  -0.018   5.935
  160   2HD   PRO  25          HD1       PRO  25 -10.064  -1.251   5.270
  161    H    LYS  26           H        LYS  26  -8.447   2.178   4.030
  162    HA   LYS  26           HA       LYS  26  -7.943   3.916   1.837
  163   1HB   LYS  26          HB2       LYS  26  -7.066   3.837   4.644
  164   2HB   LYS  26          HB1       LYS  26  -6.380   4.925   3.637
  165   1HG   LYS  26          HG2       LYS  26  -9.215   4.753   4.108
  166   2HG   LYS  26          HG1       LYS  26  -8.242   5.837   4.846
  167   1HD   LYS  26          HD2       LYS  26  -8.865   5.774   2.034
  168   2HD   LYS  26          HD1       LYS  26  -9.354   6.916   3.094
  169   1HE   LYS  26          HE2       LYS  26  -7.670   8.058   2.257
  170   2HE   LYS  26          HE1       LYS  26  -6.791   7.190   3.326
  171   1HZ   LYS  26          HZ1       LYS  26  -6.179   5.661   1.585
  172   2HZ   LYS  26          HZ2       LYS  26  -7.117   6.545   0.547
  173   3HZ   LYS  26          HZ3       LYS  26  -5.775   7.219   1.227
  174    H    TYR  27           H        TYR  27  -6.110   1.158   2.741
  175    HA   TYR  27           HA       TYR  27  -3.771   2.146   1.177
  176   1HB   TYR  27          HB2       TYR  27  -4.156  -0.227   2.887
  177   2HB   TYR  27          HB1       TYR  27  -2.830   0.021   1.967
  178    HD1  TYR  27           HD1      TYR  27  -1.858   2.577   2.305
  179    HD2  TYR  27           HD2      TYR  27  -3.916   0.166   5.207
  180    HE1  TYR  27           HE1      TYR  27  -0.411   3.504   4.100
  181    HE2  TYR  27           HE2      TYR  27  -2.662   1.350   7.035
  182    HH   TYR  27           HH       TYR  27  -0.168   3.792   6.300
  183    H    CYS  28           H        CYS  28  -6.012  -0.688   1.427
  184    HA   CYS  28           HA       CYS  28  -4.957  -1.688  -1.067
  185   1HB   CYS  28          HB2       CYS  28  -5.819  -2.877   1.017
  186   2HB   CYS  28          HB1       CYS  28  -7.306  -2.724   0.359
  187    H    GLY  29           H        GLY  29  -8.032  -0.172  -0.101
  188   1HA   GLY  29          HA3       GLY  29  -9.123  -0.262  -2.862
  189   2HA   GLY  29          HA2       GLY  29  -9.944   0.283  -1.402
  190    H    ARG  30           H        ARG  30  -7.618   1.868  -0.594
  191    HA   ARG  30           HA       ARG  30  -6.797   3.875  -0.518
  192   1HB   ARG  30          HB2       ARG  30  -5.491   4.578  -2.070
  193   2HB   ARG  30          HB1       ARG  30  -5.762   3.087  -2.679
  194   1HG   ARG  30          HG2       ARG  30  -7.259   5.228  -3.765
  195   2HG   ARG  30          HG1       ARG  30  -5.682   5.124  -4.175
  196   1HD   ARG  30          HD2       ARG  30  -7.764   3.273  -4.861
  197   2HD   ARG  30          HD1       ARG  30  -6.826   4.128  -5.889
  198    HE   ARG  30           HE       ARG  30  -4.910   2.745  -5.190
  199   1HH1  ARG  30          2HH2      ARG  30  -8.102   1.298  -4.815
  200   2HH1  ARG  30          1HH2      ARG  30  -7.402  -0.206  -4.315
  201   1HH2  ARG  30          2HH1      ARG  30  -4.166   0.893  -4.354
  202   2HH2  ARG  30          1HH1      ARG  30  -5.249  -0.426  -4.060
  203   1HN   NH2  31          1HN       NH2  31  -9.545   3.976  -2.789
  204   2HN   NH2  31          2HN       NH2  31 -10.120   5.514  -2.142
  205    H1   NAG  32           H1       NAG  32  -7.020  13.130  -3.312
  206    H2   NAG  32           H2       NAG  32  -6.100  10.832  -2.531
  207    H3   NAG  32           H3       NAG  32  -5.786  12.060   0.194
  208    H4   NAG  32           H4       NAG  32  -3.573  12.020  -1.877
  209    H5   NAG  32           H5       NAG  32  -4.671  14.399  -0.326
  210   1H6   NAG  32          1H6       NAG  32  -2.534  14.850  -1.316
  211   2H6   NAG  32          2H6       NAG  32  -3.765  15.678  -2.279
  212   1H8   NAG  32          1H8       NAG  32 -10.285  10.820  -1.341
  213   2H8   NAG  32          2H8       NAG  32 -10.007   9.719   0.030
  214   3H8   NAG  32          3H8       NAG  32  -9.835  11.477   0.264
  215    HN2  NAG  32           HN2      NAG  32  -8.328  12.384  -1.519
  216    HO1  NAG  32           HO1      NAG  32  -4.476  13.392  -3.669
  217    HO3  NAG  32           HO3      NAG  32  -5.927   9.827  -0.560
  218    HO6  NAG  32           HO6      NAG  32  -2.171  13.458  -2.870
  219    H1   NAG  33           H1       NAG  33  -2.161  10.800  -0.529
  220    H2   NAG  33           H2       NAG  33  -1.228  12.420   1.859
  221    H3   NAG  33           H3       NAG  33  -0.096   9.851   0.728
  222    H4   NAG  33           H4       NAG  33  -1.535  10.335   3.399
  223    H5   NAG  33           H5       NAG  33  -2.276   8.886   0.812
  224   1H6   NAG  33          1H6       NAG  33  -3.972   9.329   3.305
  225   2H6   NAG  33          2H6       NAG  33  -3.317   7.767   2.768
  226   1H8   NAG  33          1H8       NAG  33   1.368  14.334  -1.183
  227   2H8   NAG  33          2H8       NAG  33   2.021  12.707  -1.558
  228   3H8   NAG  33          3H8       NAG  33   1.032  13.576  -2.757
  229    HN2  NAG  33           HN2      NAG  33   0.890  12.638   0.574
  230    HO3  NAG  33           HO3      NAG  33   1.105  10.097   2.785
  231    HO6  NAG  33           HO6      NAG  33  -4.711   9.400   0.994
  232    H1   NAG  34           H1       NAG  34  -0.683   8.797   4.921
  233    H2   NAG  34           H2       NAG  34   0.306   6.314   3.503
  234    H3   NAG  34           H3       NAG  34   0.446   6.821   6.468
  235    H4   NAG  34           H4       NAG  34   2.586   6.713   4.245
  236    H5   NAG  34           H5       NAG  34   1.532   8.881   6.070
  237   1H6   NAG  34          1H6       NAG  34   3.839   9.219   6.153
  238   2H6   NAG  34          2H6       NAG  34   3.281  10.268   4.848
  239   1H8   NAG  34          1H8       NAG  34  -3.407   4.507   4.984
  240   2H8   NAG  34          2H8       NAG  34  -4.159   5.998   4.335
  241   3H8   NAG  34          3H8       NAG  34  -3.937   4.558   3.291
  242    HN2  NAG  34           HN2      NAG  34  -1.893   6.286   5.508
  243    HO4  NAG  34           HO4      NAG  34   3.993   6.491   5.781
  244    HO3  NAG  34           HO3      NAG  34   1.833   4.861   5.957
  245    HO6  NAG  34           HO6      NAG  34   4.843   7.875   4.703
  Start of MODEL    7
    1   1H    VAL   1           H1       VAL   1   8.437   6.241   5.994
    2   2H    VAL   1           H2       VAL   1   8.791   7.544   6.961
    3   3H    VAL   1           H3       VAL   1   7.588   7.561   5.819
    4    HA   VAL   1           HA       VAL   1   7.634   5.845   8.226
    5    HB   VAL   1           HB       VAL   1   5.707   7.230   9.036
    6   1HG1  VAL   1          1HG1      VAL   1   7.135   8.920   9.998
    7   2HG1  VAL   1          2HG1      VAL   1   8.014   7.387   9.919
    8   3HG1  VAL   1          3HG1      VAL   1   8.370   8.686   8.754
    9   1HG2  VAL   1          1HG2      VAL   1   5.162   8.437   6.885
   10   2HG2  VAL   1          2HG2      VAL   1   5.478   9.522   8.238
   11   3HG2  VAL   1          3HG2      VAL   1   6.714   9.292   6.996
   12    H    GLY   2           H        GLY   2   7.381   4.353   6.188
   13   1HA   GLY   2          HA3       GLY   2   5.766   2.467   6.514
   14   2HA   GLY   2          HA2       GLY   2   4.460   3.622   6.273
   15    H    GLU   3           H        GLU   3   7.234   4.069   4.227
   16    HA   GLU   3           HA       GLU   3   5.633   4.060   1.923
   17   1HB   GLU   3          HB2       GLU   3   8.551   4.108   2.276
   18   2HB   GLU   3          HB1       GLU   3   7.800   4.402   0.856
   19   1HG   GLU   3          HG2       GLU   3   8.249   6.467   1.683
   20   2HG   GLU   3          HG1       GLU   3   6.661   6.246   1.995
   21    H    CYS   4           H        CYS   4   5.780   2.813  -0.034
   22    HA   CYS   4           HA       CYS   4   6.037  -0.043   0.541
   23   1HB   CYS   4          HB2       CYS   4   5.398   1.157  -2.066
   24   2HB   CYS   4          HB1       CYS   4   4.998  -0.331  -1.522
   25    H    VAL   5           H        VAL   5   7.132  -1.558  -0.663
   26    HA   VAL   5           HA       VAL   5   9.847  -0.859  -1.561
   27    HB   VAL   5           HB       VAL   5   8.410  -3.553  -1.525
   28   1HG1  VAL   5          1HG1      VAL   5  10.722  -4.452  -1.629
   29   2HG1  VAL   5          2HG1      VAL   5  10.368  -3.485  -3.064
   30   3HG1  VAL   5          3HG1      VAL   5  11.365  -2.803  -1.760
   31   1HG2  VAL   5          1HG2      VAL   5   8.594  -2.683   0.762
   32   2HG2  VAL   5          2HG2      VAL   5   9.768  -3.980   0.509
   33   3HG2  VAL   5          3HG2      VAL   5  10.304  -2.287   0.494
   34    H    ARG   6           H        ARG   6   8.866   0.592  -3.118
   35    HA   ARG   6           HA       ARG   6   8.271   1.243  -5.205
   36   1HB   ARG   6          HB2       ARG   6  10.316  -0.510  -5.509
   37   2HB   ARG   6          HB1       ARG   6   9.237  -1.116  -6.574
   38   1HG   ARG   6          HG2       ARG   6   9.860   1.672  -6.649
   39   2HG   ARG   6          HG1       ARG   6  10.869   0.611  -7.374
   40   1HD   ARG   6          HD2       ARG   6   8.098   0.693  -8.099
   41   2HD   ARG   6          HD1       ARG   6   9.167   1.706  -8.804
   42    HE   ARG   6           HE       ARG   6  10.329  -0.134  -9.754
   43   1HH1  ARG   6          2HH2      ARG   6   7.177  -1.028  -8.444
   44   2HH1  ARG   6          1HH2      ARG   6   7.014  -2.347  -9.556
   45   1HH2  ARG   6          2HH1      ARG   6   9.996  -1.806 -11.170
   46   2HH2  ARG   6          1HH1      ARG   6   8.565  -2.775 -11.056
   47    H    GLY   7           H        GLY   7   6.412   0.050  -3.762
   48   1HA   GLY   7          HA3       GLY   7   4.031  -0.032  -4.407
   49   2HA   GLY   7          HA2       GLY   7   4.470  -0.970  -5.825
   50    H    ARG   8           H        ARG   8   6.292  -2.508  -3.486
   51    HA   ARG   8           HA       ARG   8   3.997  -4.234  -2.632
   52   1HB   ARG   8          HB2       ARG   8   6.682  -4.859  -3.654
   53   2HB   ARG   8          HB1       ARG   8   6.016  -5.876  -2.564
   54   1HG   ARG   8          HG2       ARG   8   4.967  -5.254  -5.171
   55   2HG   ARG   8          HG1       ARG   8   5.534  -6.706  -4.682
   56   1HD   ARG   8          HD2       ARG   8   3.023  -5.498  -4.000
   57   2HD   ARG   8          HD1       ARG   8   3.268  -6.966  -4.673
   58    HE   ARG   8           HE       ARG   8   4.310  -7.541  -2.397
   59   1HH1  ARG   8          2HH2      ARG   8   1.296  -5.816  -2.983
   60   2HH1  ARG   8          1HH2      ARG   8   0.720  -6.127  -1.379
   61   1HH2  ARG   8          2HH1      ARG   8   3.526  -7.691  -0.262
   62   2HH2  ARG   8          1HH1      ARG   8   1.922  -7.138   0.088
   63    H    CYS   9           H        CYS   9   4.798  -5.701  -0.743
   64    HA   CYS   9           HA       CYS   9   6.548  -4.548   1.206
   65   1HB   CYS   9          HB2       CYS   9   3.765  -3.844   1.174
   66   2HB   CYS   9          HB1       CYS   9   4.195  -4.546   2.584
   67    HA   PRO  10           HA       PRO  10   6.243  -8.750   2.584
   68   1HB   PRO  10          HB2       PRO  10   6.511  -8.612   5.222
   69   2HB   PRO  10          HB1       PRO  10   7.739  -8.175   4.237
   70   1HG   PRO  10          HG2       PRO  10   5.858  -6.410   5.562
   71   2HG   PRO  10          HG1       PRO  10   7.480  -6.234   5.483
   72   1HD   PRO  10          HD2       PRO  10   5.945  -4.951   3.803
   73   2HD   PRO  10          HD1       PRO  10   7.415  -5.482   3.328
   74    H    SER  11           H        SER  11   5.251 -10.076   4.529
   75    HA   SER  11           HA       SER  11   3.358 -11.355   4.935
   76   1HB   SER  11          HB2       SER  11   3.381  -8.865   6.523
   77   2HB   SER  11          HB1       SER  11   2.676 -10.260   6.998
   78    HG   SER  11           HG       SER  11   4.744 -10.153   7.844
   79    H    GLY  12           H        GLY  12   2.593 -10.265   2.693
   80   1HA   GLY  12          HA3       GLY  12   0.688  -9.853   1.362
   81   2HA   GLY  12          HA2       GLY  12  -0.232 -10.563   2.691
   82    H    MET  13           H        MET  13   1.697  -7.504   2.861
   83    HA   MET  13           HA       MET  13  -0.836  -6.002   3.320
   84   1HB   MET  13          HB2       MET  13   1.960  -5.049   3.210
   85   2HB   MET  13          HB1       MET  13   0.665  -4.151   3.640
   86   1HG   MET  13          HG2       MET  13   0.310  -5.893   5.389
   87   2HG   MET  13          HG1       MET  13   1.863  -6.305   5.097
   88   1HE   MET  13          HE1       MET  13   3.308  -3.501   4.581
   89   2HE   MET  13          HE2       MET  13   3.909  -3.214   6.226
   90   3HE   MET  13          HE3       MET  13   3.982  -4.849   5.528
   91    H    CYS  14           H        CYS  14  -1.104  -3.894   2.075
   92    HA   CYS  14           HA       CYS  14  -0.474  -4.269  -0.825
   93   1HB   CYS  14          HB2       CYS  14  -2.915  -3.039   0.252
   94   2HB   CYS  14          HB1       CYS  14  -2.629  -3.551  -1.272
   95    H    CYS  15           H        CYS  15  -0.564  -2.128  -2.020
   96    HA   CYS  15           HA       CYS  15   0.741  -0.037  -0.337
   97   1HB   CYS  15          HB2       CYS  15   2.078  -1.100  -2.055
   98   2HB   CYS  15          HB1       CYS  15   1.043  -0.600  -3.215
   99    H    SER  16           H        SER  16   0.048   1.991  -0.360
  100    HA   SER  16           HA       SER  16  -2.643   2.661  -1.115
  101   1HB   SER  16          HB2       SER  16  -1.537   3.581   0.805
  102   2HB   SER  16          HB1       SER  16  -0.376   4.279  -0.108
  103    HG   SER  16           HG       SER  16  -2.088   5.624   0.706
  104    H    GLN  17           H        GLN  17  -2.689   5.052  -1.919
  105    HA   GLN  17           HA       GLN  17  -1.546   5.201  -4.659
  106   1HB   GLN  17          HB2       GLN  17  -3.633   6.864  -3.350
  107   2HB   GLN  17          HB1       GLN  17  -3.186   6.956  -4.919
  108   1HG   GLN  17          HG2       GLN  17  -5.084   5.766  -5.086
  109   2HG   GLN  17          HG1       GLN  17  -3.976   4.567  -5.018
  110   1HE2  GLN  17          1HE2      GLN  17  -4.021   3.017  -3.314
  111   2HE2  GLN  17          2HE2      GLN  17  -5.093   3.255  -1.935
  112   1HN   PFF  18          H         PFF  18  -1.290   6.378  -1.386
  113    HA   PFF  18           HA       PFF  18   0.368   8.700  -2.186
  114   1HBC  PFF  18          HB2       PFF  18  -0.519   7.664   0.528
  115   2HBC  PFF  18          HB3       PFF  18   0.404   9.140   0.248
  116    HD1  PFF  18           HD1      PFF  18  -0.593  10.992  -1.188
  117    HD2  PFF  18           HD2      PFF  18  -2.924   7.686   0.308
  118    HE1  PFF  18           HE1      PFF  18  -2.678  12.255  -1.637
  119    HE2  PFF  18           HE2      PFF  18  -5.006   8.969  -0.121
  120    H    GLY  19           H        GLY  19   1.066   5.528  -2.170
  121   1HA   GLY  19          HA3       GLY  19   3.192   4.633  -2.454
  122   2HA   GLY  19          HA2       GLY  19   3.903   6.092  -1.775
  123   1HN   PFF  20          H         PFF  20   1.584   4.834   0.415
  124    HA   PFF  20           HA       PFF  20   3.697   3.489   2.006
  125   1HBC  PFF  20          HB2       PFF  20   1.065   4.751   2.816
  126   2HBC  PFF  20          HB3       PFF  20   2.292   4.121   3.898
  127    HD1  PFF  20           HD1      PFF  20   1.413   6.869   1.608
  128    HD2  PFF  20           HD2      PFF  20   4.371   5.397   4.344
  129    HE1  PFF  20           HE1      PFF  20   2.284   9.181   1.904
  130    HE2  PFF  20           HE2      PFF  20   5.261   7.691   4.617
  131    H    CYS  21           H        CYS  21   3.061   1.669   3.375
  132    HA   CYS  21           HA       CYS  21   1.162  -0.085   1.913
  133   1HB   CYS  21          HB2       CYS  21   3.284  -0.664   3.871
  134   2HB   CYS  21          HB1       CYS  21   2.319  -1.806   3.214
  135    H    GLY  22           H        GLY  22  -0.405  -1.411   2.898
  136   1HA   GLY  22          HA3       GLY  22  -0.477  -1.901   5.694
  137   2HA   GLY  22          HA2       GLY  22  -1.677  -0.646   5.326
  138    H    LYS  23           H        LYS  23  -2.843  -2.768   6.280
  139    HA   LYS  23           HA       LYS  23  -3.884  -4.324   3.944
  140   1HB   LYS  23          HB2       LYS  23  -4.133  -4.817   6.854
  141   2HB   LYS  23          HB1       LYS  23  -4.891  -5.709   5.715
  142   1HG   LYS  23          HG2       LYS  23  -2.797  -6.423   4.858
  143   2HG   LYS  23          HG1       LYS  23  -2.019  -5.497   5.955
  144   1HD   LYS  23          HD2       LYS  23  -2.964  -6.806   7.719
  145   2HD   LYS  23          HD1       LYS  23  -3.718  -7.742   6.613
  146   1HE   LYS  23          HE2       LYS  23  -0.853  -7.509   6.656
  147   2HE   LYS  23          HE1       LYS  23  -1.619  -8.650   7.539
  148   1HZ   LYS  23          HZ1       LYS  23  -0.816  -9.488   5.470
  149   2HZ   LYS  23          HZ2       LYS  23  -2.456  -9.643   5.590
  150   3HZ   LYS  23          HZ3       LYS  23  -1.787  -8.460   4.662
  151    H    GLY  24           H        GLY  24  -4.545  -1.521   5.240
  152   1HA   GLY  24          HA3       GLY  24  -7.443  -1.780   5.698
  153   2HA   GLY  24          HA2       GLY  24  -6.513  -0.275   5.741
  154    HA   PRO  25           HA       PRO  25  -9.247  -1.153   1.903
  155   1HB   PRO  25          HB2       PRO  25 -10.762   1.109   2.150
  156   2HB   PRO  25          HB1       PRO  25 -11.208  -0.367   2.688
  157   1HG   PRO  25          HG2       PRO  25 -10.074   1.790   4.234
  158   2HG   PRO  25          HG1       PRO  25 -11.254   0.757   4.690
  159   1HD   PRO  25          HD2       PRO  25  -8.832   0.349   5.525
  160   2HD   PRO  25          HD1       PRO  25  -9.764  -0.934   5.135
  161    H    LYS  26           H        LYS  26  -8.153   2.170   2.896
  162    HA   LYS  26           HA       LYS  26  -7.614   3.014   0.225
  163   1HB   LYS  26          HB2       LYS  26  -6.589   3.923   2.845
  164   2HB   LYS  26          HB1       LYS  26  -6.209   4.677   1.447
  165   1HG   LYS  26          HG2       LYS  26  -8.850   4.464   2.577
  166   2HG   LYS  26          HG1       LYS  26  -7.973   5.836   2.458
  167   1HD   LYS  26          HD2       LYS  26  -9.275   4.429   0.313
  168   2HD   LYS  26          HD1       LYS  26  -9.531   5.976   0.770
  169   1HE   LYS  26          HE2       LYS  26  -7.405   6.596  -0.045
  170   2HE   LYS  26          HE1       LYS  26  -7.081   5.044  -0.437
  171   1HZ   LYS  26          HZ1       LYS  26  -8.939   5.158  -2.007
  172   2HZ   LYS  26          HZ2       LYS  26  -8.945   6.790  -1.747
  173   3HZ   LYS  26          HZ3       LYS  26  -7.606   6.023  -2.373
  174    H    TYR  27           H        TYR  27  -5.746   0.847   2.208
  175    HA   TYR  27           HA       TYR  27  -3.257   1.383   0.677
  176   1HB   TYR  27          HB2       TYR  27  -3.922  -0.620   2.742
  177   2HB   TYR  27          HB1       TYR  27  -2.450  -0.435   2.059
  178    HD1  TYR  27           HD1      TYR  27  -1.201   1.750   2.315
  179    HD2  TYR  27           HD2      TYR  27  -4.667   0.712   4.618
  180    HE1  TYR  27           HE1      TYR  27  -0.421   3.253   4.156
  181    HE2  TYR  27           HE2      TYR  27  -3.943   2.313   6.410
  182    HH   TYR  27           HH       TYR  27  -0.849   4.025   6.244
  183    H    CYS  28           H        CYS  28  -5.776  -1.114   1.076
  184    HA   CYS  28           HA       CYS  28  -4.606  -2.560  -1.215
  185   1HB   CYS  28          HB2       CYS  28  -5.228  -3.440   1.096
  186   2HB   CYS  28          HB1       CYS  28  -6.731  -3.590   0.475
  187    H    GLY  29           H        GLY  29  -8.095  -2.248  -0.354
  188   1HA   GLY  29          HA3       GLY  29  -8.799  -2.734  -3.116
  189   2HA   GLY  29          HA2       GLY  29  -9.909  -2.380  -1.794
  190    H    ARG  30           H        ARG  30  -8.201   0.124  -1.398
  191    HA   ARG  30           HA       ARG  30  -8.188   2.283  -1.728
  192   1HB   ARG  30          HB2       ARG  30  -7.206   2.950  -3.744
  193   2HB   ARG  30          HB1       ARG  30  -6.533   1.572  -3.181
  194   1HG   ARG  30          HG2       ARG  30  -7.959   0.457  -4.925
  195   2HG   ARG  30          HG1       ARG  30  -8.002   1.943  -5.601
  196   1HD   ARG  30          HD2       ARG  30  -6.190   0.782  -6.553
  197   2HD   ARG  30          HD1       ARG  30  -5.576   1.954  -5.595
  198    HE   ARG  30           HE       ARG  30  -5.913  -0.701  -4.466
  199   1HH1  ARG  30          2HH2      ARG  30  -3.573   1.878  -5.173
  200   2HH1  ARG  30          1HH2      ARG  30  -2.462   1.211  -4.024
  201   1HH2  ARG  30          2HH1      ARG  30  -4.484  -1.406  -3.102
  202   2HH2  ARG  30          1HH1      ARG  30  -2.968  -0.599  -2.882
  203   1HN   NH2  31          1HN       NH2  31 -11.610   2.589  -3.800
  204   2HN   NH2  31          2HN       NH2  31 -10.788   1.034  -3.775
  205    H1   NAG  32           H1       NAG  32  -6.386  16.395   2.181
  206    H2   NAG  32           H2       NAG  32  -6.507  14.023   0.273
  207    H3   NAG  32           H3       NAG  32  -5.404  14.087   3.108
  208    H4   NAG  32           H4       NAG  32  -3.914  13.675   0.501
  209    H5   NAG  32           H5       NAG  32  -3.993  16.161   2.260
  210   1H6   NAG  32          1H6       NAG  32  -1.840  15.973   1.205
  211   2H6   NAG  32          2H6       NAG  32  -2.775  17.185   0.326
  212   1H8   NAG  32          1H8       NAG  32  -9.666  12.748   3.328
  213   2H8   NAG  32          2H8       NAG  32  -9.761  14.036   4.555
  214   3H8   NAG  32          3H8       NAG  32 -10.362  14.349   2.906
  215    HN2  NAG  32           HN2      NAG  32  -8.553  13.577   1.304
  216    HO1  NAG  32           HO1      NAG  32  -6.747  16.971  -0.267
  217    HO3  NAG  32           HO3      NAG  32  -4.906  12.010   2.564
  218    HO6  NAG  32           HO6      NAG  32  -1.955  14.618  -0.458
  219    H1   NAG  33           H1       NAG  33  -2.441  12.081   1.334
  220    H2   NAG  33           H2       NAG  33  -1.148  12.848   3.979
  221    H3   NAG  33           H3       NAG  33  -0.437  10.587   2.084
  222    H4   NAG  33           H4       NAG  33  -1.646  10.508   4.880
  223    H5   NAG  33           H5       NAG  33  -2.934   9.963   2.183
  224   1H6   NAG  33          1H6       NAG  33  -3.868   8.502   3.888
  225   2H6   NAG  33          2H6       NAG  33  -5.025   9.781   3.506
  226   1H8   NAG  33          1H8       NAG  33   2.141  13.658   0.701
  227   2H8   NAG  33          2H8       NAG  33   1.194  14.614  -0.465
  228   3H8   NAG  33          3H8       NAG  33   1.431  15.231   1.189
  229    HN2  NAG  33           HN2      NAG  33   0.848  13.447   2.785
  230    HO3  NAG  33           HO3      NAG  33   0.820  10.034   3.913
  231    HO6  NAG  33           HO6      NAG  33  -4.318  10.868   5.390
  232    H1   NAG  34           H1       NAG  34  -1.439   8.390   5.787
  233    H2   NAG  34           H2       NAG  34   0.187   6.576   3.966
  234    H3   NAG  34           H3       NAG  34  -0.406   6.436   6.955
  235    H4   NAG  34           H4       NAG  34   2.183   7.014   5.438
  236    H5   NAG  34           H5       NAG  34   0.417   8.718   7.250
  237   1H6   NAG  34          1H6       NAG  34   3.035   9.345   5.799
  238   2H6   NAG  34          2H6       NAG  34   2.736   9.445   7.542
  239   1H8   NAG  34          1H8       NAG  34  -3.564   4.090   3.111
  240   2H8   NAG  34          2H8       NAG  34  -4.087   5.106   4.487
  241   3H8   NAG  34          3H8       NAG  34  -4.322   5.675   2.816
  242    HN2  NAG  34           HN2      NAG  34  -2.169   5.502   5.424
  243    HO4  NAG  34           HO4      NAG  34   3.167   6.493   7.283
  244    HO3  NAG  34           HO3      NAG  34   1.384   4.965   6.711
  245    HO6  NAG  34           HO6      NAG  34   1.429  10.986   5.507
  Start of MODEL    8
    1   1H    VAL   1           H1       VAL   1   5.334   9.086   5.334
    2   2H    VAL   1           H2       VAL   1   3.849   8.345   5.456
    3   3H    VAL   1           H3       VAL   1   5.037   7.729   4.456
    4    HA   VAL   1           HA       VAL   1   6.363   7.001   6.098
    5    HB   VAL   1           HB       VAL   1   6.169   8.916   7.580
    6   1HG1  VAL   1          1HG1      VAL   1   3.516   7.736   8.517
    7   2HG1  VAL   1          2HG1      VAL   1   4.416   9.035   9.307
    8   3HG1  VAL   1          3HG1      VAL   1   3.758   9.301   7.696
    9   1HG2  VAL   1          1HG2      VAL   1   7.161   6.767   8.364
   10   2HG2  VAL   1          2HG2      VAL   1   6.484   7.760   9.660
   11   3HG2  VAL   1          3HG2      VAL   1   5.592   6.342   9.100
   12    H    GLY   2           H        GLY   2   6.082   4.932   7.076
   13   1HA   GLY   2          HA3       GLY   2   4.992   2.838   7.040
   14   2HA   GLY   2          HA2       GLY   2   3.427   3.652   6.825
   15    H    GLU   3           H        GLU   3   6.528   2.964   5.151
   16    HA   GLU   3           HA       GLU   3   5.328   3.689   2.543
   17   1HB   GLU   3          HB2       GLU   3   8.096   2.906   3.222
   18   2HB   GLU   3          HB1       GLU   3   7.590   3.571   1.818
   19   1HG   GLU   3          HG2       GLU   3   7.666   4.914   4.371
   20   2HG   GLU   3          HG1       GLU   3   8.641   5.236   3.101
   21    H    CYS   4           H        CYS   4   5.248   2.254   0.757
   22    HA   CYS   4           HA       CYS   4   5.907  -0.630   1.252
   23   1HB   CYS   4          HB2       CYS   4   4.819   0.857  -1.061
   24   2HB   CYS   4          HB1       CYS   4   5.407  -0.659  -1.206
   25    H    VAL   5           H        VAL   5   7.477  -1.416  -0.564
   26    HA   VAL   5           HA       VAL   5   9.844   0.323  -0.819
   27    HB   VAL   5           HB       VAL   5   9.249  -2.339  -2.167
   28   1HG1  VAL   5          1HG1      VAL   5  11.884  -0.909  -1.492
   29   2HG1  VAL   5          2HG1      VAL   5  11.745  -2.515  -2.235
   30   3HG1  VAL   5          3HG1      VAL   5  11.226  -1.088  -3.130
   31   1HG2  VAL   5          1HG2      VAL   5  10.632  -3.328  -0.335
   32   2HG2  VAL   5          2HG2      VAL   5  10.590  -1.764   0.503
   33   3HG2  VAL   5          3HG2      VAL   5   9.095  -2.688   0.243
   34    H    ARG   6           H        ARG   6   7.854   1.690  -1.610
   35    HA   ARG   6           HA       ARG   6   6.357   2.517  -3.072
   36   1HB   ARG   6          HB2       ARG   6   9.016   3.252  -3.839
   37   2HB   ARG   6          HB1       ARG   6   7.923   3.504  -5.025
   38   1HG   ARG   6          HG2       ARG   6   7.999   5.440  -3.707
   39   2HG   ARG   6          HG1       ARG   6   6.556   4.717  -3.457
   40   1HD   ARG   6          HD2       ARG   6   7.544   3.761  -1.423
   41   2HD   ARG   6          HD1       ARG   6   8.778   4.808  -1.641
   42    HE   ARG   6           HE       ARG   6   7.088   5.610   0.023
   43   1HH1  ARG   6          2HH1      ARG   6   6.413   6.644  -3.317
   44   2HH1  ARG   6          1HH1      ARG   6   5.003   7.466  -2.740
   45   1HH2  ARG   6          2HH2      ARG   6   5.298   6.490   0.498
   46   2HH2  ARG   6          1HH2      ARG   6   4.404   7.381  -0.688
   47    H    GLY   7           H        GLY   7   6.377  -0.034  -3.201
