*HEADER    ANTITOXIN                               11-MAY-18   6GIG              
*TITLE     STRUCTURAL INSIGHTS INTO AAPA1 TOXIN                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AAPA1;                                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI;                            
*SOURCE   4 ORGANISM_TAXID: 210                                                  
*KEYWDS    TOXIN PEPTIDE FROM HELICOBACTER PYLORI, ANTITOXIN                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    G.F.SALGADO,D.N.KORKUT                                                
*REVDAT   1   11-SEP-19 6GIG    0                                                
# Restraints file 1: A1unambig
 17 ILE  H      16 LYS+ HB3     4.19
 17 ILE  H      16 LYS+ HB2     4.26
 17 ILE  H      14 TYR  HA      4.01
 17 ILE  H      16 LYS+ HA      4.56
  8 ASN  H       7 LYS+ HA      3.34
  8 ASN  H       9 SER  H       5.21
 17 ILE  H      18 SER  H       4.52
 17 ILE  H      16 LYS+ H       4.53
  5 HIS+ H       4 LYS+ HA      3.27
  5 HIS+ H       4 LYS+ HB2     4.68
  5 HIS+ H       4 LYS+ HB3     5.09
  6 GLY  H       5 HIS+ HB2     5.19
  7 LYS+ H       6 GLY  HA2     3.69
  7 LYS+ H       6 GLY  HA3     3.58
 21 GLY  H      20 LEU  H       4.77
 21 GLY  H      20 LEU  HG      4.65
  4 LYS+ H       3 THR  HA      3.23
  4 LYS+ H       3 THR  HB      4.26
  4 LYS+ H       3 THR  QG2     5.11
  9 SER  H      10 TRP  H       5.18
 20 LEU  H      19 PHE  HA      4.33
 20 LEU  H      19 PHE  QD      5.09
 20 LEU  H      16 LYS+ HA      5.23
 20 LEU  H      17 ILE  HA      4.38
 14 TYR  H      10 TRP  HA      5.10
 14 TYR  H      11 LYS+ HA      4.33
 14 TYR  H      13 LEU  HG      3.83
 14 TYR  H      13 LEU  QQD     4.08
 15 LEU  H      14 TYR  QD      4.61
 15 LEU  H      16 LYS+ H       4.52
 15 LEU  H      11 LYS+ HA      4.57
 15 LEU  H      14 TYR  HB3     3.97
 15 LEU  H      14 TYR  HB2     4.11
 14 TYR  H      13 LEU  H       4.73
 19 PHE  H      16 LYS+ HA      4.73
 15 LEU  H      14 TYR  HA      3.75
 18 SER  H      15 LEU  HA      4.11
 18 SER  H      17 ILE  HA      4.61
 18 SER  H      17 ILE  HB      3.86
 18 SER  H      17 ILE  QG2     3.94
  3 THR  H       2 ALA  HA      3.34
  3 THR  H       2 ALA  QB      4.47
 10 TRP  H       9 SER  HA      3.87
 10 TRP  H      11 LYS+ H       5.14
 10 TRP  H       9 SER  HB2     4.47
 10 TRP  H       9 SER  HB3     4.82
 28 LEU  H      27 LEU  HA      4.37
 28 LEU  H      27 LEU  H       4.13
 28 LEU  H      25 VAL  HA      4.62
 22 CYS  H      19 PHE  HA      5.28
 16 LYS+ H      13 LEU  HA      4.22
 16 LYS+ H      15 LEU  HA      4.18
 22 CYS  H      21 GLY  HA3     4.05
 22 CYS  H      21 GLY  HA2     4.30
 29 LYS+ H      26 VAL  HA      4.86
 29 LYS+ H      25 VAL  HA      5.33
 23 LYS+ H      22 CYS  HA      4.22
 23 LYS+ H      22 CYS  HB2     5.21
 23 LYS+ H      24 VAL  QG1     4.78
 23 LYS+ H      24 VAL  QG1     6.00
 23 LYS+ H      22 CYS  HB3     5.25
 24 VAL  H      25 VAL  H       4.21
 24 VAL  H      22 CYS  HA      5.08
 24 VAL  H      23 LYS+ HA      4.17
 27 LEU  H      26 VAL  H       4.12
 11 LYS+ H      10 TRP  HA      4.59
 11 LYS+ H      10 TRP  HB2     4.91
 11 LYS+ H      10 TRP  HB3     4.85
 12 THR  H       9 SER  HA      4.98
 12 THR  H      13 LEU  QQD     4.77
 25 VAL  H      24 VAL  HA      4.28
 13 LEU  H      10 TRP  HA      5.01
 13 LEU  H      12 THR  HA      4.20
 13 LEU  H      12 THR  HB      4.69
 13 LEU  H      12 THR  QG2     5.00
 26 VAL  H      23 LYS+ HA      4.81
 26 VAL  H      25 VAL  HA      4.53
 10 TRP  HE3    14 TYR  HB3     4.24
 10 TRP  HE3    14 TYR  HB2     4.00
 10 TRP  HD1     9 SER  HA      5.27
 10 TRP  HD1    11 LYS+ HG3     5.23
 19 PHE  QD     16 LYS+ HA      4.48
 19 PHE  QD     22 CYS  HB2     4.94
 14 TYR  QD     15 LEU  HA      4.07
 14 TYR  QD     11 LYS+ HA      3.85
 14 TYR  QD     17 ILE  HB      4.20
 14 TYR  QD     17 ILE  QG2     3.22
 14 TYR  QD     17 ILE  QD1     4.38
 14 TYR  QE     15 LEU  HA      5.19
 14 TYR  QE     18 SER  HB2     5.26
 14 TYR  QE     17 ILE  HB      5.34
 14 TYR  QE     15 LEU  HB2     6.00
 14 TYR  QE     17 ILE  QG2     3.65
 14 TYR  QE     17 ILE  QD1     5.55
 10 TRP  HZ3    14 TYR  HB3     5.42
 10 TRP  HZ3    14 TYR  HB2     4.97
 14 TYR  HB2    11 LYS+ HA      3.79
 10 TRP  HZ3    13 LEU  QQD     6.00
 28 LEU  H      24 VAL  HA      4.80
 11 LYS+ H      10 TRP  HD1     5.09
 13 LEU  HG     10 TRP  HA      3.85
 22 CYS  HB3    19 PHE  HA      4.69
 22 CYS  HB2    19 PHE  HA      4.94
 27 LEU  HB3    24 VAL  HA      3.53
 27 LEU  HB2    24 VAL  HA      4.49
 27 LEU  HG     24 VAL  HA      4.07
  5 HIS+ HB3     4 LYS+ HA      5.31
  5 HIS+ HB2     4 LYS+ HA      4.50
 16 LYS+ HB3    13 LEU  HA      3.70
 23 LYS+ H      24 VAL  HA      5.41
 18 SER  H      17 ILE  QD1     5.50
 29 LYS+ H      28 LEU  QQD     4.85
 21 GLY  H      22 CYS  H       5.19
 28 LEU  H      29 LYS+ H       5.68
 22 CYS  H      25 VAL  QG1     5.39
 29 LYS+ H      28 LEU  HG      4.23
 28 LEU  HG     25 VAL  HA      4.29
 28 LEU  H      27 LEU  HB3     3.86
 16 LYS+ H      15 LEU  HB3     3.85
  8 ASN  H       7 LYS+ HB3     5.06
 28 LEU  H      25 VAL  QG1     5.34
  2 ALA  H       1 MET  HA      3.53
 21 GLY  H      20 LEU  QQD     4.55
 10 TRP  HE3    13 LEU  QQD     3.80
 19 PHE  QD     20 LEU  HA      4.33
 25 VAL  H      22 CYS  HA      4.76
 14 TYR  HB3    11 LYS+ HA      3.60
 19 PHE  H      18 SER  HB3     4.44
 24 VAL  H      23 LYS+ QB      3.60
 16 LYS+ HB2    13 LEU  HA      3.67
 12 THR  QG2     9 SER  HA      4.47
 16 LYS+ H      15 LEU  QQD     4.22
 28 LEU  H      24 VAL  QG1     4.61
 16 LYS+ H      15 LEU  HG      4.49
 14 TYR  QE     11 LYS+ HA      6.00
 10 TRP  HE3    11 LYS+ HA      3.69
 10 TRP  HE3    14 TYR  HA      5.03
 19 PHE  H      18 SER  HB2     4.63
 10 TRP  HD1    13 LEU  QQD     4.92
 26 VAL  HB     23 LYS+ HA      3.68
 25 VAL  QG1    22 CYS  HA      3.47
 25 VAL  H      23 LYS+ HA      5.27
 17 ILE  QD1    14 TYR  HA      3.34
 11 LYS+ HB3    12 THR  HB      4.70
 11 LYS+ HB2    12 THR  HB      5.14
 28 LEU  QQD    25 VAL  HA      4.26
 10 TRP  HD1     7 LYS+ HA      4.31
 10 TRP  HE3    11 LYS+ HB3     6.00
 10 TRP  HE3    11 LYS+ HG2     5.28
 10 TRP  HE3    11 LYS+ HG3     5.19
 11 LYS+ H      13 LEU  QQD     5.12
 16 LYS+ H      15 LEU  HB2     4.71
 12 THR  H      11 LYS+ HG3     4.89
 29 LYS+ H      27 LEU  HA      5.34
 10 TRP  HZ3    11 LYS+ HA      4.81
 20 LEU  H      21 GLY  HA3     5.04
 20 LEU  H      21 GLY  HA2     5.06
 24 VAL  QG1    23 LYS+ HA      6.00
 17 ILE  QG2    14 TYR  HA      2.44
 25 VAL  QG1    22 CYS  HA      3.68
 29 LYS+ QD     26 VAL  HA      5.01
 24 VAL  QG1    21 GLY  HA2     3.95
 24 VAL  QG1    21 GLY  HA3     4.51
 23 LYS+ H      24 VAL  HB      5.03
 10 TRP  HE3    13 LEU  HG      4.79
 29 LYS+ H      26 VAL  QG1     5.31
 12 THR  QG2    13 LEU  HA      4.20
 25 VAL  H      26 VAL  H       4.66
 20 LEU  H      19 PHE  H       4.51
 23 LYS+ H      20 LEU  QQD     5.07
 24 VAL  H      25 VAL  QG1     3.51
 26 VAL  H      22 CYS  HA      5.54
 21 GLY  H      20 LEU  HA      3.97
 24 VAL  H      21 GLY  HA3     5.60
 14 TYR  QD     10 TRP  HB2     5.34
 14 TYR  QD     10 TRP  HB3     5.83
  6 GLY  H       5 HIS+ HB3     5.38
  8 ASN  H       7 LYS+ H       5.64
 10 TRP  HE3    11 LYS+ HB2     5.19
 27 LEU  H      26 VAL  HA      3.51
 10 TRP  HD1    11 LYS+ HA      6.00
 28 LEU  H      27 LEU  QD1     4.09
  6 GLY  H       7 LYS+ HB2     5.70
  6 GLY  H       7 LYS+ HB3     5.72
 16 LYS+ HB2    15 LEU  HA      6.00
 16 LYS+ HB2    17 ILE  HA      5.25
 27 LEU  QD1    24 VAL  HA      3.60
 27 LEU  QD1    24 VAL  HA      4.15
 26 VAL  QG1    23 LYS+ HA      3.59
 26 VAL  QG1    23 LYS+ HA      3.68
 26 VAL  QG1    27 LEU  HA      4.90
 26 VAL  QG1    27 LEU  HA      3.72
 13 LEU  HG     14 TYR  HA      3.04
 28 LEU  H      25 VAL  HB      5.73
 11 LYS+ H      14 TYR  HB3     5.50
 14 TYR  QD     18 SER  HB2     5.45
 24 VAL  H      25 VAL  QG1     3.80
 23 LYS+ H      25 VAL  QG1     4.89
 20 LEU  QQD    24 VAL  HA      6.00
 14 TYR  QD     15 LEU  HG      4.79
 19 PHE  QD     15 LEU  HG      5.18
 19 PHE  QD     23 LYS+ HG3     5.39
 17 ILE  QG2    18 SER  HA      6.00
 17 ILE  QD1    18 SER  HA      6.00
 19 PHE  QD     15 LEU  HA      5.44
 10 TRP  HH2    11 LYS+ HA      5.85
 14 TYR  HB2    17 ILE  QG2     5.26
 14 TYR  HB3    17 ILE  QG2     5.05
 14 TYR  HB3    11 LYS+ HG3     5.09
 22 CYS  HB2    23 LYS+ HG3     4.73
 22 CYS  HB2    23 LYS+ HG2     4.71
 14 TYR  HB3    13 LEU  HG      4.76
 14 TYR  HB3    17 ILE  HB      4.81
 14 TYR  HB2    17 ILE  HB      4.77
 14 TYR  HB2    13 LEU  HG      5.32
 10 TRP  HB3    13 LEU  HG      5.93
 14 TYR  HB2    17 ILE  QD1     5.73
 10 TRP  HZ2    11 LYS+ HG3     5.35
  8 ASN  H       7 LYS+ QG      5.38
 15 LEU  H      16 LYS+ HB3     5.81
 26 VAL  H      27 LEU  HB3     5.60
 10 TRP  HD1     7 LYS+ HB2     5.49
 10 TRP  HD1     7 LYS+ HB3     5.40
 12 THR  H      13 LEU  HG      5.54
 10 TRP  HD1     7 LYS+ QG      5.43
 14 TYR  QD     11 LYS+ HG3     5.60
 10 TRP  HZ3    11 LYS+ HG3     5.75
# Restraints file 2: A1dihedral
  9 SER   PHI     -82.9   -42.9
  9 SER   PSI     -60.7   -20.7
 10 TRP   PHI     -99.5   -37.9
 11 LYS+  PHI     -84.6   -41.6
 10 TRP   PSI     -70.2    -2.0
 12 THR   PHI     -95.4   -48.0
 11 LYS+  PSI     -63.7   -10.5
 12 THR   PSI     -67.6     4.0
 13 LEU   PHI    -102.4   -42.4
 13 LEU   PSI     -67.2     1.8
 14 TYR   PHI     -86.5   -44.1
 15 LEU   PHI     -86.6   -46.6
 14 TYR   PSI     -60.5   -20.5
 16 LYS+  PHI     -84.7   -44.7
 15 LEU   PSI     -61.5   -21.5
 16 LYS+  PSI     -61.0   -21.0
 17 ILE   PHI     -87.0   -47.0
 18 SER   PHI     -83.9   -43.9
 17 ILE   PSI     -56.6   -16.6
 18 SER   PSI     -62.1   -22.1
 19 PHE   PHI     -85.4   -45.4
 19 PHE   PSI     -63.4   -23.4
 20 LEU   PHI     -83.2   -43.2
 21 GLY   PHI     -84.0   -44.0
 20 LEU   PSI     -62.8   -22.8
 21 GLY   PSI     -58.6   -10.6
 22 CYS   PHI     -86.5   -46.3
 23 LYS+  PHI     -84.5   -44.5
 22 CYS   PSI     -68.7   -10.1
 23 LYS+  PSI     -65.0   -11.8
 24 VAL   PHI     -86.2   -46.2
 24 VAL   PSI     -67.4   -15.4
 25 VAL   PHI     -84.5   -43.9
 25 VAL   PSI     -61.0   -20.0
 26 VAL   PHI    -105.2   -37.2
 26 VAL   PSI     -57.0   -17.0
 27 LEU   PHI    -108.8   -34.6
 27 LEU   PSI     -63.0    -4.2
 28 LEU   PHI    -110.8   -36.8
 28 LEU   PSI     -63.4    -0.2
 29 LYS+  PSI     -61.3   -10.9
 29 LYS+  PHI     -85.2   -41.6
# Restraints file 3: A1ambig
 17 ILE  H      16 LYS+ QD      6.00
  9 SER  H       8 ASN  QB      4.36
 20 LEU  H      19 PHE  QB      3.67
 14 TYR  H      13 LEU  QB      3.95
 18 SER  H      16 LYS+ QD      4.85
 10 TRP  HD1     8 ASN  QB      5.49
 10 TRP  HH2    11 LYS+ QE      5.17
 10 TRP  HZ2    11 LYS+ QE      4.07
 13 LEU  QB     10 TRP  HA      3.74
 19 PHE  QB     16 LYS+ HA      3.46
 16 LYS+ H      19 PHE  QB      5.36
  8 ASN  QB      9 SER  HA      5.47
  8 ASN  QB      7 LYS+ HA      5.03
  8 ASN  QB      8 ASN  HA      4.71
 19 PHE  QB     20 LEU  HA      5.00
 26 VAL  HB     26 VAL  HA      3.01
 24 VAL  HB     24 VAL  HA      0.00
 25 VAL  HB     22 CYS  HA      6.00
 26 VAL  HB     22 CYS  HA      0.00
 13 LEU  QB     12 THR  HB      4.41
 14 TYR  QD     13 LEU  QB      6.00
 16 LYS+ QD     17 ILE  HA      6.00
 17 ILE  QG1    14 TYR  HA      4.15
  2 ALA  H       1 MET  QB      5.22
 19 PHE  QD     20 LEU  QB      4.01
 19 PHE  H      16 LYS+ QD      4.90
 16 LYS+ HD3    19 PHE  QB      4.46
 16 LYS+ HD2    19 PHE  HB2     0.00
 10 TRP  HE3    13 LEU  QB      6.00
 23 LYS+ QB     22 CYS  HA      6.00
 19 PHE  QD     16 LYS+ QD      4.66
 16 LYS+ QE     17 ILE  QG2     6.00
 19 PHE  QB     20 LEU  QQD     6.00
  8 ASN  QB     11 LYS+ HB3     4.55
  8 ASN  QB     11 LYS+ HB2     5.43
 19 PHE  QB     20 LEU  QB      4.68
 19 PHE  QB     16 LYS+ HB2     5.63
  8 ASN  QB     11 LYS+ HG2     5.56
  8 ASN  QB      7 LYS+ HB2     5.73
  8 ASN  QB      7 LYS+ QG      5.69
 10 TRP  HB3    13 LEU  QB      5.97
 19 PHE  QB     16 LYS+ QG      5.80
 14 TYR  QD     17 ILE  QG1     5.66
 10 TRP  H      13 LEU  QB      5.65
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1          1H        MET   1 -14.317   7.289  -5.587
    2    H2   MET   1          2H        MET   1 -14.312   8.759  -4.753
    3    H3   MET   1          3H        MET   1 -14.985   8.670  -6.299
    4    HA   MET   1           HA       MET   1 -16.668   8.755  -4.554
    5    HB2  MET   1          2HB       MET   1 -18.016   6.896  -5.388
    6    HB3  MET   1          1HB       MET   1 -17.155   7.671  -6.711
    7    HG2  MET   1          2HG       MET   1 -15.503   5.889  -6.696
    8    HG3  MET   1          1HG       MET   1 -16.334   5.117  -5.346
    9    HE1  MET   1          1HE       MET   1 -15.596   3.605  -8.074
   10    HE2  MET   1          2HE       MET   1 -17.079   2.686  -8.319
   11    HE3  MET   1          3HE       MET   1 -16.400   2.848  -6.699
   12    H    ALA   2           H        ALA   2 -14.142   7.663  -3.270
   13    HA   ALA   2           HA       ALA   2 -15.199   5.399  -1.778
   14    HB1  ALA   2          1HB       ALA   2 -12.949   5.172  -0.873
   15    HB2  ALA   2          2HB       ALA   2 -12.468   6.667  -1.678
   16    HB3  ALA   2          3HB       ALA   2 -12.914   5.254  -2.634
   17    H    THR   3           H        THR   3 -15.013   8.727  -1.513
   18    HA   THR   3           HA       THR   3 -14.684   8.890   1.333
   19    HB   THR   3           HB       THR   3 -15.374  11.314   0.961
   20    HG1  THR   3           HG1      THR   3 -16.443  11.305  -0.947
   21   HG21  THR   3          1HG2      THR   3 -13.231  11.902  -0.094
   22   HG22  THR   3          2HG2      THR   3 -13.019  10.220  -0.581
   23   HG23  THR   3          3HG2      THR   3 -13.036  10.647   1.130
   24    H    LYS   4           H        LYS   4 -16.388   7.415   1.910
   25    HA   LYS   4           HA       LYS   4 -18.964   8.831   2.145
   26    HB2  LYS   4          2HB       LYS   4 -18.543   5.858   1.775
   27    HB3  LYS   4          1HB       LYS   4 -20.085   6.610   2.146
   28    HG2  LYS   4          2HG       LYS   4 -20.043   7.787   0.041
   29    HG3  LYS   4          1HG       LYS   4 -18.452   7.125  -0.327
   30    HD2  LYS   4          2HD       LYS   4 -20.127   5.867  -1.515
   31    HD3  LYS   4          1HD       LYS   4 -19.432   4.851  -0.254
   32    HE2  LYS   4          2HE       LYS   4 -21.839   4.565  -0.336
   33    HE3  LYS   4          1HE       LYS   4 -21.373   5.333   1.179
   34    HZ1  LYS   4          1HZ       LYS   4 -22.052   7.454   0.302
   35    HZ2  LYS   4          2HZ       LYS   4 -23.330   6.359   0.152
   36    HZ3  LYS   4          3HZ       LYS   4 -22.409   6.770  -1.201
   37    H    HIS   5           H        HIS   5 -16.590   8.735   3.849
   38    HA   HIS   5           HA       HIS   5 -15.950   8.460   6.003
   39    HB2  HIS   5          2HB       HIS   5 -18.127   9.566   6.458
   40    HB3  HIS   5          1HB       HIS   5 -18.900   7.988   6.511
   41    HD1  HIS   5           HD1      HIS   5 -19.355   7.330   8.837
   42    HD2  HIS   5           HD2      HIS   5 -15.809   9.472   8.520
   43    HE1  HIS   5           HE1      HIS   5 -18.426   7.446  11.169
   44    HE2  HIS   5           HE2      HIS   5 -16.369   8.888  10.975
   45    H    GLY   6           H        GLY   6 -15.437   6.368   4.473
   46    HA2  GLY   6          2HA       GLY   6 -14.871   4.153   4.523
   47    HA3  GLY   6          1HA       GLY   6 -15.046   4.269   6.267
   48    H    LYS   7           H        LYS   7 -17.492   4.610   3.717
   49    HA   LYS   7           HA       LYS   7 -18.939   2.383   4.975
   50    HB2  LYS   7          2HB       LYS   7 -19.957   4.673   5.206
   51    HB3  LYS   7          1HB       LYS   7 -20.143   4.700   3.461
   52    HG2  LYS   7          2HG       LYS   7 -22.221   4.077   4.338
   53    HG3  LYS   7          1HG       LYS   7 -21.507   2.605   3.679
   54    HD2  LYS   7          2HD       LYS   7 -20.814   1.923   5.905
   55    HD3  LYS   7          1HD       LYS   7 -21.457   3.420   6.584
   56    HE2  LYS   7          2HE       LYS   7 -23.096   1.778   6.990
   57    HE3  LYS   7          1HE       LYS   7 -23.689   2.733   5.634
   58    HZ1  LYS   7          1HZ       LYS   7 -24.034   0.418   5.197
   59    HZ2  LYS   7          2HZ       LYS   7 -22.408   0.063   5.482
   60    HZ3  LYS   7          3HZ       LYS   7 -22.845   0.991   4.135
   61    H    ASN   8           H        ASN   8 -18.511   0.674   3.730
   62    HA   ASN   8           HA       ASN   8 -18.801  -0.807   2.048
   63    HB2  ASN   8          2HB       ASN   8 -20.404   1.419   0.791
   64    HB3  ASN   8          1HB       ASN   8 -20.269  -0.200   0.114
   65   HD21  ASN   8          1HD2      ASN   8 -22.533  -1.657   2.316
   66   HD22  ASN   8          2HD2      ASN   8 -21.331  -1.893   1.095
   67    H    SER   9           H        SER   9 -18.386   2.315   0.358
   68    HA   SER   9           HA       SER   9 -16.957   1.125  -1.783
   69    HB2  SER   9          2HB       SER   9 -17.154   4.041  -1.023
   70    HB3  SER   9          1HB       SER   9 -16.662   3.405  -2.593
   71    HG   SER   9           HG       SER   9 -19.007   2.315  -1.935
   72    H    TRP  10           H        TRP  10 -15.886   1.664   1.271
   73    HA   TRP  10           HA       TRP  10 -13.323   2.767   0.731
   74    HB2  TRP  10          2HB       TRP  10 -12.695   1.911   2.958
   75    HB3  TRP  10          1HB       TRP  10 -14.127   2.871   3.005
   76    HD1  TRP  10           HD1      TRP  10 -16.479   1.510   3.417
   77    HE1  TRP  10           HE1      TRP  10 -16.830  -0.763   4.629
   78    HE3  TRP  10           HE3      TRP  10 -11.773  -0.134   3.143
   79    HZ2  TRP  10           HZ2      TRP  10 -15.174  -2.979   5.358
   80    HZ3  TRP  10           HZ3      TRP  10 -11.175  -2.269   4.101
   81    HH2  TRP  10           HH2      TRP  10 -12.831  -3.700   5.179
   82    H    LYS  11           H        LYS  11 -14.603  -0.518   0.669
   83    HA   LYS  11           HA       LYS  11 -12.154  -1.860   1.016
   84    HB2  LYS  11          2HB       LYS  11 -14.744  -2.556  -0.282
   85    HB3  LYS  11          1HB       LYS  11 -13.349  -3.581  -0.508
   86    HG2  LYS  11          2HG       LYS  11 -13.142  -3.851   1.915
   87    HG3  LYS  11          1HG       LYS  11 -14.561  -2.825   2.132
   88    HD2  LYS  11          2HD       LYS  11 -14.555  -5.409   0.581
   89    HD3  LYS  11          1HD       LYS  11 -15.028  -5.271   2.276
   90    HE2  LYS  11          2HE       LYS  11 -16.826  -3.766   1.685
   91    HE3  LYS  11          1HE       LYS  11 -16.321  -3.775  -0.003
   92    HZ1  LYS  11          1HZ       LYS  11 -17.340  -6.101   1.529
   93    HZ2  LYS  11          2HZ       LYS  11 -16.806  -6.153  -0.075
   94    HZ3  LYS  11          3HZ       LYS  11 -18.178  -5.251   0.331
   95    H    THR  12           H        THR  12 -13.681  -0.476  -1.756
   96    HA   THR  12           HA       THR  12 -11.915  -1.272  -3.778
   97    HB   THR  12           HB       THR  12 -14.008   0.718  -3.300
   98    HG1  THR  12           HG1      THR  12 -13.335  -1.117  -5.347
   99   HG21  THR  12          1HG2      THR  12 -12.062   1.190  -5.561
  100   HG22  THR  12          2HG2      THR  12 -12.299   2.236  -4.161
  101   HG23  THR  12          3HG2      THR  12 -13.604   2.019  -5.328
  102    H    LEU  13           H        LEU  13 -11.821   1.279  -1.401
  103    HA   LEU  13           HA       LEU  13  -9.378   2.513  -2.324
  104    HB2  LEU  13          2HB       LEU  13 -10.347   4.120  -1.063
  105    HB3  LEU  13          1HB       LEU  13 -11.446   2.963  -0.337
  106    HG   LEU  13           HG       LEU  13  -8.810   2.731   0.820
  107   HD11  LEU  13          1HD1      LEU  13  -8.781   4.883   1.984
  108   HD12  LEU  13          2HD1      LEU  13 -10.152   5.422   1.014
  109   HD13  LEU  13          3HD1      LEU  13  -8.602   5.087   0.241
  110   HD21  LEU  13          1HD2      LEU  13 -11.485   3.488   2.015
  111   HD22  LEU  13          2HD2      LEU  13 -10.061   2.950   2.907
  112   HD23  LEU  13          3HD2      LEU  13 -10.889   1.838   1.813
  113    H    TYR  14           H        TYR  14 -10.318  -0.074  -0.295
  114    HA   TYR  14           HA       TYR  14  -8.219   0.132   1.597
  115    HB2  TYR  14          2HB       TYR  14 -10.454  -0.784   2.088
  116    HB3  TYR  14          1HB       TYR  14 -10.088  -2.171   1.073
  117    HD1  TYR  14           HD1      TYR  14  -8.562  -3.851   1.776
  118    HD2  TYR  14           HD2      TYR  14  -9.354  -0.463   4.213
  119    HE1  TYR  14           HE1      TYR  14  -7.404  -4.949   3.613
  120    HE2  TYR  14           HE2      TYR  14  -8.182  -1.546   6.091
  121    HH   TYR  14           HH       TYR  14  -6.217  -4.256   5.730
  122    H    LEU  15           H        LEU  15  -8.829  -2.021  -1.140
  123    HA   LEU  15           HA       LEU  15  -6.544  -3.623  -0.553
  124    HB2  LEU  15          2HB       LEU  15  -8.033  -3.477  -3.168
  125    HB3  LEU  15          1HB       LEU  15  -7.026  -4.780  -2.565
  126    HG   LEU  15           HG       LEU  15  -9.570  -3.949  -1.212
  127   HD11  LEU  15          1HD1      LEU  15 -10.106  -4.696  -3.461
  128   HD12  LEU  15          2HD1      LEU  15 -10.597  -5.908  -2.278
  129   HD13  LEU  15          3HD1      LEU  15  -9.130  -6.146  -3.230
  130   HD21  LEU  15          1HD2      LEU  15  -7.887  -6.442  -1.020
  131   HD22  LEU  15          2HD2      LEU  15  -9.380  -6.126  -0.137
  132   HD23  LEU  15          3HD2      LEU  15  -7.949  -5.143   0.171
  133    H    LYS  16           H        LYS  16  -7.147  -0.672  -2.035
  134    HA   LYS  16           HA       LYS  16  -4.712  -0.445  -3.515
  135    HB2  LYS  16          2HB       LYS  16  -6.618   0.908  -4.154
  136    HB3  LYS  16          1HB       LYS  16  -6.809   1.495  -2.518
  137    HG2  LYS  16          2HG       LYS  16  -4.325   2.109  -4.052
  138    HG3  LYS  16          1HG       LYS  16  -5.801   3.044  -4.303
  139    HD2  LYS  16          2HD       LYS  16  -5.882   3.444  -1.846
  140    HD3  LYS  16          1HD       LYS  16  -4.315   2.645  -1.714
  141    HE2  LYS  16          2HE       LYS  16  -3.336   4.325  -3.210
  142    HE3  LYS  16          1HE       LYS  16  -4.899   5.123  -3.341
  143    HZ1  LYS  16          1HZ       LYS  16  -3.372   4.791  -0.816
  144    HZ2  LYS  16          2HZ       LYS  16  -4.826   5.632  -1.002
  145    HZ3  LYS  16          3HZ       LYS  16  -3.419   6.205  -1.740
  146    H    ILE  17           H        ILE  17  -5.966   0.371  -0.342
  147    HA   ILE  17           HA       ILE  17  -3.726   1.661   0.709
  148    HB   ILE  17           HB       ILE  17  -6.160   0.359   1.804
  149   HG12  ILE  17          2HG1      ILE  17  -4.920   3.090   2.169
  150   HG13  ILE  17          1HG1      ILE  17  -6.197   2.683   1.026
  151   HG21  ILE  17          1HG2      ILE  17  -5.523   0.646   4.097
  152   HG22  ILE  17          2HG2      ILE  17  -3.938   1.259   3.617
  153   HG23  ILE  17          3HG2      ILE  17  -4.368  -0.419   3.296
  154   HD11  ILE  17          1HD1      ILE  17  -6.403   2.550   4.028
  155   HD12  ILE  17          2HD1      ILE  17  -7.686   2.154   2.884
  156   HD13  ILE  17          3HD1      ILE  17  -7.078   3.805   2.991
  157    H    SER  18           H        SER  18  -4.718  -1.721   0.689
  158    HA   SER  18           HA       SER  18  -2.577  -2.732   2.225
  159    HB2  SER  18          2HB       SER  18  -4.763  -3.911   1.579
  160    HB3  SER  18          1HB       SER  18  -3.994  -4.237   0.020
  161    HG   SER  18           HG       SER  18  -2.748  -4.917   2.466
  162    H    PHE  19           H        PHE  19  -2.951  -1.955  -1.163
  163    HA   PHE  19           HA       PHE  19  -0.603  -3.333  -2.023
  164    HB2  PHE  19          2HB       PHE  19  -2.576  -2.821  -3.486
  165    HB3  PHE  19          1HB       PHE  19  -2.081  -1.129  -3.465
  166    HD1  PHE  19           HD1      PHE  19  -0.341  -0.354  -4.858
  167    HD2  PHE  19           HD2      PHE  19  -1.065  -4.524  -4.451
  168    HE1  PHE  19           HE1      PHE  19   1.187  -0.794  -6.740
  169    HE2  PHE  19           HE2      PHE  19   0.461  -4.979  -6.334
  170    HZ   PHE  19           HZ       PHE  19   1.590  -3.111  -7.480
  171    H    LEU  20           H        LEU  20  -1.401   0.142  -1.822
  172    HA   LEU  20           HA       LEU  20   1.271   0.923  -2.348
  173    HB2  LEU  20          2HB       LEU  20  -1.179   2.370  -1.466
  174    HB3  LEU  20          1HB       LEU  20   0.373   3.180  -1.386
  175    HG   LEU  20           HG       LEU  20   0.616   2.543  -3.862
  176   HD11  LEU  20          1HD1      LEU  20  -1.258   0.932  -3.841
  177   HD12  LEU  20          2HD1      LEU  20  -1.399   2.165  -5.094
  178   HD13  LEU  20          3HD1      LEU  20  -2.369   2.282  -3.627
  179   HD21  LEU  20          1HD2      LEU  20  -1.410   4.562  -2.924
  180   HD22  LEU  20          2HD2      LEU  20  -0.736   4.507  -4.552
  181   HD23  LEU  20          3HD2      LEU  20   0.317   4.816  -3.172
  182    H    GLY  21           H        GLY  21  -0.440   0.154   0.591
  183    HA2  GLY  21          2HA       GLY  21   1.350   1.291   2.437
  184    HA3  GLY  21          1HA       GLY  21   0.401  -0.166   2.715
  185    H    CYS  22           H        CYS  22   1.439  -1.724   0.654
  186    HA   CYS  22           HA       CYS  22   3.886  -2.647   1.784
  187    HB2  CYS  22          2HB       CYS  22   2.230  -4.200   0.845
  188    HB3  CYS  22          1HB       CYS  22   2.432  -3.474  -0.746
  189    HG   CYS  22           HG       CYS  22   5.270  -4.217  -0.689
  190    H    LYS  23           H        LYS  23   2.989  -0.609  -0.922
  191    HA   LYS  23           HA       LYS  23   5.618  -0.769  -2.103
  192    HB2  LYS  23          2HB       LYS  23   3.597  -0.441  -3.501
  193    HB3  LYS  23          1HB       LYS  23   3.348   1.123  -2.736
  194    HG2  LYS  23          2HG       LYS  23   5.489   1.898  -3.632
  195    HG3  LYS  23          1HG       LYS  23   5.719   0.334  -4.413
  196    HD2  LYS  23          2HD       LYS  23   3.711   0.692  -5.749
  197    HD3  LYS  23          1HD       LYS  23   3.447   2.243  -4.949
  198    HE2  LYS  23          2HE       LYS  23   5.828   1.501  -6.648
  199    HE3  LYS  23          1HE       LYS  23   4.491   2.542  -7.138
  200    HZ1  LYS  23          1HZ       LYS  23   6.382   3.851  -6.452
  201    HZ2  LYS  23          2HZ       LYS  23   6.418   3.090  -4.948
