*HEADER    PROTEIN                                 24-JAN-17   5MXS              
*TITLE     PEPTIDE-MEMBRANE INTERACTION BETWEEN TARGETING AND LYSIS              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRP-TYR-HIS-ARG-LEU-SER-HIS-LEU-HIS-SER-ARG-LEU-GLN-ASP-   
*COMPND   3 NH2;                                                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   3 ORGANISM_TAXID: 32630;                                               
*SOURCE   4 EXPRESSION_SYSTEM: SYNTHETIC CONSTRUCT;                              
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 32630                                       
*KEYWDS    PROTEIN                                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.BLATTER                                                             
*REVDAT   1   22-FEB-17 5MXS    0                                                
# Restraints file 1: MS-TMLHE2-15.upl
1 TRP  HA      1 TRP  HD1     4.88            #peak 128 #SUP 0.95 #QF 0.95
1 TRP  HA      1 TRP  HE3     4.08            #peak 105 #SUP 0.91 #QF 0.91
1 TRP  HA      4 ARG  QD      4.97            #peak 237 #SUP 0.87 #QF 0.22
1 TRP  HB3     1 TRP  HD1     3.76            #peak 129 #SUP 0.67 #QF 0.67
1 TRP  HB3     2 TYR  H       4.31            #peak 23 #SUP 0.79 #QF 0.79
1 TRP  HD1     2 TYR  H       5.16            #peak 29 #SUP 0.95 #QF 0.95
1 TRP  HE3     2 TYR  H       4.71            #peak 98 #SUP 0.90 #QF 0.90
1 TRP  HE3     2 TYR  HA      4.97            #peak 104 #SUP 0.88 #QF 0.88
1 TRP  HH2     5 LEU  HA      5.50            #peak 135 #SUP 0.90 #QF 0.90
1 TRP  HH2     5 LEU  HB2     4.89            #peak 461 #SUP 0.75 #QF 0.75
1 TRP  HH2     5 LEU  HG      5.25            #peak 469 #SUP 0.69 #QF 0.37
1 TRP  HZ2     2 TYR  QE      3.00            #peak 165 #SUP 0.90 #QF 0.90
2 TYR  H       2 TYR  HA      2.85            #peak 25 #SUP 0.94 #QF 0.94
2 TYR  H       2 TYR  HB2     3.60            #peak 36 #SUP 0.98 #QF 0.96
2 TYR  H       2 TYR  HB3     3.91            #peak 35 #SUP 0.98 #QF 0.95
2 TYR  H       2 TYR  QD      3.99            #peak 157 #SUP 0.84 #QF 0.84
2 TYR  H       3 HIS  HE1     4.95            #peak 146 #SUP 0.77 #QF 0.33
2 TYR  HA      2 TYR  QD      3.50            #peak 161 #SUP 0.83 #QF 0.83
2 TYR  HA      2 TYR  QE      5.50            #peak 213 #SUP 0.93 #QF 0.93
2 TYR  HB2     5 LEU  QD2     5.50            #peak 398 #SUP 0.94 #QF 0.94
2 TYR  HB3     3 HIS  H       4.12            #peak 35 #SUP 0.98 #QF 0.95
2 TYR  HB3     4 ARG  H       5.50            #peak 381 #SUP 0.95 #QF 0.75
2 TYR  HB3     5 LEU  H       5.50            #peak 381 #SUP 0.95 #QF 0.75
2 TYR  HB3     5 LEU  QD2     4.78            #peak 504 #SUP 0.84 #QF 0.84
2 TYR  QD      5 LEU  H       5.28            #peak 48 #SUP 0.82 #QF 0.82
2 TYR  QD      5 LEU  HG      5.50            #peak 470 #SUP 0.67 #QF 0.67
3 HIS  H       3 HIS  HB2     4.14            #peak 361 #SUP 0.67 #QF 0.67
3 HIS  H       3 HIS  HB3     3.78            #peak 38 #SUP 0.97 #QF 0.97
3 HIS  H       3 HIS  HE1     5.21            #peak 146 #SUP 0.77 #QF 0.33
3 HIS  HA      3 HIS  HB3     2.92            #peak 206 #SUP 0.87 #QF 0.87
3 HIS  HB2     4 ARG  H       4.01            #peak 51 #SUP 0.78 #QF 0.78
3 HIS  HB3     3 HIS  HE1     5.00            #peak 371 #SUP 0.97 #QF 0.97
3 HIS  HB3     4 ARG  H       4.42            #peak 52 #SUP 0.99 #QF 0.99
3 HIS  HD2     7 HIS  HE1     5.17            #peak 117 #SUP 0.96 #QF 0.27
3 HIS  HE1     4 ARG  H       5.05            #peak 141 #SUP 0.96 #QF 0.96
3 HIS  HE1     4 ARG  HG2     5.50            #peak 469 #SUP 0.69 #QF 0.37
4 ARG  H       4 ARG  HA      2.85            #peak 270 #SUP 0.89 #QF 0.89
4 ARG  H       4 ARG  HB2     3.54            #peak 55 #SUP 0.98 #QF 0.95
4 ARG  H       4 ARG  HB3     4.01            #peak 54 #SUP 0.94 #QF 0.77
4 ARG  H       4 ARG  HG3     3.99            #peak 483 #SUP 0.98 #QF 0.74
4 ARG  H       4 ARG  QD      4.75            #peak 362 #SUP 0.91 #QF 0.82
4 ARG  HA      4 ARG  HG2     3.63            #peak 260 #SUP 0.95 #QF 0.44
4 ARG  HA      4 ARG  QD      4.56            #peak 267 #SUP 0.94 #QF 0.90
4 ARG  HA      7 HIS  HE1     5.49            #peak 264 #SUP 0.82 #QF 0.82
4 ARG  HB2     4 ARG  QD      4.08            #peak 356 #SUP 0.75 #QF 0.75
4 ARG  HB2     5 LEU  H       4.02            #peak 55 #SUP 0.98 #QF 0.95
4 ARG  HB3     4 ARG  QD      3.96            #peak 353 #SUP 0.85 #QF 0.85
4 ARG  HB3     5 LEU  H       4.52            #peak 54 #SUP 0.94 #QF 0.77
4 ARG  HB3     8 LEU  H       4.68            #peak 437 #SUP 0.90 #QF 0.90
4 ARG  HG2     7 HIS  HB2     5.50            #peak 312 #SUP 0.85 #QF 0.36
4 ARG  QD      8 LEU  QD1     5.50            #peak 347 #SUP 0.94 #QF 0.69
5 LEU  H       5 LEU  HB2     3.49            #peak 56 #SUP 0.91 #QF 0.63
5 LEU  H       5 LEU  QD1     4.74            #peak 516 #SUP 1.00 #QF 0.97
5 LEU  H       5 LEU  QD2     5.21            #peak 57 #SUP 0.99 #QF 0.85
5 LEU  H       6 SER  H       3.78            #peak 46 #SUP 0.86 #QF 0.60
5 LEU  HA      5 LEU  HG      3.80            #peak 231 #SUP 0.97 #QF 0.75
5 LEU  HA      5 LEU  QD1     3.55            #peak 521 #SUP 0.62 #QF 0.62
5 LEU  HA      9 HIS  H       4.20            #peak 223 #SUP 0.99 #QF 0.99
5 LEU  HA      9 HIS  HE1     4.98            #peak 120 #SUP 0.84 #QF 0.84
5 LEU  HB2     5 LEU  QD1     3.32            #peak 514 #SUP 0.93 #QF 0.76
5 LEU  HB3     6 SER  H       3.44            #peak 487 #SUP 0.79 #QF 0.79
5 LEU  HG      6 SER  HB2     5.50            #peak 475 #SUP 0.92 #QF 0.92
5 LEU  HG      9 HIS  HB2     5.47            #peak 478 #SUP 0.85 #QF 0.62
5 LEU  HG      9 HIS  HB3     5.50            #peak 480 #SUP 0.66 #QF 0.28
5 LEU  HG      9 HIS  HE1     5.50            #peak 473 #SUP 0.97 #QF 0.87
5 LEU  QD1     9 HIS  H       5.29            #peak 14 #SUP 0.90 #QF 0.31
5 LEU  QD1     9 HIS  HB2     5.50            #peak 347 #SUP 0.94 #QF 0.69
5 LEU  QD1     9 HIS  HD2     4.84            #peak 2 #SUP 0.72 #QF 0.72
5 LEU  QD1     9 HIS  HE1     5.04            #peak 124 #SUP 0.92 #QF 0.92
5 LEU  QD2     6 SER  H       4.28            #peak 93 #SUP 0.99 #QF 0.88
5 LEU  QD2     6 SER  HA      4.93            #peak 232 #SUP 1.00 #QF 0.85
5 LEU  QD2     9 HIS  H       5.25            #peak 13 #SUP 0.90 #QF 0.34
5 LEU  QD2     9 HIS  HB2     5.50            #peak 351 #SUP 0.83 #QF 0.35
5 LEU  QD2     9 HIS  HE1     4.74            #peak 127 #SUP 0.68 #QF 0.68
6 SER  H       6 SER  HA      2.83            #peak 225 #SUP 0.96 #QF 0.96
6 SER  H       6 SER  HB2     3.63            #peak 81 #SUP 0.95 #QF 0.95
6 SER  H       6 SER  HB3     3.64            #peak 82 #SUP 0.89 #QF 0.89
6 SER  H       7 HIS  H       3.62            #peak 85 #SUP 0.97 #QF 0.82
6 SER  H       9 HIS  HB2     5.50            #peak 336 #SUP 0.98 #QF 0.90
6 SER  HA      9 HIS  HB2     4.95            #peak 230 #SUP 0.97 #QF 0.75
6 SER  HA      9 HIS  HB3     4.65            #peak 229 #SUP 0.78 #QF 0.78
6 SER  HB2     7 HIS  H       4.23            #peak 19 #SUP 0.98 #QF 0.98
6 SER  HB2     7 HIS  HE1     5.50            #peak 289 #SUP 0.73 #QF 0.73
6 SER  HB3     7 HIS  H       4.42            #peak 20 #SUP 0.97 #QF 0.97
6 SER  HB3     7 HIS  HE1     5.50            #peak 298 #SUP 0.85 #QF 0.85
7 HIS  H       7 HIS  HB2     3.72            #peak 314 #SUP 0.78 #QF 0.38
7 HIS  H       7 HIS  HE1     5.40            #peak 117 #SUP 0.96 #QF 0.27
7 HIS  H       8 LEU  H       4.05            #peak 85 #SUP 0.97 #QF 0.82
7 HIS  HA      7 HIS  HB3     2.95            #peak 182 #SUP 0.94 #QF 0.94
7 HIS  HA      7 HIS  HE1     5.17            #peak 179 #SUP 0.93 #QF 0.93
7 HIS  HB2     8 LEU  QD1     5.50            #peak 519 #SUP 0.98 #QF 0.83
7 HIS  HB2     8 LEU  QD2     5.50            #peak 313 #SUP 0.97 #QF 0.96
7 HIS  HB3     8 LEU  H       4.20            #peak 88 #SUP 0.96 #QF 0.96
7 HIS  HB3     8 LEU  HA      5.00            #peak 267 #SUP 0.94 #QF 0.90
7 HIS  HB3     8 LEU  QD1     5.50            #peak 347 #SUP 0.94 #QF 0.69
8 LEU  H      11 ARG  HB2     5.43            #peak 89 #SUP 0.95 #QF 0.89
8 LEU  H       8 LEU  HB2     3.22            #peak 92 #SUP 0.91 #QF 0.91
8 LEU  H       8 LEU  HB3     3.51            #peak 472 #SUP 0.98 #QF 0.98
8 LEU  H       8 LEU  QD1     4.13            #peak 94 #SUP 1.00
8 LEU  H       8 LEU  QD2     4.89            #peak 93 #SUP 0.99 #QF 0.88
8 LEU  H       9 HIS  H       4.08            #peak 85 #SUP 0.97 #QF 0.82
8 LEU  H       9 HIS  HB2     5.50            #peak 336 #SUP 0.98 #QF 0.90
8 LEU  HA     11 ARG  H       5.50            #peak 262 #SUP 0.87 #QF 0.81
8 LEU  HA     11 ARG  QG      4.47            #peak 253
8 LEU  HA      8 LEU  HG      3.64            #peak 256 #SUP 0.97 #QF 0.97
8 LEU  HA      8 LEU  QD1     3.38            #peak 518 #SUP 0.69 #QF 0.69
8 LEU  HA      8 LEU  QD2     3.80            #peak 510 #SUP 0.94 #QF 0.94
8 LEU  HB2     8 LEU  QD1     3.35            #peak 520 #SUP 0.83 #QF 0.55
8 LEU  HB2     8 LEU  QD2     3.62            #peak 495 #SUP 0.98 #QF 0.73
8 LEU  HB2     9 HIS  H       3.97            #peak 12 #SUP 0.81 #QF 0.81
8 LEU  HB2     9 HIS  HE1     5.50            #peak 499 #SUP 0.68 #QF 0.68
8 LEU  HB3     8 LEU  QD2     3.45            #peak 505 #SUP 0.99 #QF 0.95
8 LEU  HB3     9 HIS  H       4.59            #peak 11 #SUP 0.97 #QF 0.28
8 LEU  QD1     9 HIS  H       5.50            #peak 14 #SUP 0.90 #QF 0.31
8 LEU  QD2     9 HIS  H       5.15            #peak 13 #SUP 0.90 #QF 0.34
8 LEU  QD2     9 HIS  HA      5.50            #peak 196 #SUP 0.83 #QF 0.44
9 HIS  H       9 HIS  HE1     5.50            #peak 5 #SUP 0.95 #QF 0.33
9 HIS  HA     10 SER  H       3.57            #peak 194 #SUP 0.84 #QF 0.84
9 HIS  HA     12 LEU  HB2     5.43            #peak 190 #SUP 0.99 #QF 0.98
9 HIS  HA     12 LEU  HB3     4.99            #peak 195 #SUP 0.60 #QF 0.60
9 HIS  HA     12 LEU  QD1     5.50            #peak 196 #SUP 0.83 #QF 0.44
9 HIS  HA     12 LEU  QD2     5.50            #peak 191 #SUP 0.98 #QF 0.44
9 HIS  HA      9 HIS  HE1     4.93            #peak 125 #SUP 0.66 #QF 0.66
9 HIS  HB2     9 HIS  HE1     5.09            #peak 337 #SUP 0.94 #QF 0.94
10 SER  H      10 SER  HB2     3.80            #peak 62 #SUP 0.94 #QF 0.94
10 SER  H      10 SER  HB3     3.80            #peak 63 #SUP 0.91 #QF 0.91
10 SER  H      13 GLN  QG      5.50            #peak 406 #SUP 0.97 #QF 0.88
10 SER  HA     13 GLN  H       4.60            #peak 219 #SUP 0.87 #QF 0.87
10 SER  HA     13 GLN  HB3     5.50            #peak 423 #SUP 0.97 #QF 0.97
10 SER  HA     13 GLN  QG      5.50            #peak 222 #SUP 0.92 #QF 0.92
10 SER  HB2    11 ARG  H       4.68            #peak 274 #SUP 0.98 #QF 0.98
10 SER  HB3    11 ARG  H       4.68            #peak 43 #SUP 0.94 #QF 0.94
10 SER  QB     11 ARG  H       3.96            #peak 274
10 SER  QB     11 ARG  QG      4.26            #peak 276
10 SER  QB     13 GLN  H       5.31            #peak 278
10 SER  QB     13 GLN  QG      5.34            #peak 293
11 ARG  H      11 ARG  HB2     3.93            #peak 44 #SUP 0.89 #QF 0.89
11 ARG  H      11 ARG  HB3     3.67            #peak 45 #SUP 0.87 #QF 0.87
11 ARG  H      11 ARG  QD      5.39            #peak 350 #SUP 0.79 #QF 0.67
11 ARG  H      11 ARG  QG      3.90            #peak 41
11 ARG  HA     11 ARG  QD      4.36            #peak 340 #SUP 0.94 #QF 0.94
11 ARG  HB2    13 GLN  H       5.50            #peak 89 #SUP 0.95 #QF 0.89
11 ARG  HB3    12 LEU  H       4.38            #peak 54 #SUP 0.94 #QF 0.77
12 LEU  H      12 LEU  HB3     3.76            #peak 56 #SUP 0.91 #QF 0.63
12 LEU  H      12 LEU  QD1     5.50            #peak 57 #SUP 0.99 #QF 0.85
12 LEU  H      12 LEU  QD2     5.12            #peak 516 #SUP 1.00 #QF 0.97
12 LEU  H      13 GLN  H       4.01            #peak 46 #SUP 0.86 #QF 0.60
12 LEU  HA     12 LEU  HG      3.97            #peak 231 #SUP 0.97 #QF 0.75
12 LEU  HA     12 LEU  QD1     4.50            #peak 232 #SUP 1.00 #QF 0.85
12 LEU  HB2    12 LEU  QD1     3.34            #peak 507 #SUP 0.99 #QF 0.98