   48   1HA   GLY   7          HA3       GLY   7   4.662  -0.476  -5.471
   49   2HA   GLY   7          HA2       GLY   7   6.221  -1.208  -5.842
   50    H    ARG   8           H        ARG   8   6.819  -2.298  -3.191
   51    HA   ARG   8           HA       ARG   8   4.481  -4.081  -2.699
   52   1HB   ARG   8          HB2       ARG   8   7.001  -4.792  -3.770
   53   2HB   ARG   8          HB1       ARG   8   6.809  -5.548  -2.335
   54   1HG   ARG   8          HG2       ARG   8   4.920  -5.740  -4.499
   55   2HG   ARG   8          HG1       ARG   8   6.057  -6.871  -4.190
   56   1HD   ARG   8          HD2       ARG   8   4.307  -7.822  -3.178
   57   2HD   ARG   8          HD1       ARG   8   4.906  -6.965  -1.923
   58    HE   ARG   8           HE       ARG   8   2.929  -5.634  -3.504
   59   1HH1  ARG   8          2HH2      ARG   8   3.384  -7.336  -0.423
   60   2HH1  ARG   8          1HH2      ARG   8   1.752  -7.003   0.054
   61   1HH2  ARG   8          2HH1      ARG   8   0.868  -5.311  -2.758
   62   2HH2  ARG   8          1HH1      ARG   8   0.398  -5.911  -1.203
   63    H    CYS   9           H        CYS   9   4.745  -5.436  -0.730
   64    HA   CYS   9           HA       CYS   9   6.327  -4.416   1.470
   65   1HB   CYS   9          HB2       CYS   9   4.142  -3.058   1.035
   66   2HB   CYS   9          HB1       CYS   9   3.421  -4.302   1.810
   67    HA   PRO  10           HA       PRO  10   5.933  -8.574   2.662
   68   1HB   PRO  10          HB2       PRO  10   4.830  -7.963   5.322
   69   2HB   PRO  10          HB1       PRO  10   6.122  -8.884   4.932
   70   1HG   PRO  10          HG2       PRO  10   6.575  -6.491   5.774
   71   2HG   PRO  10          HG1       PRO  10   7.451  -7.021   4.502
   72   1HD   PRO  10          HD2       PRO  10   5.082  -5.362   4.423
   73   2HD   PRO  10          HD1       PRO  10   6.460  -5.148   3.573
   74    H    SER  11           H        SER  11   4.666 -10.415   3.774
   75    HA   SER  11           HA       SER  11   2.696 -11.464   2.480
   76   1HB   SER  11          HB2       SER  11   2.804 -11.555   5.427
   77   2HB   SER  11          HB1       SER  11   2.380 -12.758   4.408
   78    HG   SER  11           HG       SER  11   4.503 -13.049   5.067
   79    H    GLY  12           H        GLY  12   0.920 -10.447   1.670
   80   1HA   GLY  12          HA3       GLY  12  -1.348  -9.954   1.708
   81   2HA   GLY  12          HA2       GLY  12  -1.345 -10.190   3.456
   82    H    MET  13           H        MET  13   1.046  -7.872   2.964
   83    HA   MET  13           HA       MET  13  -0.820  -5.678   3.604
   84   1HB   MET  13          HB2       MET  13   2.094  -5.607   3.109
   85   2HB   MET  13          HB1       MET  13   1.193  -4.405   3.751
   86   1HG   MET  13          HG2       MET  13   1.632  -6.952   5.014
   87   2HG   MET  13          HG1       MET  13   2.407  -5.576   5.428
   88   1HE   MET  13          HE1       MET  13   0.971  -7.532   7.460
   89   2HE   MET  13          HE2       MET  13   1.858  -6.076   7.975
   90   3HE   MET  13          HE3       MET  13   0.196  -6.352   8.544
   91    H    CYS  14           H        CYS  14  -0.762  -3.672   2.336
   92    HA   CYS  14           HA       CYS  14  -0.447  -4.123  -0.593
   93   1HB   CYS  14          HB2       CYS  14  -2.868  -2.912   0.508
   94   2HB   CYS  14          HB1       CYS  14  -2.644  -3.626  -0.943
   95    H    CYS  15           H        CYS  15  -0.738  -2.013  -1.830
   96    HA   CYS  15           HA       CYS  15   0.598   0.142  -0.311
   97   1HB   CYS  15          HB2       CYS  15   0.860  -0.725  -3.121
   98   2HB   CYS  15          HB1       CYS  15   1.678   0.513  -2.438
   99    H    SER  16           H        SER  16  -0.455   2.130  -0.316
  100    HA   SER  16           HA       SER  16  -2.808   2.470  -2.079
  101   1HB   SER  16          HB2       SER  16  -2.931   4.661  -1.133
  102   2HB   SER  16          HB1       SER  16  -2.846   3.551   0.063
  103    HG   SER  16           HG       SER  16  -1.575   5.093   0.729
  104    H    GLN  17           H        GLN  17  -2.863   4.222  -3.729
  105    HA   GLN  17           HA       GLN  17  -0.715   3.941  -5.507
  106   1HB   GLN  17          HB2       GLN  17  -1.960   5.336  -6.886
  107   2HB   GLN  17          HB1       GLN  17  -3.048   4.463  -6.036
  108   1HG   GLN  17          HG2       GLN  17  -3.097   6.422  -4.490
  109   2HG   GLN  17          HG1       GLN  17  -2.412   7.241  -5.726
  110   1HE2  GLN  17          1HE2      GLN  17  -3.634   7.500  -7.811
  111   2HE2  GLN  17          2HE2      GLN  17  -5.384   7.351  -7.671
  112   1HN   PFF  18          H         PFF  18  -0.718   5.926  -2.816
  113    HA   PFF  18           HA       PFF  18   1.197   7.909  -3.883
  114   1HBC  PFF  18          HB2       PFF  18  -0.060   7.440  -1.168
  115   2HBC  PFF  18          HB3       PFF  18   1.072   8.754  -1.537
  116    HD1  PFF  18           HD1      PFF  18  -2.376   7.475  -1.998
  117    HD2  PFF  18           HD2      PFF  18   0.425  10.560  -3.099
  118    HE1  PFF  18           HE1      PFF  18  -4.099   8.553  -3.431
  119    HE2  PFF  18           HE2      PFF  18  -1.317  11.640  -4.495
  120    H    GLY  19           H        GLY  19   1.406   4.713  -3.017
  121   1HA   GLY  19          HA3       GLY  19   3.310   3.429  -2.957
  122   2HA   GLY  19          HA2       GLY  19   4.306   4.843  -2.656
  123   1HN   PFF  20          H         PFF  20   1.616   4.632  -0.501
  124    HA   PFF  20           HA       PFF  20   3.428   3.939   1.719
  125   1HBC  PFF  20          HB2       PFF  20   0.559   4.912   1.681
  126   2HBC  PFF  20          HB3       PFF  20   1.636   4.816   3.071
  127    HD1  PFF  20           HD1      PFF  20   4.020   6.031   2.571
  128    HD2  PFF  20           HD2      PFF  20   0.203   7.135   0.963
  129    HE1  PFF  20           HE1      PFF  20   4.840   8.370   2.238
  130    HE2  PFF  20           HE2      PFF  20   0.988   9.478   0.696
  131    H    CYS  21           H        CYS  21   2.797   2.333   3.314
  132    HA   CYS  21           HA       CYS  21   1.445   0.014   2.007
  133   1HB   CYS  21          HB2       CYS  21   3.755  -0.294   2.473
  134   2HB   CYS  21          HB1       CYS  21   3.584   0.157   4.033
  135    H    GLY  22           H        GLY  22  -0.117  -1.161   3.034
  136   1HA   GLY  22          HA3       GLY  22   0.030  -1.626   5.801
  137   2HA   GLY  22          HA2       GLY  22  -1.285  -0.465   5.578
  138    H    LYS  23           H        LYS  23  -2.089  -2.735   6.645
  139    HA   LYS  23           HA       LYS  23  -2.882  -4.679   4.648
  140   1HB   LYS  23          HB2       LYS  23  -2.522  -5.201   7.025
  141   2HB   LYS  23          HB1       LYS  23  -3.846  -4.333   7.430
  142   1HG   LYS  23          HG2       LYS  23  -4.484  -6.550   7.470
  143   2HG   LYS  23          HG1       LYS  23  -5.169  -5.900   6.138
  144   1HD   LYS  23          HD2       LYS  23  -2.828  -6.867   5.268
  145   2HD   LYS  23          HD1       LYS  23  -3.387  -8.019   6.282
  146   1HE   LYS  23          HE2       LYS  23  -4.286  -8.665   4.307
  147   2HE   LYS  23          HE1       LYS  23  -5.515  -7.819   4.971
  148   1HZ   LYS  23          HZ1       LYS  23  -5.232  -7.196   2.713
  149   2HZ   LYS  23          HZ2       LYS  23  -4.887  -5.914   3.686
  150   3HZ   LYS  23          HZ3       LYS  23  -3.664  -6.837   3.025
  151    H    GLY  24           H        GLY  24  -4.230  -1.938   5.889
  152   1HA   GLY  24          HA3       GLY  24  -7.007  -2.651   5.719
  153   2HA   GLY  24          HA2       GLY  24  -6.378  -1.066   6.179
  154    HA   PRO  25           HA       PRO  25  -8.825  -1.491   2.138
  155   1HB   PRO  25          HB2       PRO  25 -10.685   0.415   2.726
  156   2HB   PRO  25          HB1       PRO  25 -10.881  -1.182   3.005
  157   1HG   PRO  25          HG2       PRO  25 -10.090   0.841   4.908
  158   2HG   PRO  25          HG1       PRO  25 -11.105  -0.413   5.160
  159   1HD   PRO  25          HD2       PRO  25  -8.652  -0.604   5.976
  160   2HD   PRO  25          HD1       PRO  25  -9.380  -1.923   5.346
  161    H    LYS  26           H        LYS  26  -8.057   1.679   3.751
  162    HA   LYS  26           HA       LYS  26  -7.892   3.162   1.344
  163   1HB   LYS  26          HB2       LYS  26  -6.455   3.493   3.907
  164   2HB   LYS  26          HB1       LYS  26  -6.461   4.616   2.721
  165   1HG   LYS  26          HG2       LYS  26  -8.784   3.773   4.185
  166   2HG   LYS  26          HG1       LYS  26  -7.986   5.175   4.438
  167   1HD   LYS  26          HD2       LYS  26  -9.380   4.564   2.002
  168   2HD   LYS  26          HD1       LYS  26 -10.026   5.453   3.210
  169   1HE   LYS  26          HE2       LYS  26  -9.362   7.047   1.775
  170   2HE   LYS  26          HE1       LYS  26  -8.099   6.989   2.809
  171   1HZ   LYS  26          HZ1       LYS  26  -8.014   5.435   0.420
  172   2HZ   LYS  26          HZ2       LYS  26  -7.698   7.013   0.328
  173   3HZ   LYS  26          HZ3       LYS  26  -6.716   6.095   1.258
  174    H    TYR  27           H        TYR  27  -5.665   0.757   2.524
  175    HA   TYR  27           HA       TYR  27  -3.575   1.620   0.578
  176   1HB   TYR  27          HB2       TYR  27  -3.606  -0.531   2.599
  177   2HB   TYR  27          HB1       TYR  27  -2.347  -0.175   1.621
  178    HD1  TYR  27           HD1      TYR  27  -1.275   2.152   1.758
  179    HD2  TYR  27           HD2      TYR  27  -3.873   0.477   4.745
  180    HE1  TYR  27           HE1      TYR  27  -0.248   3.629   3.490
  181    HE2  TYR  27           HE2      TYR  27  -2.865   2.018   6.457
  182    HH   TYR  27           HH       TYR  27  -0.323   4.374   5.634
  183    H    CYS  28           H        CYS  28  -5.688  -1.133   1.405
  184    HA   CYS  28           HA       CYS  28  -4.667  -2.586  -0.901
  185   1HB   CYS  28          HB2       CYS  28  -5.132  -3.286   1.527
  186   2HB   CYS  28          HB1       CYS  28  -6.655  -3.568   1.012
  187    H    GLY  29           H        GLY  29  -7.701  -1.014  -0.119
  188   1HA   GLY  29          HA3       GLY  29  -8.766  -1.799  -2.820
  189   2HA   GLY  29          HA2       GLY  29  -9.799  -1.569  -1.409
  190    H    ARG  30           H        ARG  30  -7.578   0.711  -0.949
  191    HA   ARG  30           HA       ARG  30  -7.154   2.873  -1.343
  192   1HB   ARG  30          HB2       ARG  30  -8.562   2.461  -3.913
  193   2HB   ARG  30          HB1       ARG  30  -7.880   3.885  -3.493
  194   1HG   ARG  30          HG2       ARG  30  -6.402   1.419  -3.734
  195   2HG   ARG  30          HG1       ARG  30  -6.441   2.564  -4.898
  196   1HD   ARG  30          HD2       ARG  30  -5.280   2.893  -2.276
  197   2HD   ARG  30          HD1       ARG  30  -4.443   2.797  -3.674
  198    HE   ARG  30           HE       ARG  30  -5.481   4.934  -4.363
  199   1HH1  ARG  30          2HH2      ARG  30  -5.293   4.352  -0.873
  200   2HH1  ARG  30          1HH2      ARG  30  -5.680   6.008  -0.547
  201   1HH2  ARG  30          2HH1      ARG  30  -5.932   6.926  -3.861
  202   2HH2  ARG  30          1HH1      ARG  30  -6.034   7.439  -2.210
  203   1HN   NH2  31          1HN       NH2  31 -10.560   2.193  -2.221
  204   2HN   NH2  31          2HN       NH2  31 -11.201   3.489  -1.206
  205    H1   NAG  32           H1       NAG  32  -9.041  11.609  -2.305
  206    H2   NAG  32           H2       NAG  32  -6.941  10.076  -3.884
  207    H3   NAG  32           H3       NAG  32  -7.299  10.328  -0.875
  208    H4   NAG  32           H4       NAG  32  -5.079  11.390  -2.669
  209    H5   NAG  32           H5       NAG  32  -7.301  12.968  -1.328
  210   1H6   NAG  32          1H6       NAG  32  -5.278  14.304  -1.512
  211   2H6   NAG  32          2H6       NAG  32  -6.454  14.840  -2.717
  212   1H8   NAG  32          1H8       NAG  32 -10.800   7.727  -2.462
  213   2H8   NAG  32          2H8       NAG  32  -9.764   6.680  -3.479
  214   3H8   NAG  32          3H8       NAG  32  -9.952   6.341  -1.741
  215    HN2  NAG  32           HN2      NAG  32  -9.270   9.083  -3.724
  216    HO1  NAG  32           HO1      NAG  32  -8.856  12.243  -4.756
  217    HO3  NAG  32           HO3      NAG  32  -5.482   9.172  -0.857
  218    HO6  NAG  32           HO6      NAG  32  -4.075  13.350  -3.085
  219    H1   NAG  33           H1       NAG  33  -3.531  10.536  -1.137
  220    H2   NAG  33           H2       NAG  33  -3.556  12.010   1.519
  221    H3   NAG  33           H3       NAG  33  -1.542  10.080   0.303
  222    H4   NAG  33           H4       NAG  33  -3.314   9.895   2.800
  223    H5   NAG  33           H5       NAG  33  -3.328   8.394   0.146
  224   1H6   NAG  33          1H6       NAG  33  -5.775   8.288   1.790
  225   2H6   NAG  33          2H6       NAG  33  -4.423   7.686   2.722
  226   1H8   NAG  33          1H8       NAG  33  -1.220  14.492  -2.502
  227   2H8   NAG  33          2H8       NAG  33  -1.432  15.113  -0.848
  228   3H8   NAG  33          3H8       NAG  33  -0.164  13.895  -1.198
  229    HN2  NAG  33           HN2      NAG  33  -1.550  13.170   0.686
  230    HO3  NAG  33           HO3      NAG  33  -0.489  10.406   2.203
  231    HO6  NAG  33           HO6      NAG  33  -4.086   6.115   1.280
  232    H1   NAG  34           H1       NAG  34  -2.077   8.725   4.370
  233    H2   NAG  34           H2       NAG  34  -0.310   6.608   3.120
  234    H3   NAG  34           H3       NAG  34  -0.372   7.275   6.065
  235    H4   NAG  34           H4       NAG  34   1.804   7.970   4.036
  236    H5   NAG  34           H5       NAG  34  -0.260   9.675   5.502
  237   1H6   NAG  34          1H6       NAG  34   1.931  10.593   3.584
  238   2H6   NAG  34          2H6       NAG  34   1.891  10.924   5.325
  239   1H8   NAG  34          1H8       NAG  34  -4.757   5.454   3.987
  240   2H8   NAG  34          2H8       NAG  34  -4.127   3.918   3.283
  241   3H8   NAG  34          3H8       NAG  34  -3.711   4.395   4.945
  242    HN2  NAG  34           HN2      NAG  34  -2.129   5.793   5.235
  243    HO4  NAG  34           HO4      NAG  34   2.236   7.539   6.478
  244    HO3  NAG  34           HO3      NAG  34   1.696   5.861   5.504
  245    HO6  NAG  34           HO6      NAG  34  -0.106  11.747   3.436
  Start of MODEL    9
    1   1H    VAL   1           H1       VAL   1  10.851   4.814   1.113
    2   2H    VAL   1           H2       VAL   1  11.885   3.805   0.366
    3   3H    VAL   1           H3       VAL   1  12.290   4.484   1.853
    4    HA   VAL   1           HA       VAL   1  10.043   2.666   1.354
    5    HB   VAL   1           HB       VAL   1  12.167   1.472   1.226
    6   1HG1  VAL   1          1HG1      VAL   1  12.679   2.391   4.092
    7   2HG1  VAL   1          2HG1      VAL   1  13.616   1.198   3.183
    8   3HG1  VAL   1          3HG1      VAL   1  13.613   2.885   2.661
    9   1HG2  VAL   1          1HG2      VAL   1  10.697   0.824   3.813
   10   2HG2  VAL   1          2HG2      VAL   1  10.126   0.411   2.179
   11   3HG2  VAL   1          3HG2      VAL   1  11.637  -0.279   2.800
   12    H    GLY   2           H        GLY   2   8.657   2.430   2.961
   13   1HA   GLY   2          HA3       GLY   2   7.874   3.279   5.307
   14   2HA   GLY   2          HA2       GLY   2   8.538   4.823   4.710
   15    H    GLU   3           H        GLU   3   8.012   4.850   2.079
   16    HA   GLU   3           HA       GLU   3   5.260   4.001   1.486
   17   1HB   GLU   3          HB2       GLU   3   5.642   4.891  -0.541
   18   2HB   GLU   3          HB1       GLU   3   6.566   5.886   0.367
   19   1HG   GLU   3          HG2       GLU   3   7.546   3.827  -1.372
   20   2HG   GLU   3          HG1       GLU   3   7.634   5.433  -1.654
   21    H    CYS   4           H        CYS   4   5.091   2.221  -0.207
   22    HA   CYS   4           HA       CYS   4   6.371  -0.162   0.545
   23   1HB   CYS   4          HB2       CYS   4   5.103   0.708  -1.955
   24   2HB   CYS   4          HB1       CYS   4   5.790  -0.771  -1.864
   25    H    VAL   5           H        VAL   5   7.692  -1.544  -0.858
   26    HA   VAL   5           HA       VAL   5  10.254  -0.272  -1.557
   27    HB   VAL   5           HB       VAL   5   9.453  -3.206  -1.687
   28   1HG1  VAL   5          1HG1      VAL   5  12.181  -1.818  -1.427
   29   2HG1  VAL   5          2HG1      VAL   5  11.912  -3.570  -1.421
   30   3HG1  VAL   5          3HG1      VAL   5  11.605  -2.644  -2.887
   31   1HG2  VAL   5          1HG2      VAL   5  10.599  -3.398   0.522
   32   2HG2  VAL   5          2HG2      VAL   5  10.692  -1.626   0.600
   33   3HG2  VAL   5          3HG2      VAL   5   9.116  -2.450   0.611
   34    H    ARG   6           H        ARG   6   8.519   0.802  -3.088
   35    HA   ARG   6           HA       ARG   6   7.771   1.279  -5.192
   36   1HB   ARG   6          HB2       ARG   6  10.517   0.324  -5.721
   37   2HB   ARG   6          HB1       ARG   6   9.613   1.084  -6.850
   38   1HG   ARG   6          HG2       ARG   6  10.729   2.836  -5.989
   39   2HG   ARG   6          HG1       ARG   6   9.377   2.866  -5.072
   40   1HD   ARG   6          HD2       ARG   6  10.705   1.541  -3.429
   41   2HD   ARG   6          HD1       ARG   6  12.007   2.043  -4.277
   42    HE   ARG   6           HE       ARG   6  10.522   3.603  -2.397
   43   1HH1  ARG   6          2HH2      ARG   6  12.554   4.003  -5.267
   44   2HH1  ARG   6          1HH2      ARG   6  12.885   5.650  -4.847
   45   1HH2  ARG   6          2HH1      ARG   6  10.977   5.598  -1.955
   46   2HH2  ARG   6          1HH1      ARG   6  11.998   6.546  -2.984
   47    H    GLY   7           H        GLY   7   6.822  -0.937  -4.251
   48   1HA   GLY   7          HA3       GLY   7   5.160  -1.865  -6.207
   49   2HA   GLY   7          HA2       GLY   7   6.531  -2.949  -6.434
   50    H    ARG   8           H        ARG   8   7.020  -3.075  -3.373
   51    HA   ARG   8           HA       ARG   8   4.532  -4.501  -2.561
   52   1HB   ARG   8          HB2       ARG   8   7.263  -5.515  -2.884
   53   2HB   ARG   8          HB1       ARG   8   6.433  -6.060  -1.586
   54   1HG   ARG   8          HG2       ARG   8   5.744  -6.455  -4.345
   55   2HG   ARG   8          HG1       ARG   8   6.154  -7.614  -3.269
   56   1HD   ARG   8          HD2       ARG   8   3.665  -6.201  -3.428
   57   2HD   ARG   8          HD1       ARG   8   3.892  -7.815  -3.535
   58    HE   ARG   8           HE       ARG   8   4.640  -7.311  -0.968
   59   1HH1  ARG   8          2HH2      ARG   8   1.707  -6.561  -2.787
   60   2HH1  ARG   8          1HH2      ARG   8   0.730  -6.659  -1.361
   61   1HH2  ARG   8          2HH1      ARG   8   3.274  -7.369   0.785
   62   2HH2  ARG   8          1HH1      ARG   8   1.577  -7.095   0.569
   63    H    CYS   9           H        CYS   9   4.453  -5.125  -0.396
   64    HA   CYS   9           HA       CYS   9   6.380  -4.040   1.494
   65   1HB   CYS   9          HB2       CYS   9   3.651  -3.197   1.398
   66   2HB   CYS   9          HB1       CYS   9   3.988  -3.917   2.824
   67    HA   PRO  10           HA       PRO  10   6.258  -8.032   3.277
   68   1HB   PRO  10          HB2       PRO  10   4.806  -7.103   5.670
   69   2HB   PRO  10          HB1       PRO  10   6.137  -8.045   5.581
   70   1HG   PRO  10          HG2       PRO  10   6.488  -5.548   6.093
   71   2HG   PRO  10          HG1       PRO  10   7.501  -6.242   5.017
   72   1HD   PRO  10          HD2       PRO  10   5.184  -4.619   4.447
   73   2HD   PRO  10          HD1       PRO  10   6.633  -4.571   3.694
   74    H    SER  11           H        SER  11   4.924  -9.725   4.615
   75    HA   SER  11           HA       SER  11   3.357 -11.197   3.215
   76   1HB   SER  11          HB2       SER  11   2.815 -10.784   6.077
   77   2HB   SER  11          HB1       SER  11   2.738 -12.180   5.233
   78    HG   SER  11           HG       SER  11   4.677 -12.118   6.337
   79    H    GLY  12           H        GLY  12   1.863 -10.356   1.843
   80   1HA   GLY  12          HA3       GLY  12  -0.274  -9.806   1.126
   81   2HA   GLY  12          HA2       GLY  12  -0.837 -10.373   2.699
   82    H    MET  13           H        MET  13   1.416  -7.633   2.585
   83    HA   MET  13           HA       MET  13  -0.712  -5.717   3.347
   84   1HB   MET  13          HB2       MET  13   2.099  -5.245   2.526
   85   2HB   MET  13          HB1       MET  13   1.111  -4.155   3.234
   86   1HG   MET  13          HG2       MET  13   2.017  -6.555   4.528
   87   2HG   MET  13          HG1       MET  13   2.705  -5.092   4.756
   88   1HE   MET  13          HE1       MET  13   2.636  -5.274   7.350
   89   2HE   MET  13          HE2       MET  13   1.160  -5.725   8.230
   90   3HE   MET  13          HE3       MET  13   1.943  -6.901   7.147
   91    H    CYS  14           H        CYS  14  -0.942  -3.659   1.984
   92    HA   CYS  14           HA       CYS  14  -0.184  -3.987  -0.881
   93   1HB   CYS  14          HB2       CYS  14  -2.763  -2.958   0.113
   94   2HB   CYS  14          HB1       CYS  14  -2.266  -2.920  -1.442
   95    H    CYS  15           H        CYS  15  -0.258  -1.758  -1.975
   96    HA   CYS  15           HA       CYS  15   0.785   0.346  -0.170
   97   1HB   CYS  15          HB2       CYS  15   0.900   0.165  -3.110
   98   2HB   CYS  15          HB1       CYS  15   1.839   1.069  -2.125
   99    H    SER  16           H        SER  16  -0.108   2.526  -0.376
  100    HA   SER  16           HA       SER  16  -2.869   2.602  -1.457
  101   1HB   SER  16          HB2       SER  16  -3.207   4.388  -0.061
  102   2HB   SER  16          HB1       SER  16  -2.297   3.383   0.849
  103    HG   SER  16           HG       SER  16  -1.410   5.300   1.152
  104    H    GLN  17           H        GLN  17  -3.551   4.748  -2.457
  105    HA   GLN  17           HA       GLN  17  -1.945   5.625  -4.594
  106   1HB   GLN  17          HB2       GLN  17  -3.980   7.151  -3.076
  107   2HB   GLN  17          HB1       GLN  17  -3.421   7.551  -4.557
  108   1HG   GLN  17          HG2       GLN  17  -5.284   6.519  -5.180
  109   2HG   GLN  17          HG1       GLN  17  -4.297   5.219  -5.134
  110   1HE2  GLN  17          1HE2      GLN  17  -7.102   6.674  -3.772
  111   2HE2  GLN  17          2HE2      GLN  17  -7.387   5.368  -2.623
  112   1HN   PFF  18          H         PFF  18  -1.256   6.145  -1.261
  113    HA   PFF  18           HA       PFF  18   0.451   8.511  -1.887
  114   1HBC  PFF  18          HB2       PFF  18  -0.374   7.294   0.750
  115   2HBC  PFF  18          HB3       PFF  18   0.487   8.815   0.547
  116    HD1  PFF  18           HD1      PFF  18  -0.871  10.501  -1.185
  117    HD2  PFF  18           HD2      PFF  18  -2.676   7.292   1.051
  118    HE1  PFF  18           HE1      PFF  18  -3.125  11.312  -1.827
  119    HE2  PFF  18           HE2      PFF  18  -4.914   8.101   0.395
  120    H    GLY  19           H        GLY  19   0.799   5.317  -2.266
  121   1HA   GLY  19          HA3       GLY  19   2.688   4.032  -2.483
  122   2HA   GLY  19          HA2       GLY  19   3.675   5.381  -1.915
  123   1HN   PFF  20          H         PFF  20   2.388   5.671   0.645
  124    HA   PFF  20           HA       PFF  20   3.449   3.866   2.474
  125   1HBC  PFF  20          HB2       PFF  20   0.715   5.199   2.544
  126   2HBC  PFF  20          HB3       PFF  20   1.633   4.634   3.941
  127    HD1  PFF  20           HD1      PFF  20   4.308   5.613   3.546
  128    HD2  PFF  20           HD2      PFF  20   0.609   7.588   2.622
  129    HE1  PFF  20           HE1      PFF  20   5.311   7.786   4.200
  130    HE2  PFF  20           HE2      PFF  20   1.660   9.770   3.107
  131    H    CYS  21           H        CYS  21   2.476   2.084   3.774
  132    HA   CYS  21           HA       CYS  21   0.645   0.460   2.072
  133   1HB   CYS  21          HB2       CYS  21   2.177  -1.182   1.947
  134   2HB   CYS  21          HB1       CYS  21   3.114   0.147   1.787
  135    H    GLY  22           H        GLY  22  -0.294  -1.418   2.989
  136   1HA   GLY  22          HA3       GLY  22  -0.268  -2.239   5.678
  137   2HA   GLY  22          HA2       GLY  22  -1.403  -0.877   5.581
  138    H    LYS  23           H        LYS  23  -2.804  -2.834   6.296
  139    HA   LYS  23           HA       LYS  23  -3.893  -4.255   3.907
  140   1HB   LYS  23          HB2       LYS  23  -4.265  -4.821   6.792
  141   2HB   LYS  23          HB1       LYS  23  -4.949  -5.684   5.586
  142   1HG   LYS  23          HG2       LYS  23  -2.813  -6.367   4.834
  143   2HG   LYS  23          HG1       LYS  23  -2.100  -5.458   5.989
  144   1HD   LYS  23          HD2       LYS  23  -3.137  -6.841   7.666
  145   2HD   LYS  23          HD1       LYS  23  -3.743  -7.784   6.479
  146   1HE   LYS  23          HE2       LYS  23  -0.907  -7.363   6.758
  147   2HE   LYS  23          HE1       LYS  23  -1.658  -8.600   7.515
  148   1HZ   LYS  23          HZ1       LYS  23  -2.231  -9.574   5.499
  149   2HZ   LYS  23          HZ2       LYS  23  -1.743  -8.255   4.661
  150   3HZ   LYS  23          HZ3       LYS  23  -0.625  -9.202   5.402
  151    H    GLY  24           H        GLY  24  -4.538  -1.530   5.469
  152   1HA   GLY  24          HA3       GLY  24  -7.432  -1.772   5.823
  153   2HA   GLY  24          HA2       GLY  24  -6.505  -0.269   5.957
  154    HA   PRO  25           HA       PRO  25  -9.412  -0.947   2.151
  155   1HB   PRO  25          HB2       PRO  25 -10.236   1.728   3.106
  156   2HB   PRO  25          HB1       PRO  25 -11.131   0.606   2.326
  157   1HG   PRO  25          HG2       PRO  25 -11.303   0.702   4.901
  158   2HG   PRO  25          HG1       PRO  25 -11.234  -0.770   4.197
  159   1HD   PRO  25          HD2       PRO  25  -9.120   0.632   5.543
  160   2HD   PRO  25          HD1       PRO  25  -9.389  -0.979   5.520
  161    H    LYS  26           H        LYS  26  -8.051   2.363   2.810
  162    HA   LYS  26           HA       LYS  26  -7.587   2.887   0.044
  163   1HB   LYS  26          HB2       LYS  26  -6.497   4.136   2.497
  164   2HB   LYS  26          HB1       LYS  26  -6.234   4.732   0.999
  165   1HG   LYS  26          HG2       LYS  26  -8.564   5.038   0.692
  166   2HG   LYS  26          HG1       LYS  26  -8.855   4.391   2.163
  167   1HD   LYS  26          HD2       LYS  26  -9.047   6.698   2.373
  168   2HD   LYS  26          HD1       LYS  26  -7.681   6.252   3.151
  169   1HE   LYS  26          HE2       LYS  26  -6.365   7.005   1.351
  170   2HE   LYS  26          HE1       LYS  26  -7.703   7.346   0.479
  171   1HZ   LYS  26          HZ1       LYS  26  -6.960   8.692   2.927
  172   2HZ   LYS  26          HZ2       LYS  26  -6.843   9.389   1.482
  173   3HZ   LYS  26          HZ3       LYS  26  -8.302   9.039   2.021
  174    H    TYR  27           H        TYR  27  -5.750   0.833   2.121
  175    HA   TYR  27           HA       TYR  27  -3.343   1.081   0.379
  176   1HB   TYR  27          HB2       TYR  27  -3.793  -0.781   2.612
  177   2HB   TYR  27          HB1       TYR  27  -2.380  -0.452   1.862
  178    HD1  TYR  27           HD1      TYR  27  -1.221   1.783   2.199
  179    HD2  TYR  27           HD2      TYR  27  -4.622   0.481   4.470
  180    HE1  TYR  27           HE1      TYR  27  -0.442   3.137   4.154