  202    HZ3  LYS  23          3HZ       LYS  23   5.113   4.079  -5.363
  203    H    VAL  24           H        VAL  24   3.945   1.307   0.122
  204    HA   VAL  24           HA       VAL  24   6.131   3.203   0.082
  205    HB   VAL  24           HB       VAL  24   3.590   3.150   1.695
  206   HG11  VAL  24          1HG1      VAL  24   5.525   5.421   1.500
  207   HG12  VAL  24          2HG1      VAL  24   5.477   4.301   2.854
  208   HG13  VAL  24          3HG1      VAL  24   4.079   5.320   2.503
  209   HG21  VAL  24          1HG2      VAL  24   3.021   5.076   0.237
  210   HG22  VAL  24          2HG2      VAL  24   3.200   3.550  -0.631
  211   HG23  VAL  24          3HG2      VAL  24   4.497   4.747  -0.677
  212    H    VAL  25           H        VAL  25   5.916   0.232   1.171
  213    HA   VAL  25           HA       VAL  25   7.643   0.687   3.474
  214    HB   VAL  25           HB       VAL  25   6.081  -1.442   2.766
  215   HG11  VAL  25          1HG1      VAL  25   8.895  -2.131   1.945
  216   HG12  VAL  25          2HG1      VAL  25   7.452  -2.133   0.924
  217   HG13  VAL  25          3HG1      VAL  25   7.615  -3.318   2.226
  218   HG21  VAL  25          1HG2      VAL  25   6.952  -0.992   4.986
  219   HG22  VAL  25          2HG2      VAL  25   8.550  -1.545   4.485
  220   HG23  VAL  25          3HG2      VAL  25   7.199  -2.679   4.543
  221    H    VAL  26           H        VAL  26   7.651   0.217   0.085
  222    HA   VAL  26           HA       VAL  26  10.295  -0.721  -0.277
  223    HB   VAL  26           HB       VAL  26   8.354   0.535  -2.195
  224   HG11  VAL  26          1HG1      VAL  26  10.902  -0.987  -2.762
  225   HG12  VAL  26          2HG1      VAL  26  10.620   0.729  -3.056
  226   HG13  VAL  26          3HG1      VAL  26   9.726  -0.482  -3.974
  227   HG21  VAL  26          1HG2      VAL  26   7.517  -1.525  -1.235
  228   HG22  VAL  26          2HG2      VAL  26   9.019  -2.356  -1.637
  229   HG23  VAL  26          3HG2      VAL  26   7.952  -1.791  -2.923
  230    H    LEU  27           H        LEU  27   8.718   2.338  -0.860
  231    HA   LEU  27           HA       LEU  27  10.952   3.659  -1.810
  232    HB2  LEU  27          2HB       LEU  27   9.726   5.646  -1.761
  233    HB3  LEU  27          1HB       LEU  27   8.592   4.363  -2.101
  234    HG   LEU  27           HG       LEU  27   8.693   6.251   0.153
  235   HD11  LEU  27          1HD1      LEU  27   6.499   4.703  -1.195
  236   HD12  LEU  27          2HD1      LEU  27   7.032   6.327  -1.631
  237   HD13  LEU  27          3HD1      LEU  27   6.286   6.034  -0.062
  238   HD21  LEU  27          1HD2      LEU  27   9.039   4.385   1.524
  239   HD22  LEU  27          2HD2      LEU  27   8.004   3.358   0.533
  240   HD23  LEU  27          3HD2      LEU  27   7.292   4.637   1.523
  241    H    LEU  28           H        LEU  28  10.157   2.821   1.410
  242    HA   LEU  28           HA       LEU  28  11.817   4.680   2.774
  243    HB2  LEU  28          2HB       LEU  28  11.118   1.839   3.531
  244    HB3  LEU  28          1HB       LEU  28  11.790   3.046   4.607
  245    HG   LEU  28           HG       LEU  28   9.068   3.171   3.313
  246   HD11  LEU  28          1HD1      LEU  28   9.864   2.643   6.173
  247   HD12  LEU  28          2HD1      LEU  28   9.236   1.448   5.038
  248   HD13  LEU  28          3HD1      LEU  28   8.217   2.787   5.561
  249   HD21  LEU  28          1HD2      LEU  28   9.979   5.390   3.643
  250   HD22  LEU  28          2HD2      LEU  28  10.403   4.997   5.310
  251   HD23  LEU  28          3HD2      LEU  28   8.709   5.082   4.826
  252    H    LYS  29           H        LYS  29  12.340   1.480   1.379
  253    HA   LYS  29           HA       LYS  29  15.140   1.465   2.109
  254    HB2  LYS  29          2HB       LYS  29  13.400  -0.413   0.522
  255    HB3  LYS  29          1HB       LYS  29  15.138  -0.632   0.627
  256    HG2  LYS  29          2HG       LYS  29  14.135  -2.057   2.238
  257    HG3  LYS  29          1HG       LYS  29  14.896  -0.731   3.113
  258    HD2  LYS  29          2HD       LYS  29  12.712   0.375   3.307
  259    HD3  LYS  29          1HD       LYS  29  11.960  -0.976   2.459
  260    HE2  LYS  29          2HE       LYS  29  13.433  -1.150   5.086
  261    HE3  LYS  29          1HE       LYS  29  11.682  -1.128   4.895
  262    HZ1  LYS  29          1HZ       LYS  29  11.860  -3.189   3.610
  263    HZ2  LYS  29          2HZ       LYS  29  12.457  -3.370   5.179
  264    HZ3  LYS  29          3HZ       LYS  29  13.530  -3.219   3.881
  265    H    ARG  30           H        ARG  30  13.196   2.071  -0.752
  266    HA   ARG  30           HA       ARG  30  15.650   2.581  -2.295
  267    HB2  ARG  30          2HB       ARG  30  12.841   2.129  -3.324
  268    HB3  ARG  30          1HB       ARG  30  14.296   2.285  -4.299
  269    HG2  ARG  30          2HG       ARG  30  13.682   0.061  -2.365
  270    HG3  ARG  30          1HG       ARG  30  13.611  -0.029  -4.125
  271    HD2  ARG  30          2HD       ARG  30  16.011   0.434  -4.243
  272    HD3  ARG  30          1HD       ARG  30  16.078   0.530  -2.485
  273    HE   ARG  30           HE       ARG  30  14.986  -1.952  -3.284
  274   HH11  ARG  30          1HH1      ARG  30  18.020  -0.217  -3.108
  275   HH12  ARG  30          2HH1      ARG  30  18.983  -1.658  -3.009
  276   HH21  ARG  30          1HH2      ARG  30  16.251  -3.849  -3.123
  277   HH22  ARG  30          2HH2      ARG  30  17.975  -3.722  -3.010
  Start of MODEL    2
    1    H1   MET   1          1H        MET   1 -15.533  17.053  13.696
    2    H2   MET   1          2H        MET   1 -14.320  15.879  13.598
    3    H3   MET   1          3H        MET   1 -15.347  15.923  14.939
    4    HA   MET   1           HA       MET   1 -17.226  15.335  13.607
    5    HB2  MET   1          2HB       MET   1 -15.207  15.346  11.362
    6    HB3  MET   1          1HB       MET   1 -16.785  14.587  11.236
    7    HG2  MET   1          2HG       MET   1 -17.850  16.749  11.635
    8    HG3  MET   1          1HG       MET   1 -16.263  17.506  11.746
    9    HE1  MET   1          1HE       MET   1 -18.796  15.619   9.435
   10    HE2  MET   1          2HE       MET   1 -17.345  14.636   9.234
   11    HE3  MET   1          3HE       MET   1 -17.947  15.603   7.890
   12    H    ALA   2           H        ALA   2 -17.763  13.147  13.209
   13    HA   ALA   2           HA       ALA   2 -15.604  11.192  13.577
   14    HB1  ALA   2          1HB       ALA   2 -16.976   9.960  15.193
   15    HB2  ALA   2          2HB       ALA   2 -18.194  11.231  15.125
   16    HB3  ALA   2          3HB       ALA   2 -16.594  11.580  15.775
   17    H    THR   3           H        THR   3 -17.076  12.045  11.258
   18    HA   THR   3           HA       THR   3 -19.071  10.013  10.732
   19    HB   THR   3           HB       THR   3 -17.991  12.122   8.856
   20    HG1  THR   3           HG1      THR   3 -20.453  12.489  10.102
   21   HG21  THR   3          1HG2      THR   3 -20.147  11.840   7.718
   22   HG22  THR   3          2HG2      THR   3 -20.587  10.577   8.864
   23   HG23  THR   3          3HG2      THR   3 -19.240  10.330   7.754
   24    H    LYS   4           H        LYS   4 -18.627   8.118   9.823
   25    HA   LYS   4           HA       LYS   4 -15.972   7.393   9.115
   26    HB2  LYS   4          2HB       LYS   4 -17.527   5.781  10.095
   27    HB3  LYS   4          1HB       LYS   4 -18.581   5.924   8.695
   28    HG2  LYS   4          2HG       LYS   4 -16.784   5.013   7.281
   29    HG3  LYS   4          1HG       LYS   4 -15.777   4.818   8.712
   30    HD2  LYS   4          2HD       LYS   4 -18.445   3.492   8.243
   31    HD3  LYS   4          1HD       LYS   4 -16.867   2.719   8.063
   32    HE2  LYS   4          2HE       LYS   4 -16.409   3.178  10.436
   33    HE3  LYS   4          1HE       LYS   4 -18.020   3.871  10.597
   34    HZ1  LYS   4          1HZ       LYS   4 -17.951   1.580  11.361
   35    HZ2  LYS   4          2HZ       LYS   4 -17.426   1.066   9.840
   36    HZ3  LYS   4          3HZ       LYS   4 -18.965   1.733  10.017
   37    H    HIS   5           H        HIS   5 -15.044   8.120   7.355
   38    HA   HIS   5           HA       HIS   5 -16.521   8.522   4.899
   39    HB2  HIS   5          2HB       HIS   5 -14.762  10.108   5.509
   40    HB3  HIS   5          1HB       HIS   5 -13.579   8.811   5.550
   41    HD1  HIS   5           HD1      HIS   5 -15.294  11.158   3.257
   42    HD2  HIS   5           HD2      HIS   5 -12.830   7.821   2.971
   43    HE1  HIS   5           HE1      HIS   5 -14.476  11.120   0.883
   44    HE2  HIS   5           HE2      HIS   5 -12.856   9.197   0.783
   45    H    GLY   6           H        GLY   6 -16.895   6.915   3.522
   46    HA2  GLY   6          2HA       GLY   6 -15.493   5.411   2.013
   47    HA3  GLY   6          1HA       GLY   6 -15.025   4.638   3.520
   48    H    LYS   7           H        LYS   7 -17.517   4.694   4.816
   49    HA   LYS   7           HA       LYS   7 -19.223   3.298   5.163
   50    HB2  LYS   7          2HB       LYS   7 -19.706   4.018   2.323
   51    HB3  LYS   7          1HB       LYS   7 -20.843   3.133   3.305
   52    HG2  LYS   7          2HG       LYS   7 -19.812   5.871   3.966
   53    HG3  LYS   7          1HG       LYS   7 -21.334   5.553   3.135
   54    HD2  LYS   7          2HD       LYS   7 -20.632   4.514   5.880
   55    HD3  LYS   7          1HD       LYS   7 -21.586   5.965   5.576
   56    HE2  LYS   7          2HE       LYS   7 -23.258   4.631   4.403
   57    HE3  LYS   7          1HE       LYS   7 -22.301   3.177   4.673
   58    HZ1  LYS   7          1HZ       LYS   7 -22.615   3.407   7.027
   59    HZ2  LYS   7          2HZ       LYS   7 -24.124   3.430   6.268
   60    HZ3  LYS   7          3HZ       LYS   7 -23.439   4.870   6.825
   61    H    ASN   8           H        ASN   8 -19.214   2.185   1.929
   62    HA   ASN   8           HA       ASN   8 -17.992  -0.349   2.792
   63    HB2  ASN   8          2HB       ASN   8 -20.408  -0.588   2.377
   64    HB3  ASN   8          1HB       ASN   8 -20.191   0.026   0.744
   65   HD21  ASN   8          1HD2      ASN   8 -19.300  -3.824   1.673
   66   HD22  ASN   8          2HD2      ASN   8 -19.629  -2.652   2.898
   67    H    SER   9           H        SER   9 -17.781   2.284   0.654
   68    HA   SER   9           HA       SER   9 -16.603   0.895  -1.559
   69    HB2  SER   9          2HB       SER   9 -17.853   2.991  -1.899
   70    HB3  SER   9          1HB       SER   9 -16.660   3.858  -0.932
   71    HG   SER   9           HG       SER   9 -15.081   3.145  -2.521
   72    H    TRP  10           H        TRP  10 -15.478   2.099   1.423
   73    HA   TRP  10           HA       TRP  10 -12.856   2.811   0.858
   74    HB2  TRP  10          2HB       TRP  10 -12.295   2.131   3.150
   75    HB3  TRP  10          1HB       TRP  10 -13.759   3.050   3.128
   76    HD1  TRP  10           HD1      TRP  10 -16.076   1.641   3.574
   77    HE1  TRP  10           HE1      TRP  10 -16.396  -0.617   4.812
   78    HE3  TRP  10           HE3      TRP  10 -11.313   0.134   3.478
   79    HZ2  TRP  10           HZ2      TRP  10 -14.688  -2.791   5.615
   80    HZ3  TRP  10           HZ3      TRP  10 -10.683  -1.957   4.481
   81    HH2  TRP  10           HH2      TRP  10 -12.318  -3.424   5.532
   82    H    LYS  11           H        LYS  11 -14.315  -0.357   1.008
   83    HA   LYS  11           HA       LYS  11 -12.078  -1.932   1.568
   84    HB2  LYS  11          2HB       LYS  11 -14.349  -2.583  -0.310
   85    HB3  LYS  11          1HB       LYS  11 -13.314  -3.698   0.546
   86    HG2  LYS  11          2HG       LYS  11 -14.225  -2.969   2.675
   87    HG3  LYS  11          1HG       LYS  11 -15.237  -1.791   1.837
   88    HD2  LYS  11          2HD       LYS  11 -16.499  -3.805   2.431
   89    HD3  LYS  11          1HD       LYS  11 -16.395  -3.598   0.680
   90    HE2  LYS  11          2HE       LYS  11 -14.577  -5.188   0.576
   91    HE3  LYS  11          1HE       LYS  11 -14.611  -5.361   2.334
   92    HZ1  LYS  11          1HZ       LYS  11 -16.854  -6.263   2.148
   93    HZ2  LYS  11          2HZ       LYS  11 -15.752  -7.188   1.264
   94    HZ3  LYS  11          3HZ       LYS  11 -16.792  -6.123   0.463
   95    H    THR  12           H        THR  12 -13.311  -0.667  -1.391
   96    HA   THR  12           HA       THR  12 -11.491  -1.894  -3.179
   97    HB   THR  12           HB       THR  12 -13.692  -0.014  -3.097
   98    HG1  THR  12           HG1      THR  12 -14.266  -1.855  -3.974
   99   HG21  THR  12          1HG2      THR  12 -13.317   1.000  -5.301
  100   HG22  THR  12          2HG2      THR  12 -11.710   0.276  -5.369
  101   HG23  THR  12          3HG2      THR  12 -12.079   1.500  -4.152
  102    H    LEU  13           H        LEU  13 -11.599   1.076  -1.360
  103    HA   LEU  13           HA       LEU  13  -9.209   2.280  -2.376
  104    HB2  LEU  13          2HB       LEU  13 -10.281   3.916  -1.236
  105    HB3  LEU  13          1HB       LEU  13 -11.237   2.752  -0.339
  106    HG   LEU  13           HG       LEU  13  -8.555   2.778   0.685
  107   HD11  LEU  13          1HD1      LEU  13  -8.511   5.060   1.576
  108   HD12  LEU  13          2HD1      LEU  13  -9.926   5.456   0.598
  109   HD13  LEU  13          3HD1      LEU  13  -8.402   5.033  -0.185
  110   HD21  LEU  13          1HD2      LEU  13  -9.700   3.300   2.798
  111   HD22  LEU  13          2HD2      LEU  13 -10.499   1.977   1.943
  112   HD23  LEU  13          3HD2      LEU  13 -11.193   3.601   1.910
  113    H    TYR  14           H        TYR  14 -10.024  -0.112  -0.090
  114    HA   TYR  14           HA       TYR  14  -7.812   0.206   1.666
  115    HB2  TYR  14          2HB       TYR  14 -10.092  -0.579   2.293
  116    HB3  TYR  14          1HB       TYR  14  -9.774  -2.071   1.422
  117    HD1  TYR  14           HD1      TYR  14  -8.806  -0.020   4.301
  118    HD2  TYR  14           HD2      TYR  14  -8.466  -3.781   2.346
  119    HE1  TYR  14           HE1      TYR  14  -7.713  -0.952   6.297
  120    HE2  TYR  14           HE2      TYR  14  -7.400  -4.734   4.332
  121    HH   TYR  14           HH       TYR  14  -6.167  -4.014   6.298
  122    H    LEU  15           H        LEU  15  -8.675  -2.068  -0.873
  123    HA   LEU  15           HA       LEU  15  -6.493  -3.744  -0.531
  124    HB2  LEU  15          2HB       LEU  15  -8.854  -3.983  -1.636
  125    HB3  LEU  15          1HB       LEU  15  -8.012  -3.408  -3.076
  126    HG   LEU  15           HG       LEU  15  -6.314  -5.147  -2.394
  127   HD11  LEU  15          1HD1      LEU  15  -7.170  -7.109  -1.286
  128   HD12  LEU  15          2HD1      LEU  15  -8.764  -6.367  -1.174
  129   HD13  LEU  15          3HD1      LEU  15  -7.415  -5.691  -0.258
  130   HD21  LEU  15          1HD2      LEU  15  -8.923  -5.892  -3.686
  131   HD22  LEU  15          2HD2      LEU  15  -7.437  -6.833  -3.815
  132   HD23  LEU  15          3HD2      LEU  15  -7.512  -5.207  -4.494
  133    H    LYS  16           H        LYS  16  -7.134  -0.783  -2.134
  134    HA   LYS  16           HA       LYS  16  -4.735  -0.658  -3.675
  135    HB2  LYS  16          2HB       LYS  16  -6.567   0.710  -4.374
  136    HB3  LYS  16          1HB       LYS  16  -6.813   1.332  -2.758
  137    HG2  LYS  16          2HG       LYS  16  -4.270   1.933  -4.189
  138    HG3  LYS  16          1HG       LYS  16  -5.739   2.828  -4.577
  139    HD2  LYS  16          2HD       LYS  16  -5.992   3.387  -2.188
  140    HD3  LYS  16          1HD       LYS  16  -4.471   2.560  -1.857
  141    HE2  LYS  16          2HE       LYS  16  -4.117   4.962  -2.009
  142    HE3  LYS  16          1HE       LYS  16  -3.302   4.132  -3.333
  143    HZ1  LYS  16          1HZ       LYS  16  -5.120   4.734  -4.793
  144    HZ2  LYS  16          2HZ       LYS  16  -4.459   6.119  -4.087
  145    HZ3  LYS  16          3HZ       LYS  16  -5.928   5.503  -3.523
  146    H    ILE  17           H        ILE  17  -5.833   0.326  -0.486
  147    HA   ILE  17           HA       ILE  17  -3.569   1.687   0.390
  148    HB   ILE  17           HB       ILE  17  -5.902   0.379   1.674
  149   HG12  ILE  17          2HG1      ILE  17  -4.702   3.144   1.869
  150   HG13  ILE  17          1HG1      ILE  17  -6.049   2.673   0.837
  151   HG21  ILE  17          1HG2      ILE  17  -4.044  -0.324   3.095
  152   HG22  ILE  17          2HG2      ILE  17  -5.127   0.799   3.918
  153   HG23  ILE  17          3HG2      ILE  17  -3.572   1.363   3.299
  154   HD11  ILE  17          1HD1      ILE  17  -6.819   3.842   2.817
  155   HD12  ILE  17          2HD1      ILE  17  -6.034   2.645   3.847
  156   HD13  ILE  17          3HD1      ILE  17  -7.387   2.172   2.817
  157    H    SER  18           H        SER  18  -4.479  -1.715   0.540
  158    HA   SER  18           HA       SER  18  -2.199  -2.578   1.990
  159    HB2  SER  18          2HB       SER  18  -4.431  -3.810   1.630
  160    HB3  SER  18          1HB       SER  18  -3.772  -4.282   0.061
  161    HG   SER  18           HG       SER  18  -2.801  -4.912   2.645
  162    H    PHE  19           H        PHE  19  -2.705  -1.644  -1.251
  163    HA   PHE  19           HA       PHE  19  -0.496  -3.199  -2.302
  164    HB2  PHE  19          2HB       PHE  19  -2.623  -2.779  -3.590
  165    HB3  PHE  19          1HB       PHE  19  -2.130  -1.093  -3.721
  166    HD1  PHE  19           HD1      PHE  19  -1.254  -4.542  -4.627
  167    HD2  PHE  19           HD2      PHE  19  -0.499  -0.413  -5.301
  168    HE1  PHE  19           HE1      PHE  19   0.086  -5.117  -6.616
  169    HE2  PHE  19           HE2      PHE  19   0.833  -0.974  -7.292
  170    HZ   PHE  19           HZ       PHE  19   1.130  -3.330  -7.949
  171    H    LEU  20           H        LEU  20  -1.336   0.286  -2.238
  172    HA   LEU  20           HA       LEU  20   1.336   1.024  -2.913
  173    HB2  LEU  20          2HB       LEU  20  -1.079   2.576  -2.079
  174    HB3  LEU  20          1HB       LEU  20   0.486   3.358  -2.188
  175    HG   LEU  20           HG       LEU  20   0.569   2.478  -4.586
  176   HD11  LEU  20          1HD1      LEU  20  -2.392   2.245  -4.185
  177   HD12  LEU  20          2HD1      LEU  20  -1.295   0.870  -4.215
  178   HD13  LEU  20          3HD1      LEU  20  -1.469   1.892  -5.643
  179   HD21  LEU  20          1HD2      LEU  20  -0.845   4.337  -5.412
  180   HD22  LEU  20          2HD2      LEU  20   0.258   4.815  -4.123
  181   HD23  LEU  20          3HD2      LEU  20  -1.450   4.561  -3.772
  182    H    GLY  21           H        GLY  21  -0.374   0.565   0.100
  183    HA2  GLY  21          2HA       GLY  21   1.533   1.749   1.809
  184    HA3  GLY  21          1HA       GLY  21   0.477   0.406   2.235
  185    H    CYS  22           H        CYS  22   1.417  -1.308   0.143
  186    HA   CYS  22           HA       CYS  22   3.789  -2.359   1.372
  187    HB2  CYS  22          2HB       CYS  22   1.953  -3.816   0.549
  188    HB3  CYS  22          1HB       CYS  22   2.296  -3.291  -1.093
  189    HG   CYS  22           HG       CYS  22   4.418  -5.092   0.904
  190    H    LYS  23           H        LYS  23   3.073  -0.219  -1.220
  191    HA   LYS  23           HA       LYS  23   5.690  -0.591  -2.436
  192    HB2  LYS  23          2HB       LYS  23   3.538   1.440  -3.040
  193    HB3  LYS  23          1HB       LYS  23   5.014   1.219  -3.966
  194    HG2  LYS  23          2HG       LYS  23   4.293  -1.086  -4.484
  195    HG3  LYS  23          1HG       LYS  23   2.773  -0.764  -3.649
  196    HD2  LYS  23          2HD       LYS  23   2.385  -0.454  -5.981
  197    HD3  LYS  23          1HD       LYS  23   2.409   1.144  -5.235
  198    HE2  LYS  23          2HE       LYS  23   3.645   1.204  -7.304
  199    HE3  LYS  23          1HE       LYS  23   4.760   1.406  -5.954
  200    HZ1  LYS  23          1HZ       LYS  23   5.693  -0.111  -7.537
  201    HZ2  LYS  23          2HZ       LYS  23   4.304  -1.075  -7.521
  202    HZ3  LYS  23          3HZ       LYS  23   5.284  -0.985  -6.147
  203    H    VAL  24           H        VAL  24   4.018   1.623  -0.338
  204    HA   VAL  24           HA       VAL  24   6.361   3.313  -0.147
  205    HB   VAL  24           HB       VAL  24   3.656   3.510   1.164
  206   HG11  VAL  24          1HG1      VAL  24   5.504   4.553   2.490
  207   HG12  VAL  24          2HG1      VAL  24   4.225   5.652   1.978
  208   HG13  VAL  24          3HG1      VAL  24   5.763   5.630   1.122
  209   HG21  VAL  24          1HG2      VAL  24   3.372   5.402  -0.395
  210   HG22  VAL  24          2HG2      VAL  24   3.575   3.852  -1.211
  211   HG23  VAL  24          3HG2      VAL  24   4.927   4.983  -1.120
  212    H    VAL  25           H        VAL  25   5.754   0.387   0.972
  213    HA   VAL  25           HA       VAL  25   7.218   0.808   3.457
  214    HB   VAL  25           HB       VAL  25   5.521  -1.138   2.898
  215   HG11  VAL  25          1HG1      VAL  25   6.704  -3.206   2.224
  216   HG12  VAL  25          2HG1      VAL  25   8.124  -2.225   1.842
  217   HG13  VAL  25          3HG1      VAL  25   6.623  -1.994   0.942
  218   HG21  VAL  25          1HG2      VAL  25   6.625  -0.855   5.031
  219   HG22  VAL  25          2HG2      VAL  25   8.095  -1.587   4.390
  220   HG23  VAL  25          3HG2      VAL  25   6.629  -2.553   4.560
  221    H    VAL  26           H        VAL  26   7.636   0.253   0.124
  222    HA   VAL  26           HA       VAL  26  10.206  -0.959   0.147
  223    HB   VAL  26           HB       VAL  26   8.727   0.446  -2.064
  224   HG11  VAL  26          1HG1      VAL  26  11.123   0.232  -2.522
  225   HG12  VAL  26          2HG1      VAL  26  10.175  -0.800  -3.592
  226   HG13  VAL  26          3HG1      VAL  26  11.031  -1.503  -2.221
  227   HG21  VAL  26          1HG2      VAL  26   8.837  -2.486  -1.363
  228   HG22  VAL  26          2HG2      VAL  26   8.068  -1.808  -2.797
  229   HG23  VAL  26          3HG2      VAL  26   7.444  -1.421  -1.192
  230    H    LEU  27           H        LEU  27   8.987   2.209  -0.676
  231    HA   LEU  27           HA       LEU  27  11.446   3.320  -1.312
  232    HB2  LEU  27          2HB       LEU  27  10.395   5.400  -1.483
  233    HB3  LEU  27          1HB       LEU  27   9.220   4.206  -1.972
  234    HG   LEU  27           HG       LEU  27   9.133   6.149   0.231
  235   HD11  LEU  27          1HD1      LEU  27   7.761   6.255  -1.800
  236   HD12  LEU  27          2HD1      LEU  27   6.783   6.119  -0.338
  237   HD13  LEU  27          3HD1      LEU  27   7.027   4.709  -1.367
  238   HD21  LEU  27          1HD2      LEU  27   8.149   3.333   0.566
  239   HD22  LEU  27          2HD2      LEU  27   7.449   4.703   1.433
  240   HD23  LEU  27          3HD2      LEU  27   9.148   4.288   1.664
  241    H    LEU  28           H        LEU  28  10.118   2.590   1.733
  242    HA   LEU  28           HA       LEU  28  11.811   4.302   3.294
  243    HB2  LEU  28          2HB       LEU  28  10.485   1.697   4.061
  244    HB3  LEU  28          1HB       LEU  28  11.177   2.862   5.168
  245    HG   LEU  28           HG       LEU  28   8.764   3.322   3.419
  246   HD11  LEU  28          1HD1      LEU  28   8.321   1.765   5.231
  247   HD12  LEU  28          2HD1      LEU  28   7.529   3.311   5.529
  248   HD13  LEU  28          3HD1      LEU  28   9.009   2.898   6.392
  249   HD21  LEU  28          1HD2      LEU  28  10.007   5.380   3.767
  250   HD22  LEU  28          2HD2      LEU  28  10.060   5.078   5.503
  251   HD23  LEU  28          3HD2      LEU  28   8.518   5.399   4.711
  252    H    LYS  29           H        LYS  29  11.923   0.968   2.131
  253    HA   LYS  29           HA       LYS  29  14.392   0.316   3.403
  254    HB2  LYS  29          2HB       LYS  29  13.196  -1.010   0.961
  255    HB3  LYS  29          1HB       LYS  29  14.360  -1.702   2.079
  256    HG2  LYS  29          2HG       LYS  29  11.461  -1.091   2.589
  257    HG3  LYS  29          1HG       LYS  29  12.243  -2.672   2.541
  258    HD2  LYS  29          2HD       LYS  29  13.583  -2.016   4.523
  259    HD3  LYS  29          1HD       LYS  29  12.677  -0.501   4.586
  260    HE2  LYS  29          2HE       LYS  29  11.696  -2.004   6.162
  261    HE3  LYS  29          1HE       LYS  29  10.586  -1.847   4.801
  262    HZ1  LYS  29          1HZ       LYS  29  12.455  -4.103   5.292
  263    HZ2  LYS  29          2HZ       LYS  29  11.472  -3.944   3.926
  264    HZ3  LYS  29          3HZ       LYS  29  10.770  -4.140   5.450
  265    H    ARG  30           H        ARG  30  13.469   1.687   0.345
  266    HA   ARG  30           HA       ARG  30  14.576   2.702  -1.326
  267    HB2  ARG  30          2HB       ARG  30  16.694   2.740   0.784
  268    HB3  ARG  30          1HB       ARG  30  16.985   3.417  -0.813
  269    HG2  ARG  30          2HG       ARG  30  14.810   4.270   1.087
  270    HG3  ARG  30          1HG       ARG  30  16.341   5.111   0.841
  271    HD2  ARG  30          2HD       ARG  30  15.753   5.487  -1.507
  272    HD3  ARG  30          1HD       ARG  30  14.224   4.642  -1.260
  273    HE   ARG  30           HE       ARG  30  14.506   6.773   0.587
  274   HH11  ARG  30          1HH1      ARG  30  13.764   6.132  -2.776
  275   HH12  ARG  30          2HH1      ARG  30  12.806   7.566  -2.968
  276   HH21  ARG  30          1HH2      ARG  30  13.258   8.657   0.336
  277   HH22  ARG  30          2HH2      ARG  30  12.531   9.013  -1.200
  Start of MODEL    3
    1    H1   MET   1          1H        MET   1 -12.591   5.609  17.530
    2    H2   MET   1          2H        MET   1 -12.234   4.812  16.085
    3    H3   MET   1          3H        MET   1 -12.882   3.951  17.380
    4    HA   MET   1           HA       MET   1 -14.541   4.365  15.689
    5    HB2  MET   1          2HB       MET   1 -14.947   5.895  18.269
    6    HB3  MET   1          1HB       MET   1 -16.236   5.457  17.159
    7    HG2  MET   1          2HG       MET   1 -15.748   3.092  17.531
    8    HG3  MET   1          1HG       MET   1 -14.462   3.538  18.648
    9    HE1  MET   1          1HE       MET   1 -18.045   5.181  18.207
   10    HE2  MET   1          2HE       MET   1 -18.959   4.266  19.406
   11    HE3  MET   1          3HE       MET   1 -18.309   3.451  17.984
   12    H    ALA   2           H        ALA   2 -12.481   6.173  14.876
   13    HA   ALA   2           HA       ALA   2 -13.859   8.740  14.652