12 LEU  HB3    12 LEU  QD2     3.64            #peak 514 #SUP 0.93 #QF 0.76
12 LEU  HB3    13 GLN  H       3.09            #peak 91 #SUP 0.89 #QF 0.89
12 LEU  HB3    13 GLN  HA      4.25            #peak 250 #SUP 0.72 #QF 0.72
12 LEU  HG     13 GLN  HA      3.90            #peak 488 #SUP 0.72 #QF 0.72
12 LEU  QD2    13 GLN  H       4.73            #peak 94 #SUP 1.00
12 LEU  QD2    13 GLN  HA      4.48            #peak 249 #SUP 0.87 #QF 0.87
13 GLN  H      13 GLN  QB      3.64            #peak 84
13 GLN  H      13 GLN  QG      4.34            #peak 408 #SUP 0.90 #QF 0.90
13 GLN  HA     13 GLN  QB      2.59            #peak 248
13 GLN  HA     13 GLN  QG      4.16            #peak 413 #SUP 0.65 #QF 0.65
13 GLN  HA     15 NH2  HN1     5.38            #peak 114
13 GLN  HB2    14 ASP  H       5.50            #peak 78 #SUP 0.64 #QF 0.35
13 GLN  HB3    14 ASP  H       5.50            #peak 72 #SUP 0.99 #QF 0.46
13 GLN  QG     14 ASP  H       5.50            #peak 406 #SUP 0.97 #QF 0.88
14 ASP  H      15 NH2  HN1     4.12            #peak 115
14 ASP  H      15 NH2  HN2     5.41            #peak 190 #SUP 0.94 #QF 0.94
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TRP   1           H1       TRP   1   2.964   0.140  -1.673
    2    H2   TRP   1           H2       TRP   1   4.206  -0.116  -0.632
    3    H3   TRP   1           H3       TRP   1   4.038   1.353  -1.350
    4    HA   TRP   1           HA       TRP   1   2.171   0.142   0.580
    5    HB2  TRP   1           HB2      TRP   1   2.891   1.783   2.141
    6    HB3  TRP   1           HB3      TRP   1   4.328   0.960   1.537
    7    HD1  TRP   1           HD1      TRP   1   6.069   2.404   0.152
    8    HE1  TRP   1           HE1      TRP   1   6.416   4.908  -0.192
    9    HE3  TRP   1           HE3      TRP   1   1.566   4.080   1.888
   10    HZ2  TRP   1           HZ2      TRP   1   4.912   7.345   0.206
   11    HZ3  TRP   1           HZ3      TRP   1   1.039   6.505   1.872
   12    HH2  TRP   1           HH2      TRP   1   2.705   8.141   1.035
   13    H    TYR   2           H        TYR   2   2.430   2.170  -2.169
   14    HA   TYR   2           HA       TYR   2   0.969   4.380  -1.318
   15    HB2  TYR   2           HB2      TYR   2   1.574   3.303  -4.035
   16    HB3  TYR   2           HB3      TYR   2   0.517   4.696  -3.826
   17    HD1  TYR   2           HD1      TYR   2   3.912   3.655  -4.089
   18    HD2  TYR   2           HD2      TYR   2   1.364   6.664  -2.367
   19    HE1  TYR   2           HE1      TYR   2   5.856   5.183  -3.896
   20    HE2  TYR   2           HE2      TYR   2   3.301   8.203  -2.180
   21    HH   TYR   2           HH       TYR   2   6.584   7.262  -3.265
   22    H    HIS   3           H        HIS   3  -0.441   1.324  -1.634
   23    HA   HIS   3           HA       HIS   3  -3.070   2.227  -2.436
   24    HB2  HIS   3           HB2      HIS   3  -3.767   0.026  -1.508
   25    HB3  HIS   3           HB3      HIS   3  -2.454  -0.089  -2.684
   26    HD2  HIS   3           HD2      HIS   3  -3.395  -1.286   0.686
   27    HE1  HIS   3           HE1      HIS   3   0.836  -1.720   0.579
   28    HE2  HIS   3           HE2      HIS   3  -1.291  -2.334   1.844
   29    H    ARG   4           H        ARG   4  -1.193   2.465   0.479
   30    HA   ARG   4           HA       ARG   4  -3.587   2.998   2.124
   31    HB2  ARG   4           HB2      ARG   4  -0.636   2.952   2.874
   32    HB3  ARG   4           HB3      ARG   4  -2.002   3.136   3.991
   33    HG2  ARG   4           HG2      ARG   4  -2.864   0.896   3.196
   34    HG3  ARG   4           HG3      ARG   4  -1.348   0.704   2.283
   35    HD2  ARG   4           HD2      ARG   4  -1.616   1.088   5.295
   36    HD3  ARG   4           HD3      ARG   4  -1.256  -0.433   4.472
   37    HE   ARG   4           HE       ARG   4   0.896   0.445   3.792
   38   HH11  ARG   4          HH11      ARG   4  -0.822   2.427   6.181
   39   HH12  ARG   4          HH12      ARG   4   0.638   3.222   6.723
   40   HH21  ARG   4          HH21      ARG   4   2.771   1.499   4.543
   41   HH22  ARG   4          HH22      ARG   4   2.652   2.694   5.811
   42    H    LEU   5           H        LEU   5  -1.924   4.772  -0.096
   43    HA   LEU   5           HA       LEU   5  -1.111   7.117   1.264
   44    HB2  LEU   5           HB2      LEU   5  -0.573   6.562  -1.089
   45    HB3  LEU   5           HB3      LEU   5  -2.284   6.742  -1.519
   46    HG   LEU   5           HG       LEU   5  -2.147   9.150  -0.717
   47   HD11  LEU   5          HD11      LEU   5   0.828   8.464  -0.741
   48   HD12  LEU   5          HD12      LEU   5   0.171  10.111  -0.677
   49   HD13  LEU   5          HD13      LEU   5  -0.129   8.991   0.670
   50   HD21  LEU   5          HD21      LEU   5  -2.093   8.520  -3.087
   51   HD22  LEU   5          HD22      LEU   5  -1.034   9.909  -2.770
   52   HD23  LEU   5          HD23      LEU   5  -0.329   8.288  -2.998
   53    H    SER   6           H        SER   6  -4.336   6.045   0.174
   54    HA   SER   6           HA       SER   6  -5.658   8.548   0.508
   55    HB2  SER   6           HB2      SER   6  -6.596   6.669  -0.761
   56    HB3  SER   6           HB3      SER   6  -6.701   5.698   0.728
   57    HG   SER   6           HG       SER   6  -8.679   6.745   0.171
   58    H    HIS   7           H        HIS   7  -4.676   6.032   2.831
   59    HA   HIS   7           HA       HIS   7  -6.427   6.935   4.932
   60    HB2  HIS   7           HB2      HIS   7  -3.884   5.271   5.049
   61    HB3  HIS   7           HB3      HIS   7  -5.061   5.470   6.348
   62    HD2  HIS   7           HD2      HIS   7  -6.769   3.567   6.515
   63    HE1  HIS   7           HE1      HIS   7  -6.783   2.222   2.481
   64    HE2  HIS   7           HE2      HIS   7  -7.705   1.802   4.822
   65    H    LEU   8           H        LEU   8  -3.090   7.706   3.890
   66    HA   LEU   8           HA       LEU   8  -2.460   9.292   6.247
   67    HB2  LEU   8           HB2      LEU   8  -1.280   8.989   3.458
   68    HB3  LEU   8           HB3      LEU   8  -0.724  10.240   4.576
   69    HG   LEU   8           HG       LEU   8  -0.217   8.474   6.277
   70   HD11  LEU   8          HD11      LEU   8  -0.693   6.615   3.903
   71   HD12  LEU   8          HD12      LEU   8   0.101   6.154   5.422
   72   HD13  LEU   8          HD13      LEU   8  -1.609   6.619   5.435
   73   HD21  LEU   8          HD21      LEU   8   1.475   9.511   4.815
   74   HD22  LEU   8          HD22      LEU   8   1.868   7.809   5.136
   75   HD23  LEU   8          HD23      LEU   8   1.164   8.285   3.569
   76    H    HIS   9           H        HIS   9  -3.624  10.004   2.903
   77    HA   HIS   9           HA       HIS   9  -3.674  12.835   3.378
   78    HB2  HIS   9           HB2      HIS   9  -4.758  11.018   1.224
   79    HB3  HIS   9           HB3      HIS   9  -5.115  12.751   1.237
   80    HD2  HIS   9           HD2      HIS   9  -3.592  13.892  -0.486
   81    HE1  HIS   9           HE1      HIS   9   0.091  11.954   0.376
   82    HE2  HIS   9           HE2      HIS   9  -1.035  13.745  -1.033
   83    H    SER  10           H        SER  10  -5.859  10.301   4.313
   84    HA   SER  10           HA       SER  10  -8.155  12.086   4.592
   85    HB2  SER  10           HB2      SER  10  -7.549   9.309   5.691
   86    HB3  SER  10           HB3      SER  10  -9.072  10.190   5.938
   87    HG   SER  10           HG       SER  10  -7.936   9.319   3.499
   88    H    ARG  11           H        ARG  11  -5.329  11.156   6.486
   89    HA   ARG  11           HA       ARG  11  -6.398  12.357   8.949
   90    HB2  ARG  11           HB2      ARG  11  -3.759  11.028   8.229
   91    HB3  ARG  11           HB3      ARG  11  -4.122  11.706   9.834
   92    HG2  ARG  11           HG2      ARG  11  -6.036  10.201  10.083
   93    HG3  ARG  11           HG3      ARG  11  -5.769   9.536   8.464
   94    HD2  ARG  11           HD2      ARG  11  -3.525   8.751   9.158
   95    HD3  ARG  11           HD3      ARG  11  -3.782   9.412  10.778
   96    HE   ARG  11           HE       ARG  11  -5.175   7.077   9.556
   97   HH11  ARG  11          HH11      ARG  11  -4.548   9.087  12.408
   98   HH12  ARG  11          HH12      ARG  11  -5.245   7.922  13.511
   99   HH21  ARG  11          HH21      ARG  11  -6.056   5.590  11.023
  100   HH22  ARG  11          HH22      ARG  11  -6.082   5.949  12.732
  101    H    LEU  12           H        LEU  12  -4.789  13.429   6.140
  102    HA   LEU  12           HA       LEU  12  -3.218  15.561   7.315
  103    HB2  LEU  12           HB2      LEU  12  -2.710  14.591   5.112
  104    HB3  LEU  12           HB3      LEU  12  -4.329  15.016   4.538
  105    HG   LEU  12           HG       LEU  12  -3.766  17.454   4.856
  106   HD11  LEU  12          HD11      LEU  12  -0.969  16.316   5.273
  107   HD12  LEU  12          HD12      LEU  12  -1.361  18.035   5.049
  108   HD13  LEU  12          HD13      LEU  12  -1.924  17.182   6.502
  109   HD21  LEU  12          HD21      LEU  12  -1.990  15.836   3.003
  110   HD22  LEU  12          HD22      LEU  12  -3.667  16.356   2.696
  111   HD23  LEU  12          HD23      LEU  12  -2.380  17.569   2.842
  112    H    GLN  13           H        GLN  13  -6.596  15.118   6.523
  113    HA   GLN  13           HA       GLN  13  -7.227  17.824   5.933
  114    HB2  GLN  13           HB2      GLN  13  -9.037  15.646   7.049
  115    HB3  GLN  13           HB3      GLN  13  -9.551  17.104   6.183
  116    HG2  GLN  13           HG2      GLN  13  -7.905  14.792   5.067
  117    HG3  GLN  13           HG3      GLN  13  -9.580  15.163   4.669
  118   HE21  GLN  13          HE21      GLN  13  -7.179  14.969   2.910
  119   HE22  GLN  13          HE22      GLN  13  -7.099  16.501   2.069
  120    H    ASP  14           H        ASP  14  -8.657  19.243   7.250
  121    HA   ASP  14           HA       ASP  14  -7.553  19.524   9.899
  122    HB2  ASP  14           HB2      ASP  14  -9.015  21.596   9.967
  123    HB3  ASP  14           HB3      ASP  14  -7.688  21.524   8.804
  124    HN1  NH2  15           HN1      NH2  15  -9.948  17.508   8.976
  125    HN2  NH2  15           HN2      NH2  15 -10.922  17.538  10.435
  Start of MODEL    2
    1    H1   TRP   1           H1       TRP   1   4.310   0.196  -0.745
    2    H2   TRP   1           H2       TRP   1   4.102   1.631  -1.515
    3    H3   TRP   1           H3       TRP   1   3.042   0.394  -1.775
    4    HA   TRP   1           HA       TRP   1   2.300   0.460   0.496
    5    HB2  TRP   1           HB2      TRP   1   3.041   2.153   1.991
    6    HB3  TRP   1           HB3      TRP   1   4.462   1.329   1.378
    7    HD1  TRP   1           HD1      TRP   1   6.151   2.763  -0.102
    8    HE1  TRP   1           HE1      TRP   1   6.447   5.258  -0.523
    9    HE3  TRP   1           HE3      TRP   1   1.671   4.421   1.714
   10    HZ2  TRP   1           HZ2      TRP   1   4.913   7.687  -0.166
   11    HZ3  TRP   1           HZ3      TRP   1   1.112   6.833   1.655
   12    HH2  TRP   1           HH2      TRP   1   2.721   8.471   0.722
   13    H    TYR   2           H        TYR   2   2.487   2.425  -2.316
   14    HA   TYR   2           HA       TYR   2   1.003   4.628  -1.495
   15    HB2  TYR   2           HB2      TYR   2   1.564   3.488  -4.197
   16    HB3  TYR   2           HB3      TYR   2   0.481   4.863  -3.993
   17    HD1  TYR   2           HD1      TYR   2   1.309   6.906  -2.677
   18    HD2  TYR   2           HD2      TYR   2   3.906   3.864  -4.263
   19    HE1  TYR   2           HE1      TYR   2   3.219   8.487  -2.567
   20    HE2  TYR   2           HE2      TYR   2   5.823   5.444  -4.157
   21    HH   TYR   2           HH       TYR   2   5.448   8.802  -2.981
   22    H    HIS   3           H        HIS   3  -0.361   1.527  -1.794
   23    HA   HIS   3           HA       HIS   3  -3.021   2.408  -2.530