  181    HE2  TYR  27           HE2      TYR  27  -3.835   1.845   6.422
  182    HH   TYR  27           HH       TYR  27  -0.829   3.712   6.330
  183    H    CYS  28           H        CYS  28  -5.710  -1.396   1.493
  184    HA   CYS  28           HA       CYS  28  -4.823  -3.070  -0.779
  185   1HB   CYS  28          HB2       CYS  28  -4.373  -3.298   1.780
  186   2HB   CYS  28          HB1       CYS  28  -5.809  -4.077   1.765
  187    H    GLY  29           H        GLY  29  -7.664  -1.529   0.258
  188   1HA   GLY  29          HA3       GLY  29  -9.485  -3.388  -1.165
  189   2HA   GLY  29          HA2       GLY  29  -9.836  -1.741  -0.593
  190    H    ARG  30           H        ARG  30  -7.556  -3.379  -2.742
  191    HA   ARG  30           HA       ARG  30  -6.430  -1.031  -3.444
  192   1HB   ARG  30          HB2       ARG  30  -5.466  -3.256  -3.570
  193   2HB   ARG  30          HB1       ARG  30  -6.211  -3.529  -4.998
  194   1HG   ARG  30          HG2       ARG  30  -3.899  -3.032  -5.265
  195   2HG   ARG  30          HG1       ARG  30  -4.852  -1.976  -6.067
  196   1HD   ARG  30          HD2       ARG  30  -3.829  -1.310  -3.464
  197   2HD   ARG  30          HD1       ARG  30  -2.941  -1.012  -4.802
  198    HE   ARG  30           HE       ARG  30  -5.239   0.117  -5.482
  199   1HH1  ARG  30          2HH2      ARG  30  -3.622   0.577  -2.378
  200   2HH1  ARG  30          1HH2      ARG  30  -4.624   1.950  -2.043
  201   1HH2  ARG  30          2HH1      ARG  30  -6.415   1.751  -4.964
  202   2HH2  ARG  30          1HH1      ARG  30  -6.172   2.597  -3.472
  203   1HN   NH2  31          1HN       NH2  31  -9.035  -2.483  -5.327
  204   2HN   NH2  31          2HN       NH2  31  -9.094  -1.190  -6.519
  205    H1   NAG  32           H1       NAG  32  -7.877  14.903   1.368
  206    H2   NAG  32           H2       NAG  32  -7.731  12.070   0.280
  207    H3   NAG  32           H3       NAG  32  -6.621  13.001   2.937
  208    H4   NAG  32           H4       NAG  32  -4.942  12.285   0.512
  209    H5   NAG  32           H5       NAG  32  -5.543  15.073   1.550
  210   1H6   NAG  32          1H6       NAG  32  -3.331  15.042   0.639
  211   2H6   NAG  32          2H6       NAG  32  -4.395  15.757  -0.574
  212   1H8   NAG  32          1H8       NAG  32 -11.469  10.561   2.754
  213   2H8   NAG  32          2H8       NAG  32 -10.805  11.856   3.783
  214   3H8   NAG  32          3H8       NAG  32 -11.642  12.257   2.249
  215    HN2  NAG  32           HN2      NAG  32  -9.458  13.358   2.326
  216    HO1  NAG  32           HO1      NAG  32  -8.220  14.643  -1.146
  217    HO3  NAG  32           HO3      NAG  32  -5.801  10.996   2.930
  218    HO6  NAG  32           HO6      NAG  32  -2.995  13.349  -0.590
  219    H1   NAG  33           H1       NAG  33  -3.219  11.269   1.668
  220    H2   NAG  33           H2       NAG  33  -2.320  12.606   4.242
  221    H3   NAG  33           H3       NAG  33  -1.112  10.350   2.600
  222    H4   NAG  33           H4       NAG  33  -2.333  10.258   5.390
  223    H5   NAG  33           H5       NAG  33  -3.653   9.237   2.844
  224   1H6   NAG  33          1H6       NAG  33  -4.644   9.726   5.695
  225   2H6   NAG  33          2H6       NAG  33  -4.200   8.142   5.039
  226   1H8   NAG  33          1H8       NAG  33   1.048  13.738   1.164
  227   2H8   NAG  33          2H8       NAG  33   0.077  14.257  -0.234
  228   3H8   NAG  33          3H8       NAG  33  -0.042  15.155   1.300
  229    HN2  NAG  33           HN2      NAG  33  -0.430  13.535   3.127
  230    HO3  NAG  33           HO3      NAG  33   0.060  10.246   4.691
  231    HO6  NAG  33           HO6      NAG  33  -6.468   8.812   5.119
  232    H1   NAG  34           H1       NAG  34  -1.834   8.164   6.337
  233    H2   NAG  34           H2       NAG  34  -0.140   6.533   4.399
  234    H3   NAG  34           H3       NAG  34  -0.556   6.157   7.370
  235    H4   NAG  34           H4       NAG  34   1.902   7.040   5.724
  236    H5   NAG  34           H5       NAG  34   0.137   8.421   7.790
  237   1H6   NAG  34          1H6       NAG  34   1.579  10.351   7.475
  238   2H6   NAG  34          2H6       NAG  34   2.553   9.492   6.274
  239   1H8   NAG  34          1H8       NAG  34  -3.759   3.980   3.142
  240   2H8   NAG  34          2H8       NAG  34  -4.110   4.459   4.821
  241   3H8   NAG  34          3H8       NAG  34  -4.550   5.546   3.474
  242    HN2  NAG  34           HN2      NAG  34  -2.460   5.361   5.849
  243    HO4  NAG  34           HO4      NAG  34   2.597   7.141   8.073
  244    HO3  NAG  34           HO3      NAG  34   1.346   4.873   6.860
  245    HO6  NAG  34           HO6      NAG  34   3.466   9.569   8.408
  Start of MODEL   10
    1   1H    VAL   1           H1       VAL   1   8.248   8.056   7.197
    2   2H    VAL   1           H2       VAL   1   6.617   7.703   7.175
    3   3H    VAL   1           H3       VAL   1   7.545   7.457   5.852
    4    HA   VAL   1           HA       VAL   1   8.692   5.674   6.779
    5    HB   VAL   1           HB       VAL   1   7.133   6.241   9.345
    6   1HG1  VAL   1          1HG1      VAL   1   8.624   4.467  10.283
    7   2HG1  VAL   1          2HG1      VAL   1   7.545   3.826   9.048
    8   3HG1  VAL   1          3HG1      VAL   1   9.253   4.148   8.656
    9   1HG2  VAL   1          1HG2      VAL   1   9.415   6.671  10.293
   10   2HG2  VAL   1          2HG2      VAL   1  10.083   6.614   8.654
   11   3HG2  VAL   1          3HG2      VAL   1   8.934   7.892   9.125
   12    H    GLY   2           H        GLY   2   7.841   3.674   6.290
   13   1HA   GLY   2          HA3       GLY   2   6.057   2.052   6.121
   14   2HA   GLY   2          HA2       GLY   2   4.867   3.349   6.245
   15    H    GLU   3           H        GLU   3   7.299   4.464   4.199
   16    HA   GLU   3           HA       GLU   3   5.763   4.401   1.832
   17   1HB   GLU   3          HB2       GLU   3   8.661   4.796   2.261
   18   2HB   GLU   3          HB1       GLU   3   7.900   5.087   0.846
   19   1HG   GLU   3          HG2       GLU   3   8.068   7.141   1.772
   20   2HG   GLU   3          HG1       GLU   3   6.531   6.705   2.111
   21    H    CYS   4           H        CYS   4   5.360   2.725   0.423
   22    HA   CYS   4           HA       CYS   4   6.608   0.197   0.963
   23   1HB   CYS   4          HB2       CYS   4   5.116  -0.565  -0.697
   24   2HB   CYS   4          HB1       CYS   4   4.320   0.546   0.199
   25    H    VAL   5           H        VAL   5   7.288  -1.274  -0.672
   26    HA   VAL   5           HA       VAL   5   9.407  -0.228  -2.467
   27    HB   VAL   5           HB       VAL   5   8.541  -3.097  -1.944
   28   1HG1  VAL   5          1HG1      VAL   5  10.811  -3.625  -2.819
   29   2HG1  VAL   5          2HG1      VAL   5   9.874  -2.781  -4.051
   30   3HG1  VAL   5          3HG1      VAL   5  11.104  -1.902  -3.122
   31   1HG2  VAL   5          1HG2      VAL   5  10.747  -1.449  -0.652
   32   2HG2  VAL   5          2HG2      VAL   5   9.326  -2.139   0.160
   33   3HG2  VAL   5          3HG2      VAL   5  10.566  -3.208  -0.497
   34    H    ARG   6           H        ARG   6   7.247   0.857  -3.161
   35    HA   ARG   6           HA       ARG   6   5.717   1.347  -4.765
   36   1HB   ARG   6          HB2       ARG   6   7.759   0.113  -6.502
   37   2HB   ARG   6          HB1       ARG   6   6.671   1.248  -6.945
   38   1HG   ARG   6          HG2       ARG   6   8.850   1.662  -5.100
   39   2HG   ARG   6          HG1       ARG   6   8.776   2.261  -6.618
   40   1HD   ARG   6          HD2       ARG   6   8.161   4.083  -5.510
   41   2HD   ARG   6          HD1       ARG   6   6.687   3.406  -5.702
   42    HE   ARG   6           HE       ARG   6   7.954   2.668  -3.233
   43   1HH1  ARG   6          2HH2      ARG   6   5.925   5.170  -4.659
   44   2HH1  ARG   6          1HH2      ARG   6   5.349   5.666  -3.103
   45   1HH2  ARG   6          2HH1      ARG   6   7.130   3.294  -1.343
   46   2HH2  ARG   6          1HH1      ARG   6   6.020   4.621  -1.258
   47    H    GLY   7           H        GLY   7   5.149  -0.833  -3.479
   48   1HA   GLY   7          HA3       GLY   7   2.850  -1.955  -4.178
   49   2HA   GLY   7          HA2       GLY   7   3.842  -2.751  -5.400
   50    H    ARG   8           H        ARG   8   6.093  -2.782  -3.065
   51    HA   ARG   8           HA       ARG   8   4.818  -4.991  -1.555
   52   1HB   ARG   8          HB2       ARG   8   7.296  -4.937  -3.073
   53   2HB   ARG   8          HB1       ARG   8   7.289  -5.821  -1.699
   54   1HG   ARG   8          HG2       ARG   8   5.141  -6.171  -3.549
   55   2HG   ARG   8          HG1       ARG   8   6.566  -6.897  -3.880
   56   1HD   ARG   8          HD2       ARG   8   4.921  -8.308  -2.783
   57   2HD   ARG   8          HD1       ARG   8   6.394  -8.283  -2.078
   58    HE   ARG   8           HE       ARG   8   5.438  -7.682  -0.125
   59   1HH1  ARG   8          2HH2      ARG   8   3.197  -6.368  -2.545
   60   2HH1  ARG   8          1HH2      ARG   8   1.917  -6.372  -1.378
   61   1HH2  ARG   8          2HH1      ARG   8   3.782  -7.634   1.194
   62   2HH2  ARG   8          1HH1      ARG   8   2.238  -7.058   0.661
   63    H    CYS   9           H        CYS   9   5.950  -5.774   0.191
   64    HA   CYS   9           HA       CYS   9   7.150  -4.430   2.294
   65   1HB   CYS   9          HB2       CYS   9   4.645  -3.376   1.551
   66   2HB   CYS   9          HB1       CYS   9   4.436  -4.182   2.956
   67    HA   PRO  10           HA       PRO  10   6.440  -8.274   4.188
   68   1HB   PRO  10          HB2       PRO  10   4.567  -7.215   6.202
   69   2HB   PRO  10          HB1       PRO  10   5.866  -8.181   6.419
   70   1HG   PRO  10          HG2       PRO  10   6.145  -5.659   6.888
   71   2HG   PRO  10          HG1       PRO  10   7.356  -6.427   6.105
   72   1HD   PRO  10          HD2       PRO  10   5.298  -4.772   4.957
   73   2HD   PRO  10          HD1       PRO  10   6.873  -4.835   4.530
   74    H    SER  11           H        SER  11   4.858  -9.845   5.273
   75    HA   SER  11           HA       SER  11   3.572 -11.421   3.618
   76   1HB   SER  11          HB2       SER  11   2.249 -12.135   5.524
   77   2HB   SER  11          HB1       SER  11   3.795 -11.846   5.963
   78    HG   SER  11           HG       SER  11   1.735 -10.032   6.232
   79    H    GLY  12           H        GLY  12   2.353 -10.690   1.930
   80   1HA   GLY  12          HA3       GLY  12   0.355 -10.313   0.840
   81   2HA   GLY  12          HA2       GLY  12  -0.440 -10.612   2.386
   82    H    MET  13           H        MET  13   1.659  -7.899   2.728
   83    HA   MET  13           HA       MET  13  -0.631  -6.128   2.902
   84   1HB   MET  13          HB2       MET  13   2.261  -5.507   2.899
   85   2HB   MET  13          HB1       MET  13   1.079  -4.450   3.291
   86   1HG   MET  13          HG2       MET  13   0.443  -5.895   5.098
   87   2HG   MET  13          HG1       MET  13   1.708  -6.862   4.736
   88   1HE   MET  13          HE1       MET  13   2.718  -5.311   8.173
   89   2HE   MET  13          HE2       MET  13   1.057  -5.662   7.644
   90   3HE   MET  13          HE3       MET  13   2.361  -6.823   7.304
   91    H    CYS  14           H        CYS  14  -0.675  -3.973   1.793
   92    HA   CYS  14           HA       CYS  14  -0.061  -4.154  -1.125
   93   1HB   CYS  14          HB2       CYS  14  -2.480  -2.984   0.081
   94   2HB   CYS  14          HB1       CYS  14  -2.213  -3.348  -1.489
   95    H    CYS  15           H        CYS  15  -0.387  -1.801  -2.069
   96    HA   CYS  15           HA       CYS  15   0.687   0.169  -0.114
   97   1HB   CYS  15          HB2       CYS  15   2.392  -0.707  -1.614
   98   2HB   CYS  15          HB1       CYS  15   1.578  -0.116  -2.901
   99    H    SER  16           H        SER  16  -0.079   2.215  -0.171
  100    HA   SER  16           HA       SER  16  -2.638   2.652  -1.486
  101   1HB   SER  16          HB2       SER  16  -2.522   4.720  -0.269
  102   2HB   SER  16          HB1       SER  16  -2.067   3.515   0.736
  103    HG   SER  16           HG       SER  16  -0.735   5.223   1.021
  104    H    GLN  17           H        GLN  17  -3.105   4.665  -2.771
  105    HA   GLN  17           HA       GLN  17  -1.157   5.109  -4.825
  106   1HB   GLN  17          HB2       GLN  17  -3.561   6.687  -4.109
  107   2HB   GLN  17          HB1       GLN  17  -2.731   6.821  -5.509
  108   1HG   GLN  17          HG2       GLN  17  -4.470   5.541  -6.133
  109   2HG   GLN  17          HG1       GLN  17  -3.325   4.416  -5.832
  110   1HE2  GLN  17          1HE2      GLN  17  -5.651   3.222  -5.842
  111   2HE2  GLN  17          2HE2      GLN  17  -6.255   3.021  -4.193
  112   1HN   PFF  18          H         PFF  18  -1.351   6.322  -1.631
  113    HA   PFF  18           HA       PFF  18   0.302   8.705  -2.213
  114   1HBC  PFF  18          HB2       PFF  18  -0.522   7.489   0.441
  115   2HBC  PFF  18          HB3       PFF  18   0.206   9.072   0.177
  116    HD1  PFF  18           HD1      PFF  18  -1.144  10.609  -1.580
  117    HD2  PFF  18           HD2      PFF  18  -2.843   7.406   0.749
  118    HE1  PFF  18           HE1      PFF  18  -3.415  11.566  -1.916
  119    HE2  PFF  18           HE2      PFF  18  -5.106   8.387   0.439
  120    H    GLY  19           H        GLY  19   0.850   5.366  -2.070
  121   1HA   GLY  19          HA3       GLY  19   2.935   4.446  -2.455
  122   2HA   GLY  19          HA2       GLY  19   3.710   5.927  -1.887
  123   1HN   PFF  20          H         PFF  20   1.338   4.554   0.326
  124    HA   PFF  20           HA       PFF  20   3.610   3.638   2.044
  125   1HBC  PFF  20          HB2       PFF  20   0.880   4.793   2.677
  126   2HBC  PFF  20          HB3       PFF  20   1.955   4.097   3.870
  127    HD1  PFF  20           HD1      PFF  20   1.403   6.970   1.632
  128    HD2  PFF  20           HD2      PFF  20   4.022   5.225   4.572
  129    HE1  PFF  20           HE1      PFF  20   2.421   9.194   2.047
  130    HE2  PFF  20           HE2      PFF  20   5.073   7.437   4.942
  131    H    CYS  21           H        CYS  21   3.265   1.792   3.408
  132    HA   CYS  21           HA       CYS  21   1.767  -0.298   2.040
  133   1HB   CYS  21          HB2       CYS  21   3.406  -0.411   4.489
  134   2HB   CYS  21          HB1       CYS  21   2.862  -1.704   3.652
  135    H    GLY  22           H        GLY  22  -0.044  -1.438   2.699
  136   1HA   GLY  22          HA3       GLY  22  -0.424  -2.179   5.369
  137   2HA   GLY  22          HA2       GLY  22  -1.567  -0.854   5.062
  138    H    LYS  23           H        LYS  23  -2.875  -3.090   5.572
  139    HA   LYS  23           HA       LYS  23  -3.764  -3.927   2.833
  140   1HB   LYS  23          HB2       LYS  23  -2.935  -5.687   4.518
  141   2HB   LYS  23          HB1       LYS  23  -4.424  -5.550   5.175
  142   1HG   LYS  23          HG2       LYS  23  -5.447  -6.236   3.211
  143   2HG   LYS  23          HG1       LYS  23  -4.060  -6.081   2.364
  144   1HD   LYS  23          HD2       LYS  23  -3.134  -7.919   3.597
  145   2HD   LYS  23          HD1       LYS  23  -4.561  -8.096   4.370
  146   1HE   LYS  23          HE2       LYS  23  -4.444  -9.673   2.622
  147   2HE   LYS  23          HE1       LYS  23  -5.612  -8.586   2.274
  148   1HZ   LYS  23          HZ1       LYS  23  -4.206  -7.488   0.773
  149   2HZ   LYS  23          HZ2       LYS  23  -2.949  -8.437   1.212
  150   3HZ   LYS  23          HZ3       LYS  23  -4.216  -9.086   0.384
  151    H    GLY  24           H        GLY  24  -4.471  -1.719   4.884
  152   1HA   GLY  24          HA3       GLY  24  -7.329  -2.094   5.331
  153   2HA   GLY  24          HA2       GLY  24  -6.372  -0.661   5.725
  154    HA   PRO  25           HA       PRO  25  -9.485  -0.355   2.229
  155   1HB   PRO  25          HB2       PRO  25 -10.947   1.677   3.229
  156   2HB   PRO  25          HB1       PRO  25 -11.202   0.113   3.625
  157   1HG   PRO  25          HG2       PRO  25  -9.727   2.081   5.154
  158   2HG   PRO  25          HG1       PRO  25 -10.813   1.002   5.724
  159   1HD   PRO  25          HD2       PRO  25  -8.290   0.455   5.918
  160   2HD   PRO  25          HD1       PRO  25  -9.336  -0.749   5.566
  161    H    LYS  26           H        LYS  26  -7.072   1.899   3.206
  162    HA   LYS  26           HA       LYS  26  -7.391   3.085   0.507
  163   1HB   LYS  26          HB2       LYS  26  -6.529   4.304   3.009
  164   2HB   LYS  26          HB1       LYS  26  -5.749   4.783   1.657
  165   1HG   LYS  26          HG2       LYS  26  -8.608   4.834   1.718
  166   2HG   LYS  26          HG1       LYS  26  -7.774   6.070   2.384
  167   1HD   LYS  26          HD2       LYS  26  -8.286   6.775   0.265
  168   2HD   LYS  26          HD1       LYS  26  -6.705   6.371   0.206
  169   1HE   LYS  26          HE2       LYS  26  -8.537   4.358  -0.568
  170   2HE   LYS  26          HE1       LYS  26  -8.360   5.609  -1.603
  171   1HZ   LYS  26          HZ1       LYS  26  -6.926   3.646  -2.019
  172   2HZ   LYS  26          HZ2       LYS  26  -6.155   5.067  -2.035
  173   3HZ   LYS  26          HZ3       LYS  26  -6.048   4.119  -0.726
  174    H    TYR  27           H        TYR  27  -5.574   0.808   2.155
  175    HA   TYR  27           HA       TYR  27  -3.046   1.532   0.736
  176   1HB   TYR  27          HB2       TYR  27  -3.601  -0.605   2.687
  177   2HB   TYR  27          HB1       TYR  27  -2.145  -0.274   2.026
  178    HD1  TYR  27           HD1      TYR  27  -1.155   2.091   2.368
  179    HD2  TYR  27           HD2      TYR  27  -4.386   0.482   4.690
  180    HE1  TYR  27           HE1      TYR  27  -0.487   3.536   4.291
  181    HE2  TYR  27           HE2      TYR  27  -3.801   2.048   6.556
  182    HH   TYR  27           HH       TYR  27  -1.001   4.215   6.385
  183    H    CYS  28           H        CYS  28  -5.392  -1.241   1.062
  184    HA   CYS  28           HA       CYS  28  -4.058  -2.437  -1.254
  185   1HB   CYS  28          HB2       CYS  28  -5.082  -3.540   0.830
  186   2HB   CYS  28          HB1       CYS  28  -6.455  -3.536  -0.054
  187    H    GLY  29           H        GLY  29  -4.475  -0.367  -2.287
  188   1HA   GLY  29          HA3       GLY  29  -5.383   0.787  -4.085
  189   2HA   GLY  29          HA2       GLY  29  -6.484  -0.569  -4.385
  190    H    ARG  30           H        ARG  30  -8.149  -0.830  -2.702
  191    HA   ARG  30           HA       ARG  30  -9.003   1.448  -1.119
  192   1HB   ARG  30          HB2       ARG  30 -10.263   0.977  -3.623
  193   2HB   ARG  30          HB1       ARG  30 -11.359   0.849  -2.418
  194   1HG   ARG  30          HG2       ARG  30  -9.673   3.108  -2.247
  195   2HG   ARG  30          HG1       ARG  30 -10.719   3.132  -3.502
  196   1HD   ARG  30          HD2       ARG  30 -11.518   4.242  -1.479
  197   2HD   ARG  30          HD1       ARG  30 -12.543   3.134  -2.104
  198    HE   ARG  30           HE       ARG  30 -10.850   2.073  -0.036
  199   1HH1  ARG  30          2HH2      ARG  30 -13.856   3.841  -0.399
  200   2HH1  ARG  30          1HH2      ARG  30 -14.652   2.877   0.800
  201   1HH2  ARG  30          2HH1      ARG  30 -11.992   0.723   1.270
  202   2HH2  ARG  30          1HH1      ARG  30 -13.610   1.134   1.732
  203   1HN   NH2  31          1HN       NH2  31  -8.627  -1.885  -1.320
  204   2HN   NH2  31          2HN       NH2  31  -9.816  -2.284  -0.100
  205    H1   NAG  32           H1       NAG  32  -7.366  15.955   1.447
  206    H2   NAG  32           H2       NAG  32  -7.557  13.008   0.679
  207    H3   NAG  32           H3       NAG  32  -6.047  14.290   2.982
  208    H4   NAG  32           H4       NAG  32  -4.987  12.903   0.477
  209    H5   NAG  32           H5       NAG  32  -4.916  15.822   1.367
  210   1H6   NAG  32          1H6       NAG  32  -4.027  16.139  -0.991
  211   2H6   NAG  32          2H6       NAG  32  -3.797  14.387  -1.082
  212   1H8   NAG  32          1H8       NAG  32 -10.558  12.365   3.671
  213   2H8   NAG  32          2H8       NAG  32 -10.710  14.125   3.980
  214   3H8   NAG  32          3H8       NAG  32 -11.810  13.318   2.836
  215    HN2  NAG  32           HN2      NAG  32  -8.353  13.512   3.369
  216    HO1  NAG  32           HO1      NAG  32  -9.180  14.815   0.156
  217    HO3  NAG  32           HO3      NAG  32  -5.339  12.109   3.144
  218    HO6  NAG  32           HO6      NAG  32  -2.486  16.305   0.527
  219    H1   NAG  33           H1       NAG  33  -3.293  11.676   1.244
  220    H2   NAG  33           H2       NAG  33  -1.438  13.099   3.158
  221    H3   NAG  33           H3       NAG  33  -1.022  10.481   1.684
  222    H4   NAG  33           H4       NAG  33  -1.438  10.879   4.662
  223    H5   NAG  33           H5       NAG  33  -3.348   9.756   2.561
  224   1H6   NAG  33          1H6       NAG  33  -3.684   8.604   4.658
  225   2H6   NAG  33          2H6       NAG  33  -5.006   9.747   4.402
  226   1H8   NAG  33          1H8       NAG  33   0.309  14.761  -0.581
  227   2H8   NAG  33          2H8       NAG  33   0.851  13.375  -1.564
  228   3H8   NAG  33          3H8       NAG  33  -0.883  13.803  -1.502
  229    HN2  NAG  33           HN2      NAG  33  -1.626  14.000   0.774
  230    HO3  NAG  33           HO3      NAG  33   0.842  11.481   2.054
  231    HO6  NAG  33           HO6      NAG  33  -3.922  11.187   5.817
  232    H1   NAG  34           H1       NAG  34  -1.533   8.773   5.769
  233    H2   NAG  34           H2       NAG  34   0.164   6.849   4.131
  234    H3   NAG  34           H3       NAG  34  -0.646   6.734   7.065
  235    H4   NAG  34           H4       NAG  34   2.046   7.199   5.690
  236    H5   NAG  34           H5       NAG  34   0.275   8.974   7.415
  237   1H6   NAG  34          1H6       NAG  34   1.980  10.678   7.081
  238   2H6   NAG  34          2H6       NAG  34   2.944   9.590   6.069
  239   1H8   NAG  34          1H8       NAG  34  -3.767   4.680   4.310
  240   2H8   NAG  34          2H8       NAG  34  -4.279   6.049   3.279
  241   3H8   NAG  34          3H8       NAG  34  -3.571   4.574   2.547
  242    HN2  NAG  34           HN2      NAG  34  -2.498   6.192   5.407
  243    HO4  NAG  34           HO4      NAG  34   2.532   7.446   8.063
  244    HO3  NAG  34           HO3      NAG  34   1.176   5.247   6.885
  245    HO6  NAG  34           HO6      NAG  34   3.556   9.859   8.353
  Start of MODEL   11
    1   1H    VAL   1           H1       VAL   1  10.270   7.309   5.578
    2   2H    VAL   1           H2       VAL   1   8.683   7.561   6.006
    3   3H    VAL   1           H3       VAL   1   9.086   6.680   4.671
    4    HA   VAL   1           HA       VAL   1   9.973   4.923   5.914
    5    HB   VAL   1           HB       VAL   1   9.350   6.595   8.389
    6   1HG1  VAL   1          1HG1      VAL   1  10.494   4.715   9.567
    7   2HG1  VAL   1          2HG1      VAL   1   9.006   4.175   8.791
    8   3HG1  VAL   1          3HG1      VAL   1  10.579   3.815   8.040
    9   1HG2  VAL   1          1HG2      VAL   1  11.828   6.464   8.720
   10   2HG2  VAL   1          2HG2      VAL   1  11.990   5.766   7.100
   11   3HG2  VAL   1          3HG2      VAL   1  11.394   7.433   7.317
   12    H    GLY   2           H        GLY   2   8.475   3.592   5.391
   13   1HA   GLY   2          HA3       GLY   2   6.424   2.302   6.198
   14   2HA   GLY   2          HA2       GLY   2   5.658   3.870   6.453
   15    H    GLU   3           H        GLU   3   7.631   3.950   3.715
   16    HA   GLU   3           HA       GLU   3   5.397   3.949   1.809
   17   1HB   GLU   3          HB2       GLU   3   7.145   4.628   0.293
   18   2HB   GLU   3          HB1       GLU   3   6.969   5.648   1.556
   19   1HG   GLU   3          HG2       GLU   3   9.106   3.735   1.475
   20   2HG   GLU   3          HG1       GLU   3   9.271   5.226   0.828
   21    H    CYS   4           H        CYS   4   5.217   2.533   0.015
   22    HA   CYS   4           HA       CYS   4   6.073  -0.134   0.731
   23   1HB   CYS   4          HB2       CYS   4   4.830  -0.745  -1.198
   24   2HB   CYS   4          HB1       CYS   4   3.968   0.297  -0.282
   25    H    VAL   5           H        VAL   5   7.008  -1.610  -0.647
   26    HA   VAL   5           HA       VAL   5   9.544  -0.722  -1.861
   27    HB   VAL   5           HB       VAL   5   8.398  -3.530  -1.534
   28   1HG1  VAL   5          1HG1      VAL   5  10.786  -4.203  -1.774
   29   2HG1  VAL   5          2HG1      VAL   5  10.223  -3.392  -3.236
   30   3HG1  VAL   5          3HG1      VAL   5  11.238  -2.514  -2.071
   31   1HG2  VAL   5          1HG2      VAL   5   8.681  -2.504   0.672
   32   2HG2  VAL   5          2HG2      VAL   5   9.965  -3.683   0.393
   33   3HG2  VAL   5          3HG2      VAL   5  10.308  -1.949   0.231
   34    H    ARG   6           H        ARG   6   8.061   0.509  -3.323
   35    HA   ARG   6           HA       ARG   6   7.145   0.947  -5.344
   36   1HB   ARG   6          HB2       ARG   6   8.506  -0.008  -7.221
   37   2HB   ARG   6          HB1       ARG   6   9.199   1.033  -6.171
   38   1HG   ARG   6          HG2       ARG   6  10.778  -0.513  -6.738
   39   2HG   ARG   6          HG1       ARG   6  10.358  -0.799  -5.186
   40   1HD   ARG   6          HD2       ARG   6  10.699  -2.712  -6.828
   41   2HD   ARG   6          HD1       ARG   6   9.596  -2.823  -5.629
   42    HE   ARG   6           HE       ARG   6   7.847  -2.555  -7.085
   43   1HH1  ARG   6          2HH2      ARG   6  10.799  -2.495  -8.989
   44   2HH1  ARG   6          1HH2      ARG   6   9.923  -2.045 -10.413
   45   1HH2  ARG   6          2HH1      ARG   6   6.850  -1.880  -8.801
   46   2HH2  ARG   6          1HH1      ARG   6   7.686  -1.695 -10.306
   47    H    GLY   7           H        GLY   7   5.773  -0.766  -4.009
   48   1HA   GLY   7          HA3       GLY   7   3.563  -1.589  -5.213
   49   2HA   GLY   7          HA2       GLY   7   4.632  -2.747  -5.978
   50    H    ARG   8           H        ARG   8   6.190  -3.005  -3.263
   51    HA   ARG   8           HA       ARG   8   4.168  -4.846  -2.024
   52   1HB   ARG   8          HB2       ARG   8   6.830  -5.313  -3.093
   53   2HB   ARG   8          HB1       ARG   8   6.506  -6.073  -1.684
   54   1HG   ARG   8          HG2       ARG   8   4.453  -6.306  -3.591
   55   2HG   ARG   8          HG1       ARG   8   5.844  -7.036  -4.038
   56   1HD   ARG   8          HD2       ARG   8   4.285  -8.509  -2.921
   57   2HD   ARG   8          HD1       ARG   8   5.767  -8.473  -2.235
   58    HE   ARG   8           HE       ARG   8   4.848  -7.841  -0.254
   59   1HH1  ARG   8          2HH2      ARG   8   2.539  -6.795  -2.729
   60   2HH1  ARG   8          1HH2      ARG   8   1.309  -6.586  -1.528
   61   1HH2  ARG   8          2HH1      ARG   8   3.232  -7.534   1.124
   62   2HH2  ARG   8          1HH1      ARG   8   1.687  -6.985   0.565
   63    H    CYS   9           H        CYS   9   5.055  -5.821   0.013
   64    HA   CYS   9           HA       CYS   9   6.591  -4.504   1.928
   65   1HB   CYS   9          HB2       CYS   9   4.023  -3.397   1.489
   66   2HB   CYS   9          HB1       CYS   9   4.042  -4.100   2.963
   67    HA   PRO  10           HA       PRO  10   5.825  -8.315   4.041
   68   1HB   PRO  10          HB2       PRO  10   4.074  -7.075   6.067