   14    HB1  ALA   2          1HB       ALA   2 -11.743   9.614  13.804
   15    HB2  ALA   2          2HB       ALA   2 -11.049   7.994  13.867
   16    HB3  ALA   2          3HB       ALA   2 -11.525   8.807  15.357
   17    H    THR   3           H        THR   3 -13.431   5.899  12.980
   18    HA   THR   3           HA       THR   3 -14.130   7.174  10.425
   19    HB   THR   3           HB       THR   3 -13.478   4.800   9.529
   20    HG1  THR   3           HG1      THR   3 -11.534   4.739  11.491
   21   HG21  THR   3          1HG2      THR   3 -12.310   6.875   8.963
   22   HG22  THR   3          2HG2      THR   3 -11.172   5.551   9.204
   23   HG23  THR   3          3HG2      THR   3 -11.388   6.769  10.461
   24    H    LYS   4           H        LYS   4 -15.868   6.351   9.247
   25    HA   LYS   4           HA       LYS   4 -17.858   5.033  10.917
   26    HB2  LYS   4          2HB       LYS   4 -18.116   6.394   8.230
   27    HB3  LYS   4          1HB       LYS   4 -19.452   5.726   9.155
   28    HG2  LYS   4          2HG       LYS   4 -18.936   7.306  10.980
   29    HG3  LYS   4          1HG       LYS   4 -17.674   8.014   9.972
   30    HD2  LYS   4          2HD       LYS   4 -20.604   7.885   9.256
   31    HD3  LYS   4          1HD       LYS   4 -19.780   9.302   9.910
   32    HE2  LYS   4          2HE       LYS   4 -18.318   9.364   7.961
   33    HE3  LYS   4          1HE       LYS   4 -19.098   7.921   7.319
   34    HZ1  LYS   4          1HZ       LYS   4 -19.958   9.912   6.276
   35    HZ2  LYS   4          2HZ       LYS   4 -20.416  10.540   7.775
   36    HZ3  LYS   4          3HZ       LYS   4 -21.173   9.155   7.174
   37    H    HIS   5           H        HIS   5 -18.380   2.965  10.687
   38    HA   HIS   5           HA       HIS   5 -17.211   1.443   8.496
   39    HB2  HIS   5          2HB       HIS   5 -17.190   0.710  10.945
   40    HB3  HIS   5          1HB       HIS   5 -18.903   0.366  10.750
   41    HD1  HIS   5           HD1      HIS   5 -19.465  -1.921   9.962
   42    HD2  HIS   5           HD2      HIS   5 -15.531  -0.892   9.098
   43    HE1  HIS   5           HE1      HIS   5 -18.410  -4.004   9.031
   44    HE2  HIS   5           HE2      HIS   5 -15.989  -3.404   8.679
   45    H    GLY   6           H        GLY   6 -19.851   3.266   8.769
   46    HA2  GLY   6          2HA       GLY   6 -21.834   1.583   7.565
   47    HA3  GLY   6          1HA       GLY   6 -21.882   3.340   7.671
   48    H    LYS   7           H        LYS   7 -19.158   3.449   6.436
   49    HA   LYS   7           HA       LYS   7 -19.926   3.711   3.716
   50    HB2  LYS   7          2HB       LYS   7 -18.115   5.016   4.868
   51    HB3  LYS   7          1HB       LYS   7 -17.132   3.563   4.873
   52    HG2  LYS   7          2HG       LYS   7 -16.346   4.768   3.050
   53    HG3  LYS   7          1HG       LYS   7 -17.434   3.580   2.328
   54    HD2  LYS   7          2HD       LYS   7 -19.200   5.266   2.215
   55    HD3  LYS   7          1HD       LYS   7 -18.121   6.451   2.951
   56    HE2  LYS   7          2HE       LYS   7 -16.560   6.106   1.031
   57    HE3  LYS   7          1HE       LYS   7 -17.790   5.093   0.280
   58    HZ1  LYS   7          1HZ       LYS   7 -17.892   7.327  -0.581
   59    HZ2  LYS   7          2HZ       LYS   7 -18.076   7.965   0.977
   60    HZ3  LYS   7          3HZ       LYS   7 -19.295   7.001   0.306
   61    H    ASN   8           H        ASN   8 -19.199   2.457   1.922
   62    HA   ASN   8           HA       ASN   8 -18.397  -0.292   2.612
   63    HB2  ASN   8          2HB       ASN   8 -20.702  -0.414   2.014
   64    HB3  ASN   8          1HB       ASN   8 -20.469   0.644   0.626
   65   HD21  ASN   8          1HD2      ASN   8 -19.736  -3.329   0.361
   66   HD22  ASN   8          2HD2      ASN   8 -20.086  -2.569   1.877
   67    H    SER   9           H        SER   9 -18.329   2.266   0.176
   68    HA   SER   9           HA       SER   9 -16.899   0.757  -1.736
   69    HB2  SER   9          2HB       SER   9 -17.220   3.753  -1.562
   70    HB3  SER   9          1HB       SER   9 -16.772   2.832  -2.997
   71    HG   SER   9           HG       SER   9 -18.828   1.782  -2.829
   72    H    TRP  10           H        TRP  10 -15.756   1.914   1.118
   73    HA   TRP  10           HA       TRP  10 -13.244   2.929   0.205
   74    HB2  TRP  10          2HB       TRP  10 -12.513   2.688   2.540
   75    HB3  TRP  10          1HB       TRP  10 -13.969   3.601   2.408
   76    HD1  TRP  10           HD1      TRP  10 -16.257   2.345   3.253
   77    HE1  TRP  10           HE1      TRP  10 -16.492   0.492   5.060
   78    HE3  TRP  10           HE3      TRP  10 -11.521   0.757   3.214
   79    HZ2  TRP  10           HZ2      TRP  10 -14.748  -1.412   6.285
   80    HZ3  TRP  10           HZ3      TRP  10 -10.828  -1.021   4.689
   81    HH2  TRP  10           HH2      TRP  10 -12.400  -2.126   6.195
   82    H    LYS  11           H        LYS  11 -14.467  -0.252   1.052
   83    HA   LYS  11           HA       LYS  11 -11.994  -1.458   1.623
   84    HB2  LYS  11          2HB       LYS  11 -14.649  -2.436   0.692
   85    HB3  LYS  11          1HB       LYS  11 -13.269  -3.501   0.641
   86    HG2  LYS  11          2HG       LYS  11 -12.932  -3.308   3.002
   87    HG3  LYS  11          1HG       LYS  11 -14.164  -2.052   3.107
   88    HD2  LYS  11          2HD       LYS  11 -14.734  -4.857   2.175
   89    HD3  LYS  11          1HD       LYS  11 -14.874  -4.352   3.859
   90    HE2  LYS  11          2HE       LYS  11 -16.514  -2.644   3.191
   91    HE3  LYS  11          1HE       LYS  11 -16.390  -3.193   1.520
   92    HZ1  LYS  11          1HZ       LYS  11 -17.291  -5.300   2.124
   93    HZ2  LYS  11          2HZ       LYS  11 -18.318  -4.108   2.745
   94    HZ3  LYS  11          3HZ       LYS  11 -17.250  -4.920   3.771
   95    H    THR  12           H        THR  12 -13.659  -0.834  -1.346
   96    HA   THR  12           HA       THR  12 -11.932  -2.128  -3.152
   97    HB   THR  12           HB       THR  12 -14.052  -0.080  -3.178
   98    HG1  THR  12           HG1      THR  12 -15.026  -1.817  -3.806
   99   HG21  THR  12          1HG2      THR  12 -12.286  -0.486  -5.598
  100   HG22  THR  12          2HG2      THR  12 -12.411   0.994  -4.645
  101   HG23  THR  12          3HG2      THR  12 -13.802   0.416  -5.561
  102    H    LEU  13           H        LEU  13 -11.793   0.892  -1.457
  103    HA   LEU  13           HA       LEU  13  -9.464   1.924  -2.853
  104    HB2  LEU  13          2HB       LEU  13 -10.400   3.799  -1.998
  105    HB3  LEU  13          1HB       LEU  13 -11.441   2.861  -0.945
  106    HG   LEU  13           HG       LEU  13  -8.743   2.961   0.090
  107   HD11  LEU  13          1HD1      LEU  13  -8.721   5.337   0.671
  108   HD12  LEU  13          2HD1      LEU  13 -10.146   5.591  -0.336
  109   HD13  LEU  13          3HD1      LEU  13  -8.624   5.090  -1.073
  110   HD21  LEU  13          1HD2      LEU  13  -9.894   3.696   2.114
  111   HD22  LEU  13          2HD2      LEU  13 -10.739   2.324   1.393
  112   HD23  LEU  13          3HD2      LEU  13 -11.375   3.959   1.196
  113    H    TYR  14           H        TYR  14 -10.223  -0.098  -0.218
  114    HA   TYR  14           HA       TYR  14  -8.050   0.616   1.467
  115    HB2  TYR  14          2HB       TYR  14 -10.256  -0.171   2.273
  116    HB3  TYR  14          1HB       TYR  14  -9.881  -1.770   1.639
  117    HD1  TYR  14           HD1      TYR  14  -8.251  -3.161   2.674
  118    HD2  TYR  14           HD2      TYR  14  -9.116   0.701   4.204
  119    HE1  TYR  14           HE1      TYR  14  -6.994  -3.719   4.683
  120    HE2  TYR  14           HE2      TYR  14  -7.851   0.173   6.250
  121    HH   TYR  14           HH       TYR  14  -5.791  -2.493   6.512
  122    H    LEU  15           H        LEU  15  -8.729  -2.086  -0.680
  123    HA   LEU  15           HA       LEU  15  -6.360  -3.465   0.146
  124    HB2  LEU  15          2HB       LEU  15  -7.973  -4.077  -2.314
  125    HB3  LEU  15          1HB       LEU  15  -6.971  -5.148  -1.351
  126    HG   LEU  15           HG       LEU  15  -9.431  -3.887  -0.211
  127   HD11  LEU  15          1HD1      LEU  15 -10.627  -5.948  -0.727
  128   HD12  LEU  15          2HD1      LEU  15  -9.222  -6.550  -1.605
  129   HD13  LEU  15          3HD1      LEU  15 -10.096  -5.139  -2.200
  130   HD21  LEU  15          1HD2      LEU  15  -9.297  -5.725   1.364
  131   HD22  LEU  15          2HD2      LEU  15  -7.785  -4.819   1.348
  132   HD23  LEU  15          3HD2      LEU  15  -7.892  -6.371   0.518
  133    H    LYS  16           H        LYS  16  -7.259  -1.073  -2.087
  134    HA   LYS  16           HA       LYS  16  -4.901  -1.110  -3.688
  135    HB2  LYS  16          2HB       LYS  16  -6.816   0.027  -4.562
  136    HB3  LYS  16          1HB       LYS  16  -7.065   0.903  -3.067
  137    HG2  LYS  16          2HG       LYS  16  -4.552   1.397  -4.563
  138    HG3  LYS  16          1HG       LYS  16  -6.060   2.066  -5.195
  139    HD2  LYS  16          2HD       LYS  16  -6.489   3.101  -3.005
  140    HD3  LYS  16          1HD       LYS  16  -4.947   2.474  -2.424
  141    HE2  LYS  16          2HE       LYS  16  -3.762   3.786  -4.097
  142    HE3  LYS  16          1HE       LYS  16  -5.293   4.372  -4.746
  143    HZ1  LYS  16          1HZ       LYS  16  -4.293   4.880  -1.997
  144    HZ2  LYS  16          2HZ       LYS  16  -5.730   5.478  -2.659
  145    HZ3  LYS  16          3HZ       LYS  16  -4.243   5.986  -3.275
  146    H    ILE  17           H        ILE  17  -5.981   0.341  -0.686
  147    HA   ILE  17           HA       ILE  17  -3.741   1.892  -0.091
  148    HB   ILE  17           HB       ILE  17  -6.008   0.732   1.434
  149   HG12  ILE  17          2HG1      ILE  17  -4.879   3.524   1.193
  150   HG13  ILE  17          1HG1      ILE  17  -6.227   2.871   0.266
  151   HG21  ILE  17          1HG2      ILE  17  -5.214   1.468   3.572
  152   HG22  ILE  17          2HG2      ILE  17  -3.697   2.018   2.856
  153   HG23  ILE  17          3HG2      ILE  17  -4.084   0.298   2.889
  154   HD11  ILE  17          1HD1      ILE  17  -7.525   2.641   2.319
  155   HD12  ILE  17          2HD1      ILE  17  -6.995   4.305   2.068
  156   HD13  ILE  17          3HD1      ILE  17  -6.170   3.287   3.247
  157    H    SER  18           H        SER  18  -4.505  -1.490   0.481
  158    HA   SER  18           HA       SER  18  -2.217  -2.206   1.947
  159    HB2  SER  18          2HB       SER  18  -4.290  -3.625   1.533
  160    HB3  SER  18          1HB       SER  18  -3.644  -3.946  -0.082
  161    HG   SER  18           HG       SER  18  -1.856  -4.933   0.865
  162    H    PHE  19           H        PHE  19  -2.866  -1.954  -1.492
  163    HA   PHE  19           HA       PHE  19  -0.514  -3.182  -2.427
  164    HB2  PHE  19          2HB       PHE  19  -2.625  -2.751  -3.739
  165    HB3  PHE  19          1HB       PHE  19  -2.135  -1.064  -3.848
  166    HD1  PHE  19           HD1      PHE  19  -0.119  -0.443  -5.120
  167    HD2  PHE  19           HD2      PHE  19  -1.632  -4.414  -5.061
  168    HE1  PHE  19           HE1      PHE  19   1.200  -0.966  -7.134
  169    HE2  PHE  19           HE2      PHE  19  -0.314  -4.952  -7.076
  170    HZ   PHE  19           HZ       PHE  19   1.105  -3.228  -8.112
  171    H    LEU  20           H        LEU  20  -1.369   0.287  -2.368
  172    HA   LEU  20           HA       LEU  20   1.263   1.129  -2.971
  173    HB2  LEU  20          2HB       LEU  20  -1.180   2.515  -1.954
  174    HB3  LEU  20          1HB       LEU  20   0.350   3.367  -2.013
  175    HG   LEU  20           HG       LEU  20   0.450   2.815  -4.467
  176   HD11  LEU  20          1HD1      LEU  20  -1.138   0.943  -4.399
  177   HD12  LEU  20          2HD1      LEU  20  -1.564   2.160  -5.604
  178   HD13  LEU  20          3HD1      LEU  20  -2.440   2.087  -4.074
  179   HD21  LEU  20          1HD2      LEU  20  -1.152   4.570  -5.100
  180   HD22  LEU  20          2HD2      LEU  20  -0.179   5.021  -3.700
  181   HD23  LEU  20          3HD2      LEU  20  -1.847   4.497  -3.482
  182    H    GLY  21           H        GLY  21  -0.368   0.384   0.018
  183    HA2  GLY  21          2HA       GLY  21   1.493   1.524   1.805
  184    HA3  GLY  21          1HA       GLY  21   0.467   0.136   2.144
  185    H    CYS  22           H        CYS  22   1.486  -1.452  -0.026
  186    HA   CYS  22           HA       CYS  22   3.847  -2.521   1.181
  187    HB2  CYS  22          2HB       CYS  22   2.127  -3.937   0.090
  188    HB3  CYS  22          1HB       CYS  22   2.540  -3.217  -1.463
  189    HG   CYS  22           HG       CYS  22   3.601  -5.949  -0.608
  190    H    LYS  23           H        LYS  23   3.157  -0.300  -1.419
  191    HA   LYS  23           HA       LYS  23   5.864  -0.377  -2.426
  192    HB2  LYS  23          2HB       LYS  23   3.637   1.600  -2.937
  193    HB3  LYS  23          1HB       LYS  23   5.187   1.601  -3.761
  194    HG2  LYS  23          2HG       LYS  23   4.678  -0.646  -4.650
  195    HG3  LYS  23          1HG       LYS  23   3.088  -0.555  -3.888
  196    HD2  LYS  23          2HD       LYS  23   2.896   0.057  -6.217
  197    HD3  LYS  23          1HD       LYS  23   2.612   1.480  -5.215
  198    HE2  LYS  23          2HE       LYS  23   4.934   2.194  -5.601
  199    HE3  LYS  23          1HE       LYS  23   5.185   0.783  -6.628
  200    HZ1  LYS  23          1HZ       LYS  23   3.493   1.620  -8.129
  201    HZ2  LYS  23          2HZ       LYS  23   4.718   2.765  -7.924
  202    HZ3  LYS  23          3HZ       LYS  23   3.237   2.964  -7.140
  203    H    VAL  24           H        VAL  24   3.996   1.508  -0.175
  204    HA   VAL  24           HA       VAL  24   6.190   3.309   0.302
  205    HB   VAL  24           HB       VAL  24   3.527   3.014   1.683
  206   HG11  VAL  24          1HG1      VAL  24   3.928   5.045   2.839
  207   HG12  VAL  24          2HG1      VAL  24   5.447   5.290   1.984
  208   HG13  VAL  24          3HG1      VAL  24   5.300   3.981   3.153
  209   HG21  VAL  24          1HG2      VAL  24   3.034   5.127   0.490
  210   HG22  VAL  24          2HG2      VAL  24   3.328   3.763  -0.587
  211   HG23  VAL  24          3HG2      VAL  24   4.590   4.969  -0.331
  212    H    VAL  25           H        VAL  25   5.961   0.206   0.917
  213    HA   VAL  25           HA       VAL  25   7.400   0.343   3.448
  214    HB   VAL  25           HB       VAL  25   5.932  -1.662   2.378
  215   HG11  VAL  25          1HG1      VAL  25   7.479  -3.472   1.686
  216   HG12  VAL  25          2HG1      VAL  25   8.786  -2.281   1.643
  217   HG13  VAL  25          3HG1      VAL  25   7.410  -2.125   0.546
  218   HG21  VAL  25          1HG2      VAL  25   8.288  -1.969   4.227
  219   HG22  VAL  25          2HG2      VAL  25   6.989  -3.146   4.029
  220   HG23  VAL  25          3HG2      VAL  25   6.635  -1.545   4.679
  221    H    VAL  26           H        VAL  26   7.846   0.392   0.064
  222    HA   VAL  26           HA       VAL  26  10.535  -0.540  -0.059
  223    HB   VAL  26           HB       VAL  26   8.883   0.948  -2.082
  224   HG11  VAL  26          1HG1      VAL  26  11.396  -0.689  -2.448
  225   HG12  VAL  26          2HG1      VAL  26  11.270   1.065  -2.572
  226   HG13  VAL  26          3HG1      VAL  26  10.442   0.037  -3.743
  227   HG21  VAL  26          1HG2      VAL  26   7.818  -1.138  -1.442
  228   HG22  VAL  26          2HG2      VAL  26   9.318  -2.022  -1.728
  229   HG23  VAL  26          3HG2      VAL  26   8.466  -1.268  -3.076
  230    H    LEU  27           H        LEU  27   8.957   2.539  -0.501
  231    HA   LEU  27           HA       LEU  27  11.241   4.025  -0.971
  232    HB2  LEU  27          2HB       LEU  27   9.919   5.947  -0.862
  233    HB3  LEU  27          1HB       LEU  27   8.885   4.680  -1.470
  234    HG   LEU  27           HG       LEU  27   8.664   6.283   0.989
  235   HD11  LEU  27          1HD1      LEU  27   6.713   4.889  -0.823
  236   HD12  LEU  27          2HD1      LEU  27   7.200   6.584  -0.921
  237   HD13  LEU  27          3HD1      LEU  27   6.292   6.002   0.477
  238   HD21  LEU  27          1HD2      LEU  27   8.949   4.252   2.125
  239   HD22  LEU  27          2HD2      LEU  27   8.033   3.353   0.916
  240   HD23  LEU  27          3HD2      LEU  27   7.204   4.480   1.996
  241    H    LEU  28           H        LEU  28  10.087   2.716   1.956
  242    HA   LEU  28           HA       LEU  28  11.517   4.417   3.757
  243    HB2  LEU  28          2HB       LEU  28  10.675   1.536   4.100
  244    HB3  LEU  28          1HB       LEU  28  11.193   2.612   5.381
  245    HG   LEU  28           HG       LEU  28   8.693   2.955   3.726
  246   HD11  LEU  28          1HD1      LEU  28   7.515   2.293   5.737
  247   HD12  LEU  28          2HD1      LEU  28   9.043   2.056   6.581
  248   HD13  LEU  28          3HD1      LEU  28   8.614   1.016   5.223
  249   HD21  LEU  28          1HD2      LEU  28   9.699   4.463   6.141
  250   HD22  LEU  28          2HD2      LEU  28   8.124   4.678   5.377
  251   HD23  LEU  28          3HD2      LEU  28   9.595   5.087   4.495
  252    H    LYS  29           H        LYS  29  12.165   1.348   2.142
  253    HA   LYS  29           HA       LYS  29  14.717   0.902   3.301
  254    HB2  LYS  29          2HB       LYS  29  13.831  -0.096   0.597
  255    HB3  LYS  29          1HB       LYS  29  14.972  -0.845   1.700
  256    HG2  LYS  29          2HG       LYS  29  12.004  -0.596   2.139
  257    HG3  LYS  29          1HG       LYS  29  12.859  -2.049   1.627
  258    HD2  LYS  29          2HD       LYS  29  14.109  -2.038   3.743
  259    HD3  LYS  29          1HD       LYS  29  13.214  -0.602   4.251
  260    HE2  LYS  29          2HE       LYS  29  11.121  -1.853   4.121
  261    HE3  LYS  29          1HE       LYS  29  12.000  -3.286   3.592
  262    HZ1  LYS  29          1HZ       LYS  29  13.162  -3.308   5.709
  263    HZ2  LYS  29          2HZ       LYS  29  11.490  -3.379   5.947
  264    HZ3  LYS  29          3HZ       LYS  29  12.319  -1.931   6.212
  265    H    ARG  30           H        ARG  30  13.575   2.455   0.361
  266    HA   ARG  30           HA       ARG  30  16.228   3.672   0.010
  267    HB2  ARG  30          2HB       ARG  30  14.559   2.293  -2.086
  268    HB3  ARG  30          1HB       ARG  30  15.754   3.508  -2.513
  269    HG2  ARG  30          2HG       ARG  30  17.517   2.171  -1.554
  270    HG3  ARG  30          1HG       ARG  30  16.344   0.977  -0.993
  271    HD2  ARG  30          2HD       ARG  30  16.770   1.718  -3.885
  272    HD3  ARG  30          1HD       ARG  30  17.539   0.343  -3.092
  273    HE   ARG  30           HE       ARG  30  14.843   0.054  -2.630
  274   HH11  ARG  30          1HH1      ARG  30  16.895   0.251  -5.463
  275   HH12  ARG  30          2HH1      ARG  30  15.870  -0.757  -6.429
  276   HH21  ARG  30          1HH2      ARG  30  13.498  -1.274  -3.891
  277   HH22  ARG  30          2HH2      ARG  30  13.927  -1.620  -5.536
  Start of MODEL    4
    1    H1   MET   1          1H        MET   1 -19.427   1.527  12.453
    2    H2   MET   1          2H        MET   1 -20.038   0.807  11.054
    3    H3   MET   1          3H        MET   1 -18.749   0.092  11.875
    4    HA   MET   1           HA       MET   1 -20.763  -1.105  12.297
    5    HB2  MET   1          2HB       MET   1 -20.749  -1.029  14.762
    6    HB3  MET   1          1HB       MET   1 -19.127  -1.061  14.088
    7    HG2  MET   1          2HG       MET   1 -18.833   1.274  14.526
    8    HG3  MET   1          1HG       MET   1 -20.517   1.441  15.012
    9    HE1  MET   1          1HE       MET   1 -17.839   2.346  16.699
   10    HE2  MET   1          2HE       MET   1 -18.385   1.936  18.326
   11    HE3  MET   1          3HE       MET   1 -19.493   2.710  17.197
   12    H    ALA   2           H        ALA   2 -21.059   2.334  12.759
   13    HA   ALA   2           HA       ALA   2 -23.959   1.975  13.131
   14    HB1  ALA   2          1HB       ALA   2 -23.988   4.049  14.416
   15    HB2  ALA   2          2HB       ALA   2 -22.240   4.197  14.228
   16    HB3  ALA   2          3HB       ALA   2 -22.918   2.858  15.155
   17    H    THR   3           H        THR   3 -22.123   2.398  10.747
   18    HA   THR   3           HA       THR   3 -22.871   4.996   9.746
   19    HB   THR   3           HB       THR   3 -21.560   2.725   8.246
   20    HG1  THR   3           HG1      THR   3 -20.127   4.870   9.382
   21   HG21  THR   3          1HG2      THR   3 -20.652   4.544   6.858
   22   HG22  THR   3          2HG2      THR   3 -21.567   5.714   7.806
   23   HG23  THR   3          3HG2      THR   3 -22.414   4.518   6.824
   24    H    LYS   4           H        LYS   4 -24.575   5.433   8.454
   25    HA   LYS   4           HA       LYS   4 -26.510   3.386   7.921
   26    HB2  LYS   4          2HB       LYS   4 -26.408   6.270   7.014
   27    HB3  LYS   4          1HB       LYS   4 -27.791   5.200   6.835
   28    HG2  LYS   4          2HG       LYS   4 -28.000   5.031   9.250
   29    HG3  LYS   4          1HG       LYS   4 -26.580   6.048   9.456
   30    HD2  LYS   4          2HD       LYS   4 -28.523   7.408   9.777
   31    HD3  LYS   4          1HD       LYS   4 -27.778   7.864   8.243
   32    HE2  LYS   4          2HE       LYS   4 -29.403   6.518   7.038
   33    HE3  LYS   4          1HE       LYS   4 -30.124   5.999   8.559
   34    HZ1  LYS   4          1HZ       LYS   4 -30.025   8.804   7.583
   35    HZ2  LYS   4          2HZ       LYS   4 -30.759   8.275   9.011
   36    HZ3  LYS   4          3HZ       LYS   4 -31.379   7.792   7.514
   37    H    HIS   5           H        HIS   5 -25.004   2.035   6.676
   38    HA   HIS   5           HA       HIS   5 -24.289   1.100   4.739
   39    HB2  HIS   5          2HB       HIS   5 -26.663   1.364   4.113
   40    HB3  HIS   5          1HB       HIS   5 -26.314   2.966   3.478
   41    HD1  HIS   5           HD1      HIS   5 -25.505  -0.668   2.795
   42    HD2  HIS   5           HD2      HIS   5 -25.501   3.011   0.866
   43    HE1  HIS   5           HE1      HIS   5 -25.020  -1.174   0.379
   44    HE2  HIS   5           HE2      HIS   5 -24.877   1.079  -0.738
   45    H    GLY   6           H        GLY   6 -22.244   2.214   5.221
   46    HA2  GLY   6          2HA       GLY   6 -21.383   3.720   2.913
   47    HA3  GLY   6          1HA       GLY   6 -21.374   4.645   4.406
   48    H    LYS   7           H        LYS   7 -20.763   1.349   4.922
   49    HA   LYS   7           HA       LYS   7 -17.867   1.852   4.902
   50    HB2  LYS   7          2HB       LYS   7 -19.520   0.424   6.978
   51    HB3  LYS   7          1HB       LYS   7 -17.778   0.255   6.872
   52    HG2  LYS   7          2HG       LYS   7 -19.293   2.795   7.389
   53    HG3  LYS   7          1HG       LYS   7 -18.378   1.871   8.571
   54    HD2  LYS   7          2HD       LYS   7 -17.275   3.287   6.145
   55    HD3  LYS   7          1HD       LYS   7 -17.122   3.813   7.821
   56    HE2  LYS   7          2HE       LYS   7 -16.065   1.213   6.751
   57    HE3  LYS   7          1HE       LYS   7 -15.103   2.678   6.911
   58    HZ1  LYS   7          1HZ       LYS   7 -16.414   1.190   9.120
   59    HZ2  LYS   7          2HZ       LYS   7 -15.558   2.636   9.304
   60    HZ3  LYS   7          3HZ       LYS   7 -14.755   1.240   8.793
   61    H    ASN   8           H        ASN   8 -18.447   0.874   2.671
   62    HA   ASN   8           HA       ASN   8 -17.763  -1.967   2.882
   63    HB2  ASN   8          2HB       ASN   8 -20.182  -1.878   2.475
   64    HB3  ASN   8          1HB       ASN   8 -19.910  -0.880   1.052
   65   HD21  ASN   8          1HD2      ASN   8 -20.090  -3.821  -0.776
   66   HD22  ASN   8          2HD2      ASN   8 -20.812  -2.303  -0.367
   67    H    SER   9           H        SER   9 -18.158   0.785   0.681
   68    HA   SER   9           HA       SER   9 -16.593  -0.359  -1.380
   69    HB2  SER   9          2HB       SER   9 -18.401   1.364  -1.691
   70    HB3  SER   9          1HB       SER   9 -17.285   2.558  -1.035
   71    HG   SER   9           HG       SER   9 -16.974   1.014  -3.396
   72    H    TRP  10           H        TRP  10 -15.676   1.145   1.508
   73    HA   TRP  10           HA       TRP  10 -13.295   2.386   0.687
   74    HB2  TRP  10          2HB       TRP  10 -12.467   1.978   2.981
   75    HB3  TRP  10          1HB       TRP  10 -14.012   2.743   2.961
   76    HD1  TRP  10           HD1      TRP  10 -16.153   1.140   3.662
   77    HE1  TRP  10           HE1      TRP  10 -16.140  -0.886   5.294
   78    HE3  TRP  10           HE3      TRP  10 -11.254   0.147   3.493
   79    HZ2  TRP  10           HZ2      TRP  10 -14.165  -2.666   6.352
   80    HZ3  TRP  10           HZ3      TRP  10 -10.334  -1.656   4.805
   81    HH2  TRP  10           HH2      TRP  10 -11.747  -3.075   6.202
   82    H    LYS  11           H        LYS  11 -14.071  -0.990   1.255
   83    HA   LYS  11           HA       LYS  11 -11.471  -1.937   1.672
   84    HB2  LYS  11          2HB       LYS  11 -13.996  -3.127   0.638
   85    HB3  LYS  11          1HB       LYS  11 -12.495  -4.007   0.487
   86    HG2  LYS  11          2HG       LYS  11 -12.162  -4.023   2.846
   87    HG3  LYS  11          1HG       LYS  11 -13.518  -2.922   3.083
   88    HD2  LYS  11          2HD       LYS  11 -13.822  -5.653   1.858
   89    HD3  LYS  11          1HD       LYS  11 -13.953  -5.356   3.592
   90    HE2  LYS  11          2HE       LYS  11 -15.758  -3.736   3.144
   91    HE3  LYS  11          1HE       LYS  11 -15.660  -4.134   1.431
   92    HZ1  LYS  11          1HZ       LYS  11 -16.327  -6.365   1.897
   93    HZ2  LYS  11          2HZ       LYS  11 -17.439  -5.323   2.630
   94    HZ3  LYS  11          3HZ       LYS  11 -16.266  -6.101   3.567
   95    H    THR  12           H        THR  12 -13.217  -1.184  -1.209
   96    HA   THR  12           HA       THR  12 -11.377  -2.101  -3.133
   97    HB   THR  12           HB       THR  12 -13.723  -0.335  -2.950
   98    HG1  THR  12           HG1      THR  12 -13.884  -1.767  -5.085
   99   HG21  THR  12          1HG2      THR  12 -13.567   0.479  -5.233
  100   HG22  THR  12          2HG2      THR  12 -11.965  -0.241  -5.404
  101   HG23  THR  12          3HG2      THR  12 -12.222   1.089  -4.272
  102    H    LEU  13           H        LEU  13 -11.769   0.939  -1.394
  103    HA   LEU  13           HA       LEU  13  -9.536   2.325  -2.497
  104    HB2  LEU  13          2HB       LEU  13 -10.691   3.898  -1.340