   24    HB2  HIS   3           HB2      HIS   3  -3.671   0.177  -1.650
   25    HB3  HIS   3           HB3      HIS   3  -2.371   0.106  -2.848
   26    HD2  HIS   3           HD2      HIS   3  -3.259  -1.214   0.477
   27    HE1  HIS   3           HE1      HIS   3   0.976  -1.568   0.335
   28    HE2  HIS   3           HE2      HIS   3  -1.132  -2.280   1.574
   29    H    ARG   4           H        ARG   4  -1.107   2.617   0.349
   30    HA   ARG   4           HA       ARG   4  -3.467   3.051   2.068
   31    HB2  ARG   4           HB2      ARG   4  -0.487   3.026   2.703
   32    HB3  ARG   4           HB3      ARG   4  -1.798   3.239   3.881
   33    HG2  ARG   4           HG2      ARG   4  -2.716   1.020   3.240
   34    HG3  ARG   4           HG3      ARG   4  -1.371   0.801   2.101
   35    HD2  ARG   4           HD2      ARG   4  -0.883  -0.370   4.194
   36    HD3  ARG   4           HD3      ARG   4   0.238   0.973   3.974
   37    HE   ARG   4           HE       ARG   4  -0.667   2.058   5.821
   38   HH11  ARG   4          HH11      ARG   4  -2.713  -0.695   4.955
   39   HH12  ARG   4          HH12      ARG   4  -3.647  -0.600   6.433
   40   HH21  ARG   4          HH21      ARG   4  -1.908   2.154   7.721
   41   HH22  ARG   4          HH22      ARG   4  -3.200   1.007   7.983
   42    H    LEU   5           H        LEU   5  -1.964   4.935  -0.159
   43    HA   LEU   5           HA       LEU   5  -1.167   7.261   1.245
   44    HB2  LEU   5           HB2      LEU   5  -0.695   6.792  -1.142
   45    HB3  LEU   5           HB3      LEU   5  -2.425   6.932  -1.503
   46    HG   LEU   5           HG       LEU   5  -2.322   9.327  -0.637
   47   HD11  LEU   5          HD11      LEU   5  -0.257   9.178   0.686
   48   HD12  LEU   5          HD12      LEU   5   0.669   8.721  -0.771
   49   HD13  LEU   5          HD13      LEU   5  -0.028  10.342  -0.630
   50   HD21  LEU   5          HD21      LEU   5  -2.332   8.779  -3.018
   51   HD22  LEU   5          HD22      LEU   5  -1.284  10.176  -2.693
   52   HD23  LEU   5          HD23      LEU   5  -0.560   8.579  -3.000
   53    H    SER   6           H        SER   6  -4.398   6.137   0.227
   54    HA   SER   6           HA       SER   6  -5.753   8.603   0.696
   55    HB2  SER   6           HB2      SER   6  -6.687   6.772  -0.637
   56    HB3  SER   6           HB3      SER   6  -6.721   5.716   0.789
   57    HG   SER   6           HG       SER   6  -8.183   8.109   0.393
   58    H    HIS   7           H        HIS   7  -4.675   6.008   2.875
   59    HA   HIS   7           HA       HIS   7  -6.407   6.755   5.052
   60    HB2  HIS   7           HB2      HIS   7  -3.808   5.174   5.017
   61    HB3  HIS   7           HB3      HIS   7  -4.947   5.266   6.364
   62    HD2  HIS   7           HD2      HIS   7  -6.578   3.280   6.483
   63    HE1  HIS   7           HE1      HIS   7  -6.723   2.177   2.378
   64    HE2  HIS   7           HE2      HIS   7  -7.551   1.604   4.722
   65    H    LEU   8           H        LEU   8  -3.180   7.743   3.930
   66    HA   LEU   8           HA       LEU   8  -2.544   9.236   6.348
   67    HB2  LEU   8           HB2      LEU   8  -1.355   9.018   3.557
   68    HB3  LEU   8           HB3      LEU   8  -0.849  10.281   4.677
   69    HG   LEU   8           HG       LEU   8  -0.302   8.517   6.376
   70   HD11  LEU   8          HD11      LEU   8  -0.656   6.663   3.981
   71   HD12  LEU   8          HD12      LEU   8   0.118   6.221   5.520
   72   HD13  LEU   8          HD13      LEU   8  -1.608   6.626   5.489
   73   HD21  LEU   8          HD21      LEU   8   1.826   7.932   5.229
   74   HD22  LEU   8          HD22      LEU   8   1.113   8.418   3.673
   75   HD23  LEU   8          HD23      LEU   8   1.379   9.630   4.951
   76    H    HIS   9           H        HIS   9  -3.740  10.020   3.015
   77    HA   HIS   9           HA       HIS   9  -3.837  12.824   3.559
   78    HB2  HIS   9           HB2      HIS   9  -4.954  11.025   1.408
   79    HB3  HIS   9           HB3      HIS   9  -5.364  12.748   1.468
   80    HD2  HIS   9           HD2      HIS   9  -3.937  13.942  -0.308
   81    HE1  HIS   9           HE1      HIS   9  -0.158  12.152   0.486
   82    HE2  HIS   9           HE2      HIS   9  -1.382  13.916  -0.897
   83    H    SER  10           H        SER  10  -6.066  10.204   4.310
   84    HA   SER  10           HA       SER  10  -8.342  11.940   4.771
   85    HB2  SER  10           HB2      SER  10  -7.689   9.135   5.758
   86    HB3  SER  10           HB3      SER  10  -9.243   9.967   5.999
   87    HG   SER  10           HG       SER  10  -8.033   9.182   3.567
   88    H    ARG  11           H        ARG  11  -5.387  11.510   6.392
   89    HA   ARG  11           HA       ARG  11  -6.525  12.530   8.954
   90    HB2  ARG  11           HB2      ARG  11  -4.043  10.889   8.349
   91    HB3  ARG  11           HB3      ARG  11  -4.360  11.665   9.916
   92    HG2  ARG  11           HG2      ARG  11  -6.447  10.408  10.167
   93    HG3  ARG  11           HG3      ARG  11  -6.232   9.666   8.566
   94    HD2  ARG  11           HD2      ARG  11  -4.214   8.518   9.304
   95    HD3  ARG  11           HD3      ARG  11  -4.244   9.377  10.850
   96    HE   ARG  11           HE       ARG  11  -5.824   7.908  11.657
   97   HH11  ARG  11          HH11      ARG  11  -5.665   7.540   8.136
   98   HH12  ARG  11          HH12      ARG  11  -6.733   6.152   8.138
   99   HH21  ARG  11          HH21      ARG  11  -7.172   6.089  11.606
  100   HH22  ARG  11          HH22      ARG  11  -7.567   5.336  10.076
  101    H    LEU  12           H        LEU  12  -4.634  13.331   6.198
  102    HA   LEU  12           HA       LEU  12  -3.050  15.428   7.431
  103    HB2  LEU  12           HB2      LEU  12  -2.359  14.322   5.348
  104    HB3  LEU  12           HB3      LEU  12  -3.882  14.803   4.572
  105    HG   LEU  12           HG       LEU  12  -3.214  17.220   4.881
  106   HD11  LEU  12          HD11      LEU  12  -1.586  16.915   6.726
  107   HD12  LEU  12          HD12      LEU  12  -0.547  15.949   5.658
  108   HD13  LEU  12          HD13      LEU  12  -0.820  17.682   5.328
  109   HD21  LEU  12          HD21      LEU  12  -2.914  16.040   2.764
  110   HD22  LEU  12          HD22      LEU  12  -1.591  17.192   3.046
  111   HD23  LEU  12          HD23      LEU  12  -1.326  15.445   3.294
  112    H    GLN  13           H        GLN  13  -6.278  15.102   6.014
  113    HA   GLN  13           HA       GLN  13  -6.712  17.873   5.517
  114    HB2  GLN  13           HB2      GLN  13  -9.075  17.203   5.282
  115    HB3  GLN  13           HB3      GLN  13  -7.987  16.119   4.392
  116    HG2  GLN  13           HG2      GLN  13  -8.104  14.467   6.236
  117    HG3  GLN  13           HG3      GLN  13  -9.174  15.545   7.143
  118   HE21  GLN  13          HE21      GLN  13 -10.106  13.065   6.734
  119   HE22  GLN  13          HE22      GLN  13 -11.362  13.058   5.512
  120    H    ASP  14           H        ASP  14  -8.329  19.246   6.622
  121    HA   ASP  14           HA       ASP  14  -7.803  19.315   9.446
  122    HB2  ASP  14           HB2      ASP  14  -9.448  21.077   7.629
  123    HB3  ASP  14           HB3      ASP  14  -9.344  21.324   9.372
  124    HN1  NH2  15           HN1      NH2  15 -10.004  17.388   7.900
  125    HN2  NH2  15           HN2      NH2  15 -11.179  17.261   9.191
  Start of MODEL    3
    1    H1   TRP   1           H1       TRP   1   2.949   0.602  -2.231
    2    H2   TRP   1           H2       TRP   1   4.307   0.445  -1.317
    3    H3   TRP   1           H3       TRP   1   3.973   1.882  -2.044
    4    HA   TRP   1           HA       TRP   1   2.396   0.625   0.101
    5    HB2  TRP   1           HB2      TRP   1   3.199   2.340   1.541
    6    HB3  TRP   1           HB3      TRP   1   4.600   1.586   0.788
    7    HD1  TRP   1           HD1      TRP   1   6.082   3.085  -0.806
    8    HE1  TRP   1           HE1      TRP   1   6.234   5.595  -1.246
    9    HE3  TRP   1           HE3      TRP   1   1.718   4.552   1.404
   10    HZ2  TRP   1           HZ2      TRP   1   4.659   7.966  -0.701
   11    HZ3  TRP   1           HZ3      TRP   1   1.058   6.941   1.409
   12    HH2  TRP   1           HH2      TRP   1   2.517   8.651   0.372
   13    H    TYR   2           H        TYR   2   2.255   2.579  -2.706
   14    HA   TYR   2           HA       TYR   2   0.756   4.726  -1.742
   15    HB2  TYR   2           HB2      TYR   2   1.160   3.640  -4.498
   16    HB3  TYR   2           HB3      TYR   2   0.038   4.960  -4.191
   17    HD1  TYR   2           HD1      TYR   2   0.871   7.024  -2.923
   18    HD2  TYR   2           HD2      TYR   2   3.468   4.115  -4.724
   19    HE1  TYR   2           HE1      TYR   2   2.715   8.689  -2.938
   20    HE2  TYR   2           HE2      TYR   2   5.327   5.765  -4.725
   21    HH   TYR   2           HH       TYR   2   4.895   9.095  -3.486
   22    H    HIS   3           H        HIS   3  -0.470   1.577  -1.895
   23    HA   HIS   3           HA       HIS   3  -3.209   2.315  -2.454
   24    HB2  HIS   3           HB2      HIS   3  -3.690   0.077  -1.481
   25    HB3  HIS   3           HB3      HIS   3  -2.475   0.044  -2.763
   26    HD2  HIS   3           HD2      HIS   3  -3.064  -1.254   0.637
   27    HE1  HIS   3           HE1      HIS   3   1.166  -1.379   0.203
   28    HE2  HIS   3           HE2      HIS   3  -0.816  -2.174   1.605
   29    H    ARG   4           H        ARG   4  -1.094   2.678   0.268
   30    HA   ARG   4           HA       ARG   4  -3.335   3.093   2.144
   31    HB2  ARG   4           HB2      ARG   4  -0.318   3.142   2.549
   32    HB3  ARG   4           HB3      ARG   4  -1.537   3.378   3.821
   33    HG2  ARG   4           HG2      ARG   4  -2.466   1.123   3.341
   34    HG3  ARG   4           HG3      ARG   4  -1.200   0.872   2.117
   35    HD2  ARG   4           HD2      ARG   4   0.534   1.176   3.851
   36    HD3  ARG   4           HD3      ARG   4  -0.725   1.416   5.072
   37    HE   ARG   4           HE       ARG   4  -1.508  -0.930   4.480
   38   HH11  ARG   4          HH11      ARG   4   1.878   0.044   4.099
   39   HH12  ARG   4          HH12      ARG   4   2.475  -1.591   4.269
   40   HH21  ARG   4          HH21      ARG   4  -0.690  -3.034   4.682
   41   HH22  ARG   4          HH22      ARG   4   1.031  -3.326   4.591
   42    H    LEU   5           H        LEU   5  -2.085   4.943  -0.249
   43    HA   LEU   5           HA       LEU   5  -1.222   7.313   1.031
   44    HB2  LEU   5           HB2      LEU   5  -0.972   6.807  -1.397
   45    HB3  LEU   5           HB3      LEU   5  -2.727   6.937  -1.585
   46    HG   LEU   5           HG       LEU   5  -2.560   9.337  -0.747
   47   HD11  LEU   5          HD11      LEU   5   0.410   8.742  -1.194
   48   HD12  LEU   5          HD12      LEU   5  -0.286  10.369  -0.994
   49   HD13  LEU   5          HD13      LEU   5  -0.355   9.200   0.345
   50   HD21  LEU   5          HD21      LEU   5  -1.766  10.183  -2.899
   51   HD22  LEU   5          HD22      LEU   5  -1.035   8.604  -3.274
   52   HD23  LEU   5          HD23      LEU   5  -2.802   8.757  -3.119
   53    H    SER   6           H        SER   6  -4.497   6.102   0.321
   54    HA   SER   6           HA       SER   6  -5.866   8.535   0.931
   55    HB2  SER   6           HB2      SER   6  -6.876   6.707  -0.358
   56    HB3  SER   6           HB3      SER   6  -6.772   5.631   1.050
   57    HG   SER   6           HG       SER   6  -8.294   8.010   0.817
   58    H    HIS   7           H        HIS   7  -4.574   5.904   2.958
   59    HA   HIS   7           HA       HIS   7  -6.125   6.582   5.291
   60    HB2  HIS   7           HB2      HIS   7  -3.511   5.058   5.013
   61    HB3  HIS   7           HB3      HIS   7  -4.537   5.107   6.450
   62    HD2  HIS   7           HD2      HIS   7  -6.079   3.062   6.673