   69   2HB   PRO  10          HB1       PRO  10   5.284  -8.151   6.284
   70   1HG   PRO  10          HG2       PRO  10   5.818  -5.665   6.695
   71   2HG   PRO  10          HG1       PRO  10   6.923  -6.547   5.877
   72   1HD   PRO  10          HD2       PRO  10   4.973  -4.727   4.781
   73   2HD   PRO  10          HD1       PRO  10   6.520  -4.928   4.299
   74    H    SER  11           H        SER  11   4.134  -9.798   5.163
   75    HA   SER  11           HA       SER  11   2.580 -11.112   3.381
   76   1HB   SER  11          HB2       SER  11   1.454 -11.966   5.378
   77   2HB   SER  11          HB1       SER  11   3.071 -11.889   5.597
   78    HG   SER  11           HG       SER  11   1.313  -9.916   6.392
   79    H    GLY  12           H        GLY  12   1.080 -10.213   2.022
   80   1HA   GLY  12          HA3       GLY  12  -1.110  -9.685   1.468
   81   2HA   GLY  12          HA2       GLY  12  -1.506  -9.644   3.186
   82    H    MET  13           H        MET  13   1.084  -7.485   2.653
   83    HA   MET  13           HA       MET  13  -0.702  -5.184   2.895
   84   1HB   MET  13          HB2       MET  13   2.215  -5.254   2.416
   85   2HB   MET  13          HB1       MET  13   1.355  -3.983   2.975
   86   1HG   MET  13          HG2       MET  13   1.586  -6.435   4.447
   87   2HG   MET  13          HG1       MET  13   2.629  -5.196   4.658
   88   1HE   MET  13          HE1       MET  13   0.596  -5.341   7.984
   89   2HE   MET  13          HE2       MET  13   1.037  -6.713   6.942
   90   3HE   MET  13          HE3       MET  13   2.225  -5.431   7.279
   91    H    CYS  14           H        CYS  14  -0.505  -3.270   1.486
   92    HA   CYS  14           HA       CYS  14   0.585  -3.648  -1.248
   93   1HB   CYS  14          HB2       CYS  14  -2.125  -2.604  -0.714
   94   2HB   CYS  14          HB1       CYS  14  -1.372  -2.593  -2.163
   95    H    CYS  15           H        CYS  15   0.571  -1.374  -2.355
   96    HA   CYS  15           HA       CYS  15   1.417   0.777  -0.555
   97   1HB   CYS  15          HB2       CYS  15   0.695   0.833  -3.420
   98   2HB   CYS  15          HB1       CYS  15   1.566   1.953  -2.610
   99    H    SER  16           H        SER  16   0.259   2.817  -0.358
  100    HA   SER  16           HA       SER  16  -2.575   2.840  -1.238
  101   1HB   SER  16          HB2       SER  16  -2.848   4.702   0.032
  102   2HB   SER  16          HB1       SER  16  -1.929   3.739   0.978
  103    HG   SER  16           HG       SER  16  -1.015   5.620   1.163
  104    H    GLN  17           H        GLN  17  -3.272   4.670  -2.561
  105    HA   GLN  17           HA       GLN  17  -1.552   5.652  -4.590
  106   1HB   GLN  17          HB2       GLN  17  -3.349   7.234  -4.912
  107   2HB   GLN  17          HB1       GLN  17  -3.860   5.683  -4.863
  108   1HG   GLN  17          HG2       GLN  17  -3.938   7.036  -2.393
  109   2HG   GLN  17          HG1       GLN  17  -5.001   7.584  -3.506
  110   1HE2  GLN  17          1HE2      GLN  17  -6.999   6.922  -2.642
  111   2HE2  GLN  17          2HE2      GLN  17  -7.296   5.200  -2.389
  112   1HN   PFF  18          H         PFF  18  -1.181   6.304  -1.306
  113    HA   PFF  18           HA       PFF  18   0.220   8.854  -1.910
  114   1HBC  PFF  18          HB2       PFF  18  -0.547   7.919   0.851
  115   2HBC  PFF  18          HB3       PFF  18  -0.164   9.543   0.292
  116    HD1  PFF  18           HD1      PFF  18  -2.774   7.281   1.132
  117    HD2  PFF  18           HD2      PFF  18  -1.864  10.499  -1.577
  118    HE1  PFF  18           HE1      PFF  18  -5.173   7.535   0.631
  119    HE2  PFF  18           HE2      PFF  18  -4.285  10.774  -2.057
  120    H    GLY  19           H        GLY  19   0.961   5.765  -2.114
  121   1HA   GLY  19          HA3       GLY  19   3.066   4.856  -2.262
  122   2HA   GLY  19          HA2       GLY  19   3.754   6.310  -1.537
  123   1HN   PFF  20          H         PFF  20   2.210   6.121   0.942
  124    HA   PFF  20           HA       PFF  20   3.635   4.342   2.604
  125   1HBC  PFF  20          HB2       PFF  20   0.880   5.550   2.789
  126   2HBC  PFF  20          HB3       PFF  20   1.543   4.518   4.056
  127    HD1  PFF  20           HD1      PFF  20   1.775   7.845   2.516
  128    HD2  PFF  20           HD2      PFF  20   3.626   5.086   5.260
  129    HE1  PFF  20           HE1      PFF  20   3.083   9.705   3.507
  130    HE2  PFF  20           HE2      PFF  20   4.958   6.946   6.226
  131    H    CYS  21           H        CYS  21   3.206   2.228   3.483
  132    HA   CYS  21           HA       CYS  21   1.388   0.625   1.730
  133   1HB   CYS  21          HB2       CYS  21   2.908  -0.964   1.686
  134   2HB   CYS  21          HB1       CYS  21   3.939   0.280   1.928
  135    H    GLY  22           H        GLY  22   0.220  -1.177   2.623
  136   1HA   GLY  22          HA3       GLY  22   0.185  -1.814   5.401
  137   2HA   GLY  22          HA2       GLY  22  -1.061  -0.594   5.102
  138    H    LYS  23           H        LYS  23  -2.002  -2.840   6.037
  139    HA   LYS  23           HA       LYS  23  -2.761  -4.646   3.863
  140   1HB   LYS  23          HB2       LYS  23  -2.176  -5.108   6.393
  141   2HB   LYS  23          HB1       LYS  23  -3.794  -4.973   6.574
  142   1HG   LYS  23          HG2       LYS  23  -2.745  -6.805   4.652
  143   2HG   LYS  23          HG1       LYS  23  -2.819  -7.243   6.224
  144   1HD   LYS  23          HD2       LYS  23  -4.922  -7.757   6.055
  145   2HD   LYS  23          HD1       LYS  23  -5.277  -6.314   5.379
  146   1HE   LYS  23          HE2       LYS  23  -4.333  -8.605   3.905
  147   2HE   LYS  23          HE1       LYS  23  -5.891  -8.115   3.943
  148   1HZ   LYS  23          HZ1       LYS  23  -5.070  -7.291   1.974
  149   2HZ   LYS  23          HZ2       LYS  23  -5.089  -5.998   3.009
  150   3HZ   LYS  23          HZ3       LYS  23  -3.680  -6.808   2.681
  151    H    GLY  24           H        GLY  24  -4.090  -2.047   5.357
  152   1HA   GLY  24          HA3       GLY  24  -6.890  -2.822   5.289
  153   2HA   GLY  24          HA2       GLY  24  -6.269  -1.247   5.793
  154    HA   PRO  25           HA       PRO  25  -9.026  -1.528   1.920
  155   1HB   PRO  25          HB2       PRO  25  -9.896   0.989   3.202
  156   2HB   PRO  25          HB1       PRO  25 -10.776  -0.047   2.296
  157   1HG   PRO  25          HG2       PRO  25 -10.896  -0.303   4.862
  158   2HG   PRO  25          HG1       PRO  25 -10.793  -1.666   3.967
  159   1HD   PRO  25          HD2       PRO  25  -8.701  -0.386   5.459
  160   2HD   PRO  25          HD1       PRO  25  -8.912  -1.987   5.214
  161    H    LYS  26           H        LYS  26  -7.899   1.799   2.813
  162    HA   LYS  26           HA       LYS  26  -7.508   2.571   0.110
  163   1HB   LYS  26          HB2       LYS  26  -6.450   3.741   2.613
  164   2HB   LYS  26          HB1       LYS  26  -6.393   4.480   1.158
  165   1HG   LYS  26          HG2       LYS  26  -8.805   4.392   1.074
  166   2HG   LYS  26          HG1       LYS  26  -8.802   3.784   2.590
  167   1HD   LYS  26          HD2       LYS  26  -9.269   6.057   2.762
  168   2HD   LYS  26          HD1       LYS  26  -7.759   5.832   3.342
  169   1HE   LYS  26          HE2       LYS  26  -6.842   6.598   1.294
  170   2HE   LYS  26          HE1       LYS  26  -8.344   6.784   0.679
  171   1HZ   LYS  26          HZ1       LYS  26  -7.397   8.899   1.467
  172   2HZ   LYS  26          HZ2       LYS  26  -8.800   8.546   2.140
  173   3HZ   LYS  26          HZ3       LYS  26  -7.371   8.277   2.952
  174    H    TYR  27           H        TYR  27  -5.500   0.472   1.880
  175    HA   TYR  27           HA       TYR  27  -3.209   1.077   0.069
  176   1HB   TYR  27          HB2       TYR  27  -3.317  -0.960   2.181
  177   2HB   TYR  27          HB1       TYR  27  -2.000  -0.404   1.390
  178    HD1  TYR  27           HD1      TYR  27  -0.994   1.821   1.906
  179    HD2  TYR  27           HD2      TYR  27  -4.225   0.091   4.150
  180    HE1  TYR  27           HE1      TYR  27  -0.369   3.208   3.880
  181    HE2  TYR  27           HE2      TYR  27  -3.608   1.521   6.116
  182    HH   TYR  27           HH       TYR  27  -0.865   3.771   6.103
  183    H    CYS  28           H        CYS  28  -5.139  -1.696   1.252
  184    HA   CYS  28           HA       CYS  28  -4.492  -3.132  -1.265
  185   1HB   CYS  28          HB2       CYS  28  -3.363  -3.342   1.052
  186   2HB   CYS  28          HB1       CYS  28  -4.636  -4.303   1.403
  187    H    GLY  29           H        GLY  29  -7.190  -2.040   0.400
  188   1HA   GLY  29          HA3       GLY  29  -8.900  -4.152  -0.874
  189   2HA   GLY  29          HA2       GLY  29  -9.484  -2.770   0.065
  190    H    ARG  30           H        ARG  30  -7.498  -0.997  -1.217
  191    HA   ARG  30           HA       ARG  30  -6.744   0.055  -2.975
  192   1HB   ARG  30          HB2       ARG  30  -6.393  -2.188  -3.894
  193   2HB   ARG  30          HB1       ARG  30  -7.826  -2.107  -4.673
  194   1HG   ARG  30          HG2       ARG  30  -6.425  -1.531  -6.320
  195   2HG   ARG  30          HG1       ARG  30  -6.842  -0.060  -5.745
  196   1HD   ARG  30          HD2       ARG  30  -4.349  -1.419  -5.412
  197   2HD   ARG  30          HD1       ARG  30  -4.596   0.069  -6.037
  198    HE   ARG  30           HE       ARG  30  -4.104  -0.552  -3.315
  199   1HH1  ARG  30          2HH2      ARG  30  -6.161   1.848  -4.896
  200   2HH1  ARG  30          1HH2      ARG  30  -5.612   3.068  -3.796
  201   1HH2  ARG  30          2HH1      ARG  30  -3.441   1.043  -2.106
  202   2HH2  ARG  30          1HH1      ARG  30  -4.133   2.623  -2.266
  203   1HN   NH2  31          1HN       NH2  31 -10.126  -0.871  -3.470
  204   2HN   NH2  31          2HN       NH2  31 -10.564   0.675  -4.207
  205    H1   NAG  32           H1       NAG  32  -8.790  13.085  -1.299
  206    H2   NAG  32           H2       NAG  32  -8.048  10.883  -0.169
  207    H3   NAG  32           H3       NAG  32  -7.476  12.422   2.320
  208    H4   NAG  32           H4       NAG  32  -5.350  12.063   0.191
  209    H5   NAG  32           H5       NAG  32  -6.330  14.646   1.464
  210   1H6   NAG  32          1H6       NAG  32  -4.214  14.902   0.359
  211   2H6   NAG  32          2H6       NAG  32  -5.455  15.646  -0.656
  212   1H8   NAG  32          1H8       NAG  32 -11.480  12.104   2.722
  213   2H8   NAG  32          2H8       NAG  32 -12.157  11.790   1.094
  214   3H8   NAG  32          3H8       NAG  32 -12.063  10.478   2.292
  215    HN2  NAG  32           HN2      NAG  32  -9.936  12.896   0.907
  216    HO1  NAG  32           HO1      NAG  32  -6.270  13.190  -1.738
  217    HO3  NAG  32           HO3      NAG  32  -6.232  10.644   2.595
  218    HO6  NAG  32           HO6      NAG  32  -3.921  13.352  -1.047
  219    H1   NAG  33           H1       NAG  33  -3.849  11.001   1.478
  220    H2   NAG  33           H2       NAG  33  -2.878  12.588   3.877
  221    H3   NAG  33           H3       NAG  33  -1.624  10.242   2.420
  222    H4   NAG  33           H4       NAG  33  -2.778  10.285   5.236
  223    H5   NAG  33           H5       NAG  33  -4.070   9.022   2.785
  224   1H6   NAG  33          1H6       NAG  33  -5.077   9.578   5.613
  225   2H6   NAG  33          2H6       NAG  33  -4.488   8.008   5.050
  226   1H8   NAG  33          1H8       NAG  33  -0.935  14.066  -0.842
  227   2H8   NAG  33          2H8       NAG  33  -0.799  14.952   0.697
  228   3H8   NAG  33          3H8       NAG  33   0.188  13.482   0.409
  229    HN2  NAG  33           HN2      NAG  33  -0.984  13.300   2.533
  230    HO3  NAG  33           HO3      NAG  33  -0.432  10.340   4.505
  231    HO6  NAG  33           HO6      NAG  33  -6.796   8.422   5.105
  232    H1   NAG  34           H1       NAG  34  -2.234   8.232   6.261
  233    H2   NAG  34           H2       NAG  34  -0.219   6.738   4.513
  234    H3   NAG  34           H3       NAG  34  -1.034   6.359   7.422
  235    H4   NAG  34           H4       NAG  34   1.553   7.318   6.114
  236    H5   NAG  34           H5       NAG  34  -0.461   8.811   7.817
  237   1H6   NAG  34          1H6       NAG  34   0.965  10.739   7.455
  238   2H6   NAG  34          2H6       NAG  34   2.029   9.825   6.379
  239   1H8   NAG  34          1H8       NAG  34  -3.600   4.035   2.772
  240   2H8   NAG  34          2H8       NAG  34  -3.990   4.223   4.496
  241   3H8   NAG  34          3H8       NAG  34  -4.505   5.471   3.326
  242    HN2  NAG  34           HN2      NAG  34  -2.646   5.419   5.717
  243    HO4  NAG  34           HO4      NAG  34   1.970   7.628   8.464
  244    HO3  NAG  34           HO3      NAG  34   0.987   5.180   7.217
  245    HO6  NAG  34           HO6      NAG  34   2.828  10.086   8.539
  Start of MODEL   12
    1   1H    VAL   1           H1       VAL   1   7.619   9.914   1.007
    2   2H    VAL   1           H2       VAL   1   6.857  11.033   1.975
    3   3H    VAL   1           H3       VAL   1   6.871   9.389   2.303
    4    HA   VAL   1           HA       VAL   1   9.444  10.644   1.988
    5    HB   VAL   1           HB       VAL   1   9.529  11.368   4.395
    6   1HG1  VAL   1          1HG1      VAL   1   9.430  12.920   2.488
    7   2HG1  VAL   1          2HG1      VAL   1   7.654  12.933   2.571
    8   3HG1  VAL   1          3HG1      VAL   1   8.613  13.555   3.923
    9   1HG2  VAL   1          1HG2      VAL   1   6.476  11.492   4.194
   10   2HG2  VAL   1          2HG2      VAL   1   7.352  10.269   5.148
   11   3HG2  VAL   1          3HG2      VAL   1   7.504  11.984   5.542
   12    H    GLY   2           H        GLY   2   9.057   8.191   1.388
   13   1HA   GLY   2          HA3       GLY   2  10.748   6.552   2.857
   14   2HA   GLY   2          HA2       GLY   2   9.200   6.419   3.720
   15    H    GLU   3           H        GLU   3   7.328   6.241   2.094
   16    HA   GLU   3           HA       GLU   3   6.017   4.803   1.049
   17   1HB   GLU   3          HB2       GLU   3   8.127   5.611  -0.823
   18   2HB   GLU   3          HB1       GLU   3   6.769   4.863  -1.339
   19   1HG   GLU   3          HG2       GLU   3   6.513   7.193  -1.573
   20   2HG   GLU   3          HG1       GLU   3   5.460   6.645  -0.451
   21    H    CYS   4           H        CYS   4   5.594   3.009  -0.383
   22    HA   CYS   4           HA       CYS   4   6.132   0.550   0.718
   23   1HB   CYS   4          HB2       CYS   4   5.537   1.112  -2.128
   24   2HB   CYS   4          HB1       CYS   4   5.273  -0.312  -1.372
   25    H    VAL   5           H        VAL   5   6.979  -1.468  -0.555
   26    HA   VAL   5           HA       VAL   5   9.775  -1.068  -1.435
   27    HB   VAL   5           HB       VAL   5   8.120  -3.613  -1.326
   28   1HG1  VAL   5          1HG1      VAL   5  10.352  -4.701  -1.363
   29   2HG1  VAL   5          2HG1      VAL   5  10.115  -3.749  -2.829
   30   3HG1  VAL   5          3HG1      VAL   5  11.132  -3.116  -1.518
   31   1HG2  VAL   5          1HG2      VAL   5   8.352  -2.690   0.943
   32   2HG2  VAL   5          2HG2      VAL   5   9.404  -4.095   0.741
   33   3HG2  VAL   5          3HG2      VAL   5  10.092  -2.459   0.684
   34    H    ARG   6           H        ARG   6   8.441   0.472  -2.873
   35    HA   ARG   6           HA       ARG   6   7.844   1.230  -4.896
   36   1HB   ARG   6          HB2       ARG   6   9.662  -0.847  -5.922
   37   2HB   ARG   6          HB1       ARG   6   9.335   0.606  -6.592
   38   1HG   ARG   6          HG2       ARG   6  10.843   0.173  -4.176
   39   2HG   ARG   6          HG1       ARG   6  11.458   0.683  -5.601
   40   1HD   ARG   6          HD2       ARG   6  11.356   2.681  -4.727
   41   2HD   ARG   6          HD1       ARG   6   9.760   2.606  -5.062
   42    HE   ARG   6           HE       ARG   6   9.816   1.561  -2.571
   43   1HH1  ARG   6          2HH2      ARG   6  11.174   4.586  -3.727
   44   2HH1  ARG   6          1HH2      ARG   6  11.053   5.278  -2.143
   45   1HH2  ARG   6          2HH1      ARG   6   9.673   2.487  -0.678
   46   2HH2  ARG   6          1HH1      ARG   6  10.222   4.115  -0.455
   47    H    GLY   7           H        GLY   7   6.124  -0.361  -3.808
   48   1HA   GLY   7          HA3       GLY   7   3.884  -0.725  -4.951
   49   2HA   GLY   7          HA2       GLY   7   4.729  -1.811  -6.052
   50    H    ARG   8           H        ARG   8   6.316  -2.710  -3.367
   51    HA   ARG   8           HA       ARG   8   4.168  -4.580  -2.455
   52   1HB   ARG   8          HB2       ARG   8   7.008  -4.952  -3.157
   53   2HB   ARG   8          HB1       ARG   8   6.332  -5.949  -2.054
   54   1HG   ARG   8          HG2       ARG   8   5.546  -5.683  -4.809
   55   2HG   ARG   8          HG1       ARG   8   6.215  -7.005  -4.121
   56   1HD   ARG   8          HD2       ARG   8   3.520  -6.071  -3.850
   57   2HD   ARG   8          HD1       ARG   8   4.018  -7.558  -4.309
   58    HE   ARG   8           HE       ARG   8   4.818  -7.774  -1.887
   59   1HH1  ARG   8          2HH2      ARG   8   1.782  -6.374  -2.972
   60   2HH1  ARG   8          1HH2      ARG   8   1.055  -6.533  -1.408
   61   1HH2  ARG   8          2HH1      ARG   8   3.828  -7.738   0.170
   62   2HH2  ARG   8          1HH1      ARG   8   2.165  -7.272   0.297
   63    H    CYS   9           H        CYS   9   4.979  -5.718  -0.366
   64    HA   CYS   9           HA       CYS   9   6.698  -4.413   1.421
   65   1HB   CYS   9          HB2       CYS   9   4.000  -3.533   1.433
   66   2HB   CYS   9          HB1       CYS   9   4.344  -4.262   2.853
   67    HA   PRO  10           HA       PRO  10   6.594  -8.329   3.398
   68   1HB   PRO  10          HB2       PRO  10   5.433  -7.226   5.871
   69   2HB   PRO  10          HB1       PRO  10   6.739  -8.191   5.693
   70   1HG   PRO  10          HG2       PRO  10   7.154  -5.673   6.048
   71   2HG   PRO  10          HG1       PRO  10   8.061  -6.438   4.926
   72   1HD   PRO  10          HD2       PRO  10   5.708  -4.824   4.473
   73   2HD   PRO  10          HD1       PRO  10   7.091  -4.818   3.605
   74    H    SER  11           H        SER  11   5.318  -9.887   4.913
   75    HA   SER  11           HA       SER  11   3.665 -11.451   3.907
   76   1HB   SER  11          HB2       SER  11   3.102 -10.387   6.591
   77   2HB   SER  11          HB1       SER  11   2.836 -11.908   6.059
   78    HG   SER  11           HG       SER  11   4.774 -11.835   7.183
   79    H    GLY  12           H        GLY  12   2.382 -10.707   2.281
   80   1HA   GLY  12          HA3       GLY  12   0.294 -10.421   1.325
   81   2HA   GLY  12          HA2       GLY  12  -0.375 -10.640   2.940
   82    H    MET  13           H        MET  13   1.686  -7.875   2.981
   83    HA   MET  13           HA       MET  13  -0.658  -6.160   3.216
   84   1HB   MET  13          HB2       MET  13   2.223  -5.478   3.141
   85   2HB   MET  13          HB1       MET  13   1.028  -4.435   3.533
   86   1HG   MET  13          HG2       MET  13   1.636  -6.833   5.009
   87   2HG   MET  13          HG1       MET  13   2.075  -5.332   5.480
   88   1HE   MET  13          HE1       MET  13   1.117  -6.036   7.893
   89   2HE   MET  13          HE2       MET  13  -0.573  -6.542   8.119
   90   3HE   MET  13          HE3       MET  13   0.549  -7.575   7.202
   91    H    CYS  14           H        CYS  14  -0.745  -4.000   2.048
   92    HA   CYS  14           HA       CYS  14  -0.329  -4.395  -0.887
   93   1HB   CYS  14          HB2       CYS  14  -2.610  -2.983   0.277
   94   2HB   CYS  14          HB1       CYS  14  -2.495  -3.739  -1.166
   95    H    CYS  15           H        CYS  15  -0.508  -2.172  -2.055
   96    HA   CYS  15           HA       CYS  15   0.919  -0.101  -0.429
   97   1HB   CYS  15          HB2       CYS  15   2.260  -1.237  -2.106
   98   2HB   CYS  15          HB1       CYS  15   1.238  -0.760  -3.288
   99    H    SER  16           H        SER  16   0.127   1.970  -0.468
  100    HA   SER  16           HA       SER  16  -2.600   2.279  -1.462
  101   1HB   SER  16          HB2       SER  16  -2.566   4.196  -0.070
  102   2HB   SER  16          HB1       SER  16  -1.820   3.013   0.774
  103    HG   SER  16           HG       SER  16  -0.728   4.832   1.089
  104    H    GLN  17           H        GLN  17  -3.375   4.206  -2.597
  105    HA   GLN  17           HA       GLN  17  -1.565   5.228  -4.603
  106   1HB   GLN  17          HB2       GLN  17  -4.224   6.187  -3.738
  107   2HB   GLN  17          HB1       GLN  17  -3.445   6.655  -5.095
  108   1HG   GLN  17          HG2       GLN  17  -4.792   5.086  -5.949
  109   2HG   GLN  17          HG1       GLN  17  -3.473   4.179  -5.623
  110   1HE2  GLN  17          1HE2      GLN  17  -5.616   2.657  -5.933
  111   2HE2  GLN  17          2HE2      GLN  17  -6.344   2.238  -4.388
  112   1HN   PFF  18          H         PFF  18  -1.568   5.823  -1.307
  113    HA   PFF  18           HA       PFF  18  -0.465   8.563  -1.635
  114   1HBC  PFF  18          HB2       PFF  18  -1.091   6.896   0.830
  115   2HBC  PFF  18          HB3       PFF  18  -0.394   8.519   0.848
  116    HD1  PFF  18           HD1      PFF  18  -1.844  10.246  -0.739
  117    HD2  PFF  18           HD2      PFF  18  -3.385   6.708   1.165
  118    HE1  PFF  18           HE1      PFF  18  -4.114  11.236  -0.744
  119    HE2  PFF  18           HE2      PFF  18  -5.650   7.738   1.236
  120    H    GLY  19           H        GLY  19   0.561   5.353  -1.945
  121   1HA   GLY  19          HA3       GLY  19   2.718   4.740  -2.490
  122   2HA   GLY  19          HA2       GLY  19   3.348   6.242  -1.814
  123   1HN   PFF  20          H         PFF  20   1.310   4.671   0.500
  124    HA   PFF  20           HA       PFF  20   3.730   3.556   1.878
  125   1HBC  PFF  20          HB2       PFF  20   1.115   4.641   3.024
  126   2HBC  PFF  20          HB3       PFF  20   2.412   3.889   3.911
  127    HD1  PFF  20           HD1      PFF  20   1.594   6.895   1.880
  128    HD2  PFF  20           HD2      PFF  20   4.515   4.997   4.409
  129    HE1  PFF  20           HE1      PFF  20   2.773   9.058   2.129
  130    HE2  PFF  20           HE2      PFF  20   5.718   7.159   4.629
  131    H    CYS  21           H        CYS  21   3.040   1.640   3.405
  132    HA   CYS  21           HA       CYS  21   1.115   0.003   1.814
  133   1HB   CYS  21          HB2       CYS  21   2.527  -1.780   1.992
  134   2HB   CYS  21          HB1       CYS  21   3.472  -0.528   1.538
  135    H    GLY  22           H        GLY  22  -0.186  -1.517   2.741
  136   1HA   GLY  22          HA3       GLY  22  -0.312  -2.282   5.469
  137   2HA   GLY  22          HA2       GLY  22  -1.310  -0.825   5.235
  138    H    LYS  23           H        LYS  23  -2.936  -2.693   5.874
  139    HA   LYS  23           HA       LYS  23  -3.945  -3.908   3.332
  140   1HB   LYS  23          HB2       LYS  23  -3.194  -5.499   4.995
  141   2HB   LYS  23          HB1       LYS  23  -4.260  -4.921   6.089
  142   1HG   LYS  23          HG2       LYS  23  -6.038  -5.832   5.013
  143   2HG   LYS  23          HG1       LYS  23  -5.226  -5.966   3.603
  144   1HD   LYS  23          HD2       LYS  23  -4.611  -7.583   5.906
  145   2HD   LYS  23          HD1       LYS  23  -5.615  -8.088   4.721
  146   1HE   LYS  23          HE2       LYS  23  -2.830  -7.457   4.315
  147   2HE   LYS  23          HE1       LYS  23  -3.414  -8.977   4.440
  148   1HZ   LYS  23          HZ1       LYS  23  -4.120  -7.144   2.343
  149   2HZ   LYS  23          HZ2       LYS  23  -3.025  -8.345   2.195
  150   3HZ   LYS  23          HZ3       LYS  23  -4.616  -8.715   2.448
  151    H    GLY  24           H        GLY  24  -4.625  -1.361   5.098
  152   1HA   GLY  24          HA3       GLY  24  -7.507  -1.694   5.472
  153   2HA   GLY  24          HA2       GLY  24  -6.612  -0.179   5.659
  154    HA   PRO  25           HA       PRO  25  -9.323  -0.442   1.688
  155   1HB   PRO  25          HB2       PRO  25 -10.520   1.881   3.058
  156   2HB   PRO  25          HB1       PRO  25 -11.240   0.789   2.080
  157   1HG   PRO  25          HG2       PRO  25 -11.527   0.502   4.627
  158   2HG   PRO  25          HG1       PRO  25 -11.260  -0.839   3.733
  159   1HD   PRO  25          HD2       PRO  25  -9.348   0.617   5.324
  160   2HD   PRO  25          HD1       PRO  25  -9.470  -1.003   5.158
  161    H    LYS  26           H        LYS  26  -7.703   2.261   3.386
  162    HA   LYS  26           HA       LYS  26  -7.309   3.785   0.934
  163   1HB   LYS  26          HB2       LYS  26  -6.338   4.069   3.688
  164   2HB   LYS  26          HB1       LYS  26  -5.785   5.030   2.488
  165   1HG   LYS  26          HG2       LYS  26  -8.058   5.724   2.059
  166   2HG   LYS  26          HG1       LYS  26  -8.535   4.850   3.354
  167   1HD   LYS  26          HD2       LYS  26  -7.448   6.246   4.826
  168   2HD   LYS  26          HD1       LYS  26  -6.549   6.917   3.639
  169   1HE   LYS  26          HE2       LYS  26  -8.530   7.948   2.756
  170   2HE   LYS  26          HE1       LYS  26  -9.388   7.323   3.998
  171   1HZ   LYS  26          HZ1       LYS  26  -7.166   9.086   4.411
  172   2HZ   LYS  26          HZ2       LYS  26  -8.683   9.663   4.271
  173   3HZ   LYS  26          HZ3       LYS  26  -8.287   8.660   5.529
  174    H    TYR  27           H        TYR  27  -5.755   0.991   2.091
  175    HA   TYR  27           HA       TYR  27  -3.313   1.641   0.490
  176   1HB   TYR  27          HB2       TYR  27  -3.677  -0.408   2.572
  177   2HB   TYR  27          HB1       TYR  27  -2.316  -0.181   1.699
  178    HD1  TYR  27           HD1      TYR  27  -4.494   1.553   4.125
  179    HD2  TYR  27           HD2      TYR  27  -0.645   1.387   2.290
  180    HE1  TYR  27           HE1      TYR  27  -3.486   2.765   6.089
  181    HE2  TYR  27           HE2      TYR  27   0.324   2.681   4.215
  182    HH   TYR  27           HH       TYR  27  -0.210   3.924   6.112
  183    H    CYS  28           H        CYS  28  -5.654  -1.011   1.166
  184    HA   CYS  28           HA       CYS  28  -4.281  -2.553  -0.858
  185   1HB   CYS  28          HB2       CYS  28  -5.205  -3.288   1.374
  186   2HB   CYS  28          HB1       CYS  28  -6.639  -3.448   0.608
  187    H    GLY  29           H        GLY  29  -4.831  -0.861  -2.376
  188   1HA   GLY  29          HA3       GLY  29  -5.706  -0.448  -4.521
  189   2HA   GLY  29          HA2       GLY  29  -6.719  -1.900  -4.378
  190    H    ARG  30           H        ARG  30  -8.465  -1.724  -2.787
  191    HA   ARG  30           HA       ARG  30  -9.092   0.773  -1.652
  192   1HB   ARG  30          HB2       ARG  30 -10.238   0.870  -3.924
  193   2HB   ARG  30          HB1       ARG  30 -11.383  -0.084  -3.256
  194   1HG   ARG  30          HG2       ARG  30 -12.237   1.995  -2.985
  195   2HG   ARG  30          HG1       ARG  30 -11.583   1.676  -1.522
  196   1HD   ARG  30          HD2       ARG  30 -10.256   3.267  -3.525
  197   2HD   ARG  30          HD1       ARG  30 -11.123   3.913  -2.300
  198    HE   ARG  30           HE       ARG  30  -9.386   2.547  -0.867
  199   1HH1  ARG  30          2HH2      ARG  30  -8.695   4.786  -3.503
  200   2HH1  ARG  30          1HH2      ARG  30  -6.990   4.663  -3.224
  201   1HH2  ARG  30          2HH1      ARG  30  -7.217   2.359  -0.708
  202   2HH2  ARG  30          1HH1      ARG  30  -6.183   3.336  -1.696