  105    HB3  LEU  13          1HB       LEU  13 -11.528   2.678  -0.401
  106    HG   LEU  13           HG       LEU  13  -8.838   2.953   0.561
  107   HD11  LEU  13          1HD1      LEU  13  -8.968   5.242   1.403
  108   HD12  LEU  13          2HD1      LEU  13 -10.454   5.494   0.487
  109   HD13  LEU  13          3HD1      LEU  13  -8.935   5.204  -0.359
  110   HD21  LEU  13          1HD2      LEU  13 -11.528   3.543   1.813
  111   HD22  LEU  13          2HD2      LEU  13 -10.003   3.402   2.687
  112   HD23  LEU  13          3HD2      LEU  13 -10.678   1.997   1.859
  113    H    TYR  14           H        TYR  14 -10.011  -0.015  -0.022
  114    HA   TYR  14           HA       TYR  14  -7.763   0.683   1.548
  115    HB2  TYR  14          2HB       TYR  14  -9.849  -0.323   2.427
  116    HB3  TYR  14          1HB       TYR  14  -9.414  -1.837   1.637
  117    HD1  TYR  14           HD1      TYR  14  -7.601  -3.166   2.428
  118    HD2  TYR  14           HD2      TYR  14  -8.652   0.478   4.335
  119    HE1  TYR  14           HE1      TYR  14  -6.134  -3.760   4.275
  120    HE2  TYR  14           HE2      TYR  14  -7.167  -0.088   6.223
  121    HH   TYR  14           HH       TYR  14  -6.207  -2.154   7.265
  122    H    LEU  15           H        LEU  15  -8.410  -1.874  -0.793
  123    HA   LEU  15           HA       LEU  15  -5.882  -3.120  -0.251
  124    HB2  LEU  15          2HB       LEU  15  -7.683  -3.684  -2.590
  125    HB3  LEU  15          1HB       LEU  15  -6.486  -4.729  -1.844
  126    HG   LEU  15           HG       LEU  15  -8.918  -3.809  -0.362
  127   HD11  LEU  15          1HD1      LEU  15  -9.923  -5.975  -0.898
  128   HD12  LEU  15          2HD1      LEU  15  -8.567  -6.336  -1.966
  129   HD13  LEU  15          3HD1      LEU  15  -9.659  -5.007  -2.348
  130   HD21  LEU  15          1HD2      LEU  15  -7.036  -6.128   0.042
  131   HD22  LEU  15          2HD2      LEU  15  -8.416  -5.716   1.061
  132   HD23  LEU  15          3HD2      LEU  15  -7.033  -4.626   0.966
  133    H    LYS  16           H        LYS  16  -7.032  -0.557  -2.059
  134    HA   LYS  16           HA       LYS  16  -4.824  -0.349  -3.876
  135    HB2  LYS  16          2HB       LYS  16  -6.841   0.798  -4.479
  136    HB3  LYS  16          1HB       LYS  16  -6.990   1.512  -2.888
  137    HG2  LYS  16          2HG       LYS  16  -4.660   2.224  -4.604
  138    HG3  LYS  16          1HG       LYS  16  -6.239   2.959  -4.901
  139    HD2  LYS  16          2HD       LYS  16  -6.299   3.618  -2.498
  140    HD3  LYS  16          1HD       LYS  16  -4.647   3.024  -2.343
  141    HE2  LYS  16          2HE       LYS  16  -4.643   5.432  -2.667
  142    HE3  LYS  16          1HE       LYS  16  -3.921   4.627  -4.060
  143    HZ1  LYS  16          1HZ       LYS  16  -5.992   4.892  -5.255
  144    HZ2  LYS  16          2HZ       LYS  16  -5.436   6.395  -4.721
  145    HZ3  LYS  16          3HZ       LYS  16  -6.710   5.632  -3.917
  146    H    ILE  17           H        ILE  17  -5.766   0.816  -0.707
  147    HA   ILE  17           HA       ILE  17  -3.543   2.370  -0.082
  148    HB   ILE  17           HB       ILE  17  -5.647   0.941   1.487
  149   HG12  ILE  17          2HG1      ILE  17  -4.878   3.850   1.241
  150   HG13  ILE  17          1HG1      ILE  17  -6.183   3.057   0.369
  151   HG21  ILE  17          1HG2      ILE  17  -4.800   1.753   3.584
  152   HG22  ILE  17          2HG2      ILE  17  -3.404   2.474   2.772
  153   HG23  ILE  17          3HG2      ILE  17  -3.599   0.720   2.805
  154   HD11  ILE  17          1HD1      ILE  17  -7.026   4.349   2.236
  155   HD12  ILE  17          2HD1      ILE  17  -6.019   3.426   3.349
  156   HD13  ILE  17          3HD1      ILE  17  -7.328   2.630   2.479
  157    H    SER  18           H        SER  18  -4.296  -1.019   0.585
  158    HA   SER  18           HA       SER  18  -1.925  -1.724   1.898
  159    HB2  SER  18          2HB       SER  18  -4.110  -3.077   1.611
  160    HB3  SER  18          1HB       SER  18  -3.426  -3.583   0.057
  161    HG   SER  18           HG       SER  18  -2.335  -5.000   1.132
  162    H    PHE  19           H        PHE  19  -2.786  -1.542  -1.473
  163    HA   PHE  19           HA       PHE  19  -0.583  -2.916  -2.546
  164    HB2  PHE  19          2HB       PHE  19  -2.696  -2.463  -3.756
  165    HB3  PHE  19          1HB       PHE  19  -2.274  -0.754  -3.813
  166    HD1  PHE  19           HD1      PHE  19  -0.834   0.088  -5.457
  167    HD2  PHE  19           HD2      PHE  19  -1.255  -4.106  -4.899
  168    HE1  PHE  19           HE1      PHE  19   0.415  -0.306  -7.551
  169    HE2  PHE  19           HE2      PHE  19  -0.009  -4.515  -6.993
  170    HZ   PHE  19           HZ       PHE  19   0.828  -2.613  -8.317
  171    H    LEU  20           H        LEU  20  -1.251   0.582  -2.442
  172    HA   LEU  20           HA       LEU  20   1.330   1.305  -3.346
  173    HB2  LEU  20          2HB       LEU  20  -0.754   2.907  -1.875
  174    HB3  LEU  20          1HB       LEU  20   0.703   3.588  -2.571
  175    HG   LEU  20           HG       LEU  20  -1.608   2.333  -4.036
  176   HD11  LEU  20          1HD1      LEU  20  -1.939   4.640  -3.309
  177   HD12  LEU  20          2HD1      LEU  20  -1.796   4.535  -5.064
  178   HD13  LEU  20          3HD1      LEU  20  -0.435   5.109  -4.101
  179   HD21  LEU  20          1HD2      LEU  20  -0.358   2.798  -6.087
  180   HD22  LEU  20          2HD2      LEU  20   0.462   1.617  -5.067
  181   HD23  LEU  20          3HD2      LEU  20   1.036   3.281  -5.121
  182    H    GLY  21           H        GLY  21  -0.100   0.898  -0.183
  183    HA2  GLY  21          2HA       GLY  21   2.003   1.927   1.372
  184    HA3  GLY  21          1HA       GLY  21   0.852   0.706   1.899
  185    H    CYS  22           H        CYS  22   1.545  -1.234  -0.096
  186    HA   CYS  22           HA       CYS  22   3.772  -2.473   1.148
  187    HB2  CYS  22          2HB       CYS  22   1.935  -3.766   0.172
  188    HB3  CYS  22          1HB       CYS  22   2.345  -3.168  -1.431
  189    HG   CYS  22           HG       CYS  22   5.103  -4.396  -0.593
  190    H    LYS  23           H        LYS  23   3.439  -0.329  -1.550
  191    HA   LYS  23           HA       LYS  23   6.126  -0.927  -2.495
  192    HB2  LYS  23          2HB       LYS  23   4.323  -0.506  -4.140
  193    HB3  LYS  23          1HB       LYS  23   4.147   1.121  -3.501
  194    HG2  LYS  23          2HG       LYS  23   6.206   1.810  -4.359
  195    HG3  LYS  23          1HG       LYS  23   6.766   0.154  -4.586
  196    HD2  LYS  23          2HD       LYS  23   6.195   1.175  -6.725
  197    HD3  LYS  23          1HD       LYS  23   5.113  -0.167  -6.359
  198    HE2  LYS  23          2HE       LYS  23   3.824   1.646  -7.254
  199    HE3  LYS  23          1HE       LYS  23   3.439   1.467  -5.543
  200    HZ1  LYS  23          1HZ       LYS  23   5.291   3.483  -6.693
  201    HZ2  LYS  23          2HZ       LYS  23   4.905   3.325  -5.057
  202    HZ3  LYS  23          3HZ       LYS  23   3.714   3.785  -6.165
  203    H    VAL  24           H        VAL  24   4.364   1.538  -0.767
  204    HA   VAL  24           HA       VAL  24   6.760   3.152  -0.526
  205    HB   VAL  24           HB       VAL  24   3.962   3.586   0.500
  206   HG11  VAL  24          1HG1      VAL  24   4.572   5.812   1.090
  207   HG12  VAL  24          2HG1      VAL  24   6.199   5.567   0.468
  208   HG13  VAL  24          3HG1      VAL  24   5.674   4.701   1.905
  209   HG21  VAL  24          1HG2      VAL  24   5.505   4.741  -1.798
  210   HG22  VAL  24          2HG2      VAL  24   3.926   5.326  -1.260
  211   HG23  VAL  24          3HG2      VAL  24   4.092   3.686  -1.889
  212    H    VAL  25           H        VAL  25   5.913   0.389   0.841
  213    HA   VAL  25           HA       VAL  25   7.157   1.029   3.398
  214    HB   VAL  25           HB       VAL  25   5.416  -0.872   2.954
  215   HG11  VAL  25          1HG1      VAL  25   6.427  -3.053   2.471
  216   HG12  VAL  25          2HG1      VAL  25   7.966  -2.253   2.137
  217   HG13  VAL  25          3HG1      VAL  25   6.566  -1.938   1.110
  218   HG21  VAL  25          1HG2      VAL  25   7.899  -1.375   4.580
  219   HG22  VAL  25          2HG2      VAL  25   6.355  -2.204   4.772
  220   HG23  VAL  25          3HG2      VAL  25   6.473  -0.476   5.099
  221    H    VAL  26           H        VAL  26   7.859   0.158   0.202
  222    HA   VAL  26           HA       VAL  26  10.356  -1.143   0.604
  223    HB   VAL  26           HB       VAL  26   9.057  -0.032  -1.867
  224   HG11  VAL  26          1HG1      VAL  26  10.651  -1.379  -3.143
  225   HG12  VAL  26          2HG1      VAL  26  11.432  -1.889  -1.648
  226   HG13  VAL  26          3HG1      VAL  26  11.492  -0.196  -2.138
  227   HG21  VAL  26          1HG2      VAL  26   9.234  -2.848  -0.796
  228   HG22  VAL  26          2HG2      VAL  26   8.538  -2.392  -2.351
  229   HG23  VAL  26          3HG2      VAL  26   7.792  -1.835  -0.852
  230    H    LEU  27           H        LEU  27   9.376   1.928  -0.757
  231    HA   LEU  27           HA       LEU  27  11.921   2.897  -1.212
  232    HB2  LEU  27          2HB       LEU  27  10.981   4.994  -1.658
  233    HB3  LEU  27          1HB       LEU  27   9.802   3.802  -2.152
  234    HG   LEU  27           HG       LEU  27   9.604   5.923  -0.125
  235   HD11  LEU  27          1HD1      LEU  27   7.570   4.441  -1.769
  236   HD12  LEU  27          2HD1      LEU  27   8.434   5.888  -2.298
  237   HD13  LEU  27          3HD1      LEU  27   7.337   5.968  -0.919
  238   HD21  LEU  27          1HD2      LEU  27   7.771   4.636   1.029
  239   HD22  LEU  27          2HD2      LEU  27   9.427   4.178   1.427
  240   HD23  LEU  27          3HD2      LEU  27   8.482   3.179   0.325
  241    H    LEU  28           H        LEU  28  10.292   2.469   1.738
  242    HA   LEU  28           HA       LEU  28  11.924   4.294   3.264
  243    HB2  LEU  28          2HB       LEU  28  10.165   2.020   4.186
  244    HB3  LEU  28          1HB       LEU  28  10.898   3.224   5.224
  245    HG   LEU  28           HG       LEU  28   8.775   3.729   3.145
  246   HD11  LEU  28          1HD1      LEU  28   7.932   2.581   5.112
  247   HD12  LEU  28          2HD1      LEU  28   7.360   4.249   5.067
  248   HD13  LEU  28          3HD1      LEU  28   8.673   3.796   6.154
  249   HD21  LEU  28          1HD2      LEU  28  10.279   5.634   3.306
  250   HD22  LEU  28          2HD2      LEU  28  10.117   5.632   5.062
  251   HD23  LEU  28          3HD2      LEU  28   8.726   6.014   4.050
  252    H    LYS  29           H        LYS  29  11.621   0.700   3.290
  253    HA   LYS  29           HA       LYS  29  14.482   0.578   3.824
  254    HB2  LYS  29          2HB       LYS  29  14.362  -0.692   5.807
  255    HB3  LYS  29          1HB       LYS  29  13.271   0.666   6.034
  256    HG2  LYS  29          2HG       LYS  29  12.425  -2.119   5.249
  257    HG3  LYS  29          1HG       LYS  29  12.364  -1.458   6.885
  258    HD2  LYS  29          2HD       LYS  29  11.018  -0.112   4.584
  259    HD3  LYS  29          1HD       LYS  29  10.217  -1.408   5.482
  260    HE2  LYS  29          2HE       LYS  29  11.264   1.181   6.632
  261    HE3  LYS  29          1HE       LYS  29   9.573   0.803   6.314
  262    HZ1  LYS  29          1HZ       LYS  29   9.990   0.452   8.610
  263    HZ2  LYS  29          2HZ       LYS  29  11.354  -0.493   8.298
  264    HZ3  LYS  29          3HZ       LYS  29   9.817  -1.075   7.903
  265    H    ARG  30           H        ARG  30  12.402  -0.312   1.764
  266    HA   ARG  30           HA       ARG  30  11.960  -2.053   0.388
  267    HB2  ARG  30          2HB       ARG  30  14.769  -2.675   1.237
  268    HB3  ARG  30          1HB       ARG  30  13.930  -3.612   0.008
  269    HG2  ARG  30          2HG       ARG  30  13.677  -1.604  -1.353
  270    HG3  ARG  30          1HG       ARG  30  14.493  -0.654  -0.110
  271    HD2  ARG  30          2HD       ARG  30  15.688  -2.951  -1.658
  272    HD3  ARG  30          1HD       ARG  30  16.013  -1.241  -1.933
  273    HE   ARG  30           HE       ARG  30  16.571  -1.884   0.749
  274   HH11  ARG  30          1HH1      ARG  30  17.827  -2.445  -2.467
  275   HH12  ARG  30          2HH1      ARG  30  19.470  -2.596  -1.940
  276   HH21  ARG  30          1HH2      ARG  30  18.720  -2.100   1.455
  277   HH22  ARG  30          2HH2      ARG  30  19.982  -2.392   0.301
  Start of MODEL    5
    1    H1   MET   1          1H        MET   1 -26.742  -7.597   7.762
    2    H2   MET   1          2H        MET   1 -25.992  -8.012   6.308
    3    H3   MET   1          3H        MET   1 -26.869  -9.174   7.166
    4    HA   MET   1           HA       MET   1 -28.099  -8.381   5.254
    5    HB2  MET   1          2HB       MET   1 -29.169  -7.625   7.973
    6    HB3  MET   1          1HB       MET   1 -30.154  -7.615   6.521
    7    HG2  MET   1          2HG       MET   1 -28.762 -10.001   7.710
    8    HG3  MET   1          1HG       MET   1 -30.487  -9.654   7.780
    9    HE1  MET   1          1HE       MET   1 -31.032 -12.083   6.804
   10    HE2  MET   1          2HE       MET   1 -29.302 -12.422   6.773
   11    HE3  MET   1          3HE       MET   1 -30.288 -12.725   5.341
   12    H    ALA   2           H        ALA   2 -29.796  -6.435   4.898
   13    HA   ALA   2           HA       ALA   2 -29.995  -4.337   4.047
   14    HB1  ALA   2          1HB       ALA   2 -29.377  -2.492   5.506
   15    HB2  ALA   2          2HB       ALA   2 -28.375  -3.572   6.476
   16    HB3  ALA   2          3HB       ALA   2 -30.125  -3.792   6.434
   17    H    THR   3           H        THR   3 -28.012  -5.811   2.857
   18    HA   THR   3           HA       THR   3 -26.186  -5.701   1.509
   19    HB   THR   3           HB       THR   3 -26.341  -2.707   1.673
   20    HG1  THR   3           HG1      THR   3 -28.348  -4.356   1.024
   21   HG21  THR   3          1HG2      THR   3 -25.666  -2.843  -0.672
   22   HG22  THR   3          2HG2      THR   3 -25.721  -4.603  -0.593
   23   HG23  THR   3          3HG2      THR   3 -24.526  -3.716   0.351
   24    H    LYS   4           H        LYS   4 -25.594  -6.107   4.091
   25    HA   LYS   4           HA       LYS   4 -23.922  -6.136   5.623
   26    HB2  LYS   4          2HB       LYS   4 -22.345  -4.910   3.355
   27    HB3  LYS   4          1HB       LYS   4 -21.639  -5.545   4.835
   28    HG2  LYS   4          2HG       LYS   4 -22.487  -7.765   4.301
   29    HG3  LYS   4          1HG       LYS   4 -23.219  -7.135   2.825
   30    HD2  LYS   4          2HD       LYS   4 -20.272  -7.141   3.469
   31    HD3  LYS   4          1HD       LYS   4 -21.088  -8.260   2.377
   32    HE2  LYS   4          2HE       LYS   4 -21.764  -6.343   0.975
   33    HE3  LYS   4          1HE       LYS   4 -20.860  -5.271   2.042
   34    HZ1  LYS   4          1HZ       LYS   4 -19.550  -5.815   0.121
   35    HZ2  LYS   4          2HZ       LYS   4 -19.738  -7.470   0.396
   36    HZ3  LYS   4          3HZ       LYS   4 -18.847  -6.528   1.483
   37    H    HIS   5           H        HIS   5 -25.685  -3.833   5.447
   38    HA   HIS   5           HA       HIS   5 -26.056  -1.936   6.629
   39    HB2  HIS   5          2HB       HIS   5 -24.657  -3.064   8.382
   40    HB3  HIS   5          1HB       HIS   5 -23.251  -2.235   7.726
   41    HD1  HIS   5           HD1      HIS   5 -22.681  -0.185   8.977
   42    HD2  HIS   5           HD2      HIS   5 -26.751  -0.998   9.114
   43    HE1  HIS   5           HE1      HIS   5 -23.679   1.608  10.429
   44    HE2  HIS   5           HE2      HIS   5 -26.164   1.217  10.300
   45    H    GLY   6           H        GLY   6 -24.090  -2.204   4.108
   46    HA2  GLY   6          2HA       GLY   6 -23.460  -0.623   2.541
   47    HA3  GLY   6          1HA       GLY   6 -23.989   0.639   3.650
   48    H    LYS   7           H        LYS   7 -21.995   1.736   2.980
   49    HA   LYS   7           HA       LYS   7 -19.849   2.398   3.297
   50    HB2  LYS   7          2HB       LYS   7 -20.981   2.127   5.687
   51    HB3  LYS   7          1HB       LYS   7 -19.747   0.894   5.867
   52    HG2  LYS   7          2HG       LYS   7 -19.009   3.645   4.962
   53    HG3  LYS   7          1HG       LYS   7 -19.301   3.313   6.664
   54    HD2  LYS   7          2HD       LYS   7 -17.310   1.847   4.938
   55    HD3  LYS   7          1HD       LYS   7 -16.910   3.175   6.026
   56    HE2  LYS   7          2HE       LYS   7 -17.774   1.845   7.916
   57    HE3  LYS   7          1HE       LYS   7 -18.084   0.509   6.812
   58    HZ1  LYS   7          1HZ       LYS   7 -15.721   0.415   6.318
   59    HZ2  LYS   7          2HZ       LYS   7 -15.995   0.220   7.975
   60    HZ3  LYS   7          3HZ       LYS   7 -15.424   1.697   7.383
   61    H    ASN   8           H        ASN   8 -19.728   0.535   1.544
   62    HA   ASN   8           HA       ASN   8 -17.728  -1.432   2.457
   63    HB2  ASN   8          2HB       ASN   8 -19.756  -1.726   0.231
   64    HB3  ASN   8          1HB       ASN   8 -18.530  -2.914   0.649
   65   HD21  ASN   8          1HD2      ASN   8 -20.316  -3.283   3.945
   66   HD22  ASN   8          2HD2      ASN   8 -18.796  -2.588   3.506
   67    H    SER   9           H        SER   9 -18.157   1.308   0.647
   68    HA   SER   9           HA       SER   9 -16.797   0.699  -1.749
   69    HB2  SER   9          2HB       SER   9 -17.064   3.385  -0.385
   70    HB3  SER   9          1HB       SER   9 -16.686   3.110  -2.085
   71    HG   SER   9           HG       SER   9 -18.740   2.234  -2.368
   72    H    TRP  10           H        TRP  10 -15.719   1.592   1.419
   73    HA   TRP  10           HA       TRP  10 -13.191   2.587   0.781
   74    HB2  TRP  10          2HB       TRP  10 -12.548   2.049   3.071
   75    HB3  TRP  10          1HB       TRP  10 -14.105   2.800   3.046
   76    HD1  TRP  10           HD1      TRP  10 -16.261   1.062   3.442
   77    HE1  TRP  10           HE1      TRP  10 -16.287  -1.132   4.838
   78    HE3  TRP  10           HE3      TRP  10 -11.327   0.289   3.581
   79    HZ2  TRP  10           HZ2      TRP  10 -14.306  -2.954   5.844
   80    HZ3  TRP  10           HZ3      TRP  10 -10.421  -1.619   4.747
   81    HH2  TRP  10           HH2      TRP  10 -11.868  -3.239   5.859
   82    H    LYS  11           H        LYS  11 -14.285  -0.746   1.061
   83    HA   LYS  11           HA       LYS  11 -11.853  -1.950   1.750
   84    HB2  LYS  11          2HB       LYS  11 -13.964  -3.084  -0.084
   85    HB3  LYS  11          1HB       LYS  11 -12.780  -3.954   0.861
   86    HG2  LYS  11          2HG       LYS  11 -13.829  -3.231   2.921
   87    HG3  LYS  11          1HG       LYS  11 -14.994  -2.280   1.997
   88    HD2  LYS  11          2HD       LYS  11 -15.946  -4.411   2.728
   89    HD3  LYS  11          1HD       LYS  11 -15.854  -4.315   0.970
   90    HE2  LYS  11          2HE       LYS  11 -13.831  -5.638   0.980
   91    HE3  LYS  11          1HE       LYS  11 -13.853  -5.685   2.747
   92    HZ1  LYS  11          1HZ       LYS  11 -15.842  -6.913   0.912
   93    HZ2  LYS  11          2HZ       LYS  11 -16.008  -6.858   2.594
   94    HZ3  LYS  11          3HZ       LYS  11 -14.735  -7.728   1.900
   95    H    THR  12           H        THR  12 -13.180  -1.136  -1.343
   96    HA   THR  12           HA       THR  12 -11.150  -2.230  -2.973
   97    HB   THR  12           HB       THR  12 -13.592  -0.726  -3.108
   98    HG1  THR  12           HG1      THR  12 -12.498  -2.206  -5.255
   99   HG21  THR  12          1HG2      THR  12 -13.252   0.320  -5.314
  100   HG22  THR  12          2HG2      THR  12 -11.534  -0.074  -5.229
  101   HG23  THR  12          3HG2      THR  12 -12.241   1.056  -4.073
  102    H    LEU  13           H        LEU  13 -11.773   0.931  -1.571
  103    HA   LEU  13           HA       LEU  13  -9.512   2.343  -2.500
  104    HB2  LEU  13          2HB       LEU  13 -10.862   3.825  -1.429
  105    HB3  LEU  13          1HB       LEU  13 -11.599   2.559  -0.465
  106    HG   LEU  13           HG       LEU  13  -8.956   3.055   0.520
  107   HD11  LEU  13          1HD1      LEU  13 -10.701   5.499   0.314
  108   HD12  LEU  13          2HD1      LEU  13  -9.142   5.261  -0.474
  109   HD13  LEU  13          3HD1      LEU  13  -9.235   5.367   1.284
  110   HD21  LEU  13          1HD2      LEU  13 -10.805   2.053   1.806
  111   HD22  LEU  13          2HD2      LEU  13 -11.650   3.605   1.764
  112   HD23  LEU  13          3HD2      LEU  13 -10.114   3.463   2.616
  113    H    TYR  14           H        TYR  14 -10.061   0.039  -0.014
  114    HA   TYR  14           HA       TYR  14  -7.877   0.759   1.639
  115    HB2  TYR  14          2HB       TYR  14  -9.991  -0.195   2.459
  116    HB3  TYR  14          1HB       TYR  14  -9.598  -1.717   1.668
  117    HD1  TYR  14           HD1      TYR  14  -8.709   0.587   4.357
  118    HD2  TYR  14           HD2      TYR  14  -8.000  -3.186   2.556
  119    HE1  TYR  14           HE1      TYR  14  -7.336  -0.074   6.292
  120    HE2  TYR  14           HE2      TYR  14  -6.652  -3.888   4.464
  121    HH   TYR  14           HH       TYR  14  -5.398  -2.922   6.304
  122    H    LEU  15           H        LEU  15  -8.510  -1.924  -0.572
  123    HA   LEU  15           HA       LEU  15  -6.028  -3.192   0.011
  124    HB2  LEU  15          2HB       LEU  15  -7.712  -3.635  -2.443
  125    HB3  LEU  15          1HB       LEU  15  -6.579  -4.736  -1.678
  126    HG   LEU  15           HG       LEU  15  -9.067  -3.820  -0.290
  127   HD11  LEU  15          1HD1      LEU  15  -8.688  -6.272  -1.999
  128   HD12  LEU  15          2HD1      LEU  15  -9.742  -4.906  -2.355
  129   HD13  LEU  15          3HD1      LEU  15 -10.082  -5.946  -0.971
  130   HD21  LEU  15          1HD2      LEU  15  -7.287  -4.744   1.109
  131   HD22  LEU  15          2HD2      LEU  15  -7.261  -6.198   0.112
  132   HD23  LEU  15          3HD2      LEU  15  -8.692  -5.809   1.065
  133    H    LYS  16           H        LYS  16  -7.049  -0.602  -1.883
  134    HA   LYS  16           HA       LYS  16  -4.773  -0.462  -3.621
  135    HB2  LYS  16          2HB       LYS  16  -6.812   0.613  -4.328
  136    HB3  LYS  16          1HB       LYS  16  -6.969   1.445  -2.798
  137    HG2  LYS  16          2HG       LYS  16  -4.585   2.028  -4.460
  138    HG3  LYS  16          1HG       LYS  16  -6.149   2.691  -4.945
  139    HD2  LYS  16          2HD       LYS  16  -6.416   3.643  -2.697
  140    HD3  LYS  16          1HD       LYS  16  -4.825   3.019  -2.257
  141    HE2  LYS  16          2HE       LYS  16  -3.770   4.418  -3.922
  142    HE3  LYS  16          1HE       LYS  16  -5.337   4.957  -4.517
  143    HZ1  LYS  16          1HZ       LYS  16  -4.236   5.498  -1.814
  144    HZ2  LYS  16          2HZ       LYS  16  -5.741   6.016  -2.384
  145    HZ3  LYS  16          3HZ       LYS  16  -4.323   6.608  -3.085
  146    H    ILE  17           H        ILE  17  -5.842   0.876  -0.546
  147    HA   ILE  17           HA       ILE  17  -3.634   2.449   0.077
  148    HB   ILE  17           HB       ILE  17  -5.807   1.116   1.617
  149   HG12  ILE  17          2HG1      ILE  17  -4.886   3.987   1.426
  150   HG13  ILE  17          1HG1      ILE  17  -6.176   3.263   0.471
  151   HG21  ILE  17          1HG2      ILE  17  -3.564   2.558   3.000
  152   HG22  ILE  17          2HG2      ILE  17  -3.789   0.811   2.989
  153   HG23  ILE  17          3HG2      ILE  17  -5.002   1.847   3.742
  154   HD11  ILE  17          1HD1      ILE  17  -7.055   4.586   2.311
  155   HD12  ILE  17          2HD1      ILE  17  -6.172   3.587   3.464
  156   HD13  ILE  17          3HD1      ILE  17  -7.468   2.882   2.500
  157    H    SER  18           H        SER  18  -4.378  -0.925   0.766
  158    HA   SER  18           HA       SER  18  -2.029  -1.595   2.160
  159    HB2  SER  18          2HB       SER  18  -3.647  -3.424   0.370
  160    HB3  SER  18          1HB       SER  18  -2.662  -3.886   1.761
  161    HG   SER  18           HG       SER  18  -4.163  -2.439   2.981
  162    H    PHE  19           H        PHE  19  -2.725  -1.202  -1.205
  163    HA   PHE  19           HA       PHE  19  -0.539  -2.743  -2.200
  164    HB2  PHE  19          2HB       PHE  19  -2.683  -2.237  -3.436
  165    HB3  PHE  19          1HB       PHE  19  -2.088  -0.594  -3.652
  166    HD1  PHE  19           HD1      PHE  19  -0.211  -0.135  -5.126
  167    HD2  PHE  19           HD2      PHE  19  -1.742  -4.072  -4.613
  168    HE1  PHE  19           HE1      PHE  19   1.000  -0.861  -7.146
  169    HE2  PHE  19           HE2      PHE  19  -0.530  -4.811  -6.634
  170    HZ   PHE  19           HZ       PHE  19   0.843  -3.204  -7.899
  171    H    LEU  20           H        LEU  20  -1.193   0.768  -2.287
  172    HA   LEU  20           HA       LEU  20   1.457   1.413  -3.034
  173    HB2  LEU  20          2HB       LEU  20  -0.853   3.002  -2.004
  174    HB3  LEU  20          1HB       LEU  20   0.719   3.750  -2.184
  175    HG   LEU  20           HG       LEU  20   0.664   3.056  -4.604
  176   HD11  LEU  20          1HD1      LEU  20  -2.252   2.566  -4.066
  177   HD12  LEU  20          2HD1      LEU  20  -1.052   1.294  -4.274
  178   HD13  LEU  20          3HD1      LEU  20  -1.397   2.401  -5.604
  179   HD21  LEU  20          1HD2      LEU  20  -1.522   4.904  -3.656
  180   HD22  LEU  20          2HD2      LEU  20  -0.820   4.873  -5.273
  181   HD23  LEU  20          3HD2      LEU  20   0.172   5.338  -3.889
  182    H    GLY  21           H        GLY  21  -0.107   0.949   0.053
  183    HA2  GLY  21          2HA       GLY  21   1.970   2.027   1.658
  184    HA3  GLY  21          1HA       GLY  21   0.789   0.828   2.170
  185    H    CYS  22           H        CYS  22   1.607  -0.922  -0.102
  186    HA   CYS  22           HA       CYS  22   3.828  -2.239   1.192
  187    HB2  CYS  22          2HB       CYS  22   1.914  -3.533   0.295
  188    HB3  CYS  22          1HB       CYS  22   2.318  -2.980  -1.326
  189    HG   CYS  22           HG       CYS  22   5.033  -4.169  -0.837
  190    H    LYS  23           H        LYS  23   3.304  -0.043  -1.399
  191    HA   LYS  23           HA       LYS  23   5.891  -0.590  -2.594
  192    HB2  LYS  23          2HB       LYS  23   3.893   0.106  -3.956
  193    HB3  LYS  23          1HB       LYS  23   3.992   1.683  -3.186
  194    HG2  LYS  23          2HG       LYS  23   6.206   2.026  -4.136