   63    HE1  HIS   7           HE1      HIS   7  -6.577   2.054   2.576
   64    HE2  HIS   7           HE2      HIS   7  -7.164   1.396   4.972
   65    H    LEU   8           H        LEU   8  -3.180   7.857   3.830
   66    HA   LEU   8           HA       LEU   8  -2.412   9.302   6.284
   67    HB2  LEU   8           HB2      LEU   8  -1.312   9.091   3.461
   68    HB3  LEU   8           HB3      LEU   8  -0.803  10.380   4.562
   69    HG   LEU   8           HG       LEU   8  -0.135   8.666   6.253
   70   HD11  LEU   8          HD11      LEU   8   0.276   6.355   5.437
   71   HD12  LEU   8          HD12      LEU   8  -1.456   6.730   5.484
   72   HD13  LEU   8          HD13      LEU   8  -0.586   6.742   3.929
   73   HD21  LEU   8          HD21      LEU   8   1.161   8.489   3.503
   74   HD22  LEU   8          HD22      LEU   8   1.461   9.753   4.718
   75   HD23  LEU   8          HD23      LEU   8   1.937   8.067   5.044
   76    H    HIS   9           H        HIS   9  -3.678  10.094   2.976
   77    HA   HIS   9           HA       HIS   9  -3.746  12.901   3.547
   78    HB2  HIS   9           HB2      HIS   9  -4.865  11.147   1.364
   79    HB3  HIS   9           HB3      HIS   9  -5.253  12.873   1.453
   80    HD2  HIS   9           HD2      HIS   9  -3.775  14.217  -0.129
   81    HE1  HIS   9           HE1      HIS   9  -0.084  12.162   0.351
   82    HE2  HIS   9           HE2      HIS   9  -1.246  14.106  -0.809
   83    H    SER  10           H        SER  10  -6.146  10.330   4.094
   84    HA   SER  10           HA       SER  10  -8.312  12.218   4.513
   85    HB2  SER  10           HB2      SER  10  -9.519  10.292   5.416
   86    HB3  SER  10           HB3      SER  10  -8.744   9.887   3.872
   87    HG   SER  10           HG       SER  10  -7.251   8.717   4.911
   88    H    ARG  11           H        ARG  11  -5.519  11.512   6.295
   89    HA   ARG  11           HA       ARG  11  -6.798  12.417   8.837
   90    HB2  ARG  11           HB2      ARG  11  -4.220  10.873   8.359
   91    HB3  ARG  11           HB3      ARG  11  -4.827  11.399   9.936
   92    HG2  ARG  11           HG2      ARG  11  -6.179   9.429   8.037
   93    HG3  ARG  11           HG3      ARG  11  -5.346   9.030   9.549
   94    HD2  ARG  11           HD2      ARG  11  -7.900  10.652   9.239
   95    HD3  ARG  11           HD3      ARG  11  -7.763   9.013   9.870
   96    HE   ARG  11           HE       ARG  11  -6.321  10.044  11.717
   97   HH11  ARG  11          HH11      ARG  11  -8.906  11.852  10.096
   98   HH12  ARG  11          HH12      ARG  11  -9.164  12.911  11.462
   99   HH21  ARG  11          HH21      ARG  11  -6.677  11.456  13.454
  100   HH22  ARG  11          HH22      ARG  11  -7.921  12.684  13.348
  101    H    LEU  12           H        LEU  12  -4.706  13.301   6.253
  102    HA   LEU  12           HA       LEU  12  -3.155  15.278   7.725
  103    HB2  LEU  12           HB2      LEU  12  -2.301  14.218   5.679
  104    HB3  LEU  12           HB3      LEU  12  -3.716  14.780   4.779
  105    HG   LEU  12           HG       LEU  12  -3.015  17.160   5.227
  106   HD11  LEU  12          HD11      LEU  12  -0.662  17.533   5.921
  107   HD12  LEU  12          HD12      LEU  12  -1.585  16.739   7.221
  108   HD13  LEU  12          HD13      LEU  12  -0.474  15.790   6.217
  109   HD21  LEU  12          HD21      LEU  12  -2.544  16.035   3.117
  110   HD22  LEU  12          HD22      LEU  12  -1.212  17.130   3.559
  111   HD23  LEU  12          HD23      LEU  12  -1.031  15.370   3.782
  112    H    GLN  13           H        GLN  13  -6.231  15.139   5.978
  113    HA   GLN  13           HA       GLN  13  -6.529  17.931   5.526
  114    HB2  GLN  13           HB2      GLN  13  -8.879  17.366   5.081
  115    HB3  GLN  13           HB3      GLN  13  -7.783  16.219   4.294
  116    HG2  GLN  13           HG2      GLN  13  -8.136  14.597   6.117
  117    HG3  GLN  13           HG3      GLN  13  -9.213  15.733   6.942
  118   HE21  GLN  13          HE21      GLN  13 -10.227  13.276   6.418
  119   HE22  GLN  13          HE22      GLN  13 -11.387  13.357   5.106
  120    H    ASP  14           H        ASP  14  -8.121  19.360   6.532
  121    HA   ASP  14           HA       ASP  14  -8.789  20.556   8.269
  122    HB2  ASP  14           HB2      ASP  14  -9.816  17.870   9.129
  123    HB3  ASP  14           HB3      ASP  14 -10.149  19.353  10.034
  124    HN1  NH2  15           HN1      NH2  15  -5.986  19.343   8.536
  125    HN2  NH2  15           HN2      NH2  15  -5.577  19.754  10.189
  Start of MODEL    4
    1    H1   TRP   1           H1       TRP   1   3.044   0.534  -1.995
    2    H2   TRP   1           H2       TRP   1   4.336   0.320  -1.005
    3    H3   TRP   1           H3       TRP   1   4.082   1.783  -1.712
    4    HA   TRP   1           HA       TRP   1   2.354   0.507   0.303
    5    HB2  TRP   1           HB2      TRP   1   3.087   2.169   1.827
    6    HB3  TRP   1           HB3      TRP   1   4.519   1.398   1.151
    7    HD1  TRP   1           HD1      TRP   1   6.135   2.906  -0.315
    8    HE1  TRP   1           HE1      TRP   1   6.377   5.416  -0.675
    9    HE3  TRP   1           HE3      TRP   1   1.668   4.417   1.648
   10    HZ2  TRP   1           HZ2      TRP   1   4.798   7.803  -0.212
   11    HZ3  TRP   1           HZ3      TRP   1   1.056   6.812   1.664
   12    HH2  TRP   1           HH2      TRP   1   2.609   8.514   0.739
   13    H    TYR   2           H        TYR   2   2.398   2.532  -2.463
   14    HA   TYR   2           HA       TYR   2   0.901   4.690  -1.528
   15    HB2  TYR   2           HB2      TYR   2   1.406   3.644  -4.279
   16    HB3  TYR   2           HB3      TYR   2   0.308   4.992  -4.007
   17    HD1  TYR   2           HD1      TYR   2   3.754   4.086  -4.399
   18    HD2  TYR   2           HD2      TYR   2   1.123   7.000  -2.636
   19    HE1  TYR   2           HE1      TYR   2   5.634   5.703  -4.274
   20    HE2  TYR   2           HE2      TYR   2   2.995   8.622  -2.512
   21    HH   TYR   2           HH       TYR   2   5.212   9.001  -2.941
   22    H    HIS   3           H        HIS   3  -0.401   1.576  -1.850
   23    HA   HIS   3           HA       HIS   3  -3.091   2.396  -2.501
   24    HB2  HIS   3           HB2      HIS   3  -3.668   0.150  -1.597
   25    HB3  HIS   3           HB3      HIS   3  -2.403   0.111  -2.831
   26    HD2  HIS   3           HD2      HIS   3  -3.166  -1.211   0.543
   27    HE1  HIS   3           HE1      HIS   3   1.072  -1.472   0.242
   28    HE2  HIS   3           HE2      HIS   3  -0.975  -2.211   1.578
   29    H    ARG   4           H        ARG   4  -1.105   2.658   0.319
   30    HA   ARG   4           HA       ARG   4  -3.410   3.046   2.113
   31    HB2  ARG   4           HB2      ARG   4  -0.413   3.107   2.627
   32    HB3  ARG   4           HB3      ARG   4  -1.674   3.291   3.864
   33    HG2  ARG   4           HG2      ARG   4  -2.553   1.035   3.286
   34    HG3  ARG   4           HG3      ARG   4  -1.259   0.853   2.080
   35    HD2  ARG   4           HD2      ARG   4  -0.620  -0.287   4.139
   36    HD3  ARG   4           HD3      ARG   4   0.441   1.101   3.867
   37    HE   ARG   4           HE       ARG   4  -1.863   1.070   5.791
   38   HH11  ARG   4          HH11      ARG   4   1.423   2.119   4.940
   39   HH12  ARG   4          HH12      ARG   4   1.642   2.974   6.449
   40   HH21  ARG   4          HH21      ARG   4  -1.526   2.207   7.720
   41   HH22  ARG   4          HH22      ARG   4  -0.011   3.031   8.004
   42    H    LEU   5           H        LEU   5  -2.013   4.948  -0.178
   43    HA   LEU   5           HA       LEU   5  -1.207   7.289   1.186
   44    HB2  LEU   5           HB2      LEU   5  -0.807   6.792  -1.217
   45    HB3  LEU   5           HB3      LEU   5  -2.544   6.944  -1.522
   46    HG   LEU   5           HG       LEU   5  -2.397   9.336  -0.661
   47   HD11  LEU   5          HD11      LEU   5  -0.288   9.192   0.580
   48   HD12  LEU   5          HD12      LEU   5   0.582   8.709  -0.901
   49   HD13  LEU   5          HD13      LEU   5  -0.114  10.340  -0.764
   50   HD21  LEU   5          HD21      LEU   5  -2.505   8.758  -3.036
   51   HD22  LEU   5          HD22      LEU   5  -1.451  10.164  -2.764
   52   HD23  LEU   5          HD23      LEU   5  -0.732   8.565  -3.082
   53    H    SER   6           H        SER   6  -4.449   6.111   0.259
   54    HA   SER   6           HA       SER   6  -5.821   8.569   0.760
   55    HB2  SER   6           HB2      SER   6  -6.747   6.727  -0.597
   56    HB3  SER   6           HB3      SER   6  -6.811   5.692   0.845
   57    HG   SER   6           HG       SER   6  -8.273   7.163   1.756
   58    H    HIS   7           H        HIS   7  -4.562   6.067   2.905
   59    HA   HIS   7           HA       HIS   7  -6.320   6.730   5.117
   60    HB2  HIS   7           HB2      HIS   7  -3.711   5.172   5.024
   61    HB3  HIS   7           HB3      HIS   7  -4.823   5.246   6.390
   62    HD2  HIS   7           HD2      HIS   7  -6.437   3.264   6.546
   63    HE1  HIS   7           HE1      HIS   7  -6.635   2.140   2.446
   64    HE2  HIS   7           HE2      HIS   7  -7.416   1.564   4.810
   65    H    LEU   8           H        LEU   8  -3.146   7.775   3.911
   66    HA   LEU   8           HA       LEU   8  -2.490   9.264   6.341
   67    HB2  LEU   8           HB2      LEU   8  -1.316   9.065   3.543
   68    HB3  LEU   8           HB3      LEU   8  -0.807  10.313   4.684
   69    HG   LEU   8           HG       LEU   8  -0.244   8.524   6.354
   70   HD11  LEU   8          HD11      LEU   8  -0.643   6.707   3.939
   71   HD12  LEU   8          HD12      LEU   8   0.153   6.234   5.464
   72   HD13  LEU   8          HD13      LEU   8  -1.568   6.638   5.459
   73   HD21  LEU   8          HD21      LEU   8   1.425   9.640   4.941
   74   HD22  LEU   8          HD22      LEU   8   1.861   7.937   5.207
   75   HD23  LEU   8          HD23      LEU   8   1.158   8.442   3.653
   76    H    HIS   9           H        HIS   9  -3.686  10.071   3.017
   77    HA   HIS   9           HA       HIS   9  -3.759  12.878   3.566
   78    HB2  HIS   9           HB2      HIS   9  -4.906  11.107   1.408
   79    HB3  HIS   9           HB3      HIS   9  -5.286  12.832   1.480
   80    HD2  HIS   9           HD2      HIS   9  -3.834  14.092  -0.214
   81    HE1  HIS   9           HE1      HIS   9  -0.104  12.142   0.405
   82    HE2  HIS   9           HE2      HIS   9  -1.293  14.013  -0.854
   83    H    SER  10           H        SER  10  -6.025  10.267   4.277
   84    HA   SER  10           HA       SER  10  -8.310  12.004   4.675
   85    HB2  SER  10           HB2      SER  10  -8.575   9.629   4.205
   86    HB3  SER  10           HB3      SER  10  -7.655   9.212   5.676
   87    HG   SER  10           HG       SER  10  -9.950   9.149   5.958
   88    H    ARG  11           H        ARG  11  -5.426  11.322   6.471
   89    HA   ARG  11           HA       ARG  11  -6.597  12.436   8.968
   90    HB2  ARG  11           HB2      ARG  11  -4.043  10.909   8.351
   91    HB3  ARG  11           HB3      ARG  11  -4.363  11.675   9.919
   92    HG2  ARG  11           HG2      ARG  11  -6.392  10.348  10.210
   93    HG3  ARG  11           HG3      ARG  11  -6.174   9.598   8.613
   94    HD2  ARG  11           HD2      ARG  11  -4.085   8.562   9.333
   95    HD3  ARG  11           HD3      ARG  11  -4.143   9.430  10.875
   96    HE   ARG  11           HE       ARG  11  -5.633   7.882  11.705
   97   HH11  ARG  11          HH11      ARG  11  -5.498   7.492   8.181
   98   HH12  ARG  11          HH12      ARG  11  -6.485   6.046   8.213
   99   HH21  ARG  11          HH21      ARG  11  -6.891   6.007  11.685
  100   HH22  ARG  11          HH22      ARG  11  -7.250   5.205  10.174
  101    H    LEU  12           H        LEU  12  -4.564  13.225   6.262
  102    HA   LEU  12           HA       LEU  12  -3.086  15.372   7.517