  203   1HN   NH2  31          1HN       NH2  31  -8.952  -2.444  -1.223
  204   2HN   NH2  31          2HN       NH2  31 -10.196  -2.576   0.004
  205    H1   NAG  32           H1       NAG  32  -7.520  15.799   2.867
  206    H2   NAG  32           H2       NAG  32  -7.839  13.141   1.449
  207    H3   NAG  32           H3       NAG  32  -6.210  13.632   3.972
  208    H4   NAG  32           H4       NAG  32  -5.125  13.142   1.161
  209    H5   NAG  32           H5       NAG  32  -5.225  15.762   2.697
  210   1H6   NAG  32          1H6       NAG  32  -4.298  16.666   0.531
  211   2H6   NAG  32          2H6       NAG  32  -4.003  14.997   0.013
  212   1H8   NAG  32          1H8       NAG  32 -10.407  13.279   5.459
  213   2H8   NAG  32          2H8       NAG  32 -11.370  13.088   3.963
  214   3H8   NAG  32          3H8       NAG  32 -10.969  11.669   4.954
  215    HN2  NAG  32           HN2      NAG  32  -9.384  14.355   3.462
  216    HO1  NAG  32           HO1      NAG  32  -8.328  16.005   0.509
  217    HO3  NAG  32           HO3      NAG  32  -7.281  11.577   3.128
  218    HO6  NAG  32           HO6      NAG  32  -2.785  14.850   2.077
  219    H1   NAG  33           H1       NAG  33  -3.382  11.788   1.734
  220    H2   NAG  33           H2       NAG  33  -1.655  12.840   4.013
  221    H3   NAG  33           H3       NAG  33  -1.094  10.549   2.091
  222    H4   NAG  33           H4       NAG  33  -1.713  10.554   5.088
  223    H5   NAG  33           H5       NAG  33  -3.402   9.725   2.697
  224   1H6   NAG  33          1H6       NAG  33  -4.064   9.747   5.669
  225   2H6   NAG  33          2H6       NAG  33  -3.974   8.308   4.620
  226   1H8   NAG  33          1H8       NAG  33   0.910  13.994   0.327
  227   2H8   NAG  33          2H8       NAG  33  -0.259  14.123  -1.011
  228   3H8   NAG  33          3H8       NAG  33  -0.357  15.270   0.347
  229    HN2  NAG  33           HN2      NAG  33  -0.267  13.921   2.460
  230    HO3  NAG  33           HO3      NAG  33   0.492  10.321   3.946
  231    HO6  NAG  33           HO6      NAG  33  -5.512  10.528   3.872
  232    H1   NAG  34           H1       NAG  34  -1.247   8.469   6.023
  233    H2   NAG  34           H2       NAG  34   0.368   6.760   4.082
  234    H3   NAG  34           H3       NAG  34  -0.077   6.519   7.086
  235    H4   NAG  34           H4       NAG  34   2.391   7.241   5.445
  236    H5   NAG  34           H5       NAG  34   0.712   8.922   7.332
  237   1H6   NAG  34          1H6       NAG  34   2.233  10.729   6.756
  238   2H6   NAG  34          2H6       NAG  34   3.117   9.695   5.625
  239   1H8   NAG  34          1H8       NAG  34  -3.926   6.045   3.380
  240   2H8   NAG  34          2H8       NAG  34  -3.478   4.385   2.881
  241   3H8   NAG  34          3H8       NAG  34  -3.693   4.778   4.613
  242    HN2  NAG  34           HN2      NAG  34  -2.162   6.031   5.587
  243    HO4  NAG  34           HO4      NAG  34   3.102   7.567   7.736
  244    HO3  NAG  34           HO3      NAG  34   1.840   5.232   6.686
  245    HO6  NAG  34           HO6      NAG  34   4.110   9.972   7.719
  Start of MODEL   13
    1   1H    VAL   1           H1       VAL   1   7.617   8.052   7.625
    2   2H    VAL   1           H2       VAL   1   6.005   7.636   7.753
    3   3H    VAL   1           H3       VAL   1   6.827   7.428   6.328
    4    HA   VAL   1           HA       VAL   1   8.059   5.689   7.050
    5    HB   VAL   1           HB       VAL   1   7.896   4.848   9.395
    6   1HG1  VAL   1          1HG1      VAL   1   9.580   6.364  10.244
    7   2HG1  VAL   1          2HG1      VAL   1   9.829   6.128   8.508
    8   3HG1  VAL   1          3HG1      VAL   1   9.103   7.637   9.111
    9   1HG2  VAL   1          1HG2      VAL   1   5.870   6.088  10.169
   10   2HG2  VAL   1          2HG2      VAL   1   7.278   6.383  11.190
   11   3HG2  VAL   1          3HG2      VAL   1   6.764   7.621  10.039
   12    H    GLY   2           H        GLY   2   7.220   3.892   6.462
   13   1HA   GLY   2          HA3       GLY   2   5.450   2.042   6.961
   14   2HA   GLY   2          HA2       GLY   2   4.273   3.349   6.834
   15    H    GLU   3           H        GLU   3   7.093   3.354   4.707
   16    HA   GLU   3           HA       GLU   3   5.401   3.624   2.429
   17   1HB   GLU   3          HB2       GLU   3   8.336   3.529   2.778
   18   2HB   GLU   3          HB1       GLU   3   7.582   3.985   1.403
   19   1HG   GLU   3          HG2       GLU   3   8.208   5.930   2.442
   20   2HG   GLU   3          HG1       GLU   3   6.593   5.812   2.654
   21    H    CYS   4           H        CYS   4   5.861   2.500   0.352
   22    HA   CYS   4           HA       CYS   4   6.555  -0.396   0.736
   23   1HB   CYS   4          HB2       CYS   4   4.936   0.916  -1.343
   24   2HB   CYS   4          HB1       CYS   4   5.347  -0.665  -1.352
   25    H    VAL   5           H        VAL   5   7.618  -1.453  -0.907
   26    HA   VAL   5           HA       VAL   5   9.990  -0.071  -1.958
   27    HB   VAL   5           HB       VAL   5   9.155  -3.000  -2.167
   28   1HG1  VAL   5          1HG1      VAL   5  11.838  -1.590  -2.602
   29   2HG1  VAL   5          2HG1      VAL   5  11.584  -3.347  -2.606
   30   3HG1  VAL   5          3HG1      VAL   5  10.853  -2.356  -3.869
   31   1HG2  VAL   5          1HG2      VAL   5  10.823  -3.340  -0.356
   32   2HG2  VAL   5          2HG2      VAL   5  10.995  -1.580  -0.197
   33   3HG2  VAL   5          3HG2      VAL   5   9.451  -2.370   0.186
   34    H    ARG   6           H        ARG   6   8.513   1.292  -3.184
   35    HA   ARG   6           HA       ARG   6   7.585   2.043  -5.120
   36   1HB   ARG   6          HB2       ARG   6   8.716   1.303  -7.189
   37   2HB   ARG   6          HB1       ARG   6   9.676   1.969  -6.048
   38   1HG   ARG   6          HG2       ARG   6  10.913   0.300  -6.938
   39   2HG   ARG   6          HG1       ARG   6  10.396  -0.290  -5.505
   40   1HD   ARG   6          HD2       ARG   6  10.010  -2.074  -6.762
   41   2HD   ARG   6          HD1       ARG   6   8.578  -1.317  -6.974
   42    HE   ARG   6           HE       ARG   6  10.736  -1.452  -8.884
   43   1HH1  ARG   6          2HH2      ARG   6   7.366  -0.528  -8.393
   44   2HH1  ARG   6          1HH2      ARG   6   7.084  -0.404 -10.097
   45   1HH2  ARG   6          2HH1      ARG   6  10.265  -1.275 -11.039
   46   2HH2  ARG   6          1HH1      ARG   6   8.677  -0.814 -11.552
   47    H    GLY   7           H        GLY   7   6.210   0.214  -3.853
   48   1HA   GLY   7          HA3       GLY   7   3.865  -0.055  -4.801
   49   2HA   GLY   7          HA2       GLY   7   4.574  -1.059  -6.056
   50    H    ARG   8           H        ARG   8   6.299  -2.311  -3.533
   51    HA   ARG   8           HA       ARG   8   3.957  -3.829  -2.457
   52   1HB   ARG   8          HB2       ARG   8   6.333  -4.837  -3.754
   53   2HB   ARG   8          HB1       ARG   8   5.988  -5.574  -2.338
   54   1HG   ARG   8          HG2       ARG   8   4.319  -5.483  -4.668
   55   2HG   ARG   8          HG1       ARG   8   5.010  -6.814  -4.021
   56   1HD   ARG   8          HD2       ARG   8   2.744  -5.391  -2.986
   57   2HD   ARG   8          HD1       ARG   8   2.757  -6.921  -3.556
   58    HE   ARG   8           HE       ARG   8   4.400  -6.807  -1.258
   59   1HH1  ARG   8          2HH2      ARG   8   1.002  -6.851  -2.176
   60   2HH1  ARG   8          1HH2      ARG   8   0.530  -7.521  -0.650
   61   1HH2  ARG   8          2HH1      ARG   8   3.704  -7.596   0.664
   62   2HH2  ARG   8          1HH1      ARG   8   2.025  -7.933   0.920
   63    H    CYS   9           H        CYS   9   4.135  -4.744  -0.494
   64    HA   CYS   9           HA       CYS   9   6.231  -3.724   1.377
   65   1HB   CYS   9          HB2       CYS   9   3.843  -2.926   1.543
   66   2HB   CYS   9          HB1       CYS   9   3.426  -4.448   1.963
   67    HA   PRO  10           HA       PRO  10   6.557  -8.230   2.133
   68   1HB   PRO  10          HB2       PRO  10   6.593  -7.715   5.014
   69   2HB   PRO  10          HB1       PRO  10   7.666  -8.549   4.107
   70   1HG   PRO  10          HG2       PRO  10   8.319  -6.176   4.936
   71   2HG   PRO  10          HG1       PRO  10   8.758  -6.624   3.427
   72   1HD   PRO  10          HD2       PRO  10   6.461  -5.027   4.175
   73   2HD   PRO  10          HD1       PRO  10   7.505  -4.734   2.954
   74    H    SER  11           H        SER  11   5.413  -9.977   3.497
   75    HA   SER  11           HA       SER  11   3.531 -11.065   4.217
   76   1HB   SER  11          HB2       SER  11   4.221  -9.586   6.064
   77   2HB   SER  11          HB1       SER  11   3.023  -8.552   5.659
   78    HG   SER  11           HG       SER  11   2.491 -10.115   7.298
   79    H    GLY  12           H        GLY  12   1.157 -10.527   5.011
   80   1HA   GLY  12          HA3       GLY  12  -0.474 -10.335   2.590
   81   2HA   GLY  12          HA2       GLY  12  -1.058 -10.586   4.237
   82    H    MET  13           H        MET  13   0.831  -7.874   2.872
   83    HA   MET  13           HA       MET  13  -1.293  -5.946   3.747
   84   1HB   MET  13          HB2       MET  13   1.583  -5.512   3.176
   85   2HB   MET  13          HB1       MET  13   0.532  -4.364   3.672
   86   1HG   MET  13          HG2       MET  13   1.224  -6.650   5.267
   87   2HG   MET  13          HG1       MET  13   1.954  -5.198   5.429
   88   1HE   MET  13          HE1       MET  13   0.879  -6.695   7.905
   89   2HE   MET  13          HE2       MET  13   1.611  -5.074   7.998
   90   3HE   MET  13          HE3       MET  13   0.037  -5.385   8.766
   91    H    CYS  14           H        CYS  14  -1.348  -3.927   2.310
   92    HA   CYS  14           HA       CYS  14  -0.778  -4.478  -0.558
   93   1HB   CYS  14          HB2       CYS  14  -3.143  -3.004   0.376
   94   2HB   CYS  14          HB1       CYS  14  -2.853  -3.622  -1.108
   95    H    CYS  15           H        CYS  15  -0.771  -2.264  -1.777
   96    HA   CYS  15           HA       CYS  15   0.470  -0.192  -0.041
   97   1HB   CYS  15          HB2       CYS  15   1.242  -1.300  -2.657
   98   2HB   CYS  15          HB1       CYS  15   1.850   0.107  -2.095
   99    H    SER  16           H        SER  16   0.124   1.968  -0.542
  100    HA   SER  16           HA       SER  16  -2.249   2.533  -2.223
  101   1HB   SER  16          HB2       SER  16  -2.315   4.521  -0.990
  102   2HB   SER  16          HB1       SER  16  -1.996   3.343   0.095
  103    HG   SER  16           HG       SER  16  -0.752   5.087   0.529
  104    H    GLN  17           H        GLN  17  -2.284   4.294  -3.801
  105    HA   GLN  17           HA       GLN  17   0.066   4.826  -5.288
  106   1HB   GLN  17          HB2       GLN  17  -2.569   6.128  -5.061
  107   2HB   GLN  17          HB1       GLN  17  -1.407   6.805  -5.989
  108   1HG   GLN  17          HG2       GLN  17  -2.774   5.508  -7.363
  109   2HG   GLN  17          HG1       GLN  17  -1.309   4.792  -7.279
  110   1HE2  GLN  17          1HE2      GLN  17  -2.234   2.741  -7.995
  111   2HE2  GLN  17          2HE2      GLN  17  -3.126   1.810  -6.805
  112   1HN   PFF  18          H         PFF  18  -0.806   6.076  -2.194
  113    HA   PFF  18           HA       PFF  18   0.908   8.460  -2.453
  114   1HBC  PFF  18          HB2       PFF  18  -0.297   7.247   0.052
  115   2HBC  PFF  18          HB3       PFF  18   0.316   8.885  -0.168
  116    HD1  PFF  18           HD1      PFF  18  -0.857  10.336  -2.010
  117    HD2  PFF  18           HD2      PFF  18  -2.589   6.754  -0.357
  118    HE1  PFF  18           HE1      PFF  18  -3.039  10.912  -3.034
  119    HE2  PFF  18           HE2      PFF  18  -4.780   7.353  -1.353
  120    H    GLY  19           H        GLY  19   1.480   5.150  -2.241
  121   1HA   GLY  19          HA3       GLY  19   3.617   4.250  -2.272
  122   2HA   GLY  19          HA2       GLY  19   4.266   5.675  -1.457
  123   1HN   PFF  20          H         PFF  20   1.440   4.428   0.195
  124    HA   PFF  20           HA       PFF  20   3.329   3.422   2.279
  125   1HBC  PFF  20          HB2       PFF  20   0.634   4.788   2.424
  126   2HBC  PFF  20          HB3       PFF  20   1.420   3.999   3.784
  127    HD1  PFF  20           HD1      PFF  20   1.646   6.896   1.497
  128    HD2  PFF  20           HD2      PFF  20   3.339   4.892   4.912
  129    HE1  PFF  20           HE1      PFF  20   3.065   8.878   1.961
  130    HE2  PFF  20           HE2      PFF  20   4.760   6.865   5.366
  131    H    CYS  21           H        CYS  21   2.594   1.807   3.725
  132    HA   CYS  21           HA       CYS  21   1.268  -0.415   2.268
  133   1HB   CYS  21          HB2       CYS  21   3.506  -0.737   2.901
  134   2HB   CYS  21          HB1       CYS  21   3.256  -0.237   4.435
  135    H    GLY  22           H        GLY  22  -0.433  -1.554   3.078
  136   1HA   GLY  22          HA3       GLY  22  -0.632  -2.189   5.806
  137   2HA   GLY  22          HA2       GLY  22  -1.821  -0.908   5.520
  138    H    LYS  23           H        LYS  23  -2.637  -3.431   6.344
  139    HA   LYS  23           HA       LYS  23  -3.952  -4.590   3.911
  140   1HB   LYS  23          HB2       LYS  23  -2.819  -6.081   5.536
  141   2HB   LYS  23          HB1       LYS  23  -3.959  -5.703   6.644
  142   1HG   LYS  23          HG2       LYS  23  -5.604  -6.431   4.908
  143   2HG   LYS  23          HG1       LYS  23  -4.329  -7.150   4.185
  144   1HD   LYS  23          HD2       LYS  23  -5.500  -8.708   5.536
  145   2HD   LYS  23          HD1       LYS  23  -3.980  -8.496   6.095
  146   1HE   LYS  23          HE2       LYS  23  -5.675  -8.554   7.836
  147   2HE   LYS  23          HE1       LYS  23  -4.728  -7.224   7.877
  148   1HZ   LYS  23          HZ1       LYS  23  -6.410  -5.949   6.856
  149   2HZ   LYS  23          HZ2       LYS  23  -7.354  -7.287   6.719
  150   3HZ   LYS  23          HZ3       LYS  23  -7.010  -6.664   8.203
  151    H    GLY  24           H        GLY  24  -4.975  -2.280   4.078
  152   1HA   GLY  24          HA3       GLY  24  -7.661  -2.685   5.203
  153   2HA   GLY  24          HA2       GLY  24  -6.775  -1.283   5.832
  154    HA   PRO  25           HA       PRO  25  -9.535  -0.893   1.928
  155   1HB   PRO  25          HB2       PRO  25 -10.283   1.524   3.461
  156   2HB   PRO  25          HB1       PRO  25 -11.204   0.641   2.442
  157   1HG   PRO  25          HG2       PRO  25 -11.406   0.154   4.970
  158   2HG   PRO  25          HG1       PRO  25 -11.376  -1.121   3.950
  159   1HD   PRO  25          HD2       PRO  25  -9.234  -0.138   5.591
  160   2HD   PRO  25          HD1       PRO  25  -9.552  -1.690   5.195
  161    H    LYS  26           H        LYS  26  -8.036   2.119   3.351
  162    HA   LYS  26           HA       LYS  26  -7.627   3.168   0.731
  163   1HB   LYS  26          HB2       LYS  26  -6.470   4.060   3.289
  164   2HB   LYS  26          HB1       LYS  26  -6.555   4.941   1.916
  165   1HG   LYS  26          HG2       LYS  26  -9.035   4.536   2.099
  166   2HG   LYS  26          HG1       LYS  26  -8.706   4.206   3.665
  167   1HD   LYS  26          HD2       LYS  26  -8.994   6.357   3.995
  168   2HD   LYS  26          HD1       LYS  26  -7.499   6.521   3.357
  169   1HE   LYS  26          HE2       LYS  26  -9.937   6.710   1.828
  170   2HE   LYS  26          HE1       LYS  26  -9.063   8.000   2.317
  171   1HZ   LYS  26          HZ1       LYS  26  -8.569   7.642   0.121
  172   2HZ   LYS  26          HZ2       LYS  26  -7.245   7.230   0.988
  173   3HZ   LYS  26          HZ3       LYS  26  -8.256   6.044   0.364
  174    H    TYR  27           H        TYR  27  -5.756   0.836   2.362
  175    HA   TYR  27           HA       TYR  27  -3.280   1.520   0.833
  176   1HB   TYR  27          HB2       TYR  27  -3.892  -0.628   2.775
  177   2HB   TYR  27          HB1       TYR  27  -2.435  -0.378   2.081
  178    HD1  TYR  27           HD1      TYR  27  -1.194   1.789   2.464
  179    HD2  TYR  27           HD2      TYR  27  -4.614   0.542   4.756
  180    HE1  TYR  27           HE1      TYR  27  -0.646   3.481   4.221
  181    HE2  TYR  27           HE2      TYR  27  -4.150   2.373   6.406
  182    HH   TYR  27           HH       TYR  27  -1.307   4.471   6.132
  183    H    CYS  28           H        CYS  28  -5.825  -0.923   1.144
  184    HA   CYS  28           HA       CYS  28  -4.712  -2.410  -1.122
  185   1HB   CYS  28          HB2       CYS  28  -5.601  -3.199   1.159
  186   2HB   CYS  28          HB1       CYS  28  -7.050  -3.223   0.406
  187    H    GLY  29           H        GLY  29  -7.929  -0.933  -0.376
  188   1HA   GLY  29          HA3       GLY  29  -8.706  -1.282  -3.246
  189   2HA   GLY  29          HA2       GLY  29  -9.794  -0.968  -1.900
  190    H    ARG  30           H        ARG  30  -7.497   1.090  -1.135
  191    HA   ARG  30           HA       ARG  30  -6.861   3.270  -1.472
  192   1HB   ARG  30          HB2       ARG  30  -8.203   3.110  -4.094
  193   2HB   ARG  30          HB1       ARG  30  -7.423   4.434  -3.542
  194   1HG   ARG  30          HG2       ARG  30  -5.786   3.596  -4.744
  195   2HG   ARG  30          HG1       ARG  30  -5.490   2.782  -3.359
  196   1HD   ARG  30          HD2       ARG  30  -7.225   1.370  -5.001
  197   2HD   ARG  30          HD1       ARG  30  -5.813   1.680  -5.761
  198    HE   ARG  30           HE       ARG  30  -6.209  -0.366  -3.933
  199   1HH1  ARG  30          2HH2      ARG  30  -3.703   2.067  -4.525
  200   2HH1  ARG  30          1HH2      ARG  30  -2.487   1.022  -3.870
  201   1HH2  ARG  30          2HH1      ARG  30  -4.564  -1.543  -3.103
  202   2HH2  ARG  30          1HH1      ARG  30  -2.950  -0.915  -3.106
  203   1HN   NH2  31          1HN       NH2  31 -10.231   2.741  -2.603
  204   2HN   NH2  31          2HN       NH2  31 -10.915   4.005  -1.575
  205    H1   NAG  32           H1       NAG  32  -8.854  13.786  -1.239
  206    H2   NAG  32           H2       NAG  32  -7.942  10.892  -1.474
  207    H3   NAG  32           H3       NAG  32  -7.613  12.855   0.831
  208    H4   NAG  32           H4       NAG  32  -5.605  11.557  -1.067
  209    H5   NAG  32           H5       NAG  32  -6.543  14.437  -0.733
  210   1H6   NAG  32          1H6       NAG  32  -4.139  14.326  -1.363
  211   2H6   NAG  32          2H6       NAG  32  -5.144  14.904  -2.701
  212   1H8   NAG  32          1H8       NAG  32 -11.466  10.455   1.463
  213   2H8   NAG  32          2H8       NAG  32 -12.133  10.491  -0.198
  214   3H8   NAG  32          3H8       NAG  32 -11.679   8.941   0.545
  215    HN2  NAG  32           HN2      NAG  32 -10.293  12.092  -0.069
  216    HO1  NAG  32           HO1      NAG  32  -8.780  13.097  -3.596
  217    HO3  NAG  32           HO3      NAG  32  -6.381  11.169   1.628
  218    HO6  NAG  32           HO6      NAG  32  -5.149  12.747  -3.487
  219    H1   NAG  33           H1       NAG  33  -3.625  11.245  -0.080
  220    H2   NAG  33           H2       NAG  33  -3.157  12.703   2.537
  221    H3   NAG  33           H3       NAG  33  -1.497  10.544   1.171
  222    H4   NAG  33           H4       NAG  33  -3.142  10.311   3.738
  223    H5   NAG  33           H5       NAG  33  -3.603   9.199   0.941
  224   1H6   NAG  33          1H6       NAG  33  -5.376   9.000   3.408
  225   2H6   NAG  33          2H6       NAG  33  -4.488   7.655   2.667
  226   1H8   NAG  33          1H8       NAG  33  -1.334  14.992  -1.017
  227   2H8   NAG  33          2H8       NAG  33  -1.432  16.326   0.160
  228   3H8   NAG  33          3H8       NAG  33  -0.170  15.082   0.347
  229    HN2  NAG  33           HN2      NAG  33  -1.199  12.833   0.288
  230    HO3  NAG  33           HO3      NAG  33  -0.541  10.658   3.328
  231    HO6  NAG  33           HO6      NAG  33  -6.398   9.278   1.310
  232    H1   NAG  34           H1       NAG  34  -2.271   8.581   4.994
  233    H2   NAG  34           H2       NAG  34  -0.206   6.857   3.557
  234    H3   NAG  34           H3       NAG  34  -1.190   6.974   6.445
  235    H4   NAG  34           H4       NAG  34   1.485   7.585   5.106
  236    H5   NAG  34           H5       NAG  34  -0.513   9.380   6.530
  237   1H6   NAG  34          1H6       NAG  34   0.995  11.188   5.896
  238   2H6   NAG  34          2H6       NAG  34   2.056  10.065   5.029
  239   1H8   NAG  34          1H8       NAG  34  -4.444   5.333   3.366
  240   2H8   NAG  34          2H8       NAG  34  -4.058   5.007   1.652
  241   3H8   NAG  34          3H8       NAG  34  -3.591   3.832   2.903
  242    HN2  NAG  34           HN2      NAG  34  -2.669   5.677   4.790
  243    HO4  NAG  34           HO4      NAG  34   1.848   8.237   7.406
  244    HO3  NAG  34           HO3      NAG  34   0.812   5.716   6.547
  245    HO6  NAG  34           HO6      NAG  34   2.725  10.704   7.191
  Start of MODEL   14
    1   1H    VAL   1           H1       VAL   1   9.145   9.896   0.553
    2   2H    VAL   1           H2       VAL   1   8.236   8.936   1.569
    3   3H    VAL   1           H3       VAL   1   9.152   8.252   0.381
    4    HA   VAL   1           HA       VAL   1  11.145   8.755   1.365
    5    HB   VAL   1           HB       VAL   1  10.588  10.946   2.248
    6   1HG1  VAL   1          1HG1      VAL   1   8.322  10.530   3.191
    7   2HG1  VAL   1          2HG1      VAL   1   9.053   9.555   4.486
    8   3HG1  VAL   1          3HG1      VAL   1   9.417  11.278   4.356
    9   1HG2  VAL   1          1HG2      VAL   1  12.547   9.701   3.131
   10   2HG2  VAL   1          2HG2      VAL   1  11.865  10.838   4.304
   11   3HG2  VAL   1          3HG2      VAL   1  11.548   9.106   4.479
   12    H    GLY   2           H        GLY   2  11.892   6.921   2.226
   13   1HA   GLY   2          HA3       GLY   2  11.938   4.911   3.403
   14   2HA   GLY   2          HA2       GLY   2  10.425   5.336   4.226
   15    H    GLU   3           H        GLU   3   8.610   5.570   2.751
   16    HA   GLU   3           HA       GLU   3   6.883   4.348   1.855
   17   1HB   GLU   3          HB2       GLU   3   6.793   4.902  -0.381
   18   2HB   GLU   3          HB1       GLU   3   7.604   6.089   0.393
   19   1HG   GLU   3          HG2       GLU   3   8.916   4.167  -1.269
   20   2HG   GLU   3          HG1       GLU   3   8.384   5.604  -1.833
   21    H    CYS   4           H        CYS   4   5.987   2.860   0.252
   22    HA   CYS   4           HA       CYS   4   6.243   0.263   0.812
   23   1HB   CYS   4          HB2       CYS   4   5.706   1.403  -1.864
   24   2HB   CYS   4          HB1       CYS   4   5.342  -0.131  -1.439
   25    H    VAL   5           H        VAL   5   6.818  -1.649  -0.716
   26    HA   VAL   5           HA       VAL   5   9.646  -1.528  -1.593
   27    HB   VAL   5           HB       VAL   5   7.649  -3.812  -1.720
   28   1HG1  VAL   5          1HG1      VAL   5   9.519  -4.070  -3.368
   29   2HG1  VAL   5          2HG1      VAL   5  10.688  -3.721  -2.079
   30   3HG1  VAL   5          3HG1      VAL   5   9.700  -5.192  -2.021
   31   1HG2  VAL   5          1HG2      VAL   5   9.909  -3.243   0.239
   32   2HG2  VAL   5          2HG2      VAL   5   8.180  -3.170   0.620
   33   3HG2  VAL   5          3HG2      VAL   5   8.921  -4.716   0.187
   34    H    ARG   6           H        ARG   6   8.614   0.366  -2.802
   35    HA   ARG   6           HA       ARG   6   8.017   1.479  -4.645
   36   1HB   ARG   6          HB2       ARG   6   9.780  -0.605  -5.719
   37   2HB   ARG   6          HB1       ARG   6   9.227   0.621  -6.646
   38   1HG   ARG   6          HG2       ARG   6  11.241   1.384  -5.937
   39   2HG   ARG   6          HG1       ARG   6  10.183   2.128  -4.940
   40   1HD   ARG   6          HD2       ARG   6  11.352  -0.256  -3.966
   41   2HD   ARG   6          HD1       ARG   6  12.335   1.044  -4.066
   42    HE   ARG   6           HE       ARG   6  10.318   0.623  -2.080
   43   1HH1  ARG   6          2HH2      ARG   6  12.185   3.254  -3.485
   44   2HH1  ARG   6          1HH2      ARG   6  12.043   4.149  -2.008
   45   1HH2  ARG   6          2HH1      ARG   6  10.204   1.808  -0.345
   46   2HH2  ARG   6          1HH1      ARG   6  10.966   3.363  -0.302
   47    H    GLY   7           H        GLY   7   6.129   0.088  -3.690
   48   1HA   GLY   7          HA3       GLY   7   3.834   0.160  -4.548
   49   2HA   GLY   7          HA2       GLY   7   4.364  -0.619  -6.018
   50    H    ARG   8           H        ARG   8   5.948  -2.382  -3.619
   51    HA   ARG   8           HA       ARG   8   3.597  -4.165  -3.037
   52   1HB   ARG   8          HB2       ARG   8   6.439  -4.710  -3.598
   53   2HB   ARG   8          HB1       ARG   8   5.629  -5.698  -2.580
   54   1HG   ARG   8          HG2       ARG   8   5.143  -6.846  -4.370
   55   2HG   ARG   8          HG1       ARG   8   4.030  -5.685  -4.651
   56   1HD   ARG   8          HD2       ARG   8   6.671  -5.381  -5.706
   57   2HD   ARG   8          HD1       ARG   8   5.587  -6.303  -6.508
   58    HE   ARG   8           HE       ARG   8   4.165  -4.356  -6.764
   59   1HH1  ARG   8          2HH2      ARG   8   7.491  -3.631  -5.845
   60   2HH1  ARG   8          1HH2      ARG   8   7.502  -2.171  -6.776
   61   1HH2  ARG   8          2HH1      ARG   8   4.325  -2.454  -7.959
   62   2HH2  ARG   8          1HH1      ARG   8   5.792  -1.534  -7.917
   63    H    CYS   9           H        CYS   9   4.100  -5.361  -0.820
   64    HA   CYS   9           HA       CYS   9   6.080  -4.085   0.822
   65   1HB   CYS   9          HB2       CYS   9   3.288  -3.514   1.222
   66   2HB   CYS   9          HB1       CYS   9   4.021  -4.096   2.560
   67    HA   PRO  10           HA       PRO  10   6.136  -8.276   2.234
   68   1HB   PRO  10          HB2       PRO  10   6.922  -8.099   4.774
   69   2HB   PRO  10          HB1       PRO  10   7.941  -7.693   3.564
   70   1HG   PRO  10          HG2       PRO  10   6.374  -5.888   5.204
   71   2HG   PRO  10          HG1       PRO  10   7.942  -5.720   4.780
   72   1HD   PRO  10          HD2       PRO  10   6.063  -4.464   3.450
   73   2HD   PRO  10          HD1       PRO  10   7.421  -4.965   2.694
   74    H    SER  11           H        SER  11   5.241  -9.831   3.893
   75    HA   SER  11           HA       SER  11   3.313 -10.865   4.629
   76   1HB   SER  11          HB2       SER  11   3.902  -9.427   6.516
   77   2HB   SER  11          HB1       SER  11   2.831  -8.309   5.996
   78    HG   SER  11           HG       SER  11   2.054  -9.837   7.590
   79    H    GLY  12           H        GLY  12   0.865 -10.121   5.180
   80   1HA   GLY  12          HA3       GLY  12  -0.449 -10.062   2.591
   81   2HA   GLY  12          HA2       GLY  12  -1.260  -9.975   4.155
   82    H    MET  13           H        MET  13   1.123  -7.517   3.052
   83    HA   MET  13           HA       MET  13  -0.982  -5.476   3.572
   84   1HB   MET  13          HB2       MET  13   1.922  -5.123   3.141
   85   2HB   MET  13          HB1       MET  13   0.872  -3.991   3.675
   86   1HG   MET  13          HG2       MET  13   1.614  -6.356   5.133
   87   2HG   MET  13          HG1       MET  13   2.164  -4.853   5.460
   88   1HE   MET  13          HE1       MET  13   1.688  -5.130   8.016
   89   2HE   MET  13          HE2       MET  13   0.105  -5.656   8.634
   90   3HE   MET  13          HE3       MET  13   1.099  -6.775   7.671