  195    HG3  LYS  23          1HG       LYS  23   6.141   0.429  -4.882
  196    HD2  LYS  23          2HD       LYS  23   4.136   1.159  -6.148
  197    HD3  LYS  23          1HD       LYS  23   4.335   2.774  -5.467
  198    HE2  LYS  23          2HE       LYS  23   6.562   2.919  -6.495
  199    HE3  LYS  23          1HE       LYS  23   6.339   1.314  -7.188
  200    HZ1  LYS  23          1HZ       LYS  23   4.405   2.193  -8.397
  201    HZ2  LYS  23          2HZ       LYS  23   5.843   2.966  -8.830
  202    HZ3  LYS  23          3HZ       LYS  23   4.745   3.739  -7.804
  203    H    VAL  24           H        VAL  24   4.344   1.840  -0.604
  204    HA   VAL  24           HA       VAL  24   6.809   3.331  -0.372
  205    HB   VAL  24           HB       VAL  24   4.107   3.763   0.893
  206   HG11  VAL  24          1HG1      VAL  24   5.945   4.756   2.210
  207   HG12  VAL  24          2HG1      VAL  24   4.826   5.942   1.539
  208   HG13  VAL  24          3HG1      VAL  24   6.396   5.685   0.786
  209   HG21  VAL  24          1HG2      VAL  24   5.468   5.004  -1.472
  210   HG22  VAL  24          2HG2      VAL  24   3.968   5.606  -0.757
  211   HG23  VAL  24          3HG2      VAL  24   4.019   3.997  -1.481
  212    H    VAL  25           H        VAL  25   6.001   0.496   0.833
  213    HA   VAL  25           HA       VAL  25   7.293   0.933   3.413
  214    HB   VAL  25           HB       VAL  25   5.501  -0.870   2.896
  215   HG11  VAL  25          1HG1      VAL  25   7.968  -2.235   1.846
  216   HG12  VAL  25          2HG1      VAL  25   6.509  -1.839   0.937
  217   HG13  VAL  25          3HG1      VAL  25   6.447  -3.050   2.221
  218   HG21  VAL  25          1HG2      VAL  25   6.605  -0.711   5.028
  219   HG22  VAL  25          2HG2      VAL  25   8.023  -1.544   4.391
  220   HG23  VAL  25          3HG2      VAL  25   6.489  -2.405   4.550
  221    H    VAL  26           H        VAL  26   7.931   0.161   0.155
  222    HA   VAL  26           HA       VAL  26  10.395  -1.232   0.468
  223    HB   VAL  26           HB       VAL  26   9.158   0.104  -1.930
  224   HG11  VAL  26          1HG1      VAL  26  10.647  -1.309  -3.273
  225   HG12  VAL  26          2HG1      VAL  26  11.392  -1.927  -1.799
  226   HG13  VAL  26          3HG1      VAL  26  11.560  -0.225  -2.225
  227   HG21  VAL  26          1HG2      VAL  26   9.108  -2.791  -1.072
  228   HG22  VAL  26          2HG2      VAL  26   8.422  -2.144  -2.561
  229   HG23  VAL  26          3HG2      VAL  26   7.753  -1.665  -1.003
  230    H    LEU  27           H        LEU  27   9.450   1.939  -0.625
  231    HA   LEU  27           HA       LEU  27  12.012   2.842  -1.191
  232    HB2  LEU  27          2HB       LEU  27  11.075   4.939  -1.652
  233    HB3  LEU  27          1HB       LEU  27   9.871   3.750  -2.088
  234    HG   LEU  27           HG       LEU  27   9.753   5.907  -0.092
  235   HD11  LEU  27          1HD1      LEU  27   7.377   5.805  -0.768
  236   HD12  LEU  27          2HD1      LEU  27   7.763   4.429  -1.798
  237   HD13  LEU  27          3HD1      LEU  27   8.481   6.007  -2.130
  238   HD21  LEU  27          1HD2      LEU  27   7.994   4.699   1.187
  239   HD22  LEU  27          2HD2      LEU  27   9.636   4.114   1.451
  240   HD23  LEU  27          3HD2      LEU  27   8.539   3.206   0.415
  241    H    LEU  28           H        LEU  28  10.468   2.480   1.845
  242    HA   LEU  28           HA       LEU  28  12.374   4.280   3.171
  243    HB2  LEU  28          2HB       LEU  28  10.244   2.542   4.423
  244    HB3  LEU  28          1HB       LEU  28  11.185   3.777   5.229
  245    HG   LEU  28           HG       LEU  28   9.075   4.206   3.133
  246   HD11  LEU  28          1HD1      LEU  28   8.176   3.651   5.311
  247   HD12  LEU  28          2HD1      LEU  28   7.890   5.353   4.945
  248   HD13  LEU  28          3HD1      LEU  28   9.177   4.896   6.060
  249   HD21  LEU  28          1HD2      LEU  28   9.435   6.603   3.505
  250   HD22  LEU  28          2HD2      LEU  28  10.876   5.826   2.852
  251   HD23  LEU  28          3HD2      LEU  28  10.793   6.230   4.565
  252    H    LYS  29           H        LYS  29  11.715   0.996   2.486
  253    HA   LYS  29           HA       LYS  29  12.806  -0.963   2.834
  254    HB2  LYS  29          2HB       LYS  29  15.037   0.840   3.790
  255    HB3  LYS  29          1HB       LYS  29  15.191  -0.896   3.585
  256    HG2  LYS  29          2HG       LYS  29  14.461   0.994   1.363
  257    HG3  LYS  29          1HG       LYS  29  16.107   0.466   1.717
  258    HD2  LYS  29          2HD       LYS  29  15.396  -1.873   1.392
  259    HD3  LYS  29          1HD       LYS  29  13.784  -1.300   0.959
  260    HE2  LYS  29          2HE       LYS  29  14.634  -0.161  -0.967
  261    HE3  LYS  29          1HE       LYS  29  16.298  -0.488  -0.485
  262    HZ1  LYS  29          1HZ       LYS  29  15.575  -1.987  -2.226
  263    HZ2  LYS  29          2HZ       LYS  29  14.296  -2.533  -1.269
  264    HZ3  LYS  29          3HZ       LYS  29  15.890  -2.845  -0.805
  265    H    ARG  30           H        ARG  30  11.178   0.432   4.871
  266    HA   ARG  30           HA       ARG  30  12.379  -0.334   7.405
  267    HB2  ARG  30          2HB       ARG  30  11.158   1.821   7.143
  268    HB3  ARG  30          1HB       ARG  30   9.680   0.914   6.860
  269    HG2  ARG  30          2HG       ARG  30   9.835  -0.045   9.102
  270    HG3  ARG  30          1HG       ARG  30  11.323   0.862   9.384
  271    HD2  ARG  30          2HD       ARG  30   8.601   2.032   8.826
  272    HD3  ARG  30          1HD       ARG  30   9.412   1.990  10.389
  273    HE   ARG  30           HE       ARG  30  11.195   3.292   8.859
  274   HH11  ARG  30          1HH1      ARG  30   7.766   3.747   9.402
  275   HH12  ARG  30          2HH1      ARG  30   7.815   5.451   9.086
  276   HH21  ARG  30          1HH2      ARG  30  11.261   5.533   8.439
  277   HH22  ARG  30          2HH2      ARG  30   9.799   6.462   8.524
  Start of MODEL    6
    1    H1   MET   1          1H        MET   1 -28.899  -1.169  10.462
    2    H2   MET   1          2H        MET   1 -29.851  -1.530   9.115
    3    H3   MET   1          3H        MET   1 -29.439   0.075   9.459
    4    HA   MET   1           HA       MET   1 -27.551  -2.067   8.708
    5    HB2  MET   1          2HB       MET   1 -28.577   0.329   7.168
    6    HB3  MET   1          1HB       MET   1 -27.229  -0.672   6.653
    7    HG2  MET   1          2HG       MET   1 -29.124  -1.377   5.437
    8    HG3  MET   1          1HG       MET   1 -28.793  -2.624   6.637
    9    HE1  MET   1          1HE       MET   1 -30.581   0.895   7.017
   10    HE2  MET   1          2HE       MET   1 -32.266   0.410   6.851
   11    HE3  MET   1          3HE       MET   1 -31.165   0.249   5.486
   12    H    ALA   2           H        ALA   2 -25.497  -0.809   7.835
   13    HA   ALA   2           HA       ALA   2 -24.882   1.493   9.526
   14    HB1  ALA   2          1HB       ALA   2 -23.188  -1.005   9.496
   15    HB2  ALA   2          2HB       ALA   2 -24.192  -0.458  10.840
   16    HB3  ALA   2          3HB       ALA   2 -22.803   0.501  10.328
   17    H    THR   3           H        THR   3 -25.343   1.818   6.979
   18    HA   THR   3           HA       THR   3 -23.046   1.363   5.297
   19    HB   THR   3           HB       THR   3 -25.319   3.191   4.639
   20    HG1  THR   3           HG1      THR   3 -25.374   0.421   5.057
   21   HG21  THR   3          1HG2      THR   3 -23.495   3.006   3.021
   22   HG22  THR   3          2HG2      THR   3 -24.974   2.295   2.375
   23   HG23  THR   3          3HG2      THR   3 -23.690   1.254   2.989
   24    H    LYS   4           H        LYS   4 -21.894   2.613   7.137
   25    HA   LYS   4           HA       LYS   4 -21.981   5.485   6.991
   26    HB2  LYS   4          2HB       LYS   4 -19.902   3.715   8.294
   27    HB3  LYS   4          1HB       LYS   4 -20.197   5.418   8.627
   28    HG2  LYS   4          2HG       LYS   4 -22.362   4.906   9.560
   29    HG3  LYS   4          1HG       LYS   4 -22.179   3.209   9.129
   30    HD2  LYS   4          2HD       LYS   4 -21.695   3.388  11.443
   31    HD3  LYS   4          1HD       LYS   4 -20.154   3.153  10.616
   32    HE2  LYS   4          2HE       LYS   4 -19.688   5.520  10.750
   33    HE3  LYS   4          1HE       LYS   4 -21.266   5.818  11.474
   34    HZ1  LYS   4          1HZ       LYS   4 -19.566   5.773  13.164
   35    HZ2  LYS   4          2HZ       LYS   4 -19.059   4.238  12.676
   36    HZ3  LYS   4          3HZ       LYS   4 -20.588   4.440  13.363
   37    H    HIS   5           H        HIS   5 -21.432   6.210   5.006
   38    HA   HIS   5           HA       HIS   5 -20.286   6.602   3.092
   39    HB2  HIS   5          2HB       HIS   5 -18.596   7.432   4.764
   40    HB3  HIS   5          1HB       HIS   5 -17.816   5.857   4.680
   41    HD1  HIS   5           HD1      HIS   5 -16.047   5.619   2.953
   42    HD2  HIS   5           HD2      HIS   5 -18.597   8.796   2.137
   43    HE1  HIS   5           HE1      HIS   5 -15.063   6.774   0.949
   44    HE2  HIS   5           HE2      HIS   5 -16.611   8.704   0.483
   45    H    GLY   6           H        GLY   6 -21.522   4.342   2.934
   46    HA2  GLY   6          2HA       GLY   6 -21.530   2.467   1.570
   47    HA3  GLY   6          1HA       GLY   6 -19.798   2.665   1.335
   48    H    LYS   7           H        LYS   7 -18.817   2.561   3.855
   49    HA   LYS   7           HA       LYS   7 -17.904   1.081   5.236
   50    HB2  LYS   7          2HB       LYS   7 -20.194   1.683   6.187
   51    HB3  LYS   7          1HB       LYS   7 -20.683   0.072   5.688
   52    HG2  LYS   7          2HG       LYS   7 -20.012   0.257   8.036
   53    HG3  LYS   7          1HG       LYS   7 -19.086  -0.932   7.128
   54    HD2  LYS   7          2HD       LYS   7 -17.249   0.660   6.927
   55    HD3  LYS   7          1HD       LYS   7 -18.192   1.871   7.797
   56    HE2  LYS   7          2HE       LYS   7 -18.186   0.502   9.781
   57    HE3  LYS   7          1HE       LYS   7 -17.376  -0.803   8.918
   58    HZ1  LYS   7          1HZ       LYS   7 -16.248   1.878   9.512
   59    HZ2  LYS   7          2HZ       LYS   7 -15.471   0.685   8.596
   60    HZ3  LYS   7          3HZ       LYS   7 -15.799   0.415  10.231
   61    H    ASN   8           H        ASN   8 -18.432   0.188   2.436
   62    HA   ASN   8           HA       ASN   8 -17.584  -2.559   2.880
   63    HB2  ASN   8          2HB       ASN   8 -20.065  -1.756   1.426
   64    HB3  ASN   8          1HB       ASN   8 -19.124  -3.096   0.782
   65   HD21  ASN   8          1HD2      ASN   8 -20.049  -5.359   3.273
   66   HD22  ASN   8          2HD2      ASN   8 -18.967  -5.004   1.972
   67    H    SER   9           H        SER   9 -18.330  -0.067   0.484
   68    HA   SER   9           HA       SER   9 -16.601  -1.006  -1.513
   69    HB2  SER   9          2HB       SER   9 -16.848   1.430  -2.341
   70    HB3  SER   9          1HB       SER   9 -18.299   0.433  -2.229
   71    HG   SER   9           HG       SER   9 -19.050   1.715  -0.748
   72    H    TRP  10           H        TRP  10 -15.909   0.776   1.366
   73    HA   TRP  10           HA       TRP  10 -13.598   2.136   0.548
   74    HB2  TRP  10          2HB       TRP  10 -12.860   2.071   2.876
   75    HB3  TRP  10          1HB       TRP  10 -14.519   2.532   2.788
   76    HD1  TRP  10           HD1      TRP  10 -16.326   0.509   3.471
   77    HE1  TRP  10           HE1      TRP  10 -15.992  -1.372   5.224
   78    HE3  TRP  10           HE3      TRP  10 -11.355   0.680   3.678
   79    HZ2  TRP  10           HZ2      TRP  10 -13.754  -2.597   6.518
   80    HZ3  TRP  10           HZ3      TRP  10 -10.144  -0.813   5.161
   81    HH2  TRP  10           HH2      TRP  10 -11.305  -2.451   6.555
   82    H    LYS  11           H        LYS  11 -14.116  -1.207   1.443
   83    HA   LYS  11           HA       LYS  11 -11.502  -2.013   1.972
   84    HB2  LYS  11          2HB       LYS  11 -14.047  -3.134   1.380
   85    HB3  LYS  11          1HB       LYS  11 -12.810  -4.054   0.531
   86    HG2  LYS  11          2HG       LYS  11 -11.627  -4.302   2.713
   87    HG3  LYS  11          1HG       LYS  11 -12.980  -3.457   3.478
   88    HD2  LYS  11          2HD       LYS  11 -13.187  -6.048   1.943
   89    HD3  LYS  11          1HD       LYS  11 -13.152  -5.907   3.701
   90    HE2  LYS  11          2HE       LYS  11 -15.200  -4.609   3.663
   91    HE3  LYS  11          1HE       LYS  11 -15.222  -4.659   1.900
   92    HZ1  LYS  11          1HZ       LYS  11 -15.428  -7.083   2.035
   93    HZ2  LYS  11          2HZ       LYS  11 -16.717  -6.297   2.794
   94    HZ3  LYS  11          3HZ       LYS  11 -15.487  -6.989   3.723
   95    H    THR  12           H        THR  12 -13.230  -1.662  -1.001
   96    HA   THR  12           HA       THR  12 -11.267  -2.614  -2.788
   97    HB   THR  12           HB       THR  12 -13.732  -0.946  -2.935
   98    HG1  THR  12           HG1      THR  12 -13.636  -3.057  -4.598
   99   HG21  THR  12          1HG2      THR  12 -11.982  -1.557  -5.322
  100   HG22  THR  12          2HG2      THR  12 -12.239   0.041  -4.622
  101   HG23  THR  12          3HG2      THR  12 -13.584  -0.820  -5.369
  102    H    LEU  13           H        LEU  13 -11.971   0.517  -1.369
  103    HA   LEU  13           HA       LEU  13  -9.916   2.011  -2.699
  104    HB2  LEU  13          2HB       LEU  13 -11.273   3.572  -1.764
  105    HB3  LEU  13          1HB       LEU  13 -11.955   2.403  -0.651
  106    HG   LEU  13           HG       LEU  13  -9.324   3.152   0.223
  107   HD11  LEU  13          1HD1      LEU  13  -9.770   5.493   0.757
  108   HD12  LEU  13          2HD1      LEU  13 -11.274   5.415  -0.159
  109   HD13  LEU  13          3HD1      LEU  13  -9.727   5.227  -0.985
  110   HD21  LEU  13          1HD2      LEU  13 -10.519   3.666   2.291
  111   HD22  LEU  13          2HD2      LEU  13 -11.085   2.131   1.626
  112   HD23  LEU  13          3HD2      LEU  13 -12.060   3.589   1.438
  113    H    TYR  14           H        TYR  14 -10.130  -0.080   0.000
  114    HA   TYR  14           HA       TYR  14  -7.981   1.078   1.475
  115    HB2  TYR  14          2HB       TYR  14  -9.991   0.094   2.524
  116    HB3  TYR  14          1HB       TYR  14  -9.486  -1.493   1.949
  117    HD1  TYR  14           HD1      TYR  14  -7.580  -2.593   2.873
  118    HD2  TYR  14           HD2      TYR  14  -8.869   1.178   4.327
  119    HE1  TYR  14           HE1      TYR  14  -6.092  -2.873   4.776
  120    HE2  TYR  14           HE2      TYR  14  -7.367   0.934   6.276
  121    HH   TYR  14           HH       TYR  14  -4.953  -1.495   6.453
  122    H    LEU  15           H        LEU  15  -8.426  -1.816  -0.489
  123    HA   LEU  15           HA       LEU  15  -5.843  -2.812   0.247
  124    HB2  LEU  15          2HB       LEU  15  -7.543  -3.764  -2.041
  125    HB3  LEU  15          1HB       LEU  15  -6.266  -4.617  -1.193
  126    HG   LEU  15           HG       LEU  15  -8.809  -3.793   0.153
  127   HD11  LEU  15          1HD1      LEU  15  -9.556  -6.097  -0.132
  128   HD12  LEU  15          2HD1      LEU  15  -8.118  -6.454  -1.089
  129   HD13  LEU  15          3HD1      LEU  15  -9.323  -5.316  -1.694
  130   HD21  LEU  15          1HD2      LEU  15  -8.127  -5.464   1.801
  131   HD22  LEU  15          2HD2      LEU  15  -6.909  -4.201   1.621
  132   HD23  LEU  15          3HD2      LEU  15  -6.661  -5.781   0.874
  133    H    LYS  16           H        LYS  16  -7.153  -0.634  -1.980
  134    HA   LYS  16           HA       LYS  16  -4.944  -0.474  -3.763
  135    HB2  LYS  16          2HB       LYS  16  -7.035   0.509  -4.446
  136    HB3  LYS  16          1HB       LYS  16  -7.167   1.409  -2.950
  137    HG2  LYS  16          2HG       LYS  16  -4.856   1.980  -4.725
  138    HG3  LYS  16          1HG       LYS  16  -6.454   2.578  -5.182
  139    HD2  LYS  16          2HD       LYS  16  -6.682   3.732  -3.093
  140    HD3  LYS  16          1HD       LYS  16  -5.196   3.005  -2.482
  141    HE2  LYS  16          2HE       LYS  16  -4.861   5.339  -3.191
  142    HE3  LYS  16          1HE       LYS  16  -3.897   4.213  -4.144
  143    HZ1  LYS  16          1HZ       LYS  16  -5.456   4.379  -5.934
  144    HZ2  LYS  16          2HZ       LYS  16  -4.999   5.941  -5.482
  145    HZ3  LYS  16          3HZ       LYS  16  -6.503   5.332  -5.011
  146    H    ILE  17           H        ILE  17  -5.917   0.985  -0.719
  147    HA   ILE  17           HA       ILE  17  -3.714   2.628  -0.272
  148    HB   ILE  17           HB       ILE  17  -5.770   1.320   1.461
  149   HG12  ILE  17          2HG1      ILE  17  -5.052   4.213   0.962
  150   HG13  ILE  17          1HG1      ILE  17  -6.345   3.328   0.160
  151   HG21  ILE  17          1HG2      ILE  17  -3.519   2.982   2.554
  152   HG22  ILE  17          2HG2      ILE  17  -3.702   1.240   2.752
  153   HG23  ILE  17          3HG2      ILE  17  -4.893   2.334   3.456
  154   HD11  ILE  17          1HD1      ILE  17  -7.218   4.746   1.917
  155   HD12  ILE  17          2HD1      ILE  17  -6.180   3.952   3.099
  156   HD13  ILE  17          3HD1      ILE  17  -7.473   3.047   2.312
  157    H    SER  18           H        SER  18  -4.378  -0.740   0.580
  158    HA   SER  18           HA       SER  18  -1.985  -1.371   1.884
  159    HB2  SER  18          2HB       SER  18  -3.461  -3.231   0.009
  160    HB3  SER  18          1HB       SER  18  -2.527  -3.656   1.450
  161    HG   SER  18           HG       SER  18  -4.415  -1.950   2.201
  162    H    PHE  19           H        PHE  19  -2.882  -1.412  -1.505
  163    HA   PHE  19           HA       PHE  19  -0.680  -2.702  -2.589
  164    HB2  PHE  19          2HB       PHE  19  -2.791  -2.206  -3.775
  165    HB3  PHE  19          1HB       PHE  19  -2.357  -0.500  -3.810
  166    HD1  PHE  19           HD1      PHE  19  -1.560  -3.825  -5.077
  167    HD2  PHE  19           HD2      PHE  19  -0.778   0.346  -5.364
  168    HE1  PHE  19           HE1      PHE  19  -0.373  -4.203  -7.210
  169    HE2  PHE  19           HE2      PHE  19   0.408  -0.018  -7.499
  170    HZ   PHE  19           HZ       PHE  19   0.612  -2.296  -8.421
  171    H    LEU  20           H        LEU  20  -1.263   0.808  -2.427
  172    HA   LEU  20           HA       LEU  20   1.299   1.539  -3.337
  173    HB2  LEU  20          2HB       LEU  20  -0.711   3.039  -1.674
  174    HB3  LEU  20          1HB       LEU  20   0.749   3.761  -2.318
  175    HG   LEU  20           HG       LEU  20  -1.593   2.685  -3.874
  176   HD11  LEU  20          1HD1      LEU  20  -1.924   4.896  -2.916
  177   HD12  LEU  20          2HD1      LEU  20  -1.753   4.994  -4.668
  178   HD13  LEU  20          3HD1      LEU  20  -0.406   5.445  -3.624
  179   HD21  LEU  20          1HD2      LEU  20  -0.344   3.394  -5.872
  180   HD22  LEU  20          2HD2      LEU  20   0.440   2.067  -5.013
  181   HD23  LEU  20          3HD2      LEU  20   1.063   3.707  -4.855
  182    H    GLY  21           H        GLY  21  -0.002   0.897  -0.167
  183    HA2  GLY  21          2HA       GLY  21   2.184   1.803   1.372
  184    HA3  GLY  21          1HA       GLY  21   0.999   0.606   1.882
  185    H    CYS  22           H        CYS  22   1.562  -1.255  -0.244
  186    HA   CYS  22           HA       CYS  22   3.712  -2.702   0.881
  187    HB2  CYS  22          2HB       CYS  22   2.298  -3.062  -1.769
  188    HB3  CYS  22          1HB       CYS  22   3.394  -4.233  -1.048
  189    HG   CYS  22           HG       CYS  22   0.527  -3.214   0.507
  190    H    LYS  23           H        LYS  23   3.524  -0.354  -1.663
  191    HA   LYS  23           HA       LYS  23   6.214  -0.945  -2.598
  192    HB2  LYS  23          2HB       LYS  23   4.277   1.227  -3.404
  193    HB3  LYS  23          1HB       LYS  23   5.836   0.936  -4.161
  194    HG2  LYS  23          2HG       LYS  23   5.080  -1.261  -4.897
  195    HG3  LYS  23          1HG       LYS  23   3.520  -0.992  -4.116
  196    HD2  LYS  23          2HD       LYS  23   3.398  -0.557  -6.520
  197    HD3  LYS  23          1HD       LYS  23   3.106   0.914  -5.589
  198    HE2  LYS  23          2HE       LYS  23   5.400   1.631  -5.977
  199    HE3  LYS  23          1HE       LYS  23   5.731   0.145  -6.861
  200    HZ1  LYS  23          1HZ       LYS  23   4.135   0.803  -8.527
  201    HZ2  LYS  23          2HZ       LYS  23   5.287   2.020  -8.332
  202    HZ3  LYS  23          3HZ       LYS  23   3.748   2.204  -7.664
  203    H    VAL  24           H        VAL  24   4.475   1.554  -0.861
  204    HA   VAL  24           HA       VAL  24   6.888   3.093  -0.525
  205    HB   VAL  24           HB       VAL  24   4.093   3.553   0.500
  206   HG11  VAL  24          1HG1      VAL  24   6.358   5.506   0.418
  207   HG12  VAL  24          2HG1      VAL  24   5.813   4.677   1.871
  208   HG13  VAL  24          3HG1      VAL  24   4.732   5.791   1.032
  209   HG21  VAL  24          1HG2      VAL  24   5.613   4.669  -1.833
  210   HG22  VAL  24          2HG2      VAL  24   4.039   5.258  -1.290
  211   HG23  VAL  24          3HG2      VAL  24   4.202   3.610  -1.896
  212    H    VAL  25           H        VAL  25   5.995   0.333   0.817
  213    HA   VAL  25           HA       VAL  25   7.118   0.930   3.444
  214    HB   VAL  25           HB       VAL  25   5.362  -0.886   2.942
  215   HG11  VAL  25          1HG1      VAL  25   6.291  -3.098   2.374
  216   HG12  VAL  25          2HG1      VAL  25   7.840  -2.322   2.028
  217   HG13  VAL  25          3HG1      VAL  25   6.423  -1.932   1.054
  218   HG21  VAL  25          1HG2      VAL  25   7.814  -1.574   4.541
  219   HG22  VAL  25          2HG2      VAL  25   6.243  -2.364   4.684
  220   HG23  VAL  25          3HG2      VAL  25   6.415  -0.660   5.103
  221    H    VAL  26           H        VAL  26   7.977  -0.057   0.289
  222    HA   VAL  26           HA       VAL  26  10.428  -1.385   0.859
  223    HB   VAL  26           HB       VAL  26   9.358  -0.202  -1.697
  224   HG11  VAL  26          1HG1      VAL  26  10.967  -1.670  -2.840
  225   HG12  VAL  26          2HG1      VAL  26  11.622  -2.157  -1.278
  226   HG13  VAL  26          3HG1      VAL  26  11.772  -0.483  -1.812
  227   HG21  VAL  26          1HG2      VAL  26   8.744  -2.525  -2.255
  228   HG22  VAL  26          2HG2      VAL  26   7.902  -1.935  -0.824
  229   HG23  VAL  26          3HG2      VAL  26   9.268  -3.035  -0.651
  230    H    LEU  27           H        LEU  27   9.536   1.700  -0.491
  231    HA   LEU  27           HA       LEU  27  12.130   2.586  -0.934
  232    HB2  LEU  27          2HB       LEU  27  11.220   4.632  -1.630
  233    HB3  LEU  27          1HB       LEU  27  10.060   3.399  -2.063
  234    HG   LEU  27           HG       LEU  27   9.769   5.709  -0.271
  235   HD11  LEU  27          1HD1      LEU  27   7.448   5.511  -1.097
  236   HD12  LEU  27          2HD1      LEU  27   7.921   4.060  -1.977
  237   HD13  LEU  27          3HD1      LEU  27   8.642   5.615  -2.391
  238   HD21  LEU  27          1HD2      LEU  27   8.546   3.047   0.373
  239   HD22  LEU  27          2HD2      LEU  27   7.950   4.591   0.988
  240   HD23  LEU  27          3HD2      LEU  27   9.575   4.038   1.397
  241    H    LEU  28           H        LEU  28  10.362   2.448   2.007
  242    HA   LEU  28           HA       LEU  28  12.227   4.315   3.317
  243    HB2  LEU  28          2HB       LEU  28   9.877   2.848   4.523
  244    HB3  LEU  28          1HB       LEU  28  10.840   4.083   5.306
  245    HG   LEU  28           HG       LEU  28   8.974   4.461   2.987
  246   HD11  LEU  28          1HD1      LEU  28   7.847   4.176   5.113
  247   HD12  LEU  28          2HD1      LEU  28   7.716   5.846   4.563
  248   HD13  LEU  28          3HD1      LEU  28   8.862   5.425   5.835
  249   HD21  LEU  28          1HD2      LEU  28   9.491   6.853   3.193
  250   HD22  LEU  28          2HD2      LEU  28  10.910   5.914   2.733
  251   HD23  LEU  28          3HD2      LEU  28  10.723   6.472   4.395
  252    H    LYS  29           H        LYS  29  11.431   1.014   2.934
  253    HA   LYS  29           HA       LYS  29  12.376  -0.941   3.589
  254    HB2  LYS  29          2HB       LYS  29  14.606   0.842   4.590
  255    HB3  LYS  29          1HB       LYS  29  14.670  -0.913   4.600
  256    HG2  LYS  29          2HG       LYS  29  14.358   0.789   2.136
  257    HG3  LYS  29          1HG       LYS  29  15.875   0.086   2.704
  258    HD2  LYS  29          2HD       LYS  29  14.945  -2.155   2.445
  259    HD3  LYS  29          1HD       LYS  29  13.405  -1.469   1.926
  260    HE2  LYS  29          2HE       LYS  29  14.529  -0.440   0.001
  261    HE3  LYS  29          1HE       LYS  29  16.052  -1.168   0.512
  262    HZ1  LYS  29          1HZ       LYS  29  13.612  -2.692  -0.216
  263    HZ2  LYS  29          2HZ       LYS  29  15.121  -3.341   0.169
  264    HZ3  LYS  29          3HZ       LYS  29  14.929  -2.433  -1.241
  265    H    ARG  30           H        ARG  30  10.601   0.686   5.254
  266    HA   ARG  30           HA       ARG  30  11.437   0.099   7.977
  267    HB2  ARG  30          2HB       ARG  30  10.423   2.297   7.435
  268    HB3  ARG  30          1HB       ARG  30   8.944   1.479   6.955
  269    HG2  ARG  30          2HG       ARG  30   8.695   2.407   9.165
  270    HG3  ARG  30          1HG       ARG  30   8.678   0.646   9.255
  271    HD2  ARG  30          2HD       ARG  30  10.017   1.604  11.050
  272    HD3  ARG  30          1HD       ARG  30  11.016   0.654   9.955
  273    HE   ARG  30           HE       ARG  30  11.078   3.328   9.120
  274   HH11  ARG  30          1HH1      ARG  30  12.155   1.371  11.819
  275   HH12  ARG  30          2HH1      ARG  30  13.536   2.368  12.151
  276   HH21  ARG  30          1HH2      ARG  30  12.886   4.650   9.570
  277   HH22  ARG  30          2HH2      ARG  30  13.955   4.224  10.869
  Start of MODEL    7
    1    H1   MET   1          1H        MET   1 -26.852  10.039  14.155
    2    H2   MET   1          2H        MET   1 -28.413  10.664  13.992
    3    H3   MET   1          3H        MET   1 -27.134  11.687  14.399
    4    HA   MET   1           HA       MET   1 -27.731  11.972  12.097
    5    HB2  MET   1          2HB       MET   1 -25.089  10.580  12.578
    6    HB3  MET   1          1HB       MET   1 -25.484  11.442  11.100
    7    HG2  MET   1          2HG       MET   1 -25.669  13.515  12.303