  103    HB2  LEU  12           HB2      LEU  12  -2.336  14.240   5.456
  104    HB3  LEU  12           HB3      LEU  12  -3.827  14.736   4.636
  105    HG   LEU  12           HG       LEU  12  -3.149  17.149   4.945
  106   HD11  LEU  12          HD11      LEU  12  -0.771  17.598   5.456
  107   HD12  LEU  12          HD12      LEU  12  -1.580  16.839   6.842
  108   HD13  LEU  12          HD13      LEU  12  -0.511  15.871   5.801
  109   HD21  LEU  12          HD21      LEU  12  -2.803  15.954   2.853
  110   HD22  LEU  12          HD22      LEU  12  -1.472  17.094   3.169
  111   HD23  LEU  12          HD23      LEU  12  -1.228  15.349   3.432
  112    H    GLN  13           H        GLN  13  -6.272  15.067   5.984
  113    HA   GLN  13           HA       GLN  13  -6.629  17.860   5.498
  114    HB2  GLN  13           HB2      GLN  13  -8.983  17.224   5.097
  115    HB3  GLN  13           HB3      GLN  13  -7.841  16.155   4.255
  116    HG2  GLN  13           HG2      GLN  13  -8.097  14.459   6.023
  117    HG3  GLN  13           HG3      GLN  13  -9.187  15.529   6.919
  118   HE21  GLN  13          HE21      GLN  13 -10.110  13.045   6.347
  119   HE22  GLN  13          HE22      GLN  13 -11.312  13.112   5.072
  120    H    ASP  14           H        ASP  14  -6.483  16.225   8.455
  121    HA   ASP  14           HA       ASP  14  -8.565  17.703   9.802
  122    HB2  ASP  14           HB2      ASP  14  -6.372  15.887  10.794
  123    HB3  ASP  14           HB3      ASP  14  -7.474  16.743  11.875
  124    HN1  NH2  15           HN1      NH2  15  -5.738  18.871   8.595
  125    HN2  NH2  15           HN2      NH2  15  -5.447  20.144   9.761
  Start of MODEL    5
    1    H1   TRP   1           H1       TRP   1   3.371   0.774  -1.369
    2    H2   TRP   1           H2       TRP   1   4.702   0.825  -0.409
    3    H3   TRP   1           H3       TRP   1   4.300   2.138  -1.310
    4    HA   TRP   1           HA       TRP   1   2.748   1.037   0.927
    5    HB2  TRP   1           HB2      TRP   1   3.392   2.959   2.172
    6    HB3  TRP   1           HB3      TRP   1   4.863   2.221   1.555
    7    HD1  TRP   1           HD1      TRP   1   6.279   3.629  -0.210
    8    HE1  TRP   1           HE1      TRP   1   6.269   6.077  -0.923
    9    HE3  TRP   1           HE3      TRP   1   1.774   5.032   1.762
   10    HZ2  TRP   1           HZ2      TRP   1   4.519   8.374  -0.686
   11    HZ3  TRP   1           HZ3      TRP   1   0.961   7.355   1.491
   12    HH2  TRP   1           HH2      TRP   1   2.318   9.027   0.277
   13    H    TYR   2           H        TYR   2   2.559   2.621  -2.098
   14    HA   TYR   2           HA       TYR   2   0.907   4.773  -1.442
   15    HB2  TYR   2           HB2      TYR   2   1.455   3.374  -4.028
   16    HB3  TYR   2           HB3      TYR   2   0.258   4.663  -3.920
   17    HD1  TYR   2           HD1      TYR   2   0.943   6.907  -2.907
   18    HD2  TYR   2           HD2      TYR   2   3.751   3.941  -4.245
   19    HE1  TYR   2           HE1      TYR   2   2.701   8.656  -3.074
   20    HE2  TYR   2           HE2      TYR   2   5.521   5.677  -4.402
   21    HH   TYR   2           HH       TYR   2   4.879   9.118  -3.617
   22    H    HIS   3           H        HIS   3  -0.119   1.553  -1.242
   23    HA   HIS   3           HA       HIS   3  -2.894   2.041  -1.926
   24    HB2  HIS   3           HB2      HIS   3  -3.249  -0.096  -0.732
   25    HB3  HIS   3           HB3      HIS   3  -1.996  -0.198  -1.977
   26    HD2  HIS   3           HD2      HIS   3  -2.609  -1.126   1.537
   27    HE1  HIS   3           HE1      HIS   3   1.636  -1.047   1.219
   28    HE2  HIS   3           HE2      HIS   3  -0.325  -1.795   2.659
   29    H    ARG   4           H        ARG   4  -0.861   2.838   0.757
   30    HA   ARG   4           HA       ARG   4  -3.137   3.293   2.577
   31    HB2  ARG   4           HB2      ARG   4  -0.149   3.761   2.948
   32    HB3  ARG   4           HB3      ARG   4  -1.401   3.918   4.198
   33    HG2  ARG   4           HG2      ARG   4  -1.960   1.500   3.896
   34    HG3  ARG   4           HG3      ARG   4  -0.623   1.361   2.731
   35    HD2  ARG   4           HD2      ARG   4   0.971   2.121   4.467
   36    HD3  ARG   4           HD3      ARG   4  -0.353   2.284   5.628
   37    HE   ARG   4           HE       ARG   4   0.920  -0.201   4.696
   38   HH11  ARG   4          HH11      ARG   4  -1.842   1.226   6.392
   39   HH12  ARG   4          HH12      ARG   4  -2.236  -0.260   7.225
   40   HH21  ARG   4          HH21      ARG   4   0.373  -2.112   5.797
   41   HH22  ARG   4          HH22      ARG   4  -0.992  -2.133   6.888
   42    H    LEU   5           H        LEU   5  -2.011   4.931  -0.046
   43    HA   LEU   5           HA       LEU   5  -1.357   7.498   0.972
   44    HB2  LEU   5           HB2      LEU   5  -0.897   6.764  -1.339
   45    HB3  LEU   5           HB3      LEU   5  -2.640   6.680  -1.662
   46    HG   LEU   5           HG       LEU   5  -2.767   9.158  -1.059
   47   HD11  LEU   5          HD11      LEU   5   0.265   8.862  -1.292
   48   HD12  LEU   5          HD12      LEU   5  -0.612  10.404  -1.277
   49   HD13  LEU   5          HD13      LEU   5  -0.640   9.356   0.161
   50   HD21  LEU   5          HD21      LEU   5  -1.929   9.894  -3.239
   51   HD22  LEU   5          HD22      LEU   5  -1.023   8.367  -3.414
   52   HD23  LEU   5          HD23      LEU   5  -2.807   8.355  -3.372
   53    H    SER   6           H        SER   6  -4.538   6.077   0.045
   54    HA   SER   6           HA       SER   6  -5.991   8.529   0.398
   55    HB2  SER   6           HB2      SER   6  -6.848   5.613   0.485
   56    HB3  SER   6           HB3      SER   6  -7.960   7.004   0.441
   57    HG   SER   6           HG       SER   6  -7.548   6.170  -1.638
   58    H    HIS   7           H        HIS   7  -4.892   5.993   2.616
   59    HA   HIS   7           HA       HIS   7  -6.598   6.770   4.814
   60    HB2  HIS   7           HB2      HIS   7  -3.934   5.305   4.794
   61    HB3  HIS   7           HB3      HIS   7  -5.077   5.371   6.139
   62    HD2  HIS   7           HD2      HIS   7  -6.628   3.326   6.312
   63    HE1  HIS   7           HE1      HIS   7  -6.655   2.062   2.255
   64    HE2  HIS   7           HE2      HIS   7  -7.483   1.538   4.608
   65    H    LEU   8           H        LEU   8  -3.416   7.692   3.557
   66    HA   LEU   8           HA       LEU   8  -2.557   9.112   5.905
   67    HB2  LEU   8           HB2      LEU   8  -1.066   8.060   4.188
   68    HB3  LEU   8           HB3      LEU   8  -1.627   9.249   3.008
   69    HG   LEU   8           HG       LEU   8  -0.679  11.080   4.394
   70   HD11  LEU   8          HD11      LEU   8   0.306   8.775   6.143
   71   HD12  LEU   8          HD12      LEU   8   0.855  10.460   6.269
   72   HD13  LEU   8          HD13      LEU   8  -0.833  10.061   6.627
   73   HD21  LEU   8          HD21      LEU   8   0.634   9.966   2.620
   74   HD22  LEU   8          HD22      LEU   8   1.687  10.480   3.964
   75   HD23  LEU   8          HD23      LEU   8   1.212   8.770   3.802
   76    H    HIS   9           H        HIS   9  -3.913  10.136   2.707
   77    HA   HIS   9           HA       HIS   9  -3.909  12.912   3.472
   78    HB2  HIS   9           HB2      HIS   9  -5.111  11.339   1.187
   79    HB3  HIS   9           HB3      HIS   9  -5.385  13.079   1.393
   80    HD2  HIS   9           HD2      HIS   9  -3.771  14.423  -0.104
   81    HE1  HIS   9           HE1      HIS   9  -0.259  12.048   0.285
   82    HE2  HIS   9           HE2      HIS   9  -1.244  14.163  -0.750
   83    H    SER  10           H        SER  10  -6.113  10.279   4.141
   84    HA   SER  10           HA       SER  10  -8.366  12.026   4.729
   85    HB2  SER  10           HB2      SER  10  -7.753   9.151   5.510
   86    HB3  SER  10           HB3      SER  10  -9.262  10.009   5.881
   87    HG   SER  10           HG       SER  10  -8.213   9.327   3.354
   88    H    ARG  11           H        ARG  11  -5.380  11.416   6.247
   89    HA   ARG  11           HA       ARG  11  -6.423  12.344   8.883
   90    HB2  ARG  11           HB2      ARG  11  -3.975  10.686   8.174
   91    HB3  ARG  11           HB3      ARG  11  -4.320  11.314   9.791
   92    HG2  ARG  11           HG2      ARG  11  -6.071   9.373   8.218
   93    HG3  ARG  11           HG3      ARG  11  -5.016   8.970   9.583
   94    HD2  ARG  11           HD2      ARG  11  -7.455  10.787   9.665
   95    HD3  ARG  11           HD3      ARG  11  -7.358   9.146  10.302
   96    HE   ARG  11           HE       ARG  11  -6.205  11.592  11.485
   97   HH11  ARG  11          HH11      ARG  11  -6.357   8.060  11.545
   98   HH12  ARG  11          HH12      ARG  11  -5.771   7.948  13.191
   99   HH21  ARG  11          HH21      ARG  11  -5.444  11.417  13.610
  100   HH22  ARG  11          HH22      ARG  11  -5.264   9.844  14.357
  101    H    LEU  12           H        LEU  12  -4.670  13.290   6.127
  102    HA   LEU  12           HA       LEU  12  -2.893  15.184   7.418
  103    HB2  LEU  12           HB2      LEU  12  -2.428  14.266   5.190
  104    HB3  LEU  12           HB3      LEU  12  -3.984  14.871   4.597
  105    HG   LEU  12           HG       LEU  12  -3.186  17.226   5.050
  106   HD11  LEU  12          HD11      LEU  12  -0.746  17.554   5.308
  107   HD12  LEU  12          HD12      LEU  12  -1.416  16.689   6.701
  108   HD13  LEU  12          HD13      LEU  12  -0.520  15.794   5.451
  109   HD21  LEU  12          HD21      LEU  12  -3.141  16.223   2.819
  110   HD22  LEU  12          HD22      LEU  12  -1.750  17.294   3.063
  111   HD23  LEU  12          HD23      LEU  12  -1.534  15.528   3.151
  112    H    GLN  13           H        GLN  13  -6.248  15.128   6.358
  113    HA   GLN  13           HA       GLN  13  -6.557  17.961   6.077
  114    HB2  GLN  13           HB2      GLN  13  -8.965  17.405   5.915
  115    HB3  GLN  13           HB3      GLN  13  -7.964  16.366   4.883
  116    HG2  GLN  13           HG2      GLN  13  -8.075  14.567   6.563
  117    HG3  GLN  13           HG3      GLN  13  -9.016  15.602   7.648
  118   HE21  GLN  13          HE21      GLN  13 -10.017  13.146   6.945
  119   HE22  GLN  13          HE22      GLN  13 -11.385  13.346   5.873
  120    H    ASP  14           H        ASP  14  -6.166  16.090   8.886
  121    HA   ASP  14           HA       ASP  14  -7.148  18.313  10.489
  122    HB2  ASP  14           HB2      ASP  14  -8.351  16.756  12.071
  123    HB3  ASP  14           HB3      ASP  14  -9.127  17.105  10.525
  124    HN1  NH2  15           HN1      NH2  15  -4.558  16.651   9.812
  125    HN2  NH2  15           HN2      NH2  15  -3.816  16.535  11.390
  Start of MODEL    6
    1    H1   TRP   1           H1       TRP   1   3.885   1.228  -1.435
    2    H2   TRP   1           H2       TRP   1   2.784   0.010  -1.637
    3    H3   TRP   1           H3       TRP   1   4.066  -0.193  -0.633
    4    HA   TRP   1           HA       TRP   1   2.089   0.172   0.641
    5    HB2  TRP   1           HB2      TRP   1   2.910   1.875   2.078
    6    HB3  TRP   1           HB3      TRP   1   4.300   0.991   1.455
    7    HD1  TRP   1           HD1      TRP   1   6.004   2.329  -0.077
    8    HE1  TRP   1           HE1      TRP   1   6.381   4.801  -0.555
    9    HE3  TRP   1           HE3      TRP   1   1.611   4.178   1.767
   10    HZ2  TRP   1           HZ2      TRP   1   4.935   7.296  -0.211
   11    HZ3  TRP   1           HZ3      TRP   1   1.132   6.601   1.655
   12    HH2  TRP   1           HH2      TRP   1   2.774   8.169   0.665
   13    H    TYR   2           H        TYR   2   2.268   2.044  -2.227
   14    HA   TYR   2           HA       TYR   2   0.857   4.319  -1.437
   15    HB2  TYR   2           HB2      TYR   2   1.352   3.106  -4.116
   16    HB3  TYR   2           HB3      TYR   2   0.308   4.513  -3.933