   91    H    CYS  14           H        CYS  14  -1.073  -3.606   2.139
   92    HA   CYS  14           HA       CYS  14  -0.354  -4.147  -0.706
   93   1HB   CYS  14          HB2       CYS  14  -2.955  -3.015   0.066
   94   2HB   CYS  14          HB1       CYS  14  -2.530  -3.727  -1.341
   95    H    CYS  15           H        CYS  15  -0.189  -2.090  -1.947
   96    HA   CYS  15           HA       CYS  15   0.756   0.119  -0.177
   97   1HB   CYS  15          HB2       CYS  15   2.306  -0.969  -1.699
   98   2HB   CYS  15          HB1       CYS  15   1.398  -0.530  -2.984
   99    H    SER  16           H        SER  16   0.394   2.368  -0.896
  100    HA   SER  16           HA       SER  16  -2.031   2.706  -2.631
  101   1HB   SER  16          HB2       SER  16  -2.639   4.461  -1.286
  102   2HB   SER  16          HB1       SER  16  -2.052   3.413  -0.180
  103    HG   SER  16           HG       SER  16  -1.142   5.226   0.412
  104    H    GLN  17           H        GLN  17  -2.163   4.872  -3.698
  105    HA   GLN  17           HA       GLN  17   0.027   5.531  -5.373
  106   1HB   GLN  17          HB2       GLN  17  -2.373   7.031  -4.511
  107   2HB   GLN  17          HB1       GLN  17  -1.322   7.628  -5.610
  108   1HG   GLN  17          HG2       GLN  17  -1.800   5.817  -7.066
  109   2HG   GLN  17          HG1       GLN  17  -2.828   5.191  -5.962
  110   1HE2  GLN  17          1HE2      GLN  17  -2.853   6.863  -8.800
  111   2HE2  GLN  17          2HE2      GLN  17  -4.341   7.757  -8.503
  112   1HN   PFF  18          H         PFF  18  -0.317   6.245  -1.987
  113    HA   PFF  18           HA       PFF  18   1.382   8.674  -2.205
  114   1HBC  PFF  18          HB2       PFF  18   0.007   7.327   0.126
  115   2HBC  PFF  18          HB3       PFF  18   0.873   8.859   0.213
  116    HD1  PFF  18           HD1      PFF  18   0.027  10.749  -1.424
  117    HD2  PFF  18           HD2      PFF  18  -2.273   7.214  -0.545
  118    HE1  PFF  18           HE1      PFF  18  -1.911  11.698  -2.653
  119    HE2  PFF  18           HE2      PFF  18  -4.226   8.195  -1.716
  120    H    GLY  19           H        GLY  19   1.988   5.413  -2.328
  121   1HA   GLY  19          HA3       GLY  19   4.009   4.304  -2.037
  122   2HA   GLY  19          HA2       GLY  19   4.736   5.794  -1.416
  123   1HN   PFF  20          H         PFF  20   1.791   4.919   0.221
  124    HA   PFF  20           HA       PFF  20   3.388   3.798   2.474
  125   1HBC  PFF  20          HB2       PFF  20   0.605   5.027   2.312
  126   2HBC  PFF  20          HB3       PFF  20   1.392   4.469   3.781
  127    HD1  PFF  20           HD1      PFF  20   4.029   5.549   3.783
  128    HD2  PFF  20           HD2      PFF  20   0.476   7.399   2.232
  129    HE1  PFF  20           HE1      PFF  20   4.845   7.765   4.561
  130    HE2  PFF  20           HE2      PFF  20   1.334   9.617   2.910
  131    H    CYS  21           H        CYS  21   2.365   1.905   3.609
  132    HA   CYS  21           HA       CYS  21   0.354   0.480   1.970
  133   1HB   CYS  21          HB2       CYS  21   1.685  -1.457   1.919
  134   2HB   CYS  21          HB1       CYS  21   2.594  -0.246   1.308
  135    H    GLY  22           H        GLY  22  -0.525  -1.427   2.985
  136   1HA   GLY  22          HA3       GLY  22  -0.139  -2.204   5.675
  137   2HA   GLY  22          HA2       GLY  22  -1.377  -0.935   5.676
  138    H    LYS  23           H        LYS  23  -2.351  -3.212   6.552
  139    HA   LYS  23           HA       LYS  23  -3.150  -5.053   4.525
  140   1HB   LYS  23          HB2       LYS  23  -2.996  -5.592   6.895
  141   2HB   LYS  23          HB1       LYS  23  -4.278  -4.637   7.230
  142   1HG   LYS  23          HG2       LYS  23  -5.102  -6.773   7.258
  143   2HG   LYS  23          HG1       LYS  23  -5.614  -6.140   5.841
  144   1HD   LYS  23          HD2       LYS  23  -3.236  -7.351   5.346
  145   2HD   LYS  23          HD1       LYS  23  -4.132  -8.407   6.212
  146   1HE   LYS  23          HE2       LYS  23  -4.654  -8.950   4.076
  147   2HE   LYS  23          HE1       LYS  23  -5.904  -7.995   4.514
  148   1HZ   LYS  23          HZ1       LYS  23  -4.961  -6.177   3.376
  149   2HZ   LYS  23          HZ2       LYS  23  -3.628  -7.105   3.018
  150   3HZ   LYS  23          HZ3       LYS  23  -5.083  -7.446   2.342
  151    H    GLY  24           H        GLY  24  -4.590  -2.325   5.733
  152   1HA   GLY  24          HA3       GLY  24  -7.284  -3.124   5.384
  153   2HA   GLY  24          HA2       GLY  24  -6.787  -1.503   5.872
  154    HA   PRO  25           HA       PRO  25  -9.061  -1.870   1.655
  155   1HB   PRO  25          HB2       PRO  25 -10.788   0.005   3.144
  156   2HB   PRO  25          HB1       PRO  25 -11.208  -1.079   1.997
  157   1HG   PRO  25          HG2       PRO  25 -11.578  -1.730   4.468
  158   2HG   PRO  25          HG1       PRO  25 -10.992  -2.870   3.455
  159   1HD   PRO  25          HD2       PRO  25  -9.521  -1.292   5.359
  160   2HD   PRO  25          HD1       PRO  25  -9.284  -2.863   4.977
  161    H    LYS  26           H        LYS  26  -8.319   1.024   3.694
  162    HA   LYS  26           HA       LYS  26  -8.260   2.851   1.524
  163   1HB   LYS  26          HB2       LYS  26  -7.093   2.827   4.224
  164   2HB   LYS  26          HB1       LYS  26  -6.591   3.984   3.187
  165   1HG   LYS  26          HG2       LYS  26  -9.349   3.558   3.900
  166   2HG   LYS  26          HG1       LYS  26  -8.414   4.728   4.554
  167   1HD   LYS  26          HD2       LYS  26  -9.242   4.598   1.794
  168   2HD   LYS  26          HD1       LYS  26  -9.789   5.673   2.896
  169   1HE   LYS  26          HE2       LYS  26  -8.324   6.992   1.910
  170   2HE   LYS  26          HE1       LYS  26  -7.301   6.292   2.974
  171   1HZ   LYS  26          HZ1       LYS  26  -6.528   4.811   1.246
  172   2HZ   LYS  26          HZ2       LYS  26  -7.568   5.483   0.211
  173   3HZ   LYS  26          HZ3       LYS  26  -6.351   6.409   0.856
  174    H    TYR  27           H        TYR  27  -5.960   0.412   2.284
  175    HA   TYR  27           HA       TYR  27  -4.110   1.583   0.239
  176   1HB   TYR  27          HB2       TYR  27  -3.691  -0.863   1.828
  177   2HB   TYR  27          HB1       TYR  27  -2.583  -0.010   0.985
  178    HD1  TYR  27           HD1      TYR  27  -1.691   2.171   1.834
  179    HD2  TYR  27           HD2      TYR  27  -4.306  -0.358   4.104
  180    HE1  TYR  27           HE1      TYR  27  -0.811   3.171   3.953
  181    HE2  TYR  27           HE2      TYR  27  -3.637   0.867   6.198
  182    HH   TYR  27           HH       TYR  27  -1.160   3.406   6.174
  183    H    CYS  28           H        CYS  28  -5.717  -1.488   1.204
  184    HA   CYS  28           HA       CYS  28  -4.868  -2.678  -1.258
  185   1HB   CYS  28          HB2       CYS  28  -5.176  -3.554   1.143
  186   2HB   CYS  28          HB1       CYS  28  -6.693  -3.922   0.664
  187    H    GLY  29           H        GLY  29  -7.799  -1.082  -0.381
  188   1HA   GLY  29          HA3       GLY  29  -8.902  -1.749  -3.078
  189   2HA   GLY  29          HA2       GLY  29  -9.938  -1.426  -1.677
  190    H    ARG  30           H        ARG  30  -6.946   0.325  -1.849
  191    HA   ARG  30           HA       ARG  30  -6.377   2.448  -1.937
  192   1HB   ARG  30          HB2       ARG  30  -6.672   1.972  -4.250
  193   2HB   ARG  30          HB1       ARG  30  -8.262   2.347  -4.219
  194   1HG   ARG  30          HG2       ARG  30  -7.018   4.057  -5.272
  195   2HG   ARG  30          HG1       ARG  30  -7.741   4.620  -3.920
  196   1HD   ARG  30          HD2       ARG  30  -5.654   4.360  -2.745
  197   2HD   ARG  30          HD1       ARG  30  -4.951   3.917  -4.151
  198    HE   ARG  30           HE       ARG  30  -4.963   6.117  -4.927
  199   1HH1  ARG  30          2HH2      ARG  30  -6.995   5.890  -2.064
  200   2HH1  ARG  30          1HH2      ARG  30  -7.288   7.597  -2.085
  201   1HH2  ARG  30          2HH1      ARG  30  -5.367   8.228  -4.854
  202   2HH2  ARG  30          1HH1      ARG  30  -6.392   8.883  -3.622
  203   1HN   NH2  31          1HN       NH2  31  -9.871   2.162  -1.495
  204   2HN   NH2  31          2HN       NH2  31 -10.041   3.720  -0.704
  205    H1   NAG  32           H1       NAG  32  -8.281  13.763  -1.041
  206    H2   NAG  32           H2       NAG  32  -6.669  11.555  -2.346
  207    H3   NAG  32           H3       NAG  32  -6.995  11.972   0.645
  208    H4   NAG  32           H4       NAG  32  -4.537  12.408  -1.135
  209    H5   NAG  32           H5       NAG  32  -6.441  14.335   0.261
  210   1H6   NAG  32          1H6       NAG  32  -4.924  15.987  -1.157
  211   2H6   NAG  32          2H6       NAG  32  -3.671  14.779  -0.838
  212   1H8   NAG  32          1H8       NAG  32 -10.311   9.218  -0.775
  213   2H8   NAG  32          2H8       NAG  32 -10.789  10.029  -2.295
  214   3H8   NAG  32          3H8       NAG  32 -10.102   8.392  -2.344
  215    HN2  NAG  32           HN2      NAG  32  -9.341  11.531  -0.992
  216    HO1  NAG  32           HO1      NAG  32  -7.639  14.302  -3.371
  217    HO3  NAG  32           HO3      NAG  32  -5.180  10.406   0.271
  218    HO6  NAG  32           HO6      NAG  32  -3.790  15.285   1.285
  219    H1   NAG  33           H1       NAG  33  -3.103  11.193   0.265
  220    H2   NAG  33           H2       NAG  33  -2.832  12.445   3.008
  221    H3   NAG  33           H3       NAG  33  -1.192  10.165   1.865
  222    H4   NAG  33           H4       NAG  33  -3.266   9.920   4.106
  223    H5   NAG  33           H5       NAG  33  -3.266   9.005   1.199
  224   1H6   NAG  33          1H6       NAG  33  -5.580   8.820   3.154
  225   2H6   NAG  33          2H6       NAG  33  -4.493   7.474   2.801
  226   1H8   NAG  33          1H8       NAG  33   0.719  14.471   1.493
  227   2H8   NAG  33          2H8       NAG  33  -0.026  14.378  -0.137
  228   3H8   NAG  33          3H8       NAG  33  -0.317  15.793   0.904
  229    HN2  NAG  33           HN2      NAG  33  -0.507  12.312   1.176
  230    HO3  NAG  33           HO3      NAG  33  -0.618  10.179   4.157
  231    HO6  NAG  33           HO6      NAG  33  -6.036   8.863   0.835
  232    H1   NAG  34           H1       NAG  34  -2.660   8.017   5.355
  233    H2   NAG  34           H2       NAG  34  -0.506   6.401   3.929
  234    H3   NAG  34           H3       NAG  34  -1.498   6.112   6.765
  235    H4   NAG  34           H4       NAG  34   1.183   7.072   5.577
  236    H5   NAG  34           H5       NAG  34  -1.021   8.434   7.193
  237   1H6   NAG  34          1H6       NAG  34   0.359  10.432   7.057
  238   2H6   NAG  34          2H6       NAG  34   1.592   9.580   6.114
  239   1H8   NAG  34          1H8       NAG  34  -3.832   4.070   1.702
  240   2H8   NAG  34          2H8       NAG  34  -4.015   3.682   3.434
  241   3H8   NAG  34          3H8       NAG  34  -4.700   5.205   2.778
  242    HN2  NAG  34           HN2      NAG  34  -3.075   5.232   4.896
  243    HO4  NAG  34           HO4      NAG  34   1.401   7.323   8.014
  244    HO3  NAG  34           HO3      NAG  34   0.558   4.957   6.698
  245    HO6  NAG  34           HO6      NAG  34   2.038   9.820   8.395
  Start of MODEL   15
    1   1H    VAL   1           H1       VAL   1   9.965   2.717   5.028
    2   2H    VAL   1           H2       VAL   1  11.079   1.904   4.230
    3   3H    VAL   1           H3       VAL   1  10.912   1.660   5.905
    4    HA   VAL   1           HA       VAL   1   9.171   0.883   3.667
    5    HB   VAL   1           HB       VAL   1  10.224  -0.760   6.013
    6   1HG1  VAL   1          1HG1      VAL   1   9.280  -2.667   4.674
    7   2HG1  VAL   1          2HG1      VAL   1   8.023  -1.588   5.282
    8   3HG1  VAL   1          3HG1      VAL   1   8.524  -1.491   3.579
    9   1HG2  VAL   1          1HG2      VAL   1  12.012  -0.262   4.391
   10   2HG2  VAL   1          2HG2      VAL   1  11.489  -1.934   4.199
   11   3HG2  VAL   1          3HG2      VAL   1  10.938  -0.706   3.042
   12    H    GLY   2           H        GLY   2   7.123   1.107   3.825
   13   1HA   GLY   2          HA3       GLY   2   5.083   1.209   5.524
   14   2HA   GLY   2          HA2       GLY   2   6.100   2.499   6.221
   15    H    GLU   3           H        GLU   3   7.321   3.624   4.090
   16    HA   GLU   3           HA       GLU   3   5.456   4.271   1.924
   17   1HB   GLU   3          HB2       GLU   3   7.223   5.336   1.025
   18   2HB   GLU   3          HB1       GLU   3   7.547   5.537   2.613
   19   1HG   GLU   3          HG2       GLU   3   8.903   3.725   0.847
   20   2HG   GLU   3          HG1       GLU   3   9.529   5.101   1.464
   21    H    CYS   4           H        CYS   4   5.566   3.086  -0.124
   22    HA   CYS   4           HA       CYS   4   5.622   0.301   0.489
   23   1HB   CYS   4          HB2       CYS   4   5.461   1.441  -2.218
   24   2HB   CYS   4          HB1       CYS   4   4.916  -0.018  -1.727
   25    H    VAL   5           H        VAL   5   6.713  -1.426  -0.584
   26    HA   VAL   5           HA       VAL   5   9.614  -0.986  -0.921
   27    HB   VAL   5           HB       VAL   5   8.018  -3.577  -0.856
   28   1HG1  VAL   5          1HG1      VAL   5  10.248  -3.809  -1.979
   29   2HG1  VAL   5          2HG1      VAL   5  11.017  -2.988  -0.605
   30   3HG1  VAL   5          3HG1      VAL   5  10.257  -4.577  -0.392
   31   1HG2  VAL   5          1HG2      VAL   5   7.880  -2.396   1.310
   32   2HG2  VAL   5          2HG2      VAL   5   8.941  -3.804   1.433
   33   3HG2  VAL   5          3HG2      VAL   5   9.640  -2.176   1.310
   34    H    ARG   6           H        ARG   6   8.516   0.359  -2.740
   35    HA   ARG   6           HA       ARG   6   8.531   0.838  -4.966
   36   1HB   ARG   6          HB2       ARG   6  10.685  -1.184  -4.863
   37   2HB   ARG   6          HB1       ARG   6  10.453  -0.154  -6.110
   38   1HG   ARG   6          HG2       ARG   6  12.023   0.958  -4.984
   39   2HG   ARG   6          HG1       ARG   6  10.681   1.618  -4.327
   40   1HD   ARG   6          HD2       ARG   6  11.668  -0.584  -2.897
   41   2HD   ARG   6          HD1       ARG   6  12.686   0.694  -2.924
   42    HE   ARG   6           HE       ARG   6   9.983   1.239  -2.028
   43   1HH1  ARG   6          2HH2      ARG   6  13.340   0.947  -0.985
   44   2HH1  ARG   6          1HH2      ARG   6  12.929   1.512   0.600
   45   1HH2  ARG   6          2HH1      ARG   6   9.561   1.825  -0.041
   46   2HH2  ARG   6          1HH1      ARG   6  10.832   1.998   1.123
   47    H    GLY   7           H        GLY   7   6.609  -0.746  -4.226
   48   1HA   GLY   7          HA3       GLY   7   4.888  -1.399  -6.039
   49   2HA   GLY   7          HA2       GLY   7   6.069  -2.606  -6.540
   50    H    ARG   8           H        ARG   8   6.571  -2.946  -3.345
   51    HA   ARG   8           HA       ARG   8   4.053  -4.479  -2.817
   52   1HB   ARG   8          HB2       ARG   8   6.785  -5.432  -3.028
   53   2HB   ARG   8          HB1       ARG   8   6.019  -5.927  -1.673
   54   1HG   ARG   8          HG2       ARG   8   5.236  -6.483  -4.376
   55   2HG   ARG   8          HG1       ARG   8   5.739  -7.573  -3.269
   56   1HD   ARG   8          HD2       ARG   8   3.183  -6.275  -3.365
   57   2HD   ARG   8          HD1       ARG   8   3.475  -7.877  -3.490
   58    HE   ARG   8           HE       ARG   8   4.268  -7.425  -0.953
   59   1HH1  ARG   8          2HH2      ARG   8   1.270  -6.640  -2.652
   60   2HH1  ARG   8          1HH2      ARG   8   0.350  -6.738  -1.188
   61   1HH2  ARG   8          2HH1      ARG   8   2.968  -7.445   0.862
   62   2HH2  ARG   8          1HH1      ARG   8   1.265  -7.171   0.705
   63    H    CYS   9           H        CYS   9   4.317  -5.388  -0.469
   64    HA   CYS   9           HA       CYS   9   6.149  -4.116   1.226
   65   1HB   CYS   9          HB2       CYS   9   3.476  -3.130   1.275
   66   2HB   CYS   9          HB1       CYS   9   3.875  -3.778   2.720
   67    HA   PRO  10           HA       PRO  10   5.996  -7.964   3.269
   68   1HB   PRO  10          HB2       PRO  10   4.623  -6.879   5.649
   69   2HB   PRO  10          HB1       PRO  10   5.904  -7.890   5.584
   70   1HG   PRO  10          HG2       PRO  10   6.380  -5.386   5.957
   71   2HG   PRO  10          HG1       PRO  10   7.345  -6.190   4.913
   72   1HD   PRO  10          HD2       PRO  10   5.141  -4.448   4.278
   73   2HD   PRO  10          HD1       PRO  10   6.563  -4.578   3.484
   74    H    SER  11           H        SER  11   4.698  -9.617   4.603
   75    HA   SER  11           HA       SER  11   2.800 -10.861   3.048
   76   1HB   SER  11          HB2       SER  11   2.378 -12.083   5.144
   77   2HB   SER  11          HB1       SER  11   3.976 -11.909   4.857
   78    HG   SER  11           HG       SER  11   2.513 -10.189   6.444
   79    H    GLY  12           H        GLY  12   0.833 -10.109   2.424
   80   1HA   GLY  12          HA3       GLY  12  -1.455  -9.795   2.784
   81   2HA   GLY  12          HA2       GLY  12  -1.162  -9.616   4.513
   82    H    MET  13           H        MET  13   0.976  -7.428   3.038
   83    HA   MET  13           HA       MET  13  -0.974  -5.237   3.441
   84   1HB   MET  13          HB2       MET  13   1.884  -5.130   2.747
   85   2HB   MET  13          HB1       MET  13   0.949  -3.849   3.135
   86   1HG   MET  13          HG2       MET  13   0.527  -4.964   5.274
   87   2HG   MET  13          HG1       MET  13   1.722  -6.002   4.875
   88   1HE   MET  13          HE1       MET  13   3.353  -3.972   7.754
   89   2HE   MET  13          HE2       MET  13   1.646  -4.453   7.618
   90   3HE   MET  13          HE3       MET  13   2.932  -5.601   7.177
   91    H    CYS  14           H        CYS  14  -1.090  -3.461   1.903
   92    HA   CYS  14           HA       CYS  14  -0.408  -4.118  -0.924
   93   1HB   CYS  14          HB2       CYS  14  -2.800  -2.602  -0.078
   94   2HB   CYS  14          HB1       CYS  14  -2.352  -2.937  -1.612
   95    H    CYS  15           H        CYS  15  -0.133  -2.061  -2.158
   96    HA   CYS  15           HA       CYS  15   1.033   0.149  -0.543
   97   1HB   CYS  15          HB2       CYS  15   2.225  -0.837  -2.467
   98   2HB   CYS  15          HB1       CYS  15   1.031  -0.339  -3.463
   99    H    SER  16           H        SER  16   0.292   2.393  -1.127
  100    HA   SER  16           HA       SER  16  -2.503   2.461  -2.197
  101   1HB   SER  16          HB2       SER  16  -2.996   3.930  -0.525
  102   2HB   SER  16          HB1       SER  16  -1.934   2.977   0.269
  103    HG   SER  16           HG       SER  16  -1.345   5.024   0.739
  104    H    GLN  17           H        GLN  17  -3.195   4.626  -2.888
  105    HA   GLN  17           HA       GLN  17  -1.755   5.925  -4.860
  106   1HB   GLN  17          HB2       GLN  17  -4.162   5.916  -4.277
  107   2HB   GLN  17          HB1       GLN  17  -3.867   6.965  -3.060
  108   1HG   GLN  17          HG2       GLN  17  -2.925   7.917  -5.492
  109   2HG   GLN  17          HG1       GLN  17  -4.536   7.649  -5.525
  110   1HE2  GLN  17          1HE2      GLN  17  -2.002   9.517  -4.035
  111   2HE2  GLN  17          2HE2      GLN  17  -3.115  10.756  -3.415
  112   1HN   PFF  18          H         PFF  18  -1.064   6.119  -1.458
  113    HA   PFF  18           HA       PFF  18   0.207   8.799  -1.770
  114   1HBC  PFF  18          HB2       PFF  18  -0.367   7.017   0.627
  115   2HBC  PFF  18          HB3       PFF  18   0.645   8.430   0.747
  116    HD1  PFF  18           HD1      PFF  18  -2.821   7.267   0.335
  117    HD2  PFF  18           HD2      PFF  18  -0.205  10.680   0.122
  118    HE1  PFF  18           HE1      PFF  18  -4.688   8.652  -0.551
  119    HE2  PFF  18           HE2      PFF  18  -2.067  12.057  -0.753
  120    H    GLY  19           H        GLY  19   1.082   5.644  -2.532
  121   1HA   GLY  19          HA3       GLY  19   3.190   4.670  -2.788
  122   2HA   GLY  19          HA2       GLY  19   3.957   6.190  -2.293
  123   1HN   PFF  20          H         PFF  20   1.465   4.914  -0.240
  124    HA   PFF  20           HA       PFF  20   3.445   3.993   1.791
  125   1HBC  PFF  20          HB2       PFF  20   0.946   5.672   1.921
  126   2HBC  PFF  20          HB3       PFF  20   1.337   4.620   3.267
  127    HD1  PFF  20           HD1      PFF  20   3.148   4.928   4.680
  128    HD2  PFF  20           HD2      PFF  20   2.569   7.593   1.398
  129    HE1  PFF  20           HE1      PFF  20   4.930   6.431   5.607
  130    HE2  PFF  20           HE2      PFF  20   4.225   9.169   2.360
  131    H    CYS  21           H        CYS  21   2.680   2.211   3.175
  132    HA   CYS  21           HA       CYS  21   0.677   0.532   1.709
  133   1HB   CYS  21          HB2       CYS  21   2.203  -1.183   1.684
  134   2HB   CYS  21          HB1       CYS  21   3.098   0.118   1.267
  135    H    GLY  22           H        GLY  22  -0.176  -1.305   2.779
  136   1HA   GLY  22          HA3       GLY  22   0.240  -1.984   5.488
  137   2HA   GLY  22          HA2       GLY  22  -1.039  -0.764   5.477
  138    H    LYS  23           H        LYS  23  -1.718  -3.101   6.485
  139    HA   LYS  23           HA       LYS  23  -2.695  -4.989   4.453
  140   1HB   LYS  23          HB2       LYS  23  -3.170  -6.361   6.377
  141   2HB   LYS  23          HB1       LYS  23  -1.600  -5.922   6.273
  142   1HG   LYS  23          HG2       LYS  23  -1.735  -4.553   8.062
  143   2HG   LYS  23          HG1       LYS  23  -3.351  -4.373   7.913
  144   1HD   LYS  23          HD2       LYS  23  -2.470  -6.977   8.583
  145   2HD   LYS  23          HD1       LYS  23  -2.302  -5.853   9.756
  146   1HE   LYS  23          HE2       LYS  23  -4.359  -6.978  10.027
  147   2HE   LYS  23          HE1       LYS  23  -4.636  -5.410   9.664
  148   1HZ   LYS  23          HZ1       LYS  23  -5.136  -5.973   7.450
  149   2HZ   LYS  23          HZ2       LYS  23  -4.789  -7.551   7.756
  150   3HZ   LYS  23          HZ3       LYS  23  -6.093  -6.834   8.460
  151    H    GLY  24           H        GLY  24  -4.180  -2.932   3.828
  152   1HA   GLY  24          HA3       GLY  24  -6.672  -4.177   3.922
  153   2HA   GLY  24          HA2       GLY  24  -6.755  -2.958   5.199
  154    HA   PRO  25           HA       PRO  25  -8.269  -1.563   0.912
  155   1HB   PRO  25          HB2       PRO  25 -10.438  -0.668   2.696
  156   2HB   PRO  25          HB1       PRO  25 -10.535  -1.203   1.156
  157   1HG   PRO  25          HG2       PRO  25 -11.096  -2.867   3.044
  158   2HG   PRO  25          HG1       PRO  25 -10.207  -3.412   1.787
  159   1HD   PRO  25          HD2       PRO  25  -9.264  -2.634   4.395
  160   2HD   PRO  25          HD1       PRO  25  -8.732  -3.876   3.478
  161    H    LYS  26           H        LYS  26  -7.968   0.172   4.027
  162    HA   LYS  26           HA       LYS  26  -8.055   2.822   3.159
  163   1HB   LYS  26          HB2       LYS  26  -6.380   1.437   5.175
  164   2HB   LYS  26          HB1       LYS  26  -6.145   3.029   4.892
  165   1HG   LYS  26          HG2       LYS  26  -8.636   1.885   5.785
  166   2HG   LYS  26          HG1       LYS  26  -7.599   2.701   6.748
  167   1HD   LYS  26          HD2       LYS  26  -9.190   3.805   4.616
  168   2HD   LYS  26          HD1       LYS  26  -9.280   4.196   6.199
  169   1HE   LYS  26          HE2       LYS  26  -8.068   5.935   5.639
  170   2HE   LYS  26          HE1       LYS  26  -6.815   4.887   5.661
  171   1HZ   LYS  26          HZ1       LYS  26  -6.761   6.165   3.725
  172   2HZ   LYS  26          HZ2       LYS  26  -7.024   4.623   3.259
  173   3HZ   LYS  26          HZ3       LYS  26  -8.267   5.770   3.351
  174    H    TYR  27           H        TYR  27  -5.558   0.460   2.734
  175    HA   TYR  27           HA       TYR  27  -3.812   2.368   1.265
  176   1HB   TYR  27          HB2       TYR  27  -3.390  -0.358   2.362
  177   2HB   TYR  27          HB1       TYR  27  -2.276   0.441   1.474
  178    HD1  TYR  27           HD1      TYR  27  -1.176   2.456   2.272
  179    HD2  TYR  27           HD2      TYR  27  -3.825   0.191   4.755
  180    HE1  TYR  27           HE1      TYR  27  -0.175   3.528   4.299
  181    HE2  TYR  27           HE2      TYR  27  -2.999   1.472   6.759
  182    HH   TYR  27           HH       TYR  27  -0.439   3.960   6.453
  183    H    CYS  28           H        CYS  28  -5.315  -0.881   1.067
  184    HA   CYS  28           HA       CYS  28  -4.297  -1.410  -1.509
  185   1HB   CYS  28          HB2       CYS  28  -5.161  -2.852   0.431
  186   2HB   CYS  28          HB1       CYS  28  -6.612  -2.761  -0.313
  187    H    GLY  29           H        GLY  29  -7.211   0.293  -0.585
  188   1HA   GLY  29          HA3       GLY  29  -7.738   0.742  -3.495
  189   2HA   GLY  29          HA2       GLY  29  -9.069   0.524  -2.346
  190    H    ARG  30           H        ARG  30  -6.080   2.136  -1.439
  191    HA   ARG  30           HA       ARG  30  -5.851   3.962  -0.136
  192   1HB   ARG  30          HB2       ARG  30  -5.832   5.938  -1.332
  193   2HB   ARG  30          HB1       ARG  30  -5.396   4.744  -2.358
  194   1HG   ARG  30          HG2       ARG  30  -6.972   5.270  -3.775
  195   2HG   ARG  30          HG1       ARG  30  -8.101   5.355  -2.599
  196   1HD   ARG  30          HD2       ARG  30  -6.214   7.489  -3.065
  197   2HD   ARG  30          HD1       ARG  30  -7.698   7.479  -3.748
  198    HE   ARG  30           HE       ARG  30  -8.109   7.107  -1.063
  199   1HH1  ARG  30          2HH2      ARG  30  -6.435   9.724  -2.737
  200   2HH1  ARG  30          1HH2      ARG  30  -7.061  10.906  -1.637
  201   1HH2  ARG  30          2HH1      ARG  30  -9.022   8.723   0.130
  202   2HH2  ARG  30          1HH1      ARG  30  -8.480  10.357  -0.064
  203   1HN   NH2  31          1HN       NH2  31  -9.458   4.006   1.057
  204   2HN   NH2  31          2HN       NH2  31  -8.435   2.696   0.473
  205    H1   NAG  32           H1       NAG  32 -10.763  11.500   2.558
  206    H2   NAG  32           H2       NAG  32  -8.809   9.181   2.321
  207    H3   NAG  32           H3       NAG  32  -8.686  11.570   4.198
  208    H4   NAG  32           H4       NAG  32  -7.013  10.564   1.842
  209    H5   NAG  32           H5       NAG  32  -8.717  13.046   2.319
  210   1H6   NAG  32          1H6       NAG  32  -6.882  13.761   0.937
  211   2H6   NAG  32          2H6       NAG  32  -8.255  13.462  -0.131
  212   1H8   NAG  32          1H8       NAG  32 -11.054   6.338   5.207
  213   2H8   NAG  32          2H8       NAG  32 -10.845   7.843   6.140
  214   3H8   NAG  32          3H8       NAG  32 -12.129   7.719   4.898
  215    HN2  NAG  32           HN2      NAG  32 -10.824   9.751   4.487
  216    HO1  NAG  32           HO1      NAG  32 -11.313  10.585   0.547
  217    HO3  NAG  32           HO3      NAG  32  -6.695  10.401   4.622
  218    HO6  NAG  32           HO6      NAG  32  -5.817  12.331  -0.050
  219    H1   NAG  33           H1       NAG  33  -4.803  10.991   1.892
  220    H2   NAG  33           H2       NAG  33  -3.893  12.350   4.459
  221    H3   NAG  33           H3       NAG  33  -2.285  10.814   2.391
  222    H4   NAG  33           H4       NAG  33  -2.996  10.006   5.221
  223    H5   NAG  33           H5       NAG  33  -4.120   8.900   2.615