    8    HG3  MET   1          1HG       MET   1 -25.442  12.685  13.839
    9    HE1  MET   1          1HE       MET   1 -23.120  10.636  13.290
   10    HE2  MET   1          2HE       MET   1 -23.168  11.710  14.686
   11    HE3  MET   1          3HE       MET   1 -21.708  11.607  13.705
   12    H    ALA   2           H        ALA   2 -27.792  11.049   9.944
   13    HA   ALA   2           HA       ALA   2 -28.147   8.124   9.924
   14    HB1  ALA   2          1HB       ALA   2 -30.345   9.224   9.963
   15    HB2  ALA   2          2HB       ALA   2 -30.066   8.365   8.446
   16    HB3  ALA   2          3HB       ALA   2 -29.913  10.121   8.507
   17    H    THR   3           H        THR   3 -25.812   9.413   9.263
   18    HA   THR   3           HA       THR   3 -25.670   9.919   6.436
   19    HB   THR   3           HB       THR   3 -23.375   9.581   8.366
   20    HG1  THR   3           HG1      THR   3 -25.116  11.761   7.884
   21   HG21  THR   3          1HG2      THR   3 -23.641  11.121   5.783
   22   HG22  THR   3          2HG2      THR   3 -22.769   9.603   5.995
   23   HG23  THR   3          3HG2      THR   3 -22.205  11.063   6.807
   24    H    LYS   4           H        LYS   4 -25.169   8.507   4.896
   25    HA   LYS   4           HA       LYS   4 -24.373   5.797   5.675
   26    HB2  LYS   4          2HB       LYS   4 -26.382   6.037   4.255
   27    HB3  LYS   4          1HB       LYS   4 -25.412   6.836   3.031
   28    HG2  LYS   4          2HG       LYS   4 -24.132   4.829   2.669
   29    HG3  LYS   4          1HG       LYS   4 -24.991   4.025   3.976
   30    HD2  LYS   4          2HD       LYS   4 -26.287   5.078   1.470
   31    HD3  LYS   4          1HD       LYS   4 -25.825   3.394   1.730
   32    HE2  LYS   4          2HE       LYS   4 -27.803   4.966   3.379
   33    HE3  LYS   4          1HE       LYS   4 -28.202   3.751   2.169
   34    HZ1  LYS   4          1HZ       LYS   4 -28.296   2.838   4.399
   35    HZ2  LYS   4          2HZ       LYS   4 -26.684   3.256   4.673
   36    HZ3  LYS   4          3HZ       LYS   4 -27.066   2.091   3.509
   37    H    HIS   5           H        HIS   5 -22.214   5.700   5.847
   38    HA   HIS   5           HA       HIS   5 -20.556   7.204   3.978
   39    HB2  HIS   5          2HB       HIS   5 -20.172   7.193   6.492
   40    HB3  HIS   5          1HB       HIS   5 -19.622   5.533   6.315
   41    HD1  HIS   5           HD1      HIS   5 -17.158   5.617   6.581
   42    HD2  HIS   5           HD2      HIS   5 -18.560   8.703   4.177
   43    HE1  HIS   5           HE1      HIS   5 -15.107   6.825   5.766
   44    HE2  HIS   5           HE2      HIS   5 -15.978   8.705   4.333
   45    H    GLY   6           H        GLY   6 -22.070   4.407   3.768
   46    HA2  GLY   6          2HA       GLY   6 -21.787   2.950   1.944
   47    HA3  GLY   6          1HA       GLY   6 -20.089   3.400   1.877
   48    H    LYS   7           H        LYS   7 -19.060   2.833   4.229
   49    HA   LYS   7           HA       LYS   7 -18.022   1.141   5.273
   50    HB2  LYS   7          2HB       LYS   7 -20.381   1.419   6.314
   51    HB3  LYS   7          1HB       LYS   7 -20.712  -0.130   5.561
   52    HG2  LYS   7          2HG       LYS   7 -20.084  -0.396   7.846
   53    HG3  LYS   7          1HG       LYS   7 -18.876  -1.134   6.810
   54    HD2  LYS   7          2HD       LYS   7 -17.571  -0.035   8.372
   55    HD3  LYS   7          1HD       LYS   7 -17.667   1.160   7.084
   56    HE2  LYS   7          2HE       LYS   7 -19.452   1.111   9.509
   57    HE3  LYS   7          1HE       LYS   7 -18.005   2.099   9.360
   58    HZ1  LYS   7          1HZ       LYS   7 -19.852   3.453   8.831
   59    HZ2  LYS   7          2HZ       LYS   7 -20.502   2.302   7.780
   60    HZ3  LYS   7          3HZ       LYS   7 -19.079   3.118   7.364
   61    H    ASN   8           H        ASN   8 -18.146   0.827   2.434
   62    HA   ASN   8           HA       ASN   8 -17.472  -1.966   2.336
   63    HB2  ASN   8          2HB       ASN   8 -18.964  -2.616   0.541
   64    HB3  ASN   8          1HB       ASN   8 -19.905  -2.045   1.908
   65   HD21  ASN   8          1HD2      ASN   8 -21.081  -0.700  -1.426
   66   HD22  ASN   8          2HD2      ASN   8 -20.565  -2.275  -0.933
   67    H    SER   9           H        SER   9 -17.952   1.018   0.489
   68    HA   SER   9           HA       SER   9 -16.357   0.288  -1.716
   69    HB2  SER   9          2HB       SER   9 -18.030   2.131  -1.725
   70    HB3  SER   9          1HB       SER   9 -16.956   3.072  -0.695
   71    HG   SER   9           HG       SER   9 -16.169   3.731  -2.528
   72    H    TRP  10           H        TRP  10 -15.545   1.423   1.437
   73    HA   TRP  10           HA       TRP  10 -13.029   2.521   0.962
   74    HB2  TRP  10          2HB       TRP  10 -12.447   1.904   3.245
   75    HB3  TRP  10          1HB       TRP  10 -14.031   2.584   3.205
   76    HD1  TRP  10           HD1      TRP  10 -16.115   0.738   3.482
   77    HE1  TRP  10           HE1      TRP  10 -16.076  -1.518   4.770
   78    HE3  TRP  10           HE3      TRP  10 -11.174   0.177   3.685
   79    HZ2  TRP  10           HZ2      TRP  10 -14.052  -3.296   5.731
   80    HZ3  TRP  10           HZ3      TRP  10 -10.206  -1.756   4.782
   81    HH2  TRP  10           HH2      TRP  10 -11.607  -3.490   5.778
   82    H    LYS  11           H        LYS  11 -14.056  -0.825   1.101
   83    HA   LYS  11           HA       LYS  11 -11.601  -2.092   1.502
   84    HB2  LYS  11          2HB       LYS  11 -14.243  -2.701   0.603
   85    HB3  LYS  11          1HB       LYS  11 -13.076  -3.615  -0.346
   86    HG2  LYS  11          2HG       LYS  11 -12.108  -4.450   1.778
   87    HG3  LYS  11          1HG       LYS  11 -13.358  -3.555   2.651
   88    HD2  LYS  11          2HD       LYS  11 -13.874  -5.745   0.637
   89    HD3  LYS  11          1HD       LYS  11 -13.911  -5.950   2.389
   90    HE2  LYS  11          2HE       LYS  11 -15.709  -4.269   2.520
   91    HE3  LYS  11          1HE       LYS  11 -15.700  -4.146   0.761
   92    HZ1  LYS  11          1HZ       LYS  11 -17.446  -5.618   1.486
   93    HZ2  LYS  11          2HZ       LYS  11 -16.349  -6.575   2.339
   94    HZ3  LYS  11          3HZ       LYS  11 -16.276  -6.506   0.650
   95    H    THR  12           H        THR  12 -13.131  -0.914  -1.383
   96    HA   THR  12           HA       THR  12 -11.178  -1.758  -3.255
   97    HB   THR  12           HB       THR  12 -13.502   0.100  -3.195
   98    HG1  THR  12           HG1      THR  12 -12.783  -2.311  -4.439
   99   HG21  THR  12          1HG2      THR  12 -11.642  -0.097  -5.565
  100   HG22  THR  12          2HG2      THR  12 -11.833   1.317  -4.529
  101   HG23  THR  12          3HG2      THR  12 -13.186   0.757  -5.508
  102    H    LEU  13           H        LEU  13 -11.611   1.053  -1.242
  103    HA   LEU  13           HA       LEU  13  -9.407   2.590  -2.256
  104    HB2  LEU  13          2HB       LEU  13 -10.648   4.061  -1.059
  105    HB3  LEU  13          1HB       LEU  13 -11.457   2.773  -0.191
  106    HG   LEU  13           HG       LEU  13  -8.794   3.096   0.829
  107   HD11  LEU  13          1HD1      LEU  13 -10.508   5.574   0.826
  108   HD12  LEU  13          2HD1      LEU  13  -8.947   5.381   0.028
  109   HD13  LEU  13          3HD1      LEU  13  -9.050   5.333   1.787
  110   HD21  LEU  13          1HD2      LEU  13 -10.691   2.018   1.998
  111   HD22  LEU  13          2HD2      LEU  13 -11.496   3.585   2.096
  112   HD23  LEU  13          3HD2      LEU  13  -9.974   3.325   2.946
  113    H    TYR  14           H        TYR  14  -9.856   0.008  -0.072
  114    HA   TYR  14           HA       TYR  14  -7.677   0.708   1.659
  115    HB2  TYR  14          2HB       TYR  14  -9.815  -0.165   2.510
  116    HB3  TYR  14          1HB       TYR  14  -9.504  -1.691   1.687
  117    HD1  TYR  14           HD1      TYR  14  -7.869  -3.210   2.483
  118    HD2  TYR  14           HD2      TYR  14  -8.548   0.488   4.447
  119    HE1  TYR  14           HE1      TYR  14  -6.497  -3.989   4.339
  120    HE2  TYR  14           HE2      TYR  14  -7.161  -0.262   6.339
  121    HH   TYR  14           HH       TYR  14  -6.353  -2.282   7.353
  122    H    LEU  15           H        LEU  15  -8.420  -1.867  -0.637
  123    HA   LEU  15           HA       LEU  15  -5.942  -3.196  -0.104
  124    HB2  LEU  15          2HB       LEU  15  -7.755  -3.609  -2.473
  125    HB3  LEU  15          1HB       LEU  15  -6.561  -4.711  -1.811
  126    HG   LEU  15           HG       LEU  15  -8.980  -3.853  -0.265
  127   HD11  LEU  15          1HD1      LEU  15  -9.983  -5.988  -0.883
  128   HD12  LEU  15          2HD1      LEU  15  -8.613  -6.333  -1.937
  129   HD13  LEU  15          3HD1      LEU  15  -9.695  -4.991  -2.308
  130   HD21  LEU  15          1HD2      LEU  15  -7.070  -6.162   0.052
  131   HD22  LEU  15          2HD2      LEU  15  -8.462  -5.818   1.080
  132   HD23  LEU  15          3HD2      LEU  15  -7.097  -4.700   1.040
  133    H    LYS  16           H        LYS  16  -7.032  -0.589  -1.923
  134    HA   LYS  16           HA       LYS  16  -4.812  -0.363  -3.703
  135    HB2  LYS  16          2HB       LYS  16  -6.869   0.804  -4.221
  136    HB3  LYS  16          1HB       LYS  16  -6.912   1.541  -2.635
  137    HG2  LYS  16          2HG       LYS  16  -4.692   2.164  -4.538
  138    HG3  LYS  16          1HG       LYS  16  -6.255   2.980  -4.650
  139    HD2  LYS  16          2HD       LYS  16  -6.005   3.498  -2.191
  140    HD3  LYS  16          1HD       LYS  16  -4.338   2.947  -2.339
  141    HE2  LYS  16          2HE       LYS  16  -4.359   5.340  -2.551
  142    HE3  LYS  16          1HE       LYS  16  -3.997   4.644  -4.130
  143    HZ1  LYS  16          1HZ       LYS  16  -6.663   5.625  -3.262
  144    HZ2  LYS  16          2HZ       LYS  16  -6.286   5.001  -4.786
  145    HZ3  LYS  16          3HZ       LYS  16  -5.598   6.455  -4.277
  146    H    ILE  17           H        ILE  17  -5.758   0.840  -0.521
  147    HA   ILE  17           HA       ILE  17  -3.476   2.285   0.124
  148    HB   ILE  17           HB       ILE  17  -5.678   0.995   1.655
  149   HG12  ILE  17          2HG1      ILE  17  -4.608   3.820   1.548
  150   HG13  ILE  17          1HG1      ILE  17  -5.981   3.203   0.634
  151   HG21  ILE  17          1HG2      ILE  17  -3.689   0.500   2.984
  152   HG22  ILE  17          2HG2      ILE  17  -4.780   1.625   3.794
  153   HG23  ILE  17          3HG2      ILE  17  -3.301   2.220   3.029
  154   HD11  ILE  17          1HD1      ILE  17  -7.191   2.811   2.712
  155   HD12  ILE  17          2HD1      ILE  17  -6.696   4.498   2.561
  156   HD13  ILE  17          3HD1      ILE  17  -5.810   3.411   3.631
  157    H    SER  18           H        SER  18  -4.319  -1.097   0.718
  158    HA   SER  18           HA       SER  18  -1.992  -1.863   2.068
  159    HB2  SER  18          2HB       SER  18  -4.208  -3.162   1.704
  160    HB3  SER  18          1HB       SER  18  -3.478  -3.687   0.182
  161    HG   SER  18           HG       SER  18  -2.661  -5.192   1.409
  162    H    PHE  19           H        PHE  19  -2.798  -1.781  -1.362
  163    HA   PHE  19           HA       PHE  19  -0.508  -3.091  -2.315
  164    HB2  PHE  19          2HB       PHE  19  -2.607  -2.697  -3.614
  165    HB3  PHE  19          1HB       PHE  19  -2.147  -0.999  -3.758
  166    HD1  PHE  19           HD1      PHE  19  -1.252  -4.438  -4.668
  167    HD2  PHE  19           HD2      PHE  19  -0.491  -0.302  -5.312
  168    HE1  PHE  19           HE1      PHE  19   0.105  -4.999  -6.649
  169    HE2  PHE  19           HE2      PHE  19   0.860  -0.852  -7.296
  170    HZ   PHE  19           HZ       PHE  19   1.161  -3.202  -7.964
  171    H    LEU  20           H        LEU  20  -1.266   0.395  -2.367
  172    HA   LEU  20           HA       LEU  20   1.296   1.187  -3.187
  173    HB2  LEU  20          2HB       LEU  20  -1.024   2.593  -1.943
  174    HB3  LEU  20          1HB       LEU  20   0.503   3.437  -2.116
  175    HG   LEU  20           HG       LEU  20   0.413   2.976  -4.561
  176   HD11  LEU  20          1HD1      LEU  20  -1.492   2.098  -5.603
  177   HD12  LEU  20          2HD1      LEU  20  -2.439   2.182  -4.118
  178   HD13  LEU  20          3HD1      LEU  20  -1.135   1.006  -4.262
  179   HD21  LEU  20          1HD2      LEU  20  -1.320   4.639  -5.055
  180   HD22  LEU  20          2HD2      LEU  20  -0.320   5.122  -3.685
  181   HD23  LEU  20          3HD2      LEU  20  -1.936   4.475  -3.411
  182    H    GLY  21           H        GLY  21  -0.096   0.687   0.010
  183    HA2  GLY  21          2HA       GLY  21   2.050   1.731   1.507
  184    HA3  GLY  21          1HA       GLY  21   0.925   0.493   2.056
  185    H    CYS  22           H        CYS  22   1.601  -1.327  -0.123
  186    HA   CYS  22           HA       CYS  22   3.871  -2.599   1.068
  187    HB2  CYS  22          2HB       CYS  22   1.922  -3.848   0.145
  188    HB3  CYS  22          1HB       CYS  22   2.386  -3.324  -1.468
  189    HG   CYS  22           HG       CYS  22   3.266  -6.018   0.030
  190    H    LYS  23           H        LYS  23   3.353  -0.459  -1.637
  191    HA   LYS  23           HA       LYS  23   6.038  -0.949  -2.649
  192    HB2  LYS  23          2HB       LYS  23   3.953   1.077  -3.459
  193    HB3  LYS  23          1HB       LYS  23   5.515   0.888  -4.238
  194    HG2  LYS  23          2HG       LYS  23   4.924  -1.407  -4.858
  195    HG3  LYS  23          1HG       LYS  23   3.345  -1.189  -4.106
  196    HD2  LYS  23          2HD       LYS  23   3.122  -0.886  -6.481
  197    HD3  LYS  23          1HD       LYS  23   2.901   0.672  -5.689
  198    HE2  LYS  23          2HE       LYS  23   5.604  -0.118  -6.698
  199    HE3  LYS  23          1HE       LYS  23   4.391   0.473  -7.829
  200    HZ1  LYS  23          1HZ       LYS  23   5.742   2.286  -7.103
  201    HZ2  LYS  23          2HZ       LYS  23   5.478   1.926  -5.477
  202    HZ3  LYS  23          3HZ       LYS  23   4.202   2.484  -6.435
  203    H    VAL  24           H        VAL  24   4.290   1.467  -0.843
  204    HA   VAL  24           HA       VAL  24   6.651   3.110  -0.573
  205    HB   VAL  24           HB       VAL  24   3.856   3.425   0.518
  206   HG11  VAL  24          1HG1      VAL  24   5.567   4.590   1.895
  207   HG12  VAL  24          2HG1      VAL  24   4.382   5.654   1.139
  208   HG13  VAL  24          3HG1      VAL  24   5.999   5.511   0.458
  209   HG21  VAL  24          1HG2      VAL  24   3.921   3.562  -1.866
  210   HG22  VAL  24          2HG2      VAL  24   5.301   4.659  -1.799
  211   HG23  VAL  24          3HG2      VAL  24   3.719   5.190  -1.215
  212    H    VAL  25           H        VAL  25   5.966   0.282   0.722
  213    HA   VAL  25           HA       VAL  25   7.098   0.911   3.336
  214    HB   VAL  25           HB       VAL  25   5.464  -1.019   2.889
  215   HG11  VAL  25          1HG1      VAL  25   6.505  -1.976   0.941
  216   HG12  VAL  25          2HG1      VAL  25   6.522  -3.158   2.252
  217   HG13  VAL  25          3HG1      VAL  25   7.992  -2.271   1.839
  218   HG21  VAL  25          1HG2      VAL  25   6.526  -2.444   4.570
  219   HG22  VAL  25          2HG2      VAL  25   6.613  -0.738   4.996
  220   HG23  VAL  25          3HG2      VAL  25   8.035  -1.558   4.354
  221    H    VAL  26           H        VAL  26   7.964   0.073   0.151
  222    HA   VAL  26           HA       VAL  26  10.506  -1.111   0.633
  223    HB   VAL  26           HB       VAL  26   9.353   0.108  -1.868
  224   HG11  VAL  26          1HG1      VAL  26  10.989  -1.282  -3.068
  225   HG12  VAL  26          2HG1      VAL  26  11.661  -1.814  -1.526
  226   HG13  VAL  26          3HG1      VAL  26  11.775  -0.118  -2.001
  227   HG21  VAL  26          1HG2      VAL  26   8.764  -2.188  -2.499
  228   HG22  VAL  26          2HG2      VAL  26   7.955  -1.700  -1.010
  229   HG23  VAL  26          3HG2      VAL  26   9.356  -2.769  -0.943
  230    H    LEU  27           H        LEU  27   9.391   1.966  -0.557
  231    HA   LEU  27           HA       LEU  27  11.920   3.051  -0.980
  232    HB2  LEU  27          2HB       LEU  27  10.865   5.040  -1.613
  233    HB3  LEU  27          1HB       LEU  27   9.784   3.745  -2.073
  234    HG   LEU  27           HG       LEU  27   9.362   5.973  -0.197
  235   HD11  LEU  27          1HD1      LEU  27   7.590   4.270  -1.937
  236   HD12  LEU  27          2HD1      LEU  27   8.245   5.859  -2.338
  237   HD13  LEU  27          3HD1      LEU  27   7.066   5.693  -1.038
  238   HD21  LEU  27          1HD2      LEU  27   7.618   4.691   1.019
  239   HD22  LEU  27          2HD2      LEU  27   9.273   4.231   1.411
  240   HD23  LEU  27          3HD2      LEU  27   8.311   3.212   0.346
  241    H    LEU  28           H        LEU  28  10.160   2.675   1.931
  242    HA   LEU  28           HA       LEU  28  11.949   4.535   3.348
  243    HB2  LEU  28          2HB       LEU  28   9.701   2.861   4.479
  244    HB3  LEU  28          1HB       LEU  28  10.594   4.107   5.322
  245    HG   LEU  28           HG       LEU  28   8.653   4.495   3.059
  246   HD11  LEU  28          1HD1      LEU  28   7.342   5.697   4.723
  247   HD12  LEU  28          2HD1      LEU  28   8.557   5.334   5.949
  248   HD13  LEU  28          3HD1      LEU  28   7.624   4.027   5.218
  249   HD21  LEU  28          1HD2      LEU  28   9.025   6.897   3.375
  250   HD22  LEU  28          2HD2      LEU  28  10.490   6.075   2.836
  251   HD23  LEU  28          3HD2      LEU  28  10.311   6.541   4.528
  252    H    LYS  29           H        LYS  29  11.324   1.275   2.655
  253    HA   LYS  29           HA       LYS  29  12.362  -0.686   3.050
  254    HB2  LYS  29          2HB       LYS  29  14.406   0.928   2.710
  255    HB3  LYS  29          1HB       LYS  29  14.636   0.691   4.434
  256    HG2  LYS  29          2HG       LYS  29  16.022  -0.856   3.256
  257    HG3  LYS  29          1HG       LYS  29  14.722  -1.752   4.040
  258    HD2  LYS  29          2HD       LYS  29  14.818  -2.708   1.923
  259    HD3  LYS  29          1HD       LYS  29  13.506  -1.544   1.773
  260    HE2  LYS  29          2HE       LYS  29  16.353  -1.061   0.902
  261    HE3  LYS  29          1HE       LYS  29  15.047  -1.552  -0.168
  262    HZ1  LYS  29          1HZ       LYS  29  13.881   0.529   0.500
  263    HZ2  LYS  29          2HZ       LYS  29  15.317   0.781  -0.356
  264    HZ3  LYS  29          3HZ       LYS  29  15.289   1.004   1.316
  265    H    ARG  30           H        ARG  30  10.533   0.472   4.915
  266    HA   ARG  30           HA       ARG  30  11.429  -0.790   7.416
  267    HB2  ARG  30          2HB       ARG  30  11.733   1.633   7.612
  268    HB3  ARG  30          1HB       ARG  30  10.060   1.892   7.147
  269    HG2  ARG  30          2HG       ARG  30   9.342   0.711   9.188
  270    HG3  ARG  30          1HG       ARG  30  11.036   0.556   9.662
  271    HD2  ARG  30          2HD       ARG  30  11.268   2.981   9.661
  272    HD3  ARG  30          1HD       ARG  30   9.589   3.150   9.154
  273    HE   ARG  30           HE       ARG  30   9.716   1.658  11.543
  274   HH11  ARG  30          1HH1      ARG  30  10.120   4.909  10.325
  275   HH12  ARG  30          2HH1      ARG  30   9.691   5.667  11.824
  276   HH21  ARG  30          1HH2      ARG  30   9.144   2.655  13.535
  277   HH22  ARG  30          2HH2      ARG  30   9.137   4.385  13.648
  Start of MODEL    8
    1    H1   MET   1          1H        MET   1 -23.158   0.943  16.171
    2    H2   MET   1          2H        MET   1 -23.993   2.257  16.836
    3    H3   MET   1          3H        MET   1 -22.390   2.439  16.328
    4    HA   MET   1           HA       MET   1 -22.988   2.109  14.057
    5    HB2  MET   1          2HB       MET   1 -24.846   0.541  14.460
    6    HB3  MET   1          1HB       MET   1 -25.811   1.853  15.121
    7    HG2  MET   1          2HG       MET   1 -25.756   2.980  12.948
    8    HG3  MET   1          1HG       MET   1 -24.814   1.647  12.289
    9    HE1  MET   1          1HE       MET   1 -28.288   1.148  10.565
   10    HE2  MET   1          2HE       MET   1 -26.552   1.351  10.322
   11    HE3  MET   1          3HE       MET   1 -27.516   2.685  10.955
   12    H    ALA   2           H        ALA   2 -22.666   4.049  13.247
   13    HA   ALA   2           HA       ALA   2 -24.285   6.294  14.259
   14    HB1  ALA   2          1HB       ALA   2 -22.356   7.760  13.976
   15    HB2  ALA   2          2HB       ALA   2 -21.381   6.393  13.442
   16    HB3  ALA   2          3HB       ALA   2 -21.986   6.449  15.096
   17    H    THR   3           H        THR   3 -25.288   4.950  12.243
   18    HA   THR   3           HA       THR   3 -26.152   5.143  10.160
   19    HB   THR   3           HB       THR   3 -24.632   7.725   9.862
   20    HG1  THR   3           HG1      THR   3 -26.545   7.112  11.632
   21   HG21  THR   3          1HG2      THR   3 -26.456   8.309   8.337
   22   HG22  THR   3          2HG2      THR   3 -27.199   6.736   8.618
   23   HG23  THR   3          3HG2      THR   3 -25.634   6.839   7.809
   24    H    LYS   4           H        LYS   4 -25.429   3.725   8.766
   25    HA   LYS   4           HA       LYS   4 -22.627   3.833   7.924
   26    HB2  LYS   4          2HB       LYS   4 -23.507   1.695   8.885
   27    HB3  LYS   4          1HB       LYS   4 -24.632   1.601   7.538
   28    HG2  LYS   4          2HG       LYS   4 -22.809   1.403   5.972
   29    HG3  LYS   4          1HG       LYS   4 -21.636   1.639   7.265
   30    HD2  LYS   4          2HD       LYS   4 -21.666  -0.676   6.890
   31    HD3  LYS   4          1HD       LYS   4 -22.636  -0.439   8.340
   32    HE2  LYS   4          2HE       LYS   4 -23.846  -0.639   5.594
   33    HE3  LYS   4          1HE       LYS   4 -23.536  -2.056   6.592
   34    HZ1  LYS   4          1HZ       LYS   4 -25.376   0.193   7.179
   35    HZ2  LYS   4          2HZ       LYS   4 -24.944  -0.968   8.326
   36    HZ3  LYS   4          3HZ       LYS   4 -25.772  -1.429   6.929
   37    H    HIS   5           H        HIS   5 -22.676   5.410   6.447
   38    HA   HIS   5           HA       HIS   5 -24.202   4.889   4.001
   39    HB2  HIS   5          2HB       HIS   5 -25.498   6.496   5.259
   40    HB3  HIS   5          1HB       HIS   5 -24.069   7.477   5.549
   41    HD1  HIS   5           HD1      HIS   5 -26.307   6.381   2.687
   42    HD2  HIS   5           HD2      HIS   5 -23.650   9.423   3.667
   43    HE1  HIS   5           HE1      HIS   5 -26.487   8.062   0.825
   44    HE2  HIS   5           HE2      HIS   5 -24.963   9.951   1.502
   45    H    GLY   6           H        GLY   6 -22.438   4.306   2.822
   46    HA2  GLY   6          2HA       GLY   6 -20.769   5.035   1.290
   47    HA3  GLY   6          1HA       GLY   6 -20.441   6.403   2.344
   48    H    LYS   7           H        LYS   7 -20.837   3.314   3.782
   49    HA   LYS   7           HA       LYS   7 -17.928   3.090   4.150
   50    HB2  LYS   7          2HB       LYS   7 -19.193   3.703   6.206
   51    HB3  LYS   7          1HB       LYS   7 -20.122   2.221   6.044
   52    HG2  LYS   7          2HG       LYS   7 -18.423   1.927   7.700
   53    HG3  LYS   7          1HG       LYS   7 -18.044   0.923   6.301
   54    HD2  LYS   7          2HD       LYS   7 -16.420   2.568   5.536
   55    HD3  LYS   7          1HD       LYS   7 -16.830   3.624   6.891
   56    HE2  LYS   7          2HE       LYS   7 -16.066   1.891   8.453
   57    HE3  LYS   7          1HE       LYS   7 -15.634   0.860   7.090
   58    HZ1  LYS   7          1HZ       LYS   7 -13.999   2.471   6.402
   59    HZ2  LYS   7          2HZ       LYS   7 -13.727   2.054   8.016
   60    HZ3  LYS   7          3HZ       LYS   7 -14.457   3.530   7.637
   61    H    ASN   8           H        ASN   8 -18.131   1.892   2.089
   62    HA   ASN   8           HA       ASN   8 -18.315  -0.927   2.573
   63    HB2  ASN   8          2HB       ASN   8 -19.962  -1.253   0.619
   64    HB3  ASN   8          1HB       ASN   8 -20.617  -0.769   2.176
   65   HD21  ASN   8          1HD2      ASN   8 -22.464   1.539   0.325
   66   HD22  ASN   8          2HD2      ASN   8 -22.466   0.049   1.198
   67    H    SER   9           H        SER   9 -18.022   1.645   0.156
   68    HA   SER   9           HA       SER   9 -16.609  -0.006  -1.700
   69    HB2  SER   9          2HB       SER   9 -16.181   2.277  -2.804
   70    HB3  SER   9          1HB       SER   9 -17.855   1.735  -2.676
   71    HG   SER   9           HG       SER   9 -16.629   3.895  -1.532
   72    H    TRP  10           H        TRP  10 -15.674   1.285   1.177
   73    HA   TRP  10           HA       TRP  10 -13.128   2.301   0.576
   74    HB2  TRP  10          2HB       TRP  10 -12.544   1.807   2.915
   75    HB3  TRP  10          1HB       TRP  10 -14.030   2.666   2.792
   76    HD1  TRP  10           HD1      TRP  10 -16.307   1.243   3.390
   77    HE1  TRP  10           HE1      TRP  10 -16.536  -0.863   4.893
   78    HE3  TRP  10           HE3      TRP  10 -11.495  -0.160   3.353
   79    HZ2  TRP  10           HZ2      TRP  10 -14.763  -2.865   5.918
   80    HZ3  TRP  10           HZ3      TRP  10 -10.797  -2.105   4.581
   81    HH2  TRP  10           HH2      TRP  10 -12.387  -3.473   5.832
   82    H    LYS  11           H        LYS  11 -14.266  -0.997   0.958
   83    HA   LYS  11           HA       LYS  11 -11.791  -2.204   1.520
   84    HB2  LYS  11          2HB       LYS  11 -14.318  -3.141   0.221
   85    HB3  LYS  11          1HB       LYS  11 -12.905  -4.164   0.284
   86    HG2  LYS  11          2HG       LYS  11 -12.918  -4.205   2.654
   87    HG3  LYS  11          1HG       LYS  11 -14.119  -2.916   2.722
   88    HD2  LYS  11          2HD       LYS  11 -14.623  -5.631   1.513
   89    HD3  LYS  11          1HD       LYS  11 -15.018  -5.202   3.178
   90    HE2  LYS  11          2HE       LYS  11 -16.474  -3.412   2.363
   91    HE3  LYS  11          1HE       LYS  11 -16.094  -3.858   0.702
   92    HZ1  LYS  11          1HZ       LYS  11 -18.186  -4.812   1.337
   93    HZ2  LYS  11          2HZ       LYS  11 -17.501  -5.545   2.697
   94    HZ3  LYS  11          3HZ       LYS  11 -17.060  -6.058   1.144
   95    H    THR  12           H        THR  12 -13.298  -1.225  -1.425
   96    HA   THR  12           HA       THR  12 -11.398  -2.261  -3.248
   97    HB   THR  12           HB       THR  12 -13.692  -0.421  -3.201