   17    HD1  TYR   2           HD1      TYR   2   1.224   6.542  -2.626
   18    HD2  TYR   2           HD2      TYR   2   3.681   3.428  -4.284
   19    HE1  TYR   2           HE1      TYR   2   3.183   8.074  -2.590
   20    HE2  TYR   2           HE2      TYR   2   5.641   4.948  -4.255
   21    HH   TYR   2           HH       TYR   2   6.410   7.040  -3.748
   22    H    HIS   3           H        HIS   3  -0.567   1.246  -1.575
   23    HA   HIS   3           HA       HIS   3  -3.223   2.148  -2.288
   24    HB2  HIS   3           HB2      HIS   3  -3.906  -0.016  -1.292
   25    HB3  HIS   3           HB3      HIS   3  -2.637  -0.184  -2.505
   26    HD2  HIS   3           HD2      HIS   3  -3.490  -1.330   0.888
   27    HE1  HIS   3           HE1      HIS   3   0.739  -1.737   0.715
   28    HE2  HIS   3           HE2      HIS   3  -1.362  -2.366   2.013
   29    H    ARG   4           H        ARG   4  -1.219   2.449   0.518
   30    HA   ARG   4           HA       ARG   4  -3.497   3.019   2.296
   31    HB2  ARG   4           HB2      ARG   4  -0.495   3.010   2.796
   32    HB3  ARG   4           HB3      ARG   4  -1.746   3.272   4.026
   33    HG2  ARG   4           HG2      ARG   4  -2.681   1.021   3.546
   34    HG3  ARG   4           HG3      ARG   4  -1.415   0.753   2.330
   35    HD2  ARG   4           HD2      ARG   4  -0.773  -0.325   4.423
   36    HD3  ARG   4           HD3      ARG   4   0.315   1.026   4.084
   37    HE   ARG   4           HE       ARG   4  -0.512   2.178   5.941
   38   HH11  ARG   4          HH11      ARG   4  -2.506  -0.693   5.334
   39   HH12  ARG   4          HH12      ARG   4  -3.338  -0.564   6.863
   40   HH21  ARG   4          HH21      ARG   4  -1.629   2.312   7.906
   41   HH22  ARG   4          HH22      ARG   4  -2.834   1.114   8.322
   42    H    LEU   5           H        LEU   5  -1.953   4.744  -0.070
   43    HA   LEU   5           HA       LEU   5  -1.141   7.140   1.210
   44    HB2  LEU   5           HB2      LEU   5  -0.643   6.512  -1.141
   45    HB3  LEU   5           HB3      LEU   5  -2.357   6.691  -1.537
   46    HG   LEU   5           HG       LEU   5  -2.190   9.124  -0.789
   47   HD11  LEU   5          HD11      LEU   5  -0.120   8.974   0.534
   48   HD12  LEU   5          HD12      LEU   5   0.775   8.429  -0.907
   49   HD13  LEU   5          HD13      LEU   5   0.112  10.078  -0.843
   50   HD21  LEU   5          HD21      LEU   5  -2.202   8.411  -3.145
   51   HD22  LEU   5          HD22      LEU   5  -1.152   9.824  -2.894
   52   HD23  LEU   5          HD23      LEU   5  -0.435   8.203  -3.095
   53    H    SER   6           H        SER   6  -4.356   5.978   0.222
   54    HA   SER   6           HA       SER   6  -5.733   8.462   0.482
   55    HB2  SER   6           HB2      SER   6  -6.649   6.509  -0.704
   56    HB3  SER   6           HB3      SER   6  -6.691   5.590   0.812
   57    HG   SER   6           HG       SER   6  -8.707   6.527   0.314
   58    H    HIS   7           H        HIS   7  -4.589   6.113   2.876
   59    HA   HIS   7           HA       HIS   7  -6.339   7.062   4.983
   60    HB2  HIS   7           HB2      HIS   7  -3.783   5.422   5.099
   61    HB3  HIS   7           HB3      HIS   7  -4.915   5.673   6.430
   62    HD2  HIS   7           HD2      HIS   7  -6.602   3.759   6.737
   63    HE1  HIS   7           HE1      HIS   7  -6.757   2.248   2.763
   64    HE2  HIS   7           HE2      HIS   7  -7.609   1.938   5.145
   65    H    LEU   8           H        LEU   8  -3.036   7.797   3.828
   66    HA   LEU   8           HA       LEU   8  -2.337   9.431   6.120
   67    HB2  LEU   8           HB2      LEU   8  -1.232   9.055   3.313
   68    HB3  LEU   8           HB3      LEU   8  -0.654  10.352   4.358
   69    HG   LEU   8           HG       LEU   8  -0.100   8.652   6.122
   70   HD11  LEU   8          HD11      LEU   8  -0.617   6.707   3.828
   71   HD12  LEU   8          HD12      LEU   8   0.195   6.297   5.352
   72   HD13  LEU   8          HD13      LEU   8  -1.517   6.767   5.364
   73   HD21  LEU   8          HD21      LEU   8   1.562   9.620   4.580
   74   HD22  LEU   8          HD22      LEU   8   1.950   7.918   4.943
   75   HD23  LEU   8          HD23      LEU   8   1.202   8.357   3.385
   76    H    HIS   9           H        HIS   9  -3.555  10.110   2.783
   77    HA   HIS   9           HA       HIS   9  -3.606  12.947   3.255
   78    HB2  HIS   9           HB2      HIS   9  -4.678  11.137   1.082
   79    HB3  HIS   9           HB3      HIS   9  -4.999  12.874   1.091
   80    HD2  HIS   9           HD2      HIS   9  -3.406  14.044  -0.536
   81    HE1  HIS   9           HE1      HIS   9   0.188  11.913   0.271
   82    HE2  HIS   9           HE2      HIS   9  -0.851  13.818  -1.070
   83    H    SER  10           H        SER  10  -5.757  10.425   4.228
   84    HA   SER  10           HA       SER  10  -8.082  12.201   4.435
   85    HB2  SER  10           HB2      SER  10  -8.425   9.815   4.057
   86    HB3  SER  10           HB3      SER  10  -7.490   9.416   5.515
   87    HG   SER  10           HG       SER  10  -9.780   9.429   5.836
   88    H    ARG  11           H        ARG  11  -5.467  10.949   6.529
   89    HA   ARG  11           HA       ARG  11  -6.529  12.242   8.921
   90    HB2  ARG  11           HB2      ARG  11  -3.901  10.860   8.277
   91    HB3  ARG  11           HB3      ARG  11  -4.303  11.526   9.870
   92    HG2  ARG  11           HG2      ARG  11  -6.275  10.070  10.023
   93    HG3  ARG  11           HG3      ARG  11  -5.940   9.413   8.406
   94    HD2  ARG  11           HD2      ARG  11  -3.762   8.561   9.190
   95    HD3  ARG  11           HD3      ARG  11  -4.060   9.237  10.797
   96    HE   ARG  11           HE       ARG  11  -5.436   6.912   9.548
   97   HH11  ARG  11          HH11      ARG  11  -4.973   8.993  12.382
   98   HH12  ARG  11          HH12      ARG  11  -5.786   7.883  13.460
   99   HH21  ARG  11          HH21      ARG  11  -6.467   5.491  11.000
  100   HH22  ARG  11          HH22      ARG  11  -6.619   5.926  12.691
  101    H    LEU  12           H        LEU  12  -4.808  13.324   6.184
  102    HA   LEU  12           HA       LEU  12  -3.231  15.397   7.432
  103    HB2  LEU  12           HB2      LEU  12  -2.725  14.488   5.208
  104    HB3  LEU  12           HB3      LEU  12  -4.338  14.945   4.634
  105    HG   LEU  12           HG       LEU  12  -3.752  17.365   5.017
  106   HD11  LEU  12          HD11      LEU  12  -1.354  17.927   5.236
  107   HD12  LEU  12          HD12      LEU  12  -1.909  17.020   6.658
  108   HD13  LEU  12          HD13      LEU  12  -0.964  16.196   5.400
  109   HD21  LEU  12          HD21      LEU  12  -3.644  16.315   2.817
  110   HD22  LEU  12          HD22      LEU  12  -2.344  17.510   3.015
  111   HD23  LEU  12          HD23      LEU  12  -1.974  15.772   3.137
  112    H    GLN  13           H        GLN  13  -6.613  15.033   6.598
  113    HA   GLN  13           HA       GLN  13  -7.147  17.806   6.101
  114    HB2  GLN  13           HB2      GLN  13  -9.062  15.570   6.886
  115    HB3  GLN  13           HB3      GLN  13  -9.490  17.096   6.096
  116    HG2  GLN  13           HG2      GLN  13  -7.767  14.866   4.940
  117    HG3  GLN  13           HG3      GLN  13  -9.413  15.279   4.452
  118   HE21  GLN  13          HE21      GLN  13  -6.928  15.169   2.842
  119   HE22  GLN  13          HE22      GLN  13  -6.756  16.756   2.129
  120    H    ASP  14           H        ASP  14  -6.510  16.153   9.015
  121    HA   ASP  14           HA       ASP  14  -7.461  18.456  10.531
  122    HB2  ASP  14           HB2      ASP  14  -8.539  16.971  12.269
  123    HB3  ASP  14           HB3      ASP  14  -9.405  17.232  10.761
  124    HN1  NH2  15           HN1      NH2  15  -4.882  16.732   9.836
  125    HN2  NH2  15           HN2      NH2  15  -4.059  16.766  11.382
  Start of MODEL    7
    1    H1   TRP   1           H1       TRP   1   3.010   0.377  -1.993
    2    H2   TRP   1           H2       TRP   1   4.339   0.240  -1.038
    3    H3   TRP   1           H3       TRP   1   4.042   1.654  -1.827
    4    HA   TRP   1           HA       TRP   1   2.406   0.475   0.314
    5    HB2  TRP   1           HB2      TRP   1   3.194   2.221   1.733
    6    HB3  TRP   1           HB3      TRP   1   4.608   1.431   1.037
    7    HD1  TRP   1           HD1      TRP   1   6.136   2.888  -0.590
    8    HE1  TRP   1           HE1      TRP   1   6.324   5.372  -1.067
    9    HE3  TRP   1           HE3      TRP   1   1.753   4.441   1.533
   10    HZ2  TRP   1           HZ2      TRP   1   4.749   7.774  -0.619
   11    HZ3  TRP   1           HZ3      TRP   1   1.116   6.833   1.472
   12    HH2  TRP   1           HH2      TRP   1   2.609   8.504   0.406
   13    H    TYR   2           H        TYR   2   2.341   2.357  -2.545
   14    HA   TYR   2           HA       TYR   2   0.854   4.555  -1.659
   15    HB2  TYR   2           HB2      TYR   2   1.300   3.396  -4.372
   16    HB3  TYR   2           HB3      TYR   2   0.184   4.735  -4.125
   17    HD1  TYR   2           HD1      TYR   2   3.630   3.849  -4.578
   18    HD2  TYR   2           HD2      TYR   2   1.021   6.828  -2.890
   19    HE1  TYR   2           HE1      TYR   2   5.490   5.481  -4.601
   20    HE2  TYR   2           HE2      TYR   2   2.886   8.470  -2.916
   21    HH   TYR   2           HH       TYR   2   6.151   7.619  -4.107
   22    H    HIS   3           H        HIS   3  -0.403   1.424  -1.771
   23    HA   HIS   3           HA       HIS   3  -3.126   2.161  -2.405
   24    HB2  HIS   3           HB2      HIS   3  -3.640  -0.049  -1.372
   25    HB3  HIS   3           HB3      HIS   3  -2.401  -0.132  -2.632
   26    HD2  HIS   3           HD2      HIS   3  -3.082  -1.312   0.789
   27    HE1  HIS   3           HE1      HIS   3   1.160  -1.470   0.473
   28    HE2  HIS   3           HE2      HIS   3  -0.858  -2.220   1.843
   29    H    ARG   4           H        ARG   4  -1.073   2.589   0.353
   30    HA   ARG   4           HA       ARG   4  -3.352   3.022   2.185
   31    HB2  ARG   4           HB2      ARG   4  -0.344   3.139   2.639
   32    HB3  ARG   4           HB3      ARG   4  -1.588   3.351   3.885
   33    HG2  ARG   4           HG2      ARG   4  -2.440   1.050   3.387
   34    HG3  ARG   4           HG3      ARG   4  -1.145   0.860   2.187
   35    HD2  ARG   4           HD2      ARG   4  -0.468  -0.196   4.275
   36    HD3  ARG   4           HD3      ARG   4   0.553   1.215   3.958
   37    HE   ARG   4           HE       ARG   4  -1.739   1.138   5.900
   38   HH11  ARG   4          HH11      ARG   4   1.451   2.390   4.965
   39   HH12  ARG   4          HH12      ARG   4   1.610   3.341   6.422
   40   HH21  ARG   4          HH21      ARG   4  -1.468   2.370   7.778
   41   HH22  ARG   4          HH22      ARG   4  -0.020   3.321   8.005
   42    H    LEU   5           H        LEU   5  -2.065   4.841  -0.222
   43    HA   LEU   5           HA       LEU   5  -1.207   7.224   1.032
   44    HB2  LEU   5           HB2      LEU   5  -0.917   6.654  -1.371
   45    HB3  LEU   5           HB3      LEU   5  -2.670   6.811  -1.599
   46    HG   LEU   5           HG       LEU   5  -2.455   9.220  -0.806
   47   HD11  LEU   5          HD11      LEU   5   0.505   8.574  -1.198
   48   HD12  LEU   5          HD12      LEU   5  -0.169  10.205  -1.010
   49   HD13  LEU   5          HD13      LEU   5  -0.269   9.050   0.335
   50   HD21  LEU   5          HD21      LEU   5  -2.663   8.597  -3.172
   51   HD22  LEU   5          HD22      LEU   5  -1.594  10.004  -2.962
   52   HD23  LEU   5          HD23      LEU   5  -0.895   8.396  -3.282
   53    H    SER   6           H        SER   6  -4.482   6.026   0.302
   54    HA   SER   6           HA       SER   6  -5.832   8.498   0.835
   55    HB2  SER   6           HB2      SER   6  -6.817   6.661  -0.468