  224   1H6   NAG  33          1H6       NAG  33  -4.866   8.492   5.575
  225   2H6   NAG  33          2H6       NAG  33  -4.059   7.291   4.569
  226   1H8   NAG  33          1H8       NAG  33  -3.390  15.089  -0.072
  227   2H8   NAG  33          2H8       NAG  33  -3.329  15.747   1.582
  228   3H8   NAG  33          3H8       NAG  33  -1.948  14.804   0.934
  229    HN2  NAG  33           HN2      NAG  33  -2.639  13.909   3.104
  230    HO3  NAG  33           HO3      NAG  33  -0.831  10.820   4.277
  231    HO6  NAG  33           HO6      NAG  33  -6.632   8.433   4.179
  232    H1   NAG  34           H1       NAG  34  -1.769   8.335   5.901
  233    H2   NAG  34           H2       NAG  34   0.046   6.903   3.906
  234    H3   NAG  34           H3       NAG  34  -0.484   6.703   6.916
  235    H4   NAG  34           H4       NAG  34   1.904   7.583   5.227
  236    H5   NAG  34           H5       NAG  34   0.185   9.112   7.191
  237   1H6   NAG  34          1H6       NAG  34   1.535  11.029   6.500
  238   2H6   NAG  34          2H6       NAG  34   2.419  10.038   5.325
  239   1H8   NAG  34          1H8       NAG  34  -4.313   5.419   3.359
  240   2H8   NAG  34          2H8       NAG  34  -3.469   4.029   2.682
  241   3H8   NAG  34          3H8       NAG  34  -3.576   4.193   4.446
  242    HN2  NAG  34           HN2      NAG  34  -2.288   5.692   5.415
  243    HO4  NAG  34           HO4      NAG  34   2.675   7.952   7.483
  244    HO3  NAG  34           HO3      NAG  34   1.517   5.501   6.592
  245    HO6  NAG  34           HO6      NAG  34   3.539  10.401   7.322
  Start of MODEL   16
    1   1H    VAL   1           H1       VAL   1   6.211   7.679   6.415
    2   2H    VAL   1           H2       VAL   1   7.366   7.388   5.237
    3   3H    VAL   1           H3       VAL   1   7.753   8.266   6.554
    4    HA   VAL   1           HA       VAL   1   8.581   5.946   6.449
    5    HB   VAL   1           HB       VAL   1   8.072   5.405   8.814
    6   1HG1  VAL   1          1HG1      VAL   1   8.908   8.301   8.331
    7   2HG1  VAL   1          2HG1      VAL   1   9.327   7.268   9.705
    8   3HG1  VAL   1          3HG1      VAL   1   9.942   6.872   8.094
    9   1HG2  VAL   1          1HG2      VAL   1   6.899   7.009  10.218
   10   2HG2  VAL   1          2HG2      VAL   1   6.475   8.014   8.830
   11   3HG2  VAL   1          3HG2      VAL   1   5.776   6.384   9.010
   12    H    GLY   2           H        GLY   2   8.114   3.940   5.987
   13   1HA   GLY   2          HA3       GLY   2   6.803   1.853   6.166
   14   2HA   GLY   2          HA2       GLY   2   5.337   2.820   6.372
   15    H    GLU   3           H        GLU   3   7.814   3.705   4.050
   16    HA   GLU   3           HA       GLU   3   5.803   3.738   1.923
   17   1HB   GLU   3          HB2       GLU   3   7.733   4.792   0.730
   18   2HB   GLU   3          HB1       GLU   3   6.989   5.630   1.919
   19   1HG   GLU   3          HG2       GLU   3   9.511   4.326   2.336
   20   2HG   GLU   3          HG1       GLU   3   9.406   5.878   1.836
   21    H    CYS   4           H        CYS   4   5.940   2.721  -0.085
   22    HA   CYS   4           HA       CYS   4   6.691  -0.003   0.427
   23   1HB   CYS   4          HB2       CYS   4   5.685   1.061  -2.123
   24   2HB   CYS   4          HB1       CYS   4   5.548  -0.465  -1.559
   25    H    VAL   5           H        VAL   5   7.844  -1.416  -0.776
   26    HA   VAL   5           HA       VAL   5  10.352  -0.559  -2.044
   27    HB   VAL   5           HB       VAL   5   9.122  -3.342  -1.765
   28   1HG1  VAL   5          1HG1      VAL   5  10.808  -3.196  -3.585
   29   2HG1  VAL   5          2HG1      VAL   5  11.947  -2.408  -2.469
   30   3HG1  VAL   5          3HG1      VAL   5  11.447  -4.090  -2.203
   31   1HG2  VAL   5          1HG2      VAL   5  10.792  -3.622   0.050
   32   2HG2  VAL   5          2HG2      VAL   5  11.214  -1.902  -0.082
   33   3HG2  VAL   5          3HG2      VAL   5   9.592  -2.390   0.450
   34    H    ARG   6           H        ARG   6   9.199   0.765  -3.534
   35    HA   ARG   6           HA       ARG   6   8.487   1.309  -5.616
   36   1HB   ARG   6          HB2       ARG   6  10.492  -0.520  -5.930
   37   2HB   ARG   6          HB1       ARG   6   9.354  -1.079  -6.960
   38   1HG   ARG   6          HG2       ARG   6  10.445   1.586  -7.020
   39   2HG   ARG   6          HG1       ARG   6  10.847   0.399  -8.067
   40   1HD   ARG   6          HD2       ARG   6   8.300   1.734  -7.919
   41   2HD   ARG   6          HD1       ARG   6   9.363   1.821  -9.157
   42    HE   ARG   6           HE       ARG   6   7.597  -0.355  -8.534
   43   1HH1  ARG   6          2HH2      ARG   6  10.138   0.731 -10.719
   44   2HH1  ARG   6          1HH2      ARG   6   9.821  -0.537 -11.855
   45   1HH2  ARG   6          2HH1      ARG   6   7.223  -1.928 -10.054
   46   2HH2  ARG   6          1HH1      ARG   6   8.196  -2.019 -11.484
   47    H    GLY   7           H        GLY   7   6.712   0.189  -4.015
   48   1HA   GLY   7          HA3       GLY   7   4.304   0.121  -4.585
   49   2HA   GLY   7          HA2       GLY   7   4.679  -0.944  -5.930
   50    H    ARG   8           H        ARG   8   6.520  -2.304  -3.415
   51    HA   ARG   8           HA       ARG   8   4.120  -3.711  -2.293
   52   1HB   ARG   8          HB2       ARG   8   6.492  -4.780  -3.618
   53   2HB   ARG   8          HB1       ARG   8   5.982  -5.590  -2.294
   54   1HG   ARG   8          HG2       ARG   8   4.505  -5.187  -4.720
   55   2HG   ARG   8          HG1       ARG   8   5.044  -6.615  -4.140
   56   1HD   ARG   8          HD2       ARG   8   2.807  -5.094  -3.191
   57   2HD   ARG   8          HD1       ARG   8   2.791  -6.625  -3.759
   58    HE   ARG   8           HE       ARG   8   4.287  -6.794  -1.450
   59   1HH1  ARG   8          2HH2      ARG   8   0.939  -5.997  -2.266
   60   2HH1  ARG   8          1HH2      ARG   8   0.409  -6.363  -0.659
   61   1HH2  ARG   8          2HH1      ARG   8   3.477  -7.105   0.592
   62   2HH2  ARG   8          1HH1      ARG   8   1.775  -6.959   0.877
   63    H    CYS   9           H        CYS   9   4.554  -4.959  -0.404
   64    HA   CYS   9           HA       CYS   9   7.045  -4.484   1.044
   65   1HB   CYS   9          HB2       CYS   9   4.333  -4.023   2.041
   66   2HB   CYS   9          HB1       CYS   9   5.352  -4.817   3.040
   67    HA   PRO  10           HA       PRO  10   6.675  -9.033   1.609
   68   1HB   PRO  10          HB2       PRO  10   6.383  -8.483   4.489
   69   2HB   PRO  10          HB1       PRO  10   7.306  -9.610   3.750
   70   1HG   PRO  10          HG2       PRO  10   8.471  -7.462   4.571
   71   2HG   PRO  10          HG1       PRO  10   8.894  -8.038   3.102
   72   1HD   PRO  10          HD2       PRO  10   7.062  -5.881   3.677
   73   2HD   PRO  10          HD1       PRO  10   8.192  -5.930   2.498
   74    H    SER  11           H        SER  11   5.169 -10.644   2.900
   75    HA   SER  11           HA       SER  11   2.635 -10.221   1.726
   76   1HB   SER  11          HB2       SER  11   3.592 -12.407   2.263
   77   2HB   SER  11          HB1       SER  11   3.189 -12.206   3.833
   78    HG   SER  11           HG       SER  11   1.610 -13.353   2.612
   79    H    GLY  12           H        GLY  12   0.607 -10.837   3.057
   80   1HA   GLY  12          HA3       GLY  12  -1.150 -10.011   4.334
   81   2HA   GLY  12          HA2       GLY  12   0.065  -9.690   5.567
   82    H    MET  13           H        MET  13   1.330  -7.579   3.601
   83    HA   MET  13           HA       MET  13  -0.618  -5.391   4.182
   84   1HB   MET  13          HB2       MET  13   2.176  -5.232   3.231
   85   2HB   MET  13          HB1       MET  13   1.271  -4.004   3.814
   86   1HG   MET  13          HG2       MET  13   1.288  -5.021   5.960
   87   2HG   MET  13          HG1       MET  13   2.213  -6.232   5.373
   88   1HE   MET  13          HE1       MET  13   4.746  -4.470   7.718
   89   2HE   MET  13          HE2       MET  13   3.010  -4.738   7.994
   90   3HE   MET  13          HE3       MET  13   4.008  -6.026   7.274
   91    H    CYS  14           H        CYS  14  -0.882  -3.647   2.600
   92    HA   CYS  14           HA       CYS  14  -0.299  -4.367  -0.249
   93   1HB   CYS  14          HB2       CYS  14  -2.763  -3.008   0.594
   94   2HB   CYS  14          HB1       CYS  14  -2.412  -3.641  -0.871
   95    H    CYS  15           H        CYS  15  -0.114  -2.432  -1.668
   96    HA   CYS  15           HA       CYS  15   1.093  -0.204  -0.137
   97   1HB   CYS  15          HB2       CYS  15   2.351  -1.362  -1.878
   98   2HB   CYS  15          HB1       CYS  15   1.304  -0.818  -3.007
   99    H    SER  16           H        SER  16   0.308   1.892  -0.231
  100    HA   SER  16           HA       SER  16  -2.452   2.160  -1.143
  101   1HB   SER  16          HB2       SER  16  -2.406   4.088   0.206
  102   2HB   SER  16          HB1       SER  16  -1.529   2.987   1.034
  103    HG   SER  16           HG       SER  16  -0.525   4.959   1.110
  104    H    GLN  17           H        GLN  17  -3.234   4.161  -2.168
  105    HA   GLN  17           HA       GLN  17  -1.698   5.057  -4.394
  106   1HB   GLN  17          HB2       GLN  17  -3.468   6.380  -4.870
  107   2HB   GLN  17          HB1       GLN  17  -4.135   5.054  -4.189
  108   1HG   GLN  17          HG2       GLN  17  -3.744   7.525  -2.778
  109   2HG   GLN  17          HG1       GLN  17  -5.159   7.106  -3.476
  110   1HE2  GLN  17          1HE2      GLN  17  -5.651   4.561  -2.769
  111   2HE2  GLN  17          2HE2      GLN  17  -5.569   4.373  -0.997
  112   1HN   PFF  18          H         PFF  18  -1.038   5.717  -1.195
  113    HA   PFF  18           HA       PFF  18   0.318   8.251  -2.000
  114   1HBC  PFF  18          HB2       PFF  18  -0.802   7.287   0.641
  115   2HBC  PFF  18          HB3       PFF  18   0.541   8.451   0.590
  116    HD1  PFF  18           HD1      PFF  18   0.333  10.588  -0.773
  117    HD2  PFF  18           HD2      PFF  18  -2.998   8.070   0.198
  118    HE1  PFF  18           HE1      PFF  18  -1.220  12.302  -1.689
  119    HE2  PFF  18           HE2      PFF  18  -4.563   9.742  -0.828
  120    H    GLY  19           H        GLY  19   0.901   5.018  -2.013
  121   1HA   GLY  19          HA3       GLY  19   2.967   4.081  -2.464
  122   2HA   GLY  19          HA2       GLY  19   3.768   5.572  -1.962
  123   1HN   PFF  20          H         PFF  20   1.506   4.170   0.358
  124    HA   PFF  20           HA       PFF  20   3.856   3.195   1.929
  125   1HBC  PFF  20          HB2       PFF  20   1.204   4.364   2.859
  126   2HBC  PFF  20          HB3       PFF  20   2.505   3.772   3.864
  127    HD1  PFF  20           HD1      PFF  20   1.450   6.566   1.729
  128    HD2  PFF  20           HD2      PFF  20   4.722   4.889   3.952
  129    HE1  PFF  20           HE1      PFF  20   2.551   8.798   1.804
  130    HE2  PFF  20           HE2      PFF  20   5.905   7.065   3.842
  131    H    CYS  21           H        CYS  21   3.534   1.432   3.374
  132    HA   CYS  21           HA       CYS  21   1.786  -0.637   2.188
  133   1HB   CYS  21          HB2       CYS  21   3.916  -0.777   4.220
  134   2HB   CYS  21          HB1       CYS  21   3.137  -2.067   3.589
  135    H    GLY  22           H        GLY  22  -0.192  -1.218   3.110
  136   1HA   GLY  22          HA3       GLY  22  -0.435  -1.426   5.998
  137   2HA   GLY  22          HA2       GLY  22  -1.295  -0.034   5.342
  138    H    LYS  23           H        LYS  23  -3.292  -0.773   5.818
  139    HA   LYS  23           HA       LYS  23  -4.238  -3.404   4.748
  140   1HB   LYS  23          HB2       LYS  23  -4.818  -2.071   7.345
  141   2HB   LYS  23          HB1       LYS  23  -5.517  -3.458   6.843
  142   1HG   LYS  23          HG2       LYS  23  -2.686  -3.251   7.307
  143   2HG   LYS  23          HG1       LYS  23  -3.725  -3.762   8.458
  144   1HD   LYS  23          HD2       LYS  23  -4.383  -5.554   6.923
  145   2HD   LYS  23          HD1       LYS  23  -3.123  -5.112   5.982
  146   1HE   LYS  23          HE2       LYS  23  -1.598  -5.607   7.697
  147   2HE   LYS  23          HE1       LYS  23  -2.816  -5.879   8.751
  148   1HZ   LYS  23          HZ1       LYS  23  -1.884  -7.918   7.959
  149   2HZ   LYS  23          HZ2       LYS  23  -3.468  -7.781   7.525
  150   3HZ   LYS  23          HZ3       LYS  23  -2.287  -7.473   6.428
  151    H    GLY  24           H        GLY  24  -6.666  -3.529   4.964
  152   1HA   GLY  24          HA3       GLY  24  -8.802  -2.870   4.507
  153   2HA   GLY  24          HA2       GLY  24  -8.347  -1.277   5.132
  154    HA   PRO  25           HA       PRO  25  -9.651  -1.113   0.599
  155   1HB   PRO  25          HB2       PRO  25 -11.105   1.157   1.791
  156   2HB   PRO  25          HB1       PRO  25 -11.575   0.161   0.585
  157   1HG   PRO  25          HG2       PRO  25 -12.527  -0.261   2.952
  158   2HG   PRO  25          HG1       PRO  25 -12.093  -1.556   2.057
  159   1HD   PRO  25          HD2       PRO  25 -10.594  -0.314   4.186
  160   2HD   PRO  25          HD1       PRO  25 -10.737  -1.912   3.876
  161    H    LYS  26           H        LYS  26  -8.851   1.551   2.865
  162    HA   LYS  26           HA       LYS  26  -8.065   3.386   0.909
  163   1HB   LYS  26          HB2       LYS  26  -8.349   3.458   3.573
  164   2HB   LYS  26          HB1       LYS  26  -6.732   3.657   3.456
  165   1HG   LYS  26          HG2       LYS  26  -8.564   5.324   1.995
  166   2HG   LYS  26          HG1       LYS  26  -8.049   5.727   3.492
  167   1HD   LYS  26          HD2       LYS  26  -5.801   5.796   2.667
  168   2HD   LYS  26          HD1       LYS  26  -6.364   5.478   1.167
  169   1HE   LYS  26          HE2       LYS  26  -7.500   7.524   1.095
  170   2HE   LYS  26          HE1       LYS  26  -7.154   7.817   2.665
  171   1HZ   LYS  26          HZ1       LYS  26  -5.153   7.629   0.601
  172   2HZ   LYS  26          HZ2       LYS  26  -5.704   9.077   1.240
  173   3HZ   LYS  26          HZ3       LYS  26  -4.910   8.050   2.193
  174    H    TYR  27           H        TYR  27  -5.945   0.953   2.489
  175    HA   TYR  27           HA       TYR  27  -3.743   1.894   0.692
  176   1HB   TYR  27          HB2       TYR  27  -3.757  -0.222   2.734
  177   2HB   TYR  27          HB1       TYR  27  -2.500   0.084   1.738
  178    HD1  TYR  27           HD1      TYR  27  -4.602   2.191   3.995
  179    HD2  TYR  27           HD2      TYR  27  -0.682   1.199   2.594
  180    HE1  TYR  27           HE1      TYR  27  -3.595   3.334   5.968
  181    HE2  TYR  27           HE2      TYR  27   0.310   2.541   4.458
  182    HH   TYR  27           HH       TYR  27  -0.168   3.924   6.240
  183    H    CYS  28           H        CYS  28  -5.721  -1.054   1.343
  184    HA   CYS  28           HA       CYS  28  -4.316  -2.391  -0.823
  185   1HB   CYS  28          HB2       CYS  28  -5.054  -3.304   1.411
  186   2HB   CYS  28          HB1       CYS  28  -6.548  -3.460   0.770
  187    H    GLY  29           H        GLY  29  -7.605  -1.103  -0.425
  188   1HA   GLY  29          HA3       GLY  29  -8.560  -2.226  -2.993
  189   2HA   GLY  29          HA2       GLY  29  -9.382  -1.036  -1.970
  190    H    ARG  30           H        ARG  30  -7.258   0.715  -1.661
  191    HA   ARG  30           HA       ARG  30  -5.956   2.337  -2.370
  192   1HB   ARG  30          HB2       ARG  30  -4.306   1.762  -3.741
  193   2HB   ARG  30          HB1       ARG  30  -4.881   0.287  -3.342
  194   1HG   ARG  30          HG2       ARG  30  -6.119   0.701  -5.611
  195   2HG   ARG  30          HG1       ARG  30  -4.701   1.463  -5.884
  196   1HD   ARG  30          HD2       ARG  30  -4.356  -0.716  -6.578
  197   2HD   ARG  30          HD1       ARG  30  -3.590  -0.600  -5.140
  198    HE   ARG  30           HE       ARG  30  -5.209  -1.941  -4.086
  199   1HH1  ARG  30          2HH2      ARG  30  -6.077  -1.398  -7.459
  200   2HH1  ARG  30          1HH2      ARG  30  -7.291  -2.632  -7.405
  201   1HH2  ARG  30          2HH1      ARG  30  -6.685  -3.516  -4.121
  202   2HH2  ARG  30          1HH1      ARG  30  -7.630  -3.813  -5.542
  203   1HN   NH2  31          1HN       NH2  31  -8.478   3.230  -5.409
  204   2HN   NH2  31          2HN       NH2  31  -8.395   1.566  -4.829
  205    H1   NAG  32           H1       NAG  32  -7.018  14.217   3.126
  206    H2   NAG  32           H2       NAG  32  -7.239  11.974   1.085
  207    H3   NAG  32           H3       NAG  32  -5.366  12.201   3.434
  208    H4   NAG  32           H4       NAG  32  -4.399  12.466   0.603
  209    H5   NAG  32           H5       NAG  32  -4.874  14.909   2.313
  210   1H6   NAG  32          1H6       NAG  32  -4.554  16.124   0.285
  211   2H6   NAG  32          2H6       NAG  32  -4.741  14.677  -0.713
  212   1H8   NAG  32          1H8       NAG  32  -9.240  11.222   5.372
  213   2H8   NAG  32          2H8       NAG  32  -9.791  10.042   4.144
  214   3H8   NAG  32          3H8       NAG  32  -8.696   9.532   5.453
  215    HN2  NAG  32           HN2      NAG  32  -8.893  12.048   3.071
  216    HO1  NAG  32           HO1      NAG  32  -8.456  14.782   1.144
  217    HO3  NAG  32           HO3      NAG  32  -5.379  10.241   2.918
  218    HO6  NAG  32           HO6      NAG  32  -2.574  14.976   1.099
  219    H1   NAG  33           H1       NAG  33  -2.492  11.334   1.455
  220    H2   NAG  33           H2       NAG  33  -1.114  12.796   3.749
  221    H3   NAG  33           H3       NAG  33  -0.179  10.331   2.242
  222    H4   NAG  33           H4       NAG  33  -1.156  10.422   5.127
  223    H5   NAG  33           H5       NAG  33  -2.498   9.322   2.614
  224   1H6   NAG  33          1H6       NAG  33  -3.684   9.591   5.403
  225   2H6   NAG  33          2H6       NAG  33  -2.917   8.104   4.837
  226   1H8   NAG  33          1H8       NAG  33   0.476  15.847   0.545
  227   2H8   NAG  33          2H8       NAG  33   1.642  14.547   0.909
  228   3H8   NAG  33          3H8       NAG  33   0.411  14.330  -0.382
  229    HN2  NAG  33           HN2      NAG  33   0.444  12.441   1.303
  230    HO3  NAG  33           HO3      NAG  33   1.206  10.291   4.158
  231    HO6  NAG  33           HO6      NAG  33  -5.380   8.959   4.385
  232    H1   NAG  34           H1       NAG  34  -0.453   8.461   6.144
  233    H2   NAG  34           H2       NAG  34   0.913   6.584   4.198
  234    H3   NAG  34           H3       NAG  34   0.515   6.440   7.196
  235    H4   NAG  34           H4       NAG  34   2.997   6.734   5.417
  236    H5   NAG  34           H5       NAG  34   1.750   8.711   7.327
  237   1H6   NAG  34          1H6       NAG  34   3.512  10.157   6.792
  238   2H6   NAG  34          2H6       NAG  34   3.897   9.324   5.288
  239   1H8   NAG  34          1H8       NAG  34  -3.082   4.555   3.046
  240   2H8   NAG  34          2H8       NAG  34  -3.424   5.434   4.573
  241   3H8   NAG  34          3H8       NAG  34  -3.416   6.297   3.016
  242    HN2  NAG  34           HN2      NAG  34  -1.591   5.850   5.669
  243    HO4  NAG  34           HO4      NAG  34   3.868   5.856   7.153
  244    HO3  NAG  34           HO3      NAG  34   2.018   4.713   6.856
  245    HO6  NAG  34           HO6      NAG  34   4.234   7.836   7.577
  Start of MODEL   17
    1   1H    VAL   1           H1       VAL   1   6.548   8.419   5.620
    2   2H    VAL   1           H2       VAL   1   7.093   9.094   7.006
    3   3H    VAL   1           H3       VAL   1   5.546   8.481   6.942
    4    HA   VAL   1           HA       VAL   1   7.911   6.835   6.464
    5    HB   VAL   1           HB       VAL   1   7.629   5.928   8.761
    6   1HG1  VAL   1          1HG1      VAL   1   8.923   7.665   9.828
    7   2HG1  VAL   1          2HG1      VAL   1   9.405   7.552   8.129
    8   3HG1  VAL   1          3HG1      VAL   1   8.368   8.889   8.681
    9   1HG2  VAL   1          1HG2      VAL   1   5.965   8.447   9.291
   10   2HG2  VAL   1          2HG2      VAL   1   5.345   6.778   9.302
   11   3HG2  VAL   1          3HG2      VAL   1   6.550   7.285  10.486
   12    H    GLY   2           H        GLY   2   7.457   4.887   5.893
   13   1HA   GLY   2          HA3       GLY   2   6.086   2.764   6.313
   14   2HA   GLY   2          HA2       GLY   2   4.656   3.767   6.085
   15    H    GLU   3           H        GLU   3   7.343   4.530   4.038
   16    HA   GLU   3           HA       GLU   3   5.760   4.441   1.719
   17   1HB   GLU   3          HB2       GLU   3   8.654   4.847   2.137
   18   2HB   GLU   3          HB1       GLU   3   7.859   5.188   0.752
   19   1HG   GLU   3          HG2       GLU   3   8.096   7.200   1.771
   20   2HG   GLU   3          HG1       GLU   3   6.541   6.784   2.052
   21    H    CYS   4           H        CYS   4   5.273   2.676   0.505
   22    HA   CYS   4           HA       CYS   4   6.217   0.149   1.231
   23   1HB   CYS   4          HB2       CYS   4   4.885  -0.602  -0.564
   24   2HB   CYS   4          HB1       CYS   4   4.108   0.637   0.161
   25    H    VAL   5           H        VAL   5   6.821  -1.540  -0.546
   26    HA   VAL   5           HA       VAL   5   9.620  -0.853  -1.084
   27    HB   VAL   5           HB       VAL   5   8.216  -3.516  -1.473
   28   1HG1  VAL   5          1HG1      VAL   5  10.496  -4.427  -1.029
   29   2HG1  VAL   5          2HG1      VAL   5  10.555  -3.365  -2.430
   30   3HG1  VAL   5          3HG1      VAL   5  11.130  -2.781  -0.858
   31   1HG2  VAL   5          1HG2      VAL   5   9.517  -2.382   1.033
   32   2HG2  VAL   5          2HG2      VAL   5   7.815  -2.853   0.843
   33   3HG2  VAL   5          3HG2      VAL   5   9.072  -4.085   0.804
   34    H    ARG   6           H        ARG   6   8.126   0.624  -2.596
   35    HA   ARG   6           HA       ARG   6   7.863   1.513  -4.660
   36   1HB   ARG   6          HB2       ARG   6  10.066  -0.341  -5.274
   37   2HB   ARG   6          HB1       ARG   6   9.542   0.817  -6.300
   38   1HG   ARG   6          HG2       ARG   6  11.264   1.853  -5.276
   39   2HG   ARG   6          HG1       ARG   6   9.982   2.393  -4.420
   40   1HD   ARG   6          HD2       ARG   6  11.205   0.138  -3.294
   41   2HD   ARG   6          HD1       ARG   6  12.173   1.453  -3.339
   42    HE   ARG   6           HE       ARG   6   9.573   1.663  -2.018
   43   1HH1  ARG   6          2HH2      ARG   6  13.051   1.946  -1.623
   44   2HH1  ARG   6          1HH2      ARG   6  12.864   2.419   0.032
   45   1HH2  ARG   6          2HH1      ARG   6   9.433   2.188   0.064
   46   2HH2  ARG   6          1HH1      ARG   6  10.867   2.552   0.963
   47    H    GLY   7           H        GLY   7   6.002   0.001  -3.902
   48   1HA   GLY   7          HA3       GLY   7   3.975  -0.334  -5.199
   49   2HA   GLY   7          HA2       GLY   7   4.900  -1.214  -6.410
   50    H    ARG   8           H        ARG   8   6.006  -2.293  -3.374
   51    HA   ARG   8           HA       ARG   8   4.024  -4.495  -3.179
   52   1HB   ARG   8          HB2       ARG   8   6.963  -4.592  -3.600
   53   2HB   ARG   8          HB1       ARG   8   6.151  -5.855  -2.955
   54   1HG   ARG   8          HG2       ARG   8   5.059  -6.300  -4.894
   55   2HG   ARG   8          HG1       ARG   8   5.291  -4.790  -5.472
   56   1HD   ARG   8          HD2       ARG   8   7.301  -6.852  -5.323
   57   2HD   ARG   8          HD1       ARG   8   6.628  -6.281  -6.697
   58    HE   ARG   8           HE       ARG   8   8.877  -5.243  -5.446
   59   1HH1  ARG   8          2HH2      ARG   8   6.108  -4.006  -7.270
   60   2HH1  ARG   8          1HH2      ARG   8   6.890  -2.478  -7.505
   61   1HH2  ARG   8          2HH1      ARG   8   9.661  -3.198  -5.661
   62   2HH2  ARG   8          1HH1      ARG   8   8.811  -2.042  -6.632
   63    H    CYS   9           H        CYS   9   4.434  -5.727  -1.036
   64    HA   CYS   9           HA       CYS   9   5.664  -4.060   1.067
   65   1HB   CYS   9          HB2       CYS   9   2.863  -4.990   0.813
   66   2HB   CYS   9          HB1       CYS   9   3.502  -4.523   2.241
   67    HA   PRO  10           HA       PRO  10   6.334  -8.236   2.698
   68   1HB   PRO  10          HB2       PRO  10   6.656  -7.699   5.283
   69   2HB   PRO  10          HB1       PRO  10   7.816  -7.281   4.212
   70   1HG   PRO  10          HG2       PRO  10   5.821  -5.552   5.394
   71   2HG   PRO  10          HG1       PRO  10   7.397  -5.209   5.138
   72   1HD   PRO  10          HD2       PRO  10   5.511  -4.400   3.466
   73   2HD   PRO  10          HD1       PRO  10   7.045  -4.660   2.969
   74    H    SER  11           H        SER  11   5.290  -9.734   4.200
   75    HA   SER  11           HA       SER  11   3.347 -10.897   4.688
   76   1HB   SER  11          HB2       SER  11   3.607  -9.406   6.613
   77   2HB   SER  11          HB1       SER  11   2.535  -8.367   5.950
   78    HG   SER  11           HG       SER  11   1.643  -9.897   7.453
   79    H    GLY  12           H        GLY  12   0.812 -10.364   4.928
   80   1HA   GLY  12          HA3       GLY  12  -0.169 -10.320   2.184
   81   2HA   GLY  12          HA2       GLY  12  -1.169 -10.399   3.634
   82    H    MET  13           H        MET  13   1.072  -7.679   2.967
   83    HA   MET  13           HA       MET  13  -1.281  -5.864   3.271
   84   1HB   MET  13          HB2       MET  13   1.625  -5.352   3.471
   85   2HB   MET  13          HB1       MET  13   0.477  -4.199   3.615
   86   1HG   MET  13          HG2       MET  13  -0.450  -5.538   5.446
   87   2HG   MET  13          HG1       MET  13   0.929  -6.411   5.391
   88   1HE   MET  13          HE1       MET  13   3.693  -4.008   6.573
   89   2HE   MET  13          HE2       MET  13   3.294  -5.687   6.142
   90   3HE   MET  13          HE3       MET  13   3.245  -4.415   4.901
   91    H    CYS  14           H        CYS  14  -1.086  -3.757   2.015
   92    HA   CYS  14           HA       CYS  14  -0.307  -4.284  -0.821
   93   1HB   CYS  14          HB2       CYS  14  -2.744  -2.844  -0.024
   94   2HB   CYS  14          HB1       CYS  14  -2.391  -3.525  -1.466
   95    H    CYS  15           H        CYS  15  -0.047  -2.185  -2.050
   96    HA   CYS  15           HA       CYS  15   0.970  -0.072  -0.226
   97   1HB   CYS  15          HB2       CYS  15   2.546  -0.912  -1.822
   98   2HB   CYS  15          HB1       CYS  15   1.596  -0.453  -3.069
   99    H    SER  16           H        SER  16  -0.055   1.788  -0.020
  100    HA   SER  16           HA       SER  16  -2.522   2.411  -1.398
  101   1HB   SER  16          HB2       SER  16  -2.479   4.334  -0.076
  102   2HB   SER  16          HB1       SER  16  -1.798   3.204   0.886
  103    HG   SER  16           HG       SER  16  -0.716   5.109   1.017
  104    H    GLN  17           H        GLN  17  -2.896   4.298  -2.712
  105    HA   GLN  17           HA       GLN  17  -0.681   4.802  -4.570
  106   1HB   GLN  17          HB2       GLN  17  -3.557   5.360  -4.577
  107   2HB   GLN  17          HB1       GLN  17  -2.568   6.051  -5.678
  108   1HG   GLN  17          HG2       GLN  17  -3.536   3.986  -6.485
  109   2HG   GLN  17          HG1       GLN  17  -1.903   3.949  -6.485
  110   1HE2  GLN  17          1HE2      GLN  17  -0.797   2.247  -5.417
  111   2HE2  GLN  17          2HE2      GLN  17  -1.634   1.246  -4.242
  112   1HN   PFF  18          H         PFF  18  -1.275   6.019  -1.607