   98    HG1  THR  12           HG1      THR  12 -13.236  -2.847  -3.967
   99   HG21  THR  12          1HG2      THR  12 -13.379   0.387  -5.468
  100   HG22  THR  12          2HG2      THR  12 -11.797  -0.391  -5.552
  101   HG23  THR  12          3HG2      THR  12 -12.067   0.946  -4.434
  102    H    LEU  13           H        LEU  13 -11.734   0.738  -1.453
  103    HA   LEU  13           HA       LEU  13  -9.412   2.065  -2.468
  104    HB2  LEU  13          2HB       LEU  13 -10.541   3.667  -1.341
  105    HB3  LEU  13          1HB       LEU  13 -11.469   2.471  -0.456
  106    HG   LEU  13           HG       LEU  13  -8.805   2.604   0.609
  107   HD11  LEU  13          1HD1      LEU  13  -8.860   4.875   1.497
  108   HD12  LEU  13          2HD1      LEU  13 -10.298   5.216   0.534
  109   HD13  LEU  13          3HD1      LEU  13  -8.762   4.871  -0.264
  110   HD21  LEU  13          1HD2      LEU  13 -10.723   1.715   1.831
  111   HD22  LEU  13          2HD2      LEU  13 -11.491   3.305   1.795
  112   HD23  LEU  13          3HD2      LEU  13  -9.999   3.071   2.702
  113    H    TYR  14           H        TYR  14 -10.059  -0.369  -0.165
  114    HA   TYR  14           HA       TYR  14  -7.968   0.202   1.639
  115    HB2  TYR  14          2HB       TYR  14 -10.096  -0.903   2.252
  116    HB3  TYR  14          1HB       TYR  14  -9.584  -2.328   1.346
  117    HD1  TYR  14           HD1      TYR  14  -9.139  -0.356   4.355
  118    HD2  TYR  14           HD2      TYR  14  -7.739  -3.676   2.109
  119    HE1  TYR  14           HE1      TYR  14  -7.806  -1.119   6.290
  120    HE2  TYR  14           HE2      TYR  14  -6.436  -4.466   3.995
  121    HH   TYR  14           HH       TYR  14  -6.866  -3.331   7.135
  122    H    LEU  15           H        LEU  15  -8.332  -2.072  -1.012
  123    HA   LEU  15           HA       LEU  15  -5.871  -3.374  -0.356
  124    HB2  LEU  15          2HB       LEU  15  -7.370  -3.620  -2.946
  125    HB3  LEU  15          1HB       LEU  15  -6.236  -4.741  -2.216
  126    HG   LEU  15           HG       LEU  15  -8.868  -4.079  -0.959
  127   HD11  LEU  15          1HD1      LEU  15  -9.249  -5.083  -3.157
  128   HD12  LEU  15          2HD1      LEU  15  -9.685  -6.193  -1.859
  129   HD13  LEU  15          3HD1      LEU  15  -8.171  -6.413  -2.736
  130   HD21  LEU  15          1HD2      LEU  15  -6.933  -6.350  -0.542
  131   HD22  LEU  15          2HD2      LEU  15  -8.458  -6.112   0.309
  132   HD23  LEU  15          3HD2      LEU  15  -7.138  -4.964   0.527
  133    H    LYS  16           H        LYS  16  -6.915  -0.665  -2.148
  134    HA   LYS  16           HA       LYS  16  -4.533  -0.238  -3.639
  135    HB2  LYS  16          2HB       LYS  16  -6.465   0.969  -4.351
  136    HB3  LYS  16          1HB       LYS  16  -6.842   1.481  -2.720
  137    HG2  LYS  16          2HG       LYS  16  -4.338   2.437  -4.027
  138    HG3  LYS  16          1HG       LYS  16  -5.888   3.187  -4.414
  139    HD2  LYS  16          2HD       LYS  16  -5.059   2.762  -1.578
  140    HD3  LYS  16          1HD       LYS  16  -4.450   4.158  -2.477
  141    HE2  LYS  16          2HE       LYS  16  -7.361   3.463  -2.098
  142    HE3  LYS  16          1HE       LYS  16  -6.482   4.643  -1.130
  143    HZ1  LYS  16          1HZ       LYS  16  -6.082   5.924  -3.153
  144    HZ2  LYS  16          2HZ       LYS  16  -7.735   5.725  -2.866
  145    HZ3  LYS  16          3HZ       LYS  16  -6.969   4.802  -4.055
  146    H    ILE  17           H        ILE  17  -5.790   0.604  -0.467
  147    HA   ILE  17           HA       ILE  17  -3.658   2.058   0.543
  148    HB   ILE  17           HB       ILE  17  -5.849   0.417   1.727
  149   HG12  ILE  17          2HG1      ILE  17  -5.042   3.313   2.032
  150   HG13  ILE  17          1HG1      ILE  17  -6.291   2.699   0.954
  151   HG21  ILE  17          1HG2      ILE  17  -3.689   1.658   3.407
  152   HG22  ILE  17          2HG2      ILE  17  -3.909  -0.069   3.129
  153   HG23  ILE  17          3HG2      ILE  17  -5.149   0.847   3.986
  154   HD11  ILE  17          1HD1      ILE  17  -7.575   1.935   2.888
  155   HD12  ILE  17          2HD1      ILE  17  -7.263   3.671   2.946
  156   HD13  ILE  17          3HD1      ILE  17  -6.327   2.571   3.960
  157    H    SER  18           H        SER  18  -4.313  -1.418   0.552
  158    HA   SER  18           HA       SER  18  -2.002  -2.256   1.921
  159    HB2  SER  18          2HB       SER  18  -3.386  -3.799  -0.282
  160    HB3  SER  18          1HB       SER  18  -2.500  -4.444   1.101
  161    HG   SER  18           HG       SER  18  -4.511  -2.830   1.916
  162    H    PHE  19           H        PHE  19  -2.671  -1.633  -1.472
  163    HA   PHE  19           HA       PHE  19  -0.344  -2.773  -2.544
  164    HB2  PHE  19          2HB       PHE  19  -2.403  -2.167  -3.827
  165    HB3  PHE  19          1HB       PHE  19  -1.936  -0.472  -3.688
  166    HD1  PHE  19           HD1      PHE  19  -0.165   0.438  -5.007
  167    HD2  PHE  19           HD2      PHE  19  -1.082  -3.714  -5.147
  168    HE1  PHE  19           HE1      PHE  19   1.240   0.201  -7.015
  169    HE2  PHE  19           HE2      PHE  19   0.322  -3.961  -7.158
  170    HZ   PHE  19           HZ       PHE  19   1.486  -2.000  -8.094
  171    H    LEU  20           H        LEU  20  -1.113   0.677  -2.094
  172    HA   LEU  20           HA       LEU  20   1.480   1.592  -2.647
  173    HB2  LEU  20          2HB       LEU  20  -0.891   2.767  -1.261
  174    HB3  LEU  20          1HB       LEU  20   0.641   3.618  -1.224
  175    HG   LEU  20           HG       LEU  20   0.629   3.570  -3.730
  176   HD11  LEU  20          1HD1      LEU  20  -1.344   3.019  -4.923
  177   HD12  LEU  20          2HD1      LEU  20  -2.248   2.774  -3.429
  178   HD13  LEU  20          3HD1      LEU  20  -0.961   1.654  -3.872
  179   HD21  LEU  20          1HD2      LEU  20  -0.034   5.558  -2.494
  180   HD22  LEU  20          2HD2      LEU  20  -1.684   4.948  -2.377
  181   HD23  LEU  20          3HD2      LEU  20  -1.011   5.373  -3.951
  182    H    GLY  21           H        GLY  21  -0.097   0.698   0.384
  183    HA2  GLY  21          2HA       GLY  21   1.970   1.477   2.126
  184    HA3  GLY  21          1HA       GLY  21   0.778   0.227   2.451
  185    H    CYS  22           H        CYS  22   1.623  -1.293   0.055
  186    HA   CYS  22           HA       CYS  22   3.844  -2.696   1.277
  187    HB2  CYS  22          2HB       CYS  22   1.969  -4.012   0.481
  188    HB3  CYS  22          1HB       CYS  22   2.127  -3.330  -1.133
  189    HG   CYS  22           HG       CYS  22   4.180  -5.585   0.400
  190    H    LYS  23           H        LYS  23   3.289  -0.504  -1.367
  191    HA   LYS  23           HA       LYS  23   5.815  -1.226  -2.626
  192    HB2  LYS  23          2HB       LYS  23   3.857  -0.709  -4.035
  193    HB3  LYS  23          1HB       LYS  23   3.809   0.916  -3.368
  194    HG2  LYS  23          2HG       LYS  23   5.961   1.419  -4.355
  195    HG3  LYS  23          1HG       LYS  23   6.093  -0.232  -4.958
  196    HD2  LYS  23          2HD       LYS  23   4.094   0.123  -6.338
  197    HD3  LYS  23          1HD       LYS  23   3.986   1.780  -5.742
  198    HE2  LYS  23          2HE       LYS  23   6.146   2.297  -6.725
  199    HE3  LYS  23          1HE       LYS  23   6.320   0.630  -7.271
  200    HZ1  LYS  23          1HZ       LYS  23   5.576   2.092  -9.049
  201    HZ2  LYS  23          2HZ       LYS  23   4.204   2.515  -8.159
  202    HZ3  LYS  23          3HZ       LYS  23   4.404   0.926  -8.699
  203    H    VAL  24           H        VAL  24   4.389   1.538  -0.942
  204    HA   VAL  24           HA       VAL  24   6.855   3.050  -1.056
  205    HB   VAL  24           HB       VAL  24   4.427   3.946  -1.076
  206   HG11  VAL  24          1HG1      VAL  24   4.961   3.443   1.800
  207   HG12  VAL  24          2HG1      VAL  24   3.619   2.850   0.826
  208   HG13  VAL  24          3HG1      VAL  24   3.721   4.563   1.242
  209   HG21  VAL  24          1HG2      VAL  24   6.417   5.375  -1.047
  210   HG22  VAL  24          2HG2      VAL  24   6.490   5.227   0.709
  211   HG23  VAL  24          3HG2      VAL  24   5.123   6.036  -0.052
  212    H    VAL  25           H        VAL  25   5.998   0.438   0.692
  213    HA   VAL  25           HA       VAL  25   7.363   1.265   3.126
  214    HB   VAL  25           HB       VAL  25   5.455  -0.437   3.078
  215   HG11  VAL  25          1HG1      VAL  25   7.668  -2.194   2.033
  216   HG12  VAL  25          2HG1      VAL  25   6.206  -1.727   1.158
  217   HG13  VAL  25          3HG1      VAL  25   6.090  -2.759   2.591
  218   HG21  VAL  25          1HG2      VAL  25   6.470  -1.841   4.823
  219   HG22  VAL  25          2HG2      VAL  25   6.826  -0.129   5.047
  220   HG23  VAL  25          3HG2      VAL  25   8.057  -1.208   4.390
  221    H    VAL  26           H        VAL  26   7.928  -0.223   0.096
  222    HA   VAL  26           HA       VAL  26  10.321  -1.608   0.661
  223    HB   VAL  26           HB       VAL  26   9.283  -0.509  -1.944
  224   HG11  VAL  26          1HG1      VAL  26  10.733  -2.191  -3.005
  225   HG12  VAL  26          2HG1      VAL  26  11.367  -2.632  -1.419
  226   HG13  VAL  26          3HG1      VAL  26  11.660  -1.019  -2.068
  227   HG21  VAL  26          1HG2      VAL  26   8.424  -2.761  -2.351
  228   HG22  VAL  26          2HG2      VAL  26   7.713  -2.063  -0.897
  229   HG23  VAL  26          3HG2      VAL  26   8.989  -3.271  -0.763
  230    H    LEU  27           H        LEU  27   9.564   1.461  -0.754
  231    HA   LEU  27           HA       LEU  27  12.246   2.015  -1.406
  232    HB2  LEU  27          2HB       LEU  27  11.432   3.809  -2.623
  233    HB3  LEU  27          1HB       LEU  27  10.112   2.657  -2.637
  234    HG   LEU  27           HG       LEU  27  10.223   5.338  -1.399
  235   HD11  LEU  27          1HD1      LEU  27   7.993   5.420  -2.344
  236   HD12  LEU  27          2HD1      LEU  27   8.132   3.724  -2.814
  237   HD13  LEU  27          3HD1      LEU  27   9.180   4.936  -3.557
  238   HD21  LEU  27          1HD2      LEU  27   8.229   4.740  -0.074
  239   HD22  LEU  27          2HD2      LEU  27   9.738   4.043   0.506
  240   HD23  LEU  27          3HD2      LEU  27   8.603   3.042  -0.386
  241    H    LEU  28           H        LEU  28  10.397   2.570   1.424
  242    HA   LEU  28           HA       LEU  28  12.407   4.453   2.466
  243    HB2  LEU  28          2HB       LEU  28   9.896   3.461   3.823
  244    HB3  LEU  28          1HB       LEU  28  10.954   4.734   4.392
  245    HG   LEU  28           HG       LEU  28   9.191   4.830   1.966
  246   HD11  LEU  28          1HD1      LEU  28   7.951   5.000   4.032
  247   HD12  LEU  28          2HD1      LEU  28   7.996   6.565   3.220
  248   HD13  LEU  28          3HD1      LEU  28   9.042   6.260   4.607
  249   HD21  LEU  28          1HD2      LEU  28  11.239   6.075   1.570
  250   HD22  LEU  28          2HD2      LEU  28  11.036   6.922   3.103
  251   HD23  LEU  28          3HD2      LEU  28   9.882   7.178   1.795
  252    H    LYS  29           H        LYS  29  11.311   1.225   2.568
  253    HA   LYS  29           HA       LYS  29  11.857  -0.648   3.702
  254    HB2  LYS  29          2HB       LYS  29  14.194   0.981   4.714
  255    HB3  LYS  29          1HB       LYS  29  13.985  -0.742   4.997
  256    HG2  LYS  29          2HG       LYS  29  14.318   0.589   2.315
  257    HG3  LYS  29          1HG       LYS  29  15.547  -0.331   3.183
  258    HD2  LYS  29          2HD       LYS  29  14.231  -2.348   2.991
  259    HD3  LYS  29          1HD       LYS  29  12.902  -1.453   2.258
  260    HE2  LYS  29          2HE       LYS  29  14.115  -2.601   0.529
  261    HE3  LYS  29          1HE       LYS  29  14.394  -0.870   0.370
  262    HZ1  LYS  29          1HZ       LYS  29  16.519  -1.179   1.522
  263    HZ2  LYS  29          2HZ       LYS  29  16.442  -2.060   0.085
  264    HZ3  LYS  29          3HZ       LYS  29  16.253  -2.848   1.568
  265    H    ARG  30           H        ARG  30  10.082   1.323   4.624
  266    HA   ARG  30           HA       ARG  30   8.756   1.899   6.328
  267    HB2  ARG  30          2HB       ARG  30   8.625  -0.551   6.632
  268    HB3  ARG  30          1HB       ARG  30   9.972  -0.464   7.760
  269    HG2  ARG  30          2HG       ARG  30   8.665   0.936   9.244
  270    HG3  ARG  30          1HG       ARG  30   7.323   0.919   8.104
  271    HD2  ARG  30          2HD       ARG  30   6.986  -0.658   9.953
  272    HD3  ARG  30          1HD       ARG  30   7.067  -1.470   8.392
  273    HE   ARG  30           HE       ARG  30   9.385  -2.076   8.973
  274   HH11  ARG  30          1HH1      ARG  30   7.224  -1.149  11.576
  275   HH12  ARG  30          2HH1      ARG  30   8.061  -2.084  12.769
  276   HH21  ARG  30          1HH2      ARG  30  10.475  -3.317  10.544
  277   HH22  ARG  30          2HH2      ARG  30   9.904  -3.327  12.181
  Start of MODEL    9
    1    H1   MET   1          1H        MET   1 -33.299  -2.487  -5.145
    2    H2   MET   1          2H        MET   1 -32.670  -1.041  -4.539
    3    H3   MET   1          3H        MET   1 -34.320  -1.168  -4.884
    4    HA   MET   1           HA       MET   1 -33.931  -1.281  -2.530
    5    HB2  MET   1          2HB       MET   1 -35.136  -3.364  -2.052
    6    HB3  MET   1          1HB       MET   1 -35.837  -2.510  -3.417
    7    HG2  MET   1          2HG       MET   1 -34.846  -4.044  -4.966
    8    HG3  MET   1          1HG       MET   1 -33.932  -4.824  -3.676
    9    HE1  MET   1          1HE       MET   1 -38.523  -5.055  -4.079
   10    HE2  MET   1          2HE       MET   1 -37.481  -4.139  -5.168
   11    HE3  MET   1          3HE       MET   1 -37.689  -3.613  -3.497
   12    H    ALA   2           H        ALA   2 -32.210  -3.787  -4.302
   13    HA   ALA   2           HA       ALA   2 -30.825  -4.644  -1.897
   14    HB1  ALA   2          1HB       ALA   2 -30.501  -5.571  -4.753
   15    HB2  ALA   2          2HB       ALA   2 -31.544  -6.320  -3.543
   16    HB3  ALA   2          3HB       ALA   2 -29.793  -6.327  -3.325
   17    H    THR   3           H        THR   3 -30.195  -2.181  -1.989
   18    HA   THR   3           HA       THR   3 -28.033  -1.512  -3.762
   19    HB   THR   3           HB       THR   3 -28.865  -0.008  -1.279
   20    HG1  THR   3           HG1      THR   3 -30.082  -0.157  -3.844
   21   HG21  THR   3          1HG2      THR   3 -27.685   0.904  -3.910
   22   HG22  THR   3          2HG2      THR   3 -26.811   0.759  -2.385
   23   HG23  THR   3          3HG2      THR   3 -28.105   1.946  -2.550
   24    H    LYS   4           H        LYS   4 -25.873  -1.486  -3.311
   25    HA   LYS   4           HA       LYS   4 -24.956  -3.061  -1.107
   26    HB2  LYS   4          2HB       LYS   4 -23.397  -1.426  -3.116
   27    HB3  LYS   4          1HB       LYS   4 -22.694  -2.568  -1.977
   28    HG2  LYS   4          2HG       LYS   4 -23.995  -4.377  -3.035
   29    HG3  LYS   4          1HG       LYS   4 -24.603  -3.216  -4.215
   30    HD2  LYS   4          2HD       LYS   4 -21.698  -3.904  -3.780
   31    HD3  LYS   4          1HD       LYS   4 -22.709  -4.541  -5.077
   32    HE2  LYS   4          2HE       LYS   4 -23.034  -2.279  -5.937
   33    HE3  LYS   4          1HE       LYS   4 -22.048  -1.633  -4.626
   34    HZ1  LYS   4          1HZ       LYS   4 -21.117  -3.496  -6.741
   35    HZ2  LYS   4          2HZ       LYS   4 -20.167  -2.902  -5.474
   36    HZ3  LYS   4          3HZ       LYS   4 -20.765  -1.844  -6.650
   37    H    HIS   5           H        HIS   5 -25.292  -2.195   0.806
   38    HA   HIS   5           HA       HIS   5 -23.979   0.345   1.430
   39    HB2  HIS   5          2HB       HIS   5 -26.415   0.733   0.942
   40    HB3  HIS   5          1HB       HIS   5 -26.800  -0.322   2.295
   41    HD1  HIS   5           HD1      HIS   5 -26.634   0.657   4.645
   42    HD2  HIS   5           HD2      HIS   5 -25.297   3.251   1.684
   43    HE1  HIS   5           HE1      HIS   5 -26.366   2.889   5.771
   44    HE2  HIS   5           HE2      HIS   5 -25.497   4.430   3.977
   45    H    GLY   6           H        GLY   6 -22.412  -0.782   2.551
   46    HA2  GLY   6          2HA       GLY   6 -23.239  -1.770   5.163
   47    HA3  GLY   6          1HA       GLY   6 -22.397  -2.915   4.121
   48    H    LYS   7           H        LYS   7 -21.737   0.458   3.953
   49    HA   LYS   7           HA       LYS   7 -19.810   1.597   4.024
   50    HB2  LYS   7          2HB       LYS   7 -19.379   0.164   6.636
   51    HB3  LYS   7          1HB       LYS   7 -18.860   1.761   6.159
   52    HG2  LYS   7          2HG       LYS   7 -21.722   0.978   6.528
   53    HG3  LYS   7          1HG       LYS   7 -20.742   1.783   7.749
   54    HD2  LYS   7          2HD       LYS   7 -20.988   2.985   5.026
   55    HD3  LYS   7          1HD       LYS   7 -22.310   3.166   6.179
   56    HE2  LYS   7          2HE       LYS   7 -20.837   5.078   6.306
   57    HE3  LYS   7          1HE       LYS   7 -20.741   4.144   7.795
   58    HZ1  LYS   7          1HZ       LYS   7 -18.661   3.225   7.102
   59    HZ2  LYS   7          2HZ       LYS   7 -18.567   4.906   6.956
   60    HZ3  LYS   7          3HZ       LYS   7 -18.778   3.951   5.579
   61    H    ASN   8           H        ASN   8 -19.367  -0.262   2.307
   62    HA   ASN   8           HA       ASN   8 -16.840  -1.573   3.065
   63    HB2  ASN   8          2HB       ASN   8 -18.961  -2.388   1.071
   64    HB3  ASN   8          1HB       ASN   8 -17.357  -3.115   1.107
   65   HD21  ASN   8          1HD2      ASN   8 -19.951  -4.980   3.167
   66   HD22  ASN   8          2HD2      ASN   8 -20.050  -4.247   1.604
   67    H    SER   9           H        SER   9 -17.787   1.117   1.710
   68    HA   SER   9           HA       SER   9 -16.734   1.064  -0.904
   69    HB2  SER   9          2HB       SER   9 -16.843   3.576  -0.692
   70    HB3  SER   9          1HB       SER   9 -18.356   2.736  -0.345
   71    HG   SER   9           HG       SER   9 -16.702   4.187   1.329
   72    H    TRP  10           H        TRP  10 -15.316   1.639   2.200
   73    HA   TRP  10           HA       TRP  10 -12.946   2.901   1.322
   74    HB2  TRP  10          2HB       TRP  10 -12.005   2.183   3.493
   75    HB3  TRP  10          1HB       TRP  10 -13.531   2.973   3.690
   76    HD1  TRP  10           HD1      TRP  10 -15.683   1.272   4.237
   77    HE1  TRP  10           HE1      TRP  10 -15.620  -1.034   5.439
   78    HE3  TRP  10           HE3      TRP  10 -10.803   0.359   3.713
   79    HZ2  TRP  10           HZ2      TRP  10 -13.597  -2.997   6.039
   80    HZ3  TRP  10           HZ3      TRP  10  -9.830  -1.664   4.592
   81    HH2  TRP  10           HH2      TRP  10 -11.186  -3.340   5.732
   82    H    LYS  11           H        LYS  11 -13.927  -0.459   1.468
   83    HA   LYS  11           HA       LYS  11 -11.436  -1.677   1.814
   84    HB2  LYS  11          2HB       LYS  11 -13.740  -2.657   0.128
   85    HB3  LYS  11          1HB       LYS  11 -12.448  -3.616   0.806
   86    HG2  LYS  11          2HG       LYS  11 -13.224  -2.943   3.078
   87    HG3  LYS  11          1HG       LYS  11 -14.610  -2.174   2.303
   88    HD2  LYS  11          2HD       LYS  11 -15.107  -4.445   3.147
   89    HD3  LYS  11          1HD       LYS  11 -15.330  -4.295   1.399
   90    HE2  LYS  11          2HE       LYS  11 -13.240  -5.345   0.967
   91    HE3  LYS  11          1HE       LYS  11 -12.810  -5.309   2.682
   92    HZ1  LYS  11          1HZ       LYS  11 -14.633  -6.848   3.120
   93    HZ2  LYS  11          2HZ       LYS  11 -13.534  -7.507   2.019
   94    HZ3  LYS  11          3HZ       LYS  11 -15.012  -6.898   1.473
   95    H    THR  12           H        THR  12 -13.085  -0.655  -1.044
   96    HA   THR  12           HA       THR  12 -11.262  -1.530  -2.996
   97    HB   THR  12           HB       THR  12 -13.681  -0.010  -2.666
   98    HG1  THR  12           HG1      THR  12 -12.680  -2.036  -4.165
   99   HG21  THR  12          1HG2      THR  12 -11.913   0.797  -4.989
  100   HG22  THR  12          2HG2      THR  12 -12.435   1.836  -3.662
  101   HG23  THR  12          3HG2      THR  12 -13.619   1.213  -4.810
  102    H    LEU  13           H        LEU  13 -11.416   1.192  -0.911
  103    HA   LEU  13           HA       LEU  13  -9.383   2.776  -2.224
  104    HB2  LEU  13          2HB       LEU  13 -10.556   4.294  -1.016
  105    HB3  LEU  13          1HB       LEU  13 -11.323   3.024  -0.078
  106    HG   LEU  13           HG       LEU  13  -8.605   3.410   0.807
  107   HD11  LEU  13          1HD1      LEU  13  -8.866   5.683  -0.011
  108   HD12  LEU  13          2HD1      LEU  13  -8.844   5.650   1.752
  109   HD13  LEU  13          3HD1      LEU  13 -10.372   5.847   0.893
  110   HD21  LEU  13          1HD2      LEU  13 -11.236   3.848   2.225
  111   HD22  LEU  13          2HD2      LEU  13  -9.658   3.649   2.987
  112   HD23  LEU  13          3HD2      LEU  13 -10.389   2.302   2.108
  113    H    TYR  14           H        TYR  14  -9.717   0.476   0.313
  114    HA   TYR  14           HA       TYR  14  -7.285   1.245   1.624
  115    HB2  TYR  14          2HB       TYR  14  -9.238   0.761   2.920
  116    HB3  TYR  14          1HB       TYR  14  -9.365  -0.852   2.225
  117    HD1  TYR  14           HD1      TYR  14  -7.695  -2.550   2.792
  118    HD2  TYR  14           HD2      TYR  14  -7.814   1.241   4.695
  119    HE1  TYR  14           HE1      TYR  14  -6.225  -3.416   4.538
  120    HE2  TYR  14           HE2      TYR  14  -6.318   0.407   6.463
  121    HH   TYR  14           HH       TYR  14  -4.591  -2.489   6.206
  122    H    LEU  15           H        LEU  15  -8.468  -1.501  -0.249
  123    HA   LEU  15           HA       LEU  15  -6.068  -3.011   0.157
  124    HB2  LEU  15          2HB       LEU  15  -8.165  -3.362  -1.983
  125    HB3  LEU  15          1HB       LEU  15  -6.960  -4.527  -1.476
  126    HG   LEU  15           HG       LEU  15  -9.129  -3.508   0.331
  127   HD11  LEU  15          1HD1      LEU  15  -9.004  -6.082  -1.238
  128   HD12  LEU  15          2HD1      LEU  15 -10.105  -4.738  -1.542
  129   HD13  LEU  15          3HD1      LEU  15 -10.230  -5.659  -0.043
  130   HD21  LEU  15          1HD2      LEU  15  -8.500  -5.418   1.716
  131   HD22  LEU  15          2HD2      LEU  15  -7.139  -4.323   1.473
  132   HD23  LEU  15          3HD2      LEU  15  -7.225  -5.832   0.568
  133    H    LYS  16           H        LYS  16  -7.104  -0.455  -1.750
  134    HA   LYS  16           HA       LYS  16  -5.039  -0.539  -3.731
  135    HB2  LYS  16          2HB       LYS  16  -7.083   0.668  -4.204
  136    HB3  LYS  16          1HB       LYS  16  -6.966   1.556  -2.703
  137    HG2  LYS  16          2HG       LYS  16  -4.842   1.888  -4.763
  138    HG3  LYS  16          1HG       LYS  16  -6.395   2.710  -4.943
  139    HD2  LYS  16          2HD       LYS  16  -6.086   3.562  -2.597
  140    HD3  LYS  16          1HD       LYS  16  -4.438   2.939  -2.671
  141    HE2  LYS  16          2HE       LYS  16  -4.442   5.301  -3.222
  142    HE3  LYS  16          1HE       LYS  16  -4.014   4.356  -4.646
  143    HZ1  LYS  16          1HZ       LYS  16  -6.290   4.592  -5.437
  144    HZ2  LYS  16          2HZ       LYS  16  -5.579   6.104  -5.194
  145    HZ3  LYS  16          3HZ       LYS  16  -6.693   5.505  -4.073
  146    H    ILE  17           H        ILE  17  -5.655   0.963  -0.606
  147    HA   ILE  17           HA       ILE  17  -3.290   2.393  -0.290
  148    HB   ILE  17           HB       ILE  17  -5.372   1.300   1.542
  149   HG12  ILE  17          2HG1      ILE  17  -4.318   4.090   1.051
  150   HG13  ILE  17          1HG1      ILE  17  -5.756   3.392   0.312
  151   HG21  ILE  17          1HG2      ILE  17  -2.895   2.656   2.566
  152   HG22  ILE  17          2HG2      ILE  17  -3.258   0.939   2.722
  153   HG23  ILE  17          3HG2      ILE  17  -4.290   2.129   3.516
  154   HD11  ILE  17          1HD1      ILE  17  -5.356   3.921   3.248
  155   HD12  ILE  17          2HD1      ILE  17  -6.798   3.218   2.514
  156   HD13  ILE  17          3HD1      ILE  17  -6.336   4.878   2.137
  157    H    SER  18           H        SER  18  -4.183  -0.895   0.651
  158    HA   SER  18           HA       SER  18  -1.827  -1.676   1.930
  159    HB2  SER  18          2HB       SER  18  -3.496  -3.466   0.146
  160    HB3  SER  18          1HB       SER  18  -2.565  -3.927   1.572
  161    HG   SER  18           HG       SER  18  -4.038  -2.497   2.764
  162    H    PHE  19           H        PHE  19  -2.730  -1.628  -1.443
  163    HA   PHE  19           HA       PHE  19  -0.561  -3.120  -2.463
  164    HB2  PHE  19          2HB       PHE  19  -2.738  -2.756  -3.606
  165    HB3  PHE  19          1HB       PHE  19  -2.311  -1.065  -3.839
  166    HD1  PHE  19           HD1      PHE  19  -1.672  -4.496  -4.848
  167    HD2  PHE  19           HD2      PHE  19  -0.688  -0.407  -5.477
  168    HE1  PHE  19           HE1      PHE  19  -0.578  -5.096  -6.974
  169    HE2  PHE  19           HE2      PHE  19   0.410  -0.995  -7.606
  170    HZ   PHE  19           HZ       PHE  19   0.464  -3.341  -8.355
  171    H    LEU  20           H        LEU  20  -1.193   0.392  -2.440
  172    HA   LEU  20           HA       LEU  20   1.385   1.020  -3.507
  173    HB2  LEU  20          2HB       LEU  20  -0.640   2.771  -2.125
  174    HB3  LEU  20          1HB       LEU  20   0.773   3.349  -2.989
  175    HG   LEU  20           HG       LEU  20  -1.609   1.925  -4.162
  176   HD11  LEU  20          1HD1      LEU  20  -1.903   4.013  -5.403
  177   HD12  LEU  20          2HD1      LEU  20  -0.534   4.716  -4.541
  178   HD13  LEU  20          3HD1      LEU  20  -1.996   4.272  -3.660
  179   HD21  LEU  20          1HD2      LEU  20   0.459   1.182  -5.222
  180   HD22  LEU  20          2HD2      LEU  20   0.905   2.860  -5.527
  181   HD23  LEU  20          3HD2      LEU  20  -0.514   2.169  -6.314
  182    H    GLY  21           H        GLY  21   0.046   0.593  -0.355
  183    HA2  GLY  21          2HA       GLY  21   2.161   1.716   1.162
  184    HA3  GLY  21          1HA       GLY  21   1.019   0.499   1.723
  185    H    CYS  22           H        CYS  22   1.829  -1.256  -0.571
  186    HA   CYS  22           HA       CYS  22   4.046  -2.586   0.645
  187    HB2  CYS  22          2HB       CYS  22   2.538  -3.050  -1.931