   56    HB3  SER   6           HB3      SER   6  -6.821   5.620   0.973
   57    HG   SER   6           HG       SER   6  -8.251   7.044   1.948
   58    H    HIS   7           H        HIS   7  -4.520   5.959   2.935
   59    HA   HIS   7           HA       HIS   7  -6.164   6.635   5.214
   60    HB2  HIS   7           HB2      HIS   7  -3.546   5.108   5.010
   61    HB3  HIS   7           HB3      HIS   7  -4.587   5.185   6.433
   62    HD2  HIS   7           HD2      HIS   7  -6.091   3.137   6.685
   63    HE1  HIS   7           HE1      HIS   7  -6.601   2.066   2.592
   64    HE2  HIS   7           HE2      HIS   7  -7.170   1.430   5.000
   65    H    LEU   8           H        LEU   8  -3.173   7.847   3.818
   66    HA   LEU   8           HA       LEU   8  -2.453   9.355   6.249
   67    HB2  LEU   8           HB2      LEU   8  -1.276   9.033   3.470
   68    HB3  LEU   8           HB3      LEU   8  -0.785  10.356   4.529
   69    HG   LEU   8           HG       LEU   8  -0.154   8.719   6.295
   70   HD11  LEU   8          HD11      LEU   8  -0.666   6.680   4.087
   71   HD12  LEU   8          HD12      LEU   8   0.202   6.351   5.606
   72   HD13  LEU   8          HD13      LEU   8  -1.515   6.778   5.658
   73   HD21  LEU   8          HD21      LEU   8   1.156   8.361   3.568
   74   HD22  LEU   8          HD22      LEU   8   1.475   9.678   4.723
   75   HD23  LEU   8          HD23      LEU   8   1.906   8.004   5.141
   76    H    HIS   9           H        HIS   9  -3.632  10.050   2.887
   77    HA   HIS   9           HA       HIS   9  -3.679  12.874   3.372
   78    HB2  HIS   9           HB2      HIS   9  -4.730  11.072   1.198
   79    HB3  HIS   9           HB3      HIS   9  -5.112  12.805   1.229
   80    HD2  HIS   9           HD2      HIS   9  -3.549  14.145  -0.279
   81    HE1  HIS   9           HE1      HIS   9   0.085  12.019   0.307
   82    HE2  HIS   9           HE2      HIS   9  -0.997  13.993  -0.869
   83    H    SER  10           H        SER  10  -6.040  10.367   4.104
   84    HA   SER  10           HA       SER  10  -8.221  12.303   4.365
   85    HB2  SER  10           HB2      SER  10  -9.459  10.425   5.316
   86    HB3  SER  10           HB3      SER  10  -8.695   9.965   3.785
   87    HG   SER  10           HG       SER  10  -7.250   8.773   4.836
   88    H    ARG  11           H        ARG  11  -5.504  11.356   6.277
   89    HA   ARG  11           HA       ARG  11  -6.773  12.417   8.752
   90    HB2  ARG  11           HB2      ARG  11  -4.191  10.868   8.280
   91    HB3  ARG  11           HB3      ARG  11  -4.752  11.458   9.858
   92    HG2  ARG  11           HG2      ARG  11  -6.198   9.455   8.073
   93    HG3  ARG  11           HG3      ARG  11  -5.285   9.069   9.538
   94    HD2  ARG  11           HD2      ARG  11  -7.814  10.756   9.384
   95    HD3  ARG  11           HD3      ARG  11  -7.685   9.101  10.002
   96    HE   ARG  11           HE       ARG  11  -6.071  10.107  11.726
   97   HH11  ARG  11          HH11      ARG  11  -8.810  11.899  10.357
   98   HH12  ARG  11          HH12      ARG  11  -8.941  12.955  11.744
   99   HH21  ARG  11          HH21      ARG  11  -6.293  11.500  13.512
  100   HH22  ARG  11          HH22      ARG  11  -7.544  12.721  13.517
  101    H    LEU  12           H        LEU  12  -4.854  13.393   6.140
  102    HA   LEU  12           HA       LEU  12  -3.162  15.292   7.515
  103    HB2  LEU  12           HB2      LEU  12  -2.584  14.370   5.306
  104    HB3  LEU  12           HB3      LEU  12  -4.114  14.970   4.643
  105    HG   LEU  12           HG       LEU  12  -3.344  17.324   5.106
  106   HD11  LEU  12          HD11      LEU  12  -1.651  16.818   6.838
  107   HD12  LEU  12          HD12      LEU  12  -0.705  15.892   5.651
  108   HD13  LEU  12          HD13      LEU  12  -0.903  17.649   5.459
  109   HD21  LEU  12          HD21      LEU  12  -1.616  15.604   3.299
  110   HD22  LEU  12          HD22      LEU  12  -3.198  16.317   2.892
  111   HD23  LEU  12          HD23      LEU  12  -1.800  17.369   3.198
  112    H    GLN  13           H        GLN  13  -6.499  15.211   6.473
  113    HA   GLN  13           HA       GLN  13  -6.839  17.984   5.933
  114    HB2  GLN  13           HB2      GLN  13  -8.919  15.960   6.857
  115    HB3  GLN  13           HB3      GLN  13  -9.233  17.479   6.004
  116    HG2  GLN  13           HG2      GLN  13  -7.756  15.044   4.926
  117    HG3  GLN  13           HG3      GLN  13  -9.357  15.596   4.444
  118   HE21  GLN  13          HE21      GLN  13  -6.888  15.190   2.830
  119   HE22  GLN  13          HE22      GLN  13  -6.577  16.727   2.049
  120    H    ASP  14           H        ASP  14  -8.016  19.567   7.185
  121    HA   ASP  14           HA       ASP  14  -8.197  20.860   8.963
  122    HB2  ASP  14           HB2      ASP  14  -9.276  18.308  10.123
  123    HB3  ASP  14           HB3      ASP  14  -9.275  19.830  11.024
  124    HN1  NH2  15           HN1      NH2  15  -5.508  19.357   8.737
  125    HN2  NH2  15           HN2      NH2  15  -4.751  19.779  10.254
  Start of MODEL    8
    1    H1   TRP   1           H1       TRP   1   4.092  -0.280  -0.481
    2    H2   TRP   1           H2       TRP   1   3.927   1.147  -1.278
    3    H3   TRP   1           H3       TRP   1   2.846  -0.072  -1.530
    4    HA   TRP   1           HA       TRP   1   2.058   0.070   0.719
    5    HB2  TRP   1           HB2      TRP   1   2.830   1.768   2.200
    6    HB3  TRP   1           HB3      TRP   1   4.242   0.890   1.622
    7    HD1  TRP   1           HD1      TRP   1   5.994   2.249   0.153
    8    HE1  TRP   1           HE1      TRP   1   6.376   4.726  -0.309
    9    HE3  TRP   1           HE3      TRP   1   1.535   4.079   1.854
   10    HZ2  TRP   1           HZ2      TRP   1   4.929   7.208   0.002
   11    HZ3  TRP   1           HZ3      TRP   1   1.060   6.505   1.738
   12    HH2  TRP   1           HH2      TRP   1   2.741   8.072   0.822
   13    H    TYR   2           H        TYR   2   2.335   1.950  -2.134
   14    HA   TYR   2           HA       TYR   2   0.938   4.243  -1.385
   15    HB2  TYR   2           HB2      TYR   2   1.483   3.010  -4.045
   16    HB3  TYR   2           HB3      TYR   2   0.455   4.437  -3.889
   17    HD1  TYR   2           HD1      TYR   2   1.363   6.457  -2.561
   18    HD2  TYR   2           HD2      TYR   2   3.837   3.306  -4.131
   19    HE1  TYR   2           HE1      TYR   2   3.333   7.961  -2.455
   20    HE2  TYR   2           HE2      TYR   2   5.813   4.807  -4.033
   21    HH   TYR   2           HH       TYR   2   6.589   6.889  -3.503
   22    H    HIS   3           H        HIS   3  -0.533   1.199  -1.577
   23    HA   HIS   3           HA       HIS   3  -3.153   2.149  -2.379
   24    HB2  HIS   3           HB2      HIS   3  -3.905  -0.020  -1.433
   25    HB3  HIS   3           HB3      HIS   3  -2.596  -0.182  -2.609
   26    HD2  HIS   3           HD2      HIS   3  -3.580  -1.353   0.749
   27    HE1  HIS   3           HE1      HIS   3   0.637  -1.884   0.666
   28    HE2  HIS   3           HE2      HIS   3  -1.506  -2.463   1.909
   29    H    ARG   4           H        ARG   4  -1.250   2.405   0.500
   30    HA   ARG   4           HA       ARG   4  -3.597   3.002   2.193
   31    HB2  ARG   4           HB2      ARG   4  -0.631   2.874   2.845
   32    HB3  ARG   4           HB3      ARG   4  -1.944   3.149   4.008
   33    HG2  ARG   4           HG2      ARG   4  -2.924   0.938   3.422
   34    HG3  ARG   4           HG3      ARG   4  -1.600   0.658   2.278
   35    HD2  ARG   4           HD2      ARG   4  -1.120  -0.494   4.377
   36    HD3  ARG   4           HD3      ARG   4   0.038   0.814   4.125
   37    HE   ARG   4           HE       ARG   4  -0.847   1.971   5.951
   38   HH11  ARG   4          HH11      ARG   4  -2.879  -0.826   5.193
   39   HH12  ARG   4          HH12      ARG   4  -3.790  -0.704   6.681
   40   HH21  ARG   4          HH21      ARG   4  -2.046   2.092   7.878
   41   HH22  ARG   4          HH22      ARG   4  -3.320   0.933   8.189
   42    H    LEU   5           H        LEU   5  -1.937   4.699  -0.084
   43    HA   LEU   5           HA       LEU   5  -1.053   7.048   1.229
   44    HB2  LEU   5           HB2      LEU   5  -0.536   6.483  -1.113
   45    HB3  LEU   5           HB3      LEU   5  -2.253   6.596  -1.531
   46    HG   LEU   5           HG       LEU   5  -2.204   9.022  -0.798
   47   HD11  LEU   5          HD11      LEU   5   0.797   8.455  -0.804
   48   HD12  LEU   5          HD12      LEU   5   0.070  10.077  -0.786
   49   HD13  LEU   5          HD13      LEU   5  -0.185   8.982   0.591
   50   HD21  LEU   5          HD21      LEU   5  -1.131   9.780  -2.874
   51   HD22  LEU   5          HD22      LEU   5  -0.333   8.197  -3.052
   52   HD23  LEU   5          HD23      LEU   5  -2.106   8.324  -3.161
   53    H    SER   6           H        SER   6  -4.321   6.074   0.136
   54    HA   SER   6           HA       SER   6  -5.514   8.647   0.495
   55    HB2  SER   6           HB2      SER   6  -6.660   5.832   0.532
   56    HB3  SER   6           HB3      SER   6  -7.642   7.313   0.481
   57    HG   SER   6           HG       SER   6  -6.722   7.825  -1.484
   58    H    HIS   7           H        HIS   7  -4.595   6.125   2.788
   59    HA   HIS   7           HA       HIS   7  -6.414   7.003   4.872
   60    HB2  HIS   7           HB2      HIS   7  -3.882   5.326   5.004
   61    HB3  HIS   7           HB3      HIS   7  -5.047   5.549   6.312
   62    HD2  HIS   7           HD2      HIS   7  -6.740   3.634   6.519
   63    HE1  HIS   7           HE1      HIS   7  -6.862   2.289   2.484
   64    HE2  HIS   7           HE2      HIS   7  -7.753   1.895   4.846
   65    H    LEU   8           H        LEU   8  -3.046   7.717   3.884
   66    HA   LEU   8           HA       LEU   8  -2.441   9.325   6.219
   67    HB2  LEU   8           HB2      LEU   8  -1.229   9.016   3.445
   68    HB3  LEU   8           HB3      LEU   8  -0.689  10.263   4.569
   69    HG   LEU   8           HG       LEU   8  -0.207   8.486   6.275
   70   HD11  LEU   8          HD11      LEU   8   0.129   6.175   5.438
   71   HD12  LEU   8          HD12      LEU   8  -1.582   6.630   5.416
   72   HD13  LEU   8          HD13      LEU   8  -0.643   6.623   3.902
   73   HD21  LEU   8          HD21      LEU   8   1.497   9.533   4.833
   74   HD22  LEU   8          HD22      LEU   8   1.894   7.829   5.152
   75   HD23  LEU   8          HD23      LEU   8   1.201   8.301   3.581
   76    H    HIS   9           H        HIS   9  -3.563  10.028   2.854
   77    HA   HIS   9           HA       HIS   9  -3.651  12.853   3.313
   78    HB2  HIS   9           HB2      HIS   9  -4.756  10.996   1.196
   79    HB3  HIS   9           HB3      HIS   9  -5.124  12.726   1.190
   80    HD2  HIS   9           HD2      HIS   9  -3.631  13.872  -0.553
   81    HE1  HIS   9           HE1      HIS   9   0.063  11.933   0.269
   82    HE2  HIS   9           HE2      HIS   9  -1.086  13.727  -1.142
   83    H    SER  10           H        SER  10  -5.828  10.311   4.291
   84    HA   SER  10           HA       SER  10  -8.127  12.093   4.571
   85    HB2  SER  10           HB2      SER  10  -7.503   9.336   5.697
   86    HB3  SER  10           HB3      SER  10  -9.025  10.211   5.952
   87    HG   SER  10           HG       SER  10  -7.933   9.338   3.500
   88    H    ARG  11           H        ARG  11  -5.332  11.108   6.511
   89    HA   ARG  11           HA       ARG  11  -6.367  12.329   8.958
   90    HB2  ARG  11           HB2      ARG  11  -3.695  11.120   8.152
   91    HB3  ARG  11           HB3      ARG  11  -4.020  11.801   9.761
   92    HG2  ARG  11           HG2      ARG  11  -5.854  10.202  10.101
   93    HG3  ARG  11           HG3      ARG  11  -5.611   9.544   8.470
   94    HD2  ARG  11           HD2      ARG  11  -3.309   8.881   9.080