  113    HA   PFF  18           HA       PFF  18   0.046   8.598  -2.260
  114   1HBC  PFF  18          HB2       PFF  18  -0.644   7.385   0.437
  115   2HBC  PFF  18          HB3       PFF  18  -0.007   9.001   0.133
  116    HD1  PFF  18           HD1      PFF  18  -2.971   7.044   0.575
  117    HD2  PFF  18           HD2      PFF  18  -1.450  10.564  -1.390
  118    HE1  PFF  18           HE1      PFF  18  -5.292   7.879   0.269
  119    HE2  PFF  18           HE2      PFF  18  -3.774  11.387  -1.709
  120    H    GLY  19           H        GLY  19   0.826   5.269  -1.922
  121   1HA   GLY  19          HA3       GLY  19   2.997   4.610  -2.512
  122   2HA   GLY  19          HA2       GLY  19   3.679   6.031  -1.729
  123   1HN   PFF  20          H         PFF  20   1.347   4.330   0.297
  124    HA   PFF  20           HA       PFF  20   3.712   3.457   1.917
  125   1HBC  PFF  20          HB2       PFF  20   0.941   4.400   2.699
  126   2HBC  PFF  20          HB3       PFF  20   2.203   3.896   3.806
  127    HD1  PFF  20           HD1      PFF  20   1.191   6.502   1.391
  128    HD2  PFF  20           HD2      PFF  20   4.133   5.345   4.284
  129    HE1  PFF  20           HE1      PFF  20   1.844   8.894   1.677
  130    HE2  PFF  20           HE2      PFF  20   4.879   7.697   4.463
  131    H    CYS  21           H        CYS  21   3.478   1.558   3.310
  132    HA   CYS  21           HA       CYS  21   1.757  -0.523   2.063
  133   1HB   CYS  21          HB2       CYS  21   3.888  -0.578   4.086
  134   2HB   CYS  21          HB1       CYS  21   2.923  -1.876   3.858
  135    H    GLY  22           H        GLY  22  -0.144  -1.362   2.891
  136   1HA   GLY  22          HA3       GLY  22  -0.267  -1.808   5.726
  137   2HA   GLY  22          HA2       GLY  22  -1.401  -0.529   5.272
  138    H    LYS  23           H        LYS  23  -2.473  -2.776   6.346
  139    HA   LYS  23           HA       LYS  23  -3.366  -4.470   4.116
  140   1HB   LYS  23          HB2       LYS  23  -2.789  -5.440   6.267
  141   2HB   LYS  23          HB1       LYS  23  -3.995  -4.617   7.000
  142   1HG   LYS  23          HG2       LYS  23  -4.640  -6.843   6.742
  143   2HG   LYS  23          HG1       LYS  23  -5.589  -5.904   5.801
  144   1HD   LYS  23          HD2       LYS  23  -3.318  -7.146   4.610
  145   2HD   LYS  23          HD1       LYS  23  -4.649  -8.056   4.873
  146   1HE   LYS  23          HE2       LYS  23  -5.920  -6.572   3.502
  147   2HE   LYS  23          HE1       LYS  23  -4.574  -5.691   3.221
  148   1HZ   LYS  23          HZ1       LYS  23  -5.002  -8.403   2.379
  149   2HZ   LYS  23          HZ2       LYS  23  -4.898  -7.085   1.387
  150   3HZ   LYS  23          HZ3       LYS  23  -3.579  -7.621   2.216
  151    H    GLY  24           H        GLY  24  -4.394  -1.695   5.456
  152   1HA   GLY  24          HA3       GLY  24  -7.261  -2.157   5.530
  153   2HA   GLY  24          HA2       GLY  24  -6.472  -0.583   5.698
  154    HA   PRO  25           HA       PRO  25  -8.694  -1.450   1.530
  155   1HB   PRO  25          HB2       PRO  25 -10.739   0.297   1.864
  156   2HB   PRO  25          HB1       PRO  25 -10.848  -1.290   2.235
  157   1HG   PRO  25          HG2       PRO  25 -10.363   0.901   4.058
  158   2HG   PRO  25          HG1       PRO  25 -11.337  -0.387   4.299
  159   1HD   PRO  25          HD2       PRO  25  -8.958  -0.385   5.345
  160   2HD   PRO  25          HD1       PRO  25  -9.574  -1.783   4.766
  161    H    LYS  26           H        LYS  26  -8.099   1.629   3.302
  162    HA   LYS  26           HA       LYS  26  -7.790   3.361   1.088
  163   1HB   LYS  26          HB2       LYS  26  -6.358   3.388   3.663
  164   2HB   LYS  26          HB1       LYS  26  -6.491   4.646   2.630
  165   1HG   LYS  26          HG2       LYS  26  -8.991   4.234   2.977
  166   2HG   LYS  26          HG1       LYS  26  -8.472   3.588   4.384
  167   1HD   LYS  26          HD2       LYS  26  -8.886   5.749   4.970
  168   2HD   LYS  26          HD1       LYS  26  -7.276   5.771   4.695
  169   1HE   LYS  26          HE2       LYS  26  -7.663   6.609   2.495
  170   2HE   LYS  26          HE1       LYS  26  -9.273   6.585   2.769
  171   1HZ   LYS  26          HZ1       LYS  26  -8.550   8.781   3.041
  172   2HZ   LYS  26          HZ2       LYS  26  -8.919   8.203   4.533
  173   3HZ   LYS  26          HZ3       LYS  26  -7.348   8.305   4.032
  174    H    TYR  27           H        TYR  27  -5.622   0.880   2.335
  175    HA   TYR  27           HA       TYR  27  -3.374   1.784   0.648
  176   1HB   TYR  27          HB2       TYR  27  -3.674  -0.630   2.330
  177   2HB   TYR  27          HB1       TYR  27  -2.302  -0.152   1.584
  178    HD1  TYR  27           HD1      TYR  27  -0.934   1.671   2.374
  179    HD2  TYR  27           HD2      TYR  27  -4.512   0.447   4.392
  180    HE1  TYR  27           HE1      TYR  27  -0.205   2.927   4.401
  181    HE2  TYR  27           HE2      TYR  27  -3.838   1.820   6.388
  182    HH   TYR  27           HH       TYR  27  -0.802   3.667   6.425
  183    H    CYS  28           H        CYS  28  -5.642  -0.993   0.948
  184    HA   CYS  28           HA       CYS  28  -4.358  -2.240  -1.322
  185   1HB   CYS  28          HB2       CYS  28  -5.303  -3.195   0.864
  186   2HB   CYS  28          HB1       CYS  28  -6.718  -3.278   0.051
  187    H    GLY  29           H        GLY  29  -5.070  -0.202  -2.507
  188   1HA   GLY  29          HA3       GLY  29  -5.865   0.297  -4.645
  189   2HA   GLY  29          HA2       GLY  29  -6.743  -1.232  -4.648
  190    H    ARG  30           H        ARG  30  -8.229  -0.581  -2.219
  191    HA   ARG  30           HA       ARG  30  -9.962   0.488  -1.306
  192   1HB   ARG  30          HB2       ARG  30  -9.547   2.638  -3.303
  193   2HB   ARG  30          HB1       ARG  30 -10.658   2.707  -2.108
  194   1HG   ARG  30          HG2       ARG  30  -9.097   2.932  -0.497
  195   2HG   ARG  30          HG1       ARG  30  -7.931   2.236  -1.404
  196   1HD   ARG  30          HD2       ARG  30  -8.949   4.903  -1.836
  197   2HD   ARG  30          HD1       ARG  30  -7.511   4.566  -1.139
  198    HE   ARG  30           HE       ARG  30  -8.110   4.489  -3.923
  199   1HH1  ARG  30          2HH1      ARG  30  -5.614   3.462  -1.629
  200   2HH1  ARG  30          1HH1      ARG  30  -4.710   2.708  -2.899
  201   1HH2  ARG  30          2HH2      ARG  30  -7.021   3.304  -5.358
  202   2HH2  ARG  30          1HH2      ARG  30  -5.486   2.618  -4.944
  203   1HN   NH2  31          1HN       NH2  31 -11.712  -0.029  -5.004
  204   2HN   NH2  31          2HN       NH2  31 -10.078   0.641  -4.891
  205    H1   NAG  32           H1       NAG  32  -7.834  14.832   1.393
  206    H2   NAG  32           H2       NAG  32  -7.468  12.116   0.101
  207    H3   NAG  32           H3       NAG  32  -6.705  12.878   2.956
  208    H4   NAG  32           H4       NAG  32  -4.918  12.414   0.531
  209    H5   NAG  32           H5       NAG  32  -5.592  15.018   1.919
  210   1H6   NAG  32          1H6       NAG  32  -3.323  15.233   1.444
  211   2H6   NAG  32          2H6       NAG  32  -4.085  15.894  -0.001
  212   1H8   NAG  32          1H8       NAG  32 -11.110  12.154   3.183
  213   2H8   NAG  32          2H8       NAG  32 -11.554  11.698   1.511
  214   3H8   NAG  32          3H8       NAG  32 -11.311  10.441   2.743
  215    HN2  NAG  32           HN2      NAG  32  -9.668  13.187   1.438
  216    HO1  NAG  32           HO1      NAG  32  -7.937  14.932  -1.086
  217    HO3  NAG  32           HO3      NAG  32  -7.261  10.656   1.994
  218    HO6  NAG  32           HO6      NAG  32  -3.538  14.047  -1.093
  219    H1   NAG  33           H1       NAG  33  -3.480  11.126   1.513
  220    H2   NAG  33           H2       NAG  33  -1.873  12.566   3.610
  221    H3   NAG  33           H3       NAG  33  -1.028  10.035   2.176
  222    H4   NAG  33           H4       NAG  33  -2.073  10.048   5.025
  223    H5   NAG  33           H5       NAG  33  -3.581   9.179   2.535
  224   1H6   NAG  33          1H6       NAG  33  -4.464   9.298   5.446
  225   2H6   NAG  33          2H6       NAG  33  -4.269   7.823   4.465
  226   1H8   NAG  33          1H8       NAG  33  -0.072  14.413   0.018
  227   2H8   NAG  33          2H8       NAG  33   1.103  13.195  -0.547
  228   3H8   NAG  33          3H8       NAG  33  -0.620  13.041  -0.987
  229    HN2  NAG  33           HN2      NAG  33  -2.005  13.210   0.997
  230    HO3  NAG  33           HO3      NAG  33   0.564  11.248   3.083
  231    HO6  NAG  33           HO6      NAG  33  -5.757   9.961   3.451
  232    H1   NAG  34           H1       NAG  34  -1.671   7.938   5.945
  233    H2   NAG  34           H2       NAG  34   0.082   6.330   4.051
  234    H3   NAG  34           H3       NAG  34  -0.492   6.115   7.041
  235    H4   NAG  34           H4       NAG  34   2.001   6.830   5.419
  236    H5   NAG  34           H5       NAG  34   0.247   8.463   7.309
  237   1H6   NAG  34          1H6       NAG  34   2.760   9.140   5.708
  238   2H6   NAG  34          2H6       NAG  34   2.468   9.422   7.432
  239   1H8   NAG  34          1H8       NAG  34  -3.997   4.901   2.315
  240   2H8   NAG  34          2H8       NAG  34  -3.568   3.649   3.501
  241   3H8   NAG  34          3H8       NAG  34  -4.291   5.190   4.053
  242    HN2  NAG  34           HN2      NAG  34  -2.278   5.080   5.413
  243    HO4  NAG  34           HO4      NAG  34   3.100   6.427   7.230
  244    HO3  NAG  34           HO3      NAG  34   1.392   4.754   6.766
  245    HO6  NAG  34           HO6      NAG  34   0.874  10.524   5.332
  Start of MODEL   18
    1   1H    VAL   1           H1       VAL   1   2.653   2.198   6.335
    2   2H    VAL   1           H2       VAL   1   1.686   2.763   7.535
    3   3H    VAL   1           H3       VAL   1   1.461   1.242   6.940
    4    HA   VAL   1           HA       VAL   1   3.911   2.131   8.291
    5    HB   VAL   1           HB       VAL   1   3.111   0.581  10.155
    6   1HG1  VAL   1          1HG1      VAL   1   1.629   3.212   9.704
    7   2HG1  VAL   1          2HG1      VAL   1   1.948   2.415  11.253
    8   3HG1  VAL   1          3HG1      VAL   1   3.297   3.044  10.296
    9   1HG2  VAL   1          1HG2      VAL   1   0.709   0.396  10.513
   10   2HG2  VAL   1          2HG2      VAL   1   0.340   1.200   8.985
   11   3HG2  VAL   1          3HG2      VAL   1   1.097  -0.408   8.993
   12    H    GLY   2           H        GLY   2   5.373   1.153   7.247
   13   1HA   GLY   2          HA3       GLY   2   6.653  -1.017   6.987
   14   2HA   GLY   2          HA2       GLY   2   5.104  -1.766   6.529
   15    H    GLU   3           H        GLU   3   6.547   1.355   5.688
   16    HA   GLU   3           HA       GLU   3   5.198   1.552   3.348
   17   1HB   GLU   3          HB2       GLU   3   7.563   2.912   4.422
   18   2HB   GLU   3          HB1       GLU   3   7.013   3.333   2.943
   19   1HG   GLU   3          HG2       GLU   3   6.117   4.560   4.953
   20   2HG   GLU   3          HG1       GLU   3   5.082   4.161   3.754
   21    H    CYS   4           H        CYS   4   5.624   1.751   1.183
   22    HA   CYS   4           HA       CYS   4   6.607  -0.879   0.538
   23   1HB   CYS   4          HB2       CYS   4   5.334   1.123  -1.218
   24   2HB   CYS   4          HB1       CYS   4   5.358  -0.495  -1.435
   25    H    VAL   5           H        VAL   5   7.700  -1.463  -1.400
   26    HA   VAL   5           HA       VAL   5   9.928   0.239  -2.293
   27    HB   VAL   5           HB       VAL   5   9.001  -2.455  -3.361
   28   1HG1  VAL   5          1HG1      VAL   5  11.389  -2.649  -4.065
   29   2HG1  VAL   5          2HG1      VAL   5  10.658  -1.239  -4.829
   30   3HG1  VAL   5          3HG1      VAL   5  11.719  -1.029  -3.422
   31   1HG2  VAL   5          1HG2      VAL   5   9.464  -2.741  -0.984
   32   2HG2  VAL   5          2HG2      VAL   5  10.805  -3.404  -1.914
   33   3HG2  VAL   5          3HG2      VAL   5  10.975  -1.818  -1.134
   34    H    ARG   6           H        ARG   6   7.834   1.645  -2.597
   35    HA   ARG   6           HA       ARG   6   6.499   2.917  -3.930
   36   1HB   ARG   6          HB2       ARG   6   8.522   2.301  -5.992
   37   2HB   ARG   6          HB1       ARG   6   7.561   3.621  -5.939
   38   1HG   ARG   6          HG2       ARG   6   9.674   3.040  -4.065
   39   2HG   ARG   6          HG1       ARG   6   9.747   4.180  -5.232
   40   1HD   ARG   6          HD2       ARG   6   9.285   5.451  -3.449
   41   2HD   ARG   6          HD1       ARG   6   7.778   5.173  -4.012
   42    HE   ARG   6           HE       ARG   6   8.747   3.395  -1.941
   43   1HH1  ARG   6          2HH2      ARG   6   6.673   6.145  -2.638
   44   2HH1  ARG   6          1HH2      ARG   6   5.767   5.927  -1.178
   45   1HH2  ARG   6          2HH1      ARG   6   7.497   3.080  -0.199
   46   2HH2  ARG   6          1HH1      ARG   6   6.232   4.194   0.199
   47    H    GLY   7           H        GLY   7   5.702   0.439  -3.630
   48   1HA   GLY   7          HA3       GLY   7   3.376   0.381  -5.128
   49   2HA   GLY   7          HA2       GLY   7   4.452  -0.619  -6.102
   50    H    ARG   8           H        ARG   8   5.780  -1.868  -3.669
   51    HA   ARG   8           HA       ARG   8   3.460  -3.246  -2.398
   52   1HB   ARG   8          HB2       ARG   8   5.608  -4.351  -4.022
   53   2HB   ARG   8          HB1       ARG   8   5.301  -5.172  -2.644
   54   1HG   ARG   8          HG2       ARG   8   3.411  -4.684  -4.755
   55   2HG   ARG   8          HG1       ARG   8   4.088  -6.128  -4.403
   56   1HD   ARG   8          HD2       ARG   8   2.073  -4.751  -2.892
   57   2HD   ARG   8          HD1       ARG   8   1.956  -6.234  -3.566
   58    HE   ARG   8           HE       ARG   8   3.952  -6.225  -1.532
   59   1HH1  ARG   8          2HH2      ARG   8   0.474  -6.509  -1.986
   60   2HH1  ARG   8          1HH2      ARG   8   0.279  -7.268  -0.441
   61   1HH2  ARG   8          2HH1      ARG   8   3.614  -7.120   0.402
   62   2HH2  ARG   8          1HH1      ARG   8   2.024  -7.607   0.886
   63    H    CYS   9           H        CYS   9   3.742  -4.036  -0.350
   64    HA   CYS   9           HA       CYS   9   6.302  -3.538   1.058
   65   1HB   CYS   9          HB2       CYS   9   4.276  -4.678   2.601
   66   2HB   CYS   9          HB1       CYS   9   4.987  -3.219   2.785
   67    HA   PRO  10           HA       PRO  10   6.643  -8.110   1.000
   68   1HB   PRO  10          HB2       PRO  10   7.503  -8.680   3.448
   69   2HB   PRO  10          HB1       PRO  10   8.496  -7.920   2.397
   70   1HG   PRO  10          HG2       PRO  10   6.959  -6.704   4.534
   71   2HG   PRO  10          HG1       PRO  10   8.522  -6.413   4.159
   72   1HD   PRO  10          HD2       PRO  10   6.613  -4.825   3.294
   73   2HD   PRO  10          HD1       PRO  10   7.975  -5.050   2.421
   74    H    SER  11           H        SER  11   5.787 -10.032   2.293
   75    HA   SER  11           HA       SER  11   4.091 -11.251   3.207
   76   1HB   SER  11          HB2       SER  11   5.144 -10.083   5.096
   77   2HB   SER  11          HB1       SER  11   3.915  -9.008   5.102
   78    HG   SER  11           HG       SER  11   3.676 -10.827   6.540
   79    H    GLY  12           H        GLY  12   1.916 -10.936   4.506
   80   1HA   GLY  12          HA3       GLY  12  -0.103 -10.619   2.473
   81   2HA   GLY  12          HA2       GLY  12  -0.396 -10.951   4.179
   82    H    MET  13           H        MET  13   1.327  -7.999   3.387
   83    HA   MET  13           HA       MET  13  -0.993  -6.365   4.294
   84   1HB   MET  13          HB2       MET  13   1.816  -5.601   3.817
   85   2HB   MET  13          HB1       MET  13   0.651  -4.644   4.447
   86   1HG   MET  13          HG2       MET  13   1.708  -7.003   5.710
   87   2HG   MET  13          HG1       MET  13   2.051  -5.470   6.159
   88   1HE   MET  13          HE1       MET  13   0.122  -6.692   9.269
   89   2HE   MET  13          HE2       MET  13   1.292  -7.593   8.277
   90   3HE   MET  13          HE3       MET  13   1.598  -5.888   8.687
   91    H    CYS  14           H        CYS  14  -1.114  -4.167   3.022
   92    HA   CYS  14           HA       CYS  14  -0.750  -4.612   0.100
   93   1HB   CYS  14          HB2       CYS  14  -3.153  -3.326   1.096
   94   2HB   CYS  14          HB1       CYS  14  -2.919  -4.170  -0.282
   95    H    CYS  15           H        CYS  15  -1.204  -2.370  -1.049
   96    HA   CYS  15           HA       CYS  15   0.383  -0.340   0.469
   97   1HB   CYS  15          HB2       CYS  15   1.753  -1.857  -0.885
   98   2HB   CYS  15          HB1       CYS  15   0.969  -1.376  -2.235
   99    H    SER  16           H        SER  16  -0.150   1.810   0.053
  100    HA   SER  16           HA       SER  16  -2.329   2.358  -1.866
  101   1HB   SER  16          HB2       SER  16  -2.225   4.526  -0.899
  102   2HB   SER  16          HB1       SER  16  -2.213   3.438   0.319
  103    HG   SER  16           HG       SER  16  -0.780   4.940   0.824
  104    H    GLN  17           H        GLN  17  -2.009   4.419  -3.379
  105    HA   GLN  17           HA       GLN  17   0.256   3.765  -5.036
  106   1HB   GLN  17          HB2       GLN  17  -0.732   4.978  -6.581
  107   2HB   GLN  17          HB1       GLN  17  -2.021   4.472  -5.714
  108   1HG   GLN  17          HG2       GLN  17  -0.920   7.063  -5.259
  109   2HG   GLN  17          HG1       GLN  17  -1.985   6.827  -6.475
  110   1HE2  GLN  17          1HE2      GLN  17  -3.591   8.219  -5.709
  111   2HE2  GLN  17          2HE2      GLN  17  -4.501   7.810  -4.267
  112   1HN   PFF  18          H         PFF  18  -0.032   5.880  -2.385
  113    HA   PFF  18           HA       PFF  18   2.369   7.446  -3.161
  114   1HBC  PFF  18          HB2       PFF  18   0.570   7.386  -0.720
  115   2HBC  PFF  18          HB3       PFF  18   2.125   8.214  -0.713
  116    HD1  PFF  18           HD1      PFF  18  -1.095   8.065  -2.671
  117    HD2  PFF  18           HD2      PFF  18   2.351  10.399  -1.542
  118    HE1  PFF  18           HE1      PFF  18  -1.894   9.942  -4.081
  119    HE2  PFF  18           HE2      PFF  18   1.486  12.307  -2.868
  120    H    GLY  19           H        GLY  19   1.862   4.267  -2.305
  121   1HA   GLY  19          HA3       GLY  19   3.388   2.673  -1.786
  122   2HA   GLY  19          HA2       GLY  19   4.636   3.891  -1.669
  123   1HN   PFF  20          H         PFF  20   1.625   3.949   0.228
  124    HA   PFF  20           HA       PFF  20   3.239   3.468   2.705
  125   1HBC  PFF  20          HB2       PFF  20   1.500   5.517   2.178
  126   2HBC  PFF  20          HB3       PFF  20   0.416   4.365   2.917
  127    HD1  PFF  20           HD1      PFF  20   3.751   5.994   3.401
  128    HD2  PFF  20           HD2      PFF  20   0.505   4.003   5.370
  129    HE1  PFF  20           HE1      PFF  20   4.581   6.827   5.586
  130    HE2  PFF  20           HE2      PFF  20   1.340   4.814   7.558
  131    H    CYS  21           H        CYS  21   2.564   1.856   4.143
  132    HA   CYS  21           HA       CYS  21   1.038  -0.273   2.692
  133   1HB   CYS  21          HB2       CYS  21   3.388  -0.536   3.363
  134   2HB   CYS  21          HB1       CYS  21   2.917  -0.581   4.926
  135    H    GLY  22           H        GLY  22  -0.607  -1.518   3.607
  136   1HA   GLY  22          HA3       GLY  22  -1.151  -1.792   6.359
  137   2HA   GLY  22          HA2       GLY  22  -2.199  -0.498   5.735
  138    H    LYS  23           H        LYS  23  -3.770  -2.383   6.485
  139    HA   LYS  23           HA       LYS  23  -4.475  -3.791   3.936
  140   1HB   LYS  23          HB2       LYS  23  -5.038  -4.722   6.682
  141   2HB   LYS  23          HB1       LYS  23  -5.624  -5.429   5.331
  142   1HG   LYS  23          HG2       LYS  23  -3.331  -5.777   4.608
  143   2HG   LYS  23          HG1       LYS  23  -2.841  -5.242   6.071
  144   1HD   LYS  23          HD2       LYS  23  -2.814  -7.581   6.098
  145   2HD   LYS  23          HD1       LYS  23  -4.000  -7.068   7.097
  146   1HE   LYS  23          HE2       LYS  23  -4.763  -8.904   5.818
  147   2HE   LYS  23          HE1       LYS  23  -5.621  -7.567   5.435
  148   1HZ   LYS  23          HZ1       LYS  23  -4.375  -7.289   3.474
  149   2HZ   LYS  23          HZ2       LYS  23  -3.400  -8.531   3.893
  150   3HZ   LYS  23          HZ3       LYS  23  -4.971  -8.823   3.498
  151    H    GLY  24           H        GLY  24  -5.276  -1.199   5.529
  152   1HA   GLY  24          HA3       GLY  24  -8.200  -1.288   5.457
  153   2HA   GLY  24          HA2       GLY  24  -7.197   0.155   5.675
  154    HA   PRO  25           HA       PRO  25  -9.611  -0.520   1.683
  155   1HB   PRO  25          HB2       PRO  25 -10.615   2.036   1.513
  156   2HB   PRO  25          HB1       PRO  25 -11.395   0.747   2.143
  157   1HG   PRO  25          HG2       PRO  25  -9.957   2.794   3.575
  158   2HG   PRO  25          HG1       PRO  25 -11.338   2.049   4.028
  159   1HD   PRO  25          HD2       PRO  25  -9.107   1.295   5.099
  160   2HD   PRO  25          HD1       PRO  25 -10.228   0.164   4.735
  161    H    LYS  26           H        LYS  26  -7.935   2.641   2.144
  162    HA   LYS  26           HA       LYS  26  -7.123   2.728  -0.648
  163   1HB   LYS  26          HB2       LYS  26  -6.680   4.378   1.718
  164   2HB   LYS  26          HB1       LYS  26  -5.593   4.528   0.509
  165   1HG   LYS  26          HG2       LYS  26  -8.413   5.043   0.283
  166   2HG   LYS  26          HG1       LYS  26  -7.242   6.182   0.296
  167   1HD   LYS  26          HD2       LYS  26  -7.929   4.395  -1.827
  168   2HD   LYS  26          HD1       LYS  26  -7.765   6.019  -1.898
  169   1HE   LYS  26          HE2       LYS  26  -5.535   4.219  -1.635
  170   2HE   LYS  26          HE1       LYS  26  -6.022   4.841  -3.064
  171   1HZ   LYS  26          HZ1       LYS  26  -4.222   6.084  -2.353
  172   2HZ   LYS  26          HZ2       LYS  26  -5.542   7.034  -2.216
  173   3HZ   LYS  26          HZ3       LYS  26  -4.857   6.337  -0.878
  174    H    TYR  27           H        TYR  27  -5.851   0.798   1.817
  175    HA   TYR  27           HA       TYR  27  -3.130   0.852   0.561
  176   1HB   TYR  27          HB2       TYR  27  -4.079  -0.758   2.840
  177   2HB   TYR  27          HB1       TYR  27  -2.534  -0.547   2.353
  178    HD1  TYR  27           HD1      TYR  27  -1.527   1.859   2.480
  179    HD2  TYR  27           HD2      TYR  27  -5.127   0.639   4.445
  180    HE1  TYR  27           HE1      TYR  27  -1.227   3.658   4.180
  181    HE2  TYR  27           HE2      TYR  27  -4.779   2.401   6.191
  182    HH   TYR  27           HH       TYR  27  -2.069   4.688   6.126
  183    H    CYS  28           H        CYS  28  -5.889  -1.310   1.321
  184    HA   CYS  28           HA       CYS  28  -4.811  -3.273  -0.594
  185   1HB   CYS  28          HB2       CYS  28  -5.574  -3.499   1.889
  186   2HB   CYS  28          HB1       CYS  28  -7.028  -3.789   1.204
  187    H    GLY  29           H        GLY  29  -6.839  -0.755  -1.127
  188   1HA   GLY  29          HA3       GLY  29  -8.348  -0.377  -2.842
  189   2HA   GLY  29          HA2       GLY  29  -7.927  -1.962  -3.525
  190    H    ARG  30           H        ARG  30  -9.171  -1.168  -0.342
  191    HA   ARG  30           HA       ARG  30 -10.836  -2.085   0.984
  192   1HB   ARG  30          HB2       ARG  30 -12.490  -1.121  -0.103
  193   2HB   ARG  30          HB1       ARG  30 -12.148  -1.783  -1.556
  194   1HG   ARG  30          HG2       ARG  30 -13.548  -3.175   0.517
  195   2HG   ARG  30          HG1       ARG  30 -14.297  -2.375  -0.694
  196   1HD   ARG  30          HD2       ARG  30 -13.307  -4.967  -0.691
  197   2HD   ARG  30          HD1       ARG  30 -14.387  -4.292  -1.713
  198    HE   ARG  30           HE       ARG  30 -11.871  -3.370  -2.457
  199   1HH1  ARG  30          2HH1      ARG  30 -13.571  -6.442  -2.552
  200   2HH1  ARG  30          1HH1      ARG  30 -12.461  -7.080  -3.718
  201   1HH2  ARG  30          2HH2      ARG  30 -10.523  -4.209  -3.866
  202   2HH2  ARG  30          1HH2      ARG  30 -10.743  -5.821  -4.458
  203   1HN   NH2  31          1HN       NH2  31  -9.661  -5.603  -0.284
  204   2HN   NH2  31          2HN       NH2  31  -9.050  -4.143  -1.033
  205    H1   NAG  32           H1       NAG  32  -7.258  12.772  -3.223
  206    H2   NAG  32           H2       NAG  32  -5.034  11.339  -4.707
  207    H3   NAG  32           H3       NAG  32  -5.645  11.074  -1.745
  208    H4   NAG  32           H4       NAG  32  -3.288  12.547  -2.990
  209    H5   NAG  32           H5       NAG  32  -5.806  13.762  -1.759
  210   1H6   NAG  32          1H6       NAG  32  -4.737  15.889  -2.765
  211   2H6   NAG  32          2H6       NAG  32  -3.204  15.009  -2.702
  212   1H8   NAG  32          1H8       NAG  32  -7.875   7.208  -4.169
  213   2H8   NAG  32          2H8       NAG  32  -8.873   8.592  -3.654
  214   3H8   NAG  32          3H8       NAG  32  -8.239   8.505  -5.323
  215    HN2  NAG  32           HN2      NAG  32  -7.622  10.617  -4.579
  216    HO1  NAG  32           HO1      NAG  32  -6.719  13.789  -5.438
  217    HO3  NAG  32           HO3      NAG  32  -4.623   9.391  -2.730
  218    HO6  NAG  32           HO6      NAG  32  -3.314  15.038  -0.515
  219    H1   NAG  33           H1       NAG  33  -2.234  11.082  -1.431
  220    H2   NAG  33           H2       NAG  33  -2.250  12.522   1.213
  221    H3   NAG  33           H3       NAG  33  -0.426  10.203   0.496
  222    H4   NAG  33           H4       NAG  33  -2.828  10.253   2.385
  223    H5   NAG  33           H5       NAG  33  -2.320   8.980  -0.337
  224   1H6   NAG  33          1H6       NAG  33  -4.959   8.517   0.240
  225   2H6   NAG  33          2H6       NAG  33  -4.231   8.205   1.817
  226   1H8   NAG  33          1H8       NAG  33   0.337  15.794  -0.835
  227   2H8   NAG  33          2H8       NAG  33   1.373  14.436  -0.331
  228   3H8   NAG  33          3H8       NAG  33   0.587  14.426  -1.946
  229    HN2  NAG  33           HN2      NAG  33   0.213  12.318  -0.442
  230    HO3  NAG  33           HO3      NAG  33  -0.050  10.495   2.767
  231    HO6  NAG  33           HO6      NAG  33  -2.861   6.678   0.738
  232    H1   NAG  34           H1       NAG  34  -2.265   9.057   4.176
  233    H2   NAG  34           H2       NAG  34  -0.440   6.638   3.815
  234    H3   NAG  34           H3       NAG  34  -1.940   7.855   6.185
  235    H4   NAG  34           H4       NAG  34   1.022   7.504   5.521
  236    H5   NAG  34           H5       NAG  34  -0.734   9.966   5.856
  237   1H6   NAG  34          1H6       NAG  34   1.270  11.207   5.226
  238   2H6   NAG  34          2H6       NAG  34   2.187   9.706   5.005
  239   1H8   NAG  34          1H8       NAG  34  -4.009   4.121   2.200
  240   2H8   NAG  34          2H8       NAG  34  -4.451   4.693   3.826
  241   3H8   NAG  34          3H8       NAG  34  -4.828   5.709   2.414
  242    HN2  NAG  34           HN2      NAG  34  -3.234   6.264   4.735
  243    HO4  NAG  34           HO4      NAG  34   1.028   8.753   7.611
  244    HO3  NAG  34           HO3      NAG  34  -0.483   6.374   7.201
  245    HO6  NAG  34           HO6      NAG  34   2.509  10.833   7.043