  188    HB3  CYS  22          1HB       CYS  22   3.847  -4.086  -1.386
  189    HG   CYS  22           HG       CYS  22   0.830  -3.619   0.146
  190    H    LYS  23           H        LYS  23   3.672  -0.183  -1.807
  191    HA   LYS  23           HA       LYS  23   6.408  -0.528  -2.737
  192    HB2  LYS  23          2HB       LYS  23   4.257   1.443  -3.508
  193    HB3  LYS  23          1HB       LYS  23   5.885   1.469  -4.171
  194    HG2  LYS  23          2HG       LYS  23   3.934  -0.810  -4.414
  195    HG3  LYS  23          1HG       LYS  23   4.303   0.371  -5.671
  196    HD2  LYS  23          2HD       LYS  23   6.646  -0.372  -5.661
  197    HD3  LYS  23          1HD       LYS  23   6.254  -1.571  -4.428
  198    HE2  LYS  23          2HE       LYS  23   6.317  -2.619  -6.606
  199    HE3  LYS  23          1HE       LYS  23   4.672  -2.621  -5.981
  200    HZ1  LYS  23          1HZ       LYS  23   4.688  -2.007  -8.297
  201    HZ2  LYS  23          2HZ       LYS  23   5.770  -0.744  -8.000
  202    HZ3  LYS  23          3HZ       LYS  23   4.202  -0.680  -7.371
  203    H    VAL  24           H        VAL  24   4.465   1.715  -0.882
  204    HA   VAL  24           HA       VAL  24   6.784   3.364  -0.347
  205    HB   VAL  24           HB       VAL  24   3.912   3.649   0.517
  206   HG11  VAL  24          1HG1      VAL  24   5.501   4.793   2.030
  207   HG12  VAL  24          2HG1      VAL  24   4.398   5.880   1.188
  208   HG13  VAL  24          3HG1      VAL  24   6.063   5.720   0.644
  209   HG21  VAL  24          1HG2      VAL  24   3.888   5.443  -1.197
  210   HG22  VAL  24          2HG2      VAL  24   4.115   3.820  -1.855
  211   HG23  VAL  24          3HG2      VAL  24   5.498   4.909  -1.692
  212    H    VAL  25           H        VAL  25   5.999   0.498   0.769
  213    HA   VAL  25           HA       VAL  25   6.926   1.010   3.496
  214    HB   VAL  25           HB       VAL  25   5.335  -0.885   2.931
  215   HG11  VAL  25          1HG1      VAL  25   7.821  -2.076   1.724
  216   HG12  VAL  25          2HG1      VAL  25   6.337  -1.651   0.876
  217   HG13  VAL  25          3HG1      VAL  25   6.331  -2.961   2.058
  218   HG21  VAL  25          1HG2      VAL  25   6.567  -0.823   5.027
  219   HG22  VAL  25          2HG2      VAL  25   7.923  -1.647   4.261
  220   HG23  VAL  25          3HG2      VAL  25   6.376  -2.475   4.445
  221    H    VAL  26           H        VAL  26   8.032   0.214   0.339
  222    HA   VAL  26           HA       VAL  26  10.529  -0.943   0.982
  223    HB   VAL  26           HB       VAL  26   9.621   0.405  -1.552
  224   HG11  VAL  26          1HG1      VAL  26  11.898  -1.515  -1.061
  225   HG12  VAL  26          2HG1      VAL  26  12.030   0.189  -1.490
  226   HG13  VAL  26          3HG1      VAL  26  11.361  -0.962  -2.646
  227   HG21  VAL  26          1HG2      VAL  26   9.094  -1.848  -2.357
  228   HG22  VAL  26          2HG2      VAL  26   8.146  -1.436  -0.929
  229   HG23  VAL  26          3HG2      VAL  26   9.534  -2.514  -0.785
  230    H    LEU  27           H        LEU  27   9.571   2.185  -0.223
  231    HA   LEU  27           HA       LEU  27  12.120   3.279  -0.369
  232    HB2  LEU  27          2HB       LEU  27  11.093   5.290  -0.975
  233    HB3  LEU  27          1HB       LEU  27  10.041   4.024  -1.556
  234    HG   LEU  27           HG       LEU  27   9.521   6.142   0.430
  235   HD11  LEU  27          1HD1      LEU  27   7.325   6.044  -0.615
  236   HD12  LEU  27          2HD1      LEU  27   7.808   4.611  -1.514
  237   HD13  LEU  27          3HD1      LEU  27   8.598   6.160  -1.830
  238   HD21  LEU  27          1HD2      LEU  27   7.608   4.794   1.345
  239   HD22  LEU  27          2HD2      LEU  27   9.206   4.353   1.938
  240   HD23  LEU  27          3HD2      LEU  27   8.419   3.362   0.710
  241    H    LEU  28           H        LEU  28  10.127   2.736   2.302
  242    HA   LEU  28           HA       LEU  28  11.532   4.658   3.992
  243    HB2  LEU  28          2HB       LEU  28   9.315   4.981   4.407
  244    HB3  LEU  28          1HB       LEU  28   8.884   3.341   3.979
  245    HG   LEU  28           HG       LEU  28   9.817   2.613   6.173
  246   HD11  LEU  28          1HD1      LEU  28  11.243   4.532   6.654
  247   HD12  LEU  28          2HD1      LEU  28  10.048   4.318   7.933
  248   HD13  LEU  28          3HD1      LEU  28   9.828   5.582   6.726
  249   HD21  LEU  28          1HD2      LEU  28   7.514   4.553   6.186
  250   HD22  LEU  28          2HD2      LEU  28   7.848   3.360   7.440
  251   HD23  LEU  28          3HD2      LEU  28   7.439   2.831   5.810
  252    H    LYS  29           H        LYS  29  11.058   1.315   3.330
  253    HA   LYS  29           HA       LYS  29  12.087  -0.582   3.958
  254    HB2  LYS  29          2HB       LYS  29  14.120   0.934   3.666
  255    HB3  LYS  29          1HB       LYS  29  14.120   1.104   5.414
  256    HG2  LYS  29          2HG       LYS  29  15.719  -0.580   4.648
  257    HG3  LYS  29          1HG       LYS  29  14.471  -1.276   5.679
  258    HD2  LYS  29          2HD       LYS  29  14.984  -2.691   3.724
  259    HD3  LYS  29          1HD       LYS  29  13.307  -2.153   3.746
  260    HE2  LYS  29          2HE       LYS  29  14.248  -2.009   1.502
  261    HE3  LYS  29          1HE       LYS  29  13.838  -0.409   2.118
  262    HZ1  LYS  29          1HZ       LYS  29  16.558  -1.597   2.085
  263    HZ2  LYS  29          2HZ       LYS  29  16.164  -0.053   2.651
  264    HZ3  LYS  29          3HZ       LYS  29  15.984  -0.425   1.011
  265    H    ARG  30           H        ARG  30   9.999   0.523   5.540
  266    HA   ARG  30           HA       ARG  30  10.583  -0.872   8.047
  267    HB2  ARG  30          2HB       ARG  30  10.895   1.541   8.465
  268    HB3  ARG  30          1HB       ARG  30   9.260   1.840   7.898
  269    HG2  ARG  30          2HG       ARG  30   8.354   0.554   9.732
  270    HG3  ARG  30          1HG       ARG  30   9.985   0.169  10.288
  271    HD2  ARG  30          2HD       ARG  30  10.430   2.507  10.709
  272    HD3  ARG  30          1HD       ARG  30   8.857   2.953  10.052
  273    HE   ARG  30           HE       ARG  30   8.595   1.119  12.210
  274   HH11  ARG  30          1HH1      ARG  30   9.215   4.476  11.472
  275   HH12  ARG  30          2HH1      ARG  30   8.590   5.060  12.980
  276   HH21  ARG  30          1HH2      ARG  30   7.743   1.885  14.197
  277   HH22  ARG  30          2HH2      ARG  30   7.743   3.592  14.520
  Start of MODEL   10
    1    H1   MET   1          1H        MET   1 -31.457  -3.130  11.109
    2    H2   MET   1          2H        MET   1 -32.078  -1.636  10.629
    3    H3   MET   1          3H        MET   1 -32.206  -2.125  12.241
    4    HA   MET   1           HA       MET   1 -30.471  -0.475  11.967
    5    HB2  MET   1          2HB       MET   1 -30.309  -2.304  13.681
    6    HB3  MET   1          1HB       MET   1 -29.329  -3.216  12.540
    7    HG2  MET   1          2HG       MET   1 -27.626  -1.505  12.582
    8    HG3  MET   1          1HG       MET   1 -28.621  -0.507  13.640
    9    HE1  MET   1          1HE       MET   1 -25.616  -1.201  14.345
   10    HE2  MET   1          2HE       MET   1 -25.760  -1.606  16.054
   11    HE3  MET   1          3HE       MET   1 -26.672  -0.253  15.391
   12    H    ALA   2           H        ALA   2 -29.884   0.352  10.025
   13    HA   ALA   2           HA       ALA   2 -28.754  -1.329   7.974
   14    HB1  ALA   2          1HB       ALA   2 -30.273   0.498   7.394
   15    HB2  ALA   2          2HB       ALA   2 -28.701   0.692   6.619
   16    HB3  ALA   2          3HB       ALA   2 -29.113   1.664   8.032
   17    H    THR   3           H        THR   3 -26.777  -2.058   8.464
   18    HA   THR   3           HA       THR   3 -24.734  -0.314   9.520
   19    HB   THR   3           HB       THR   3 -24.422  -3.153   8.529
   20    HG1  THR   3           HG1      THR   3 -25.629  -3.663  10.186
   21   HG21  THR   3          1HG2      THR   3 -22.313  -1.961   8.894
   22   HG22  THR   3          2HG2      THR   3 -22.540  -3.224  10.103
   23   HG23  THR   3          3HG2      THR   3 -22.828  -1.537  10.525
   24    H    LYS   4           H        LYS   4 -26.035  -0.964   6.588
   25    HA   LYS   4           HA       LYS   4 -23.603  -0.289   5.103
   26    HB2  LYS   4          2HB       LYS   4 -26.290  -1.302   4.159
   27    HB3  LYS   4          1HB       LYS   4 -24.996  -0.817   3.074
   28    HG2  LYS   4          2HG       LYS   4 -23.565  -2.567   3.951
   29    HG3  LYS   4          1HG       LYS   4 -24.808  -3.025   5.113
   30    HD2  LYS   4          2HD       LYS   4 -25.138  -3.126   2.116
   31    HD3  LYS   4          1HD       LYS   4 -24.715  -4.508   3.126
   32    HE2  LYS   4          2HE       LYS   4 -26.828  -4.187   4.372
   33    HE3  LYS   4          1HE       LYS   4 -27.255  -2.887   3.262
   34    HZ1  LYS   4          1HZ       LYS   4 -28.294  -4.979   2.639
   35    HZ2  LYS   4          2HZ       LYS   4 -26.780  -5.716   2.502
   36    HZ3  LYS   4          3HZ       LYS   4 -27.213  -4.469   1.446
   37    H    HIS   5           H        HIS   5 -23.440   1.834   5.611
   38    HA   HIS   5           HA       HIS   5 -25.576   3.585   4.596
   39    HB2  HIS   5          2HB       HIS   5 -25.302   3.412   7.142
   40    HB3  HIS   5          1HB       HIS   5 -23.774   4.253   6.919
   41    HD1  HIS   5           HD1      HIS   5 -27.087   4.953   7.839
   42    HD2  HIS   5           HD2      HIS   5 -24.362   6.818   5.312
   43    HE1  HIS   5           HE1      HIS   5 -27.881   7.325   7.621
   44    HE2  HIS   5           HE2      HIS   5 -26.198   8.451   6.121
   45    H    GLY   6           H        GLY   6 -22.150   3.539   5.579
   46    HA2  GLY   6          2HA       GLY   6 -21.491   4.900   3.063
   47    HA3  GLY   6          1HA       GLY   6 -20.958   5.619   4.574
   48    H    LYS   7           H        LYS   7 -20.496   2.968   5.794
   49    HA   LYS   7           HA       LYS   7 -17.782   2.673   4.908
   50    HB2  LYS   7          2HB       LYS   7 -19.328   1.090   6.967
   51    HB3  LYS   7          1HB       LYS   7 -17.591   1.034   6.725
   52    HG2  LYS   7          2HG       LYS   7 -19.145   3.464   7.555
   53    HG3  LYS   7          1HG       LYS   7 -18.260   2.401   8.646
   54    HD2  LYS   7          2HD       LYS   7 -16.181   2.931   7.477
   55    HD3  LYS   7          1HD       LYS   7 -17.068   3.993   6.379
   56    HE2  LYS   7          2HE       LYS   7 -17.071   4.335   9.357
   57    HE3  LYS   7          1HE       LYS   7 -15.893   5.120   8.307
   58    HZ1  LYS   7          1HZ       LYS   7 -17.784   6.554   8.829
   59    HZ2  LYS   7          2HZ       LYS   7 -18.841   5.447   8.114
   60    HZ3  LYS   7          3HZ       LYS   7 -17.685   6.242   7.170
   61    H    ASN   8           H        ASN   8 -18.068   1.940   2.777
   62    HA   ASN   8           HA       ASN   8 -18.173  -0.942   2.610
   63    HB2  ASN   8          2HB       ASN   8 -20.553  -0.290   2.293
   64    HB3  ASN   8          1HB       ASN   8 -20.073   0.706   0.921
   65   HD21  ASN   8          1HD2      ASN   8 -20.850  -2.033  -1.066
   66   HD22  ASN   8          2HD2      ASN   8 -21.255  -0.426  -0.572
   67    H    SER   9           H        SER   9 -18.020   2.105   0.815
   68    HA   SER   9           HA       SER   9 -16.666   0.994  -1.418
   69    HB2  SER   9          2HB       SER   9 -16.860   3.895  -0.600
   70    HB3  SER   9          1HB       SER   9 -16.511   3.273  -2.214
   71    HG   SER   9           HG       SER   9 -18.728   3.920  -1.883
   72    H    TRP  10           H        TRP  10 -15.552   1.644   1.645
   73    HA   TRP  10           HA       TRP  10 -13.014   2.735   1.084
   74    HB2  TRP  10          2HB       TRP  10 -12.330   1.802   3.270
   75    HB3  TRP  10          1HB       TRP  10 -13.759   2.756   3.373
   76    HD1  TRP  10           HD1      TRP  10 -16.109   1.359   3.794
   77    HE1  TRP  10           HE1      TRP  10 -16.404  -0.937   4.973
   78    HE3  TRP  10           HE3      TRP  10 -11.390  -0.229   3.386
   79    HZ2  TRP  10           HZ2      TRP  10 -14.707  -3.149   5.631
   80    HZ3  TRP  10           HZ3      TRP  10 -10.745  -2.373   4.290
   81    HH2  TRP  10           HH2      TRP  10 -12.364  -3.843   5.381
   82    H    LYS  11           H        LYS  11 -14.227  -0.554   0.975
   83    HA   LYS  11           HA       LYS  11 -11.780  -1.903   1.199
   84    HB2  LYS  11          2HB       LYS  11 -14.386  -2.514  -0.138
   85    HB3  LYS  11          1HB       LYS  11 -13.005  -3.558  -0.355
   86    HG2  LYS  11          2HG       LYS  11 -12.928  -4.151   1.903
   87    HG3  LYS  11          1HG       LYS  11 -13.943  -2.788   2.372
   88    HD2  LYS  11          2HD       LYS  11 -14.875  -5.127   0.709
   89    HD3  LYS  11          1HD       LYS  11 -15.117  -4.975   2.450
   90    HE2  LYS  11          2HE       LYS  11 -16.288  -2.800   1.992
   91    HE3  LYS  11          1HE       LYS  11 -16.214  -3.201   0.279
   92    HZ1  LYS  11          1HZ       LYS  11 -18.335  -3.810   1.247
   93    HZ2  LYS  11          2HZ       LYS  11 -17.562  -4.820   2.367
   94    HZ3  LYS  11          3HZ       LYS  11 -17.506  -5.184   0.717
   95    H    THR  12           H        THR  12 -13.358  -0.386  -1.476
   96    HA   THR  12           HA       THR  12 -11.603  -1.073  -3.562
   97    HB   THR  12           HB       THR  12 -13.748   0.846  -2.977
   98    HG1  THR  12           HG1      THR  12 -13.157  -0.872  -5.164
   99   HG21  THR  12          1HG2      THR  12 -11.931   1.334  -5.343
  100   HG22  THR  12          2HG2      THR  12 -12.115   2.391  -3.942
  101   HG23  THR  12          3HG2      THR  12 -13.475   2.134  -5.034
  102    H    LEU  13           H        LEU  13 -11.519   1.320  -1.048
  103    HA   LEU  13           HA       LEU  13  -9.181   2.732  -2.026
  104    HB2  LEU  13          2HB       LEU  13 -10.144   4.250  -0.644
  105    HB3  LEU  13          1HB       LEU  13 -11.195   3.028   0.045
  106    HG   LEU  13           HG       LEU  13  -8.526   2.801   1.124
  107   HD11  LEU  13          1HD1      LEU  13  -9.919   5.451   1.466
  108   HD12  LEU  13          2HD1      LEU  13  -8.369   5.180   0.670
  109   HD13  LEU  13          3HD1      LEU  13  -8.529   4.896   2.402
  110   HD21  LEU  13          1HD2      LEU  13  -9.730   2.926   3.255
  111   HD22  LEU  13          2HD2      LEU  13 -10.529   1.809   2.145
  112   HD23  LEU  13          3HD2      LEU  13 -11.195   3.423   2.405
  113    H    TYR  14           H        TYR  14  -9.964   0.021  -0.109
  114    HA   TYR  14           HA       TYR  14  -7.780   0.249   1.701
  115    HB2  TYR  14          2HB       TYR  14  -9.987  -0.642   2.333
  116    HB3  TYR  14          1HB       TYR  14  -9.699  -2.042   1.305
  117    HD1  TYR  14           HD1      TYR  14  -8.175  -3.734   1.931
  118    HD2  TYR  14           HD2      TYR  14  -8.718  -0.299   4.361
  119    HE1  TYR  14           HE1      TYR  14  -6.873  -4.814   3.684
  120    HE2  TYR  14           HE2      TYR  14  -7.397  -1.360   6.155
  121    HH   TYR  14           HH       TYR  14  -5.458  -4.047   5.663
  122    H    LEU  15           H        LEU  15  -8.579  -1.936  -0.970
  123    HA   LEU  15           HA       LEU  15  -6.226  -3.497  -0.546
  124    HB2  LEU  15          2HB       LEU  15  -7.937  -3.425  -3.021
  125    HB3  LEU  15          1HB       LEU  15  -6.860  -4.703  -2.488
  126    HG   LEU  15           HG       LEU  15  -9.304  -3.880  -0.961
  127   HD11  LEU  15          1HD1      LEU  15 -10.363  -5.887  -1.880
  128   HD12  LEU  15          2HD1      LEU  15  -8.951  -6.157  -2.904
  129   HD13  LEU  15          3HD1      LEU  15  -9.957  -4.730  -3.149
  130   HD21  LEU  15          1HD2      LEU  15  -7.553  -4.977   0.342
  131   HD22  LEU  15          2HD2      LEU  15  -7.557  -6.326  -0.794
  132   HD23  LEU  15          3HD2      LEU  15  -8.983  -5.995   0.189
  133    H    LYS  16           H        LYS  16  -6.994  -0.578  -1.978
  134    HA   LYS  16           HA       LYS  16  -4.703  -0.320  -3.676
  135    HB2  LYS  16          2HB       LYS  16  -6.672   1.024  -4.133
  136    HB3  LYS  16          1HB       LYS  16  -6.719   1.597  -2.482
  137    HG2  LYS  16          2HG       LYS  16  -4.352   2.234  -4.166
  138    HG3  LYS  16          1HG       LYS  16  -5.853   3.139  -4.373
  139    HD2  LYS  16          2HD       LYS  16  -5.853   3.574  -1.926
  140    HD3  LYS  16          1HD       LYS  16  -4.270   2.804  -1.835
  141    HE2  LYS  16          2HE       LYS  16  -3.988   5.204  -1.937
  142    HE3  LYS  16          1HE       LYS  16  -3.399   4.479  -3.431
  143    HZ1  LYS  16          1HZ       LYS  16  -6.041   5.778  -3.074
  144    HZ2  LYS  16          2HZ       LYS  16  -5.469   5.093  -4.507
  145    HZ3  LYS  16          3HZ       LYS  16  -4.711   6.459  -3.860
  146    H    ILE  17           H        ILE  17  -5.701   0.550  -0.413
  147    HA   ILE  17           HA       ILE  17  -3.387   1.817   0.469
  148    HB   ILE  17           HB       ILE  17  -5.701   0.461   1.757
  149   HG12  ILE  17          2HG1      ILE  17  -4.517   3.228   2.016
  150   HG13  ILE  17          1HG1      ILE  17  -5.871   2.781   0.981
  151   HG21  ILE  17          1HG2      ILE  17  -4.876   0.786   3.985
  152   HG22  ILE  17          2HG2      ILE  17  -3.356   1.438   3.364
  153   HG23  ILE  17          3HG2      ILE  17  -3.766  -0.255   3.089
  154   HD11  ILE  17          1HD1      ILE  17  -6.640   3.869   3.001
  155   HD12  ILE  17          2HD1      ILE  17  -5.815   2.661   3.987
  156   HD13  ILE  17          3HD1      ILE  17  -7.172   2.187   2.965
  157    H    SER  18           H        SER  18  -4.409  -1.562   0.620
  158    HA   SER  18           HA       SER  18  -2.136  -2.576   1.938
  159    HB2  SER  18          2HB       SER  18  -3.875  -4.028  -0.070
  160    HB3  SER  18          1HB       SER  18  -2.903  -4.751   1.210
  161    HG   SER  18           HG       SER  18  -4.331  -3.252   2.593
  162    H    PHE  19           H        PHE  19  -2.655  -1.535  -1.288
  163    HA   PHE  19           HA       PHE  19  -0.518  -3.125  -2.419
  164    HB2  PHE  19          2HB       PHE  19  -2.680  -2.547  -3.610
  165    HB3  PHE  19          1HB       PHE  19  -2.074  -0.901  -3.741
  166    HD1  PHE  19           HD1      PHE  19  -1.899  -4.270  -5.007
  167    HD2  PHE  19           HD2      PHE  19  -0.065  -0.436  -5.103
  168    HE1  PHE  19           HE1      PHE  19  -0.724  -4.890  -7.080
  169    HE2  PHE  19           HE2      PHE  19   1.111  -1.044  -7.175
  170    HZ   PHE  19           HZ       PHE  19   0.783  -3.275  -8.167
  171    H    LEU  20           H        LEU  20  -1.204   0.390  -2.250
  172    HA   LEU  20           HA       LEU  20   1.445   1.059  -3.016
  173    HB2  LEU  20          2HB       LEU  20  -0.867   2.637  -1.974
  174    HB3  LEU  20          1HB       LEU  20   0.712   3.383  -2.130
  175    HG   LEU  20           HG       LEU  20   0.681   2.681  -4.554
  176   HD11  LEU  20          1HD1      LEU  20  -1.055   0.956  -4.278
  177   HD12  LEU  20          2HD1      LEU  20  -1.402   2.104  -5.571
  178   HD13  LEU  20          3HD1      LEU  20  -2.241   2.235  -4.026
  179   HD21  LEU  20          1HD2      LEU  20   0.268   4.971  -3.901
  180   HD22  LEU  20          2HD2      LEU  20  -1.425   4.602  -3.583
  181   HD23  LEU  20          3HD2      LEU  20  -0.802   4.522  -5.229
  182    H    GLY  21           H        GLY  21  -0.151   0.713   0.105
  183    HA2  GLY  21          2HA       GLY  21   1.966   1.785   1.656
  184    HA3  GLY  21          1HA       GLY  21   0.753   0.644   2.226
  185    H    CYS  22           H        CYS  22   1.692  -1.068  -0.155
  186    HA   CYS  22           HA       CYS  22   3.761  -2.499   1.281
  187    HB2  CYS  22          2HB       CYS  22   1.850  -3.704   0.260
  188    HB3  CYS  22          1HB       CYS  22   2.372  -3.163  -1.329
  189    HG   CYS  22           HG       CYS  22   3.551  -5.650   0.593
  190    H    LYS  23           H        LYS  23   3.384  -0.421  -1.504
  191    HA   LYS  23           HA       LYS  23   6.086  -0.984  -2.421
  192    HB2  LYS  23          2HB       LYS  23   4.066   1.024  -3.424
  193    HB3  LYS  23          1HB       LYS  23   5.594   0.638  -4.201
  194    HG2  LYS  23          2HG       LYS  23   4.835  -1.653  -4.568
  195    HG3  LYS  23          1HG       LYS  23   3.304  -1.272  -3.779
  196    HD2  LYS  23          2HD       LYS  23   3.024  -1.196  -6.177
  197    HD3  LYS  23          1HD       LYS  23   2.870   0.429  -5.514
  198    HE2  LYS  23          2HE       LYS  23   5.124   0.966  -6.196
  199    HE3  LYS  23          1HE       LYS  23   5.385  -0.688  -6.748
  200    HZ1  LYS  23          1HZ       LYS  23   3.761  -0.382  -8.461
  201    HZ2  LYS  23          2HZ       LYS  23   4.872   0.890  -8.553
  202    HZ3  LYS  23          3HZ       LYS  23   3.347   1.149  -7.877
  203    H    VAL  24           H        VAL  24   4.314   1.505  -0.744
  204    HA   VAL  24           HA       VAL  24   6.645   3.206  -0.599
  205    HB   VAL  24           HB       VAL  24   3.900   3.506   0.609
  206   HG11  VAL  24          1HG1      VAL  24   4.422   5.790   1.063
  207   HG12  VAL  24          2HG1      VAL  24   6.014   5.604   0.339
  208   HG13  VAL  24          3HG1      VAL  24   5.630   4.768   1.840
  209   HG21  VAL  24          1HG2      VAL  24   3.622   5.191  -1.192
  210   HG22  VAL  24          2HG2      VAL  24   3.800   3.534  -1.771
  211   HG23  VAL  24          3HG2      VAL  24   5.167   4.648  -1.854
  212    H    VAL  25           H        VAL  25   6.044   0.413   0.800
  213    HA   VAL  25           HA       VAL  25   7.246   1.132   3.360
  214    HB   VAL  25           HB       VAL  25   5.620  -0.873   2.840
  215   HG11  VAL  25          1HG1      VAL  25   6.842  -2.995   2.525
  216   HG12  VAL  25          2HG1      VAL  25   8.308  -2.063   2.206
  217   HG13  VAL  25          3HG1      VAL  25   6.924  -1.927   1.121
  218   HG21  VAL  25          1HG2      VAL  25   8.007  -1.151   4.648
  219   HG22  VAL  25          2HG2      VAL  25   6.519  -2.095   4.755
  220   HG23  VAL  25          3HG2      VAL  25   6.483  -0.355   5.039
  221    H    VAL  26           H        VAL  26   7.991   0.141   0.182
  222    HA   VAL  26           HA       VAL  26  10.564  -0.983   0.592
  223    HB   VAL  26           HB       VAL  26   9.300   0.138  -1.902
  224   HG11  VAL  26          1HG1      VAL  26  11.616  -1.772  -1.584
  225   HG12  VAL  26          2HG1      VAL  26  11.714  -0.096  -2.122
  226   HG13  VAL  26          3HG1      VAL  26  10.884  -1.296  -3.113
  227   HG21  VAL  26          1HG2      VAL  26   9.326  -2.695  -0.857
  228   HG22  VAL  26          2HG2      VAL  26   8.699  -2.190  -2.426
  229   HG23  VAL  26          3HG2      VAL  26   7.927  -1.624  -0.944
  230    H    LEU  27           H        LEU  27   9.371   2.035  -0.679
  231    HA   LEU  27           HA       LEU  27  11.866   3.080  -1.292
  232    HB2  LEU  27          2HB       LEU  27  10.794   5.067  -1.915
  233    HB3  LEU  27          1HB       LEU  27   9.692   3.763  -2.284
  234    HG   LEU  27           HG       LEU  27   9.367   6.046  -0.461
  235   HD11  LEU  27          1HD1      LEU  27   7.506   4.289  -2.046
  236   HD12  LEU  27          2HD1      LEU  27   8.142   5.862  -2.534
  237   HD13  LEU  27          3HD1      LEU  27   7.030   5.741  -1.170
  238   HD21  LEU  27          1HD2      LEU  27   9.366   4.362   1.211
  239   HD22  LEU  27          2HD2      LEU  27   8.350   3.307   0.237
  240   HD23  LEU  27          3HD2      LEU  27   7.691   4.810   0.894
  241    H    LEU  28           H        LEU  28  10.307   2.835   1.751
  242    HA   LEU  28           HA       LEU  28  12.063   4.857   2.957
  243    HB2  LEU  28          2HB       LEU  28  10.073   3.050   4.334
  244    HB3  LEU  28          1HB       LEU  28  10.894   4.427   5.036
  245    HG   LEU  28           HG       LEU  28   8.794   4.502   2.888
  246   HD11  LEU  28          1HD1      LEU  28   7.450   5.625   4.587
  247   HD12  LEU  28          2HD1      LEU  28   8.751   5.410   5.757
  248   HD13  LEU  28          3HD1      LEU  28   7.918   4.003   5.097
  249   HD21  LEU  28          1HD2      LEU  28  10.432   6.265   2.524
  250   HD22  LEU  28          2HD2      LEU  28  10.294   6.762   4.211
  251   HD23  LEU  28          3HD2      LEU  28   8.918   6.945   3.122
  252    H    LYS  29           H        LYS  29  11.751   1.530   2.407
  253    HA   LYS  29           HA       LYS  29  12.985  -0.308   2.892
  254    HB2  LYS  29          2HB       LYS  29  14.977   1.692   3.984
  255    HB3  LYS  29          1HB       LYS  29  15.293  -0.026   3.787
  256    HG2  LYS  29          2HG       LYS  29  14.600   1.858   1.543
  257    HG3  LYS  29          1HG       LYS  29  16.237   1.379   1.984
  258    HD2  LYS  29          2HD       LYS  29  14.058  -0.533   1.145
  259    HD3  LYS  29          1HD       LYS  29  15.307   0.097   0.071
  260    HE2  LYS  29          2HE       LYS  29  17.028  -0.918   1.494
  261    HE3  LYS  29          1HE       LYS  29  15.771  -1.560   2.550
  262    HZ1  LYS  29          1HZ       LYS  29  14.914  -2.817   0.641
  263    HZ2  LYS  29          2HZ       LYS  29  16.500  -3.248   1.027
  264    HZ3  LYS  29          3HZ       LYS  29  16.196  -2.253  -0.304
  265    H    ARG  30           H        ARG  30  10.983   0.647   4.606
  266    HA   ARG  30           HA       ARG  30  10.034   0.347   6.627
  267    HB2  ARG  30          2HB       ARG  30  12.205  -1.698   6.711
  268    HB3  ARG  30          1HB       ARG  30  11.233  -1.407   8.148
  269    HG2  ARG  30          2HG       ARG  30  10.155  -3.176   7.117
  270    HG3  ARG  30          1HG       ARG  30   9.216  -1.779   6.588
  271    HD2  ARG  30          2HD       ARG  30   9.574  -3.188   4.693
  272    HD3  ARG  30          1HD       ARG  30  10.578  -1.756   4.497
  273    HE   ARG  30           HE       ARG  30  12.461  -3.152   5.297
  274   HH11  ARG  30          1HH1      ARG  30   9.627  -4.734   3.976
  275   HH12  ARG  30          2HH1      ARG  30  10.500  -6.141   3.468
  276   HH21  ARG  30          1HH2      ARG  30  13.600  -5.013   4.645
  277   HH22  ARG  30          2HH2      ARG  30  12.755  -6.301   3.845