   95    HD3  ARG  11           HD3      ARG  11  -3.544   9.544  10.708
   96    HE   ARG  11           HE       ARG  11  -4.782   7.090   9.577
   97   HH11  ARG  11          HH11      ARG  11  -4.407   9.288  12.328
   98   HH12  ARG  11          HH12      ARG  11  -5.050   8.141  13.477
   99   HH21  ARG  11          HH21      ARG  11  -5.609   5.626  11.093
  100   HH22  ARG  11          HH22      ARG  11  -5.721   6.073  12.784
  101    H    LEU  12           H        LEU  12  -4.731  13.427   6.126
  102    HA   LEU  12           HA       LEU  12  -3.235  15.594   7.260
  103    HB2  LEU  12           HB2      LEU  12  -2.827  14.685   5.002
  104    HB3  LEU  12           HB3      LEU  12  -4.470  15.112   4.518
  105    HG   LEU  12           HG       LEU  12  -3.906  17.549   4.907
  106   HD11  LEU  12          HD11      LEU  12  -1.993  17.228   6.436
  107   HD12  LEU  12          HD12      LEU  12  -1.087  16.404   5.138
  108   HD13  LEU  12          HD13      LEU  12  -1.505  18.128   4.984
  109   HD21  LEU  12          HD21      LEU  12  -3.902  16.532   2.679
  110   HD22  LEU  12          HD22      LEU  12  -2.617  17.747   2.832
  111   HD23  LEU  12          HD23      LEU  12  -2.214  16.009   2.904
  112    H    GLN  13           H        GLN  13  -6.638  15.125   6.521
  113    HA   GLN  13           HA       GLN  13  -7.305  17.881   6.170
  114    HB2  GLN  13           HB2      GLN  13  -9.024  15.492   6.935
  115    HB3  GLN  13           HB3      GLN  13  -9.631  17.066   6.383
  116    HG2  GLN  13           HG2      GLN  13  -8.446  16.769   4.226
  117    HG3  GLN  13           HG3      GLN  13  -7.836  15.199   4.770
  118   HE21  GLN  13          HE21      GLN  13  -9.070  14.874   2.537
  119   HE22  GLN  13          HE22      GLN  13 -10.723  14.313   2.717
  120    H    ASP  14           H        ASP  14  -6.355  16.224   8.985
  121    HA   ASP  14           HA       ASP  14  -8.123  17.524  10.885
  122    HB2  ASP  14           HB2      ASP  14  -6.851  15.326  11.164
  123    HB3  ASP  14           HB3      ASP  14  -5.365  16.272  11.283
  124    HN1  NH2  15           HN1      NH2  15  -5.506  18.595   8.923
  125    HN2  NH2  15           HN2      NH2  15  -5.053  20.003   9.859
  Start of MODEL    9
    1    H1   TRP   1           H1       TRP   1   2.720  -0.072  -1.678
    2    H2   TRP   1           H2       TRP   1   3.992  -0.311  -0.674
    3    H3   TRP   1           H3       TRP   1   3.839   1.126  -1.463
    4    HA   TRP   1           HA       TRP   1   2.024   0.072   0.603
    5    HB2  TRP   1           HB2      TRP   1   2.850   1.775   2.038
    6    HB3  TRP   1           HB3      TRP   1   4.233   0.869   1.439
    7    HD1  TRP   1           HD1      TRP   1   5.979   2.178  -0.084
    8    HE1  TRP   1           HE1      TRP   1   6.390   4.634  -0.579
    9    HE3  TRP   1           HE3      TRP   1   1.591   4.093   1.705
   10    HZ2  TRP   1           HZ2      TRP   1   4.963   7.146  -0.291
   11    HZ3  TRP   1           HZ3      TRP   1   1.135   6.519   1.559
   12    HH2  TRP   1           HH2      TRP   1   2.813   8.056   0.569
   13    H    TYR   2           H        TYR   2   2.213   1.940  -2.261
   14    HA   TYR   2           HA       TYR   2   0.864   4.240  -1.460
   15    HB2  TYR   2           HB2      TYR   2   1.294   3.004  -4.148
   16    HB3  TYR   2           HB3      TYR   2   0.290   4.432  -3.955
   17    HD1  TYR   2           HD1      TYR   2   3.648   3.275  -4.334
   18    HD2  TYR   2           HD2      TYR   2   1.270   6.450  -2.657
   19    HE1  TYR   2           HE1      TYR   2   5.640   4.752  -4.307
   20    HE2  TYR   2           HE2      TYR   2   3.263   7.932  -2.642
   21    HH   TYR   2           HH       TYR   2   6.466   6.819  -3.792
   22    H    HIS   3           H        HIS   3  -0.644   1.218  -1.593
   23    HA   HIS   3           HA       HIS   3  -3.285   2.178  -2.281
   24    HB2  HIS   3           HB2      HIS   3  -4.002   0.015  -1.279
   25    HB3  HIS   3           HB3      HIS   3  -2.741  -0.161  -2.504
   26    HD2  HIS   3           HD2      HIS   3  -3.588  -1.300   0.897
   27    HE1  HIS   3           HE1      HIS   3   0.626  -1.812   0.672
   28    HE2  HIS   3           HE2      HIS   3  -1.468  -2.385   1.995
   29    H    ARG   4           H        ARG   4  -1.274   2.389   0.538
   30    HA   ARG   4           HA       ARG   4  -3.548   3.009   2.305
   31    HB2  ARG   4           HB2      ARG   4  -0.547   2.923   2.816
   32    HB3  ARG   4           HB3      ARG   4  -1.787   3.238   4.040
   33    HG2  ARG   4           HG2      ARG   4  -2.807   1.016   3.556
   34    HG3  ARG   4           HG3      ARG   4  -1.497   0.700   2.384
   35    HD2  ARG   4           HD2      ARG   4   0.174   0.952   4.179
   36    HD3  ARG   4           HD3      ARG   4  -1.115   1.293   5.343
   37    HE   ARG   4           HE       ARG   4  -1.987  -1.022   4.824
   38   HH11  ARG   4          HH11      ARG   4   1.452  -0.256   4.447
   39   HH12  ARG   4          HH12      ARG   4   1.954  -1.919   4.651
   40   HH21  ARG   4          HH21      ARG   4  -1.291  -3.166   5.082
   41   HH22  ARG   4          HH22      ARG   4   0.413  -3.552   5.007
   42    H    LEU   5           H        LEU   5  -1.939   4.715  -0.046
   43    HA   LEU   5           HA       LEU   5  -1.123   7.108   1.226
   44    HB2  LEU   5           HB2      LEU   5  -0.590   6.466  -1.105
   45    HB3  LEU   5           HB3      LEU   5  -2.298   6.616  -1.531
   46    HG   LEU   5           HG       LEU   5  -2.166   9.068  -0.820
   47   HD11  LEU   5          HD11      LEU   5   0.814   8.401  -0.861
   48   HD12  LEU   5          HD12      LEU   5   0.138  10.039  -0.838
   49   HD13  LEU   5          HD13      LEU   5  -0.132   8.955   0.546
   50   HD21  LEU   5          HD21      LEU   5  -2.150   8.340  -3.160
   51   HD22  LEU   5          HD22      LEU   5  -1.096   9.752  -2.920
   52   HD23  LEU   5          HD23      LEU   5  -0.378   8.131  -3.094
   53    H    SER   6           H        SER   6  -4.337   5.957   0.228
   54    HA   SER   6           HA       SER   6  -5.701   8.446   0.450
   55    HB2  SER   6           HB2      SER   6  -6.629   6.498  -0.713
   56    HB3  SER   6           HB3      SER   6  -6.654   5.577   0.801
   57    HG   SER   6           HG       SER   6  -8.130   7.927   0.207
   58    H    HIS   7           H        HIS   7  -4.588   6.122   2.892
   59    HA   HIS   7           HA       HIS   7  -6.341   7.139   4.978
   60    HB2  HIS   7           HB2      HIS   7  -3.832   5.438   5.128
   61    HB3  HIS   7           HB3      HIS   7  -4.975   5.736   6.446
   62    HD2  HIS   7           HD2      HIS   7  -6.729   3.891   6.763
   63    HE1  HIS   7           HE1      HIS   7  -6.851   2.293   2.823
   64    HE2  HIS   7           HE2      HIS   7  -7.760   2.061   5.200
   65    H    LEU   8           H        LEU   8  -3.010   7.764   3.829
   66    HA   LEU   8           HA       LEU   8  -2.255   9.395   6.095
   67    HB2  LEU   8           HB2      LEU   8  -1.208   9.022   3.263
   68    HB3  LEU   8           HB3      LEU   8  -0.591  10.300   4.322
   69    HG   LEU   8           HG       LEU   8  -0.034   8.572   6.048
   70   HD11  LEU   8          HD11      LEU   8   0.234   6.235   5.268
   71   HD12  LEU   8          HD12      LEU   8  -1.477   6.713   5.284
   72   HD13  LEU   8          HD13      LEU   8  -0.575   6.648   3.745
   73   HD21  LEU   8          HD21      LEU   8   1.238   8.312   3.293
   74   HD22  LEU   8          HD22      LEU   8   1.621   9.553   4.506
   75   HD23  LEU   8          HD23      LEU   8   1.997   7.845   4.834
   76    H    HIS   9           H        HIS   9  -3.508  10.117   2.780
   77    HA   HIS   9           HA       HIS   9  -3.538  12.959   3.284
   78    HB2  HIS   9           HB2      HIS   9  -4.647  11.180   1.105
   79    HB3  HIS   9           HB3      HIS   9  -4.919  12.932   1.140
   80    HD2  HIS   9           HD2      HIS   9  -3.308  14.062  -0.507
   81    HE1  HIS   9           HE1      HIS   9   0.245  11.871   0.306
   82    HE2  HIS   9           HE2      HIS   9  -0.760  13.791  -1.044
   83    H    SER  10           H        SER  10  -5.719  10.402   4.158
   84    HA   SER  10           HA       SER  10  -8.039  12.168   4.400
   85    HB2  SER  10           HB2      SER  10  -8.397   9.788   4.025
   86    HB3  SER  10           HB3      SER  10  -7.420   9.380   5.450
   87    HG   SER  10           HG       SER  10  -9.886  10.787   5.413
   88    H    ARG  11           H        ARG  11  -5.404  10.969   6.490
   89    HA   ARG  11           HA       ARG  11  -6.507  12.195   8.888
   90    HB2  ARG  11           HB2      ARG  11  -3.834  10.918   8.215
   91    HB3  ARG  11           HB3      ARG  11  -4.246  11.549   9.822
   92    HG2  ARG  11           HG2      ARG  11  -6.146  10.018   9.994
   93    HG3  ARG  11           HG3      ARG  11  -5.844   9.410   8.351
   94    HD2  ARG  11           HD2      ARG  11  -3.612   8.621   9.056
   95    HD3  ARG  11           HD3      ARG  11  -3.923   9.209  10.704
   96    HE   ARG  11           HE       ARG  11  -5.943   7.593  10.606
   97   HH11  ARG  11          HH11      ARG  11  -2.844   6.980   9.006
   98   HH12  ARG  11          HH12      ARG  11  -3.047   5.242   9.044
   99   HH21  ARG  11          HH21      ARG  11  -6.163   5.341  10.645
  100   HH22  ARG  11          HH22      ARG  11  -4.905   4.324   9.977
  101    H    LEU  12           H        LEU  12  -4.799  13.378   6.178
  102    HA   LEU  12           HA       LEU  12  -3.297  15.472   7.476
  103    HB2  LEU  12           HB2      LEU  12  -2.738  14.641   5.240
  104    HB3  LEU  12           HB3      LEU  12  -4.355  15.074   4.654
  105    HG   LEU  12           HG       LEU  12  -3.839  17.487   5.121
  106   HD11  LEU  12          HD11      LEU  12  -1.463  18.110   5.395
  107   HD12  LEU  12          HD12      LEU  12  -2.036  17.177   6.791
  108   HD13  LEU  12          HD13      LEU  12  -1.021  16.394   5.555
  109   HD21  LEU  12          HD21      LEU  12  -3.651  16.518   2.896
  110   HD22  LEU  12          HD22      LEU  12  -2.385  17.736   3.148
  111   HD23  LEU  12          HD23      LEU  12  -1.974  16.003   3.236
  112    H    GLN  13           H        GLN  13  -6.661  15.061   6.504
  113    HA   GLN  13           HA       GLN  13  -7.290  17.812   6.144
  114    HB2  GLN  13           HB2      GLN  13  -9.086  15.462   6.879
  115    HB3  GLN  13           HB3      GLN  13  -9.633  17.046   6.287
  116    HG2  GLN  13           HG2      GLN  13  -8.351  16.695   4.184
  117    HG3  GLN  13           HG3      GLN  13  -7.840  15.107   4.764
  118   HE21  GLN  13          HE21      GLN  13  -9.010  14.912   2.438
  119   HE22  GLN  13          HE22      GLN  13 -10.680  14.402   2.550
  120    H    ASP  14           H        ASP  14  -8.647  19.161   7.503
  121    HA   ASP  14           HA       ASP  14  -8.962  20.309   9.357
  122    HB2  ASP  14           HB2      ASP  14  -9.656  17.584  10.413
  123    HB3  ASP  14           HB3      ASP  14  -9.850  19.059  11.361
  124    HN1  NH2  15           HN1      NH2  15  -6.107  19.224   8.985
  125    HN2  NH2  15           HN2      NH2  15  -5.372  19.638  10.519
  Start of MODEL   10
    1    H1   TRP   1           H1       TRP   1   3.038   0.422  -1.945
    2    H2   TRP   1           H2       TRP   1   4.355   0.287  -0.968
    3    H3   TRP   1           H3       TRP   1   4.057   1.706  -1.735
    4    HA   TRP   1           HA       TRP   1   2.399   0.481   0.363
    5    HB2  TRP   1           HB2      TRP   1   3.127   2.213   1.803
    6    HB3  TRP   1           HB3      TRP   1   4.569   1.479   1.112
    7    HD1  TRP   1           HD1      TRP   1   6.062   3.007  -0.491
    8    HE1  TRP   1           HE1      TRP   1   6.176   5.510  -0.934
    9    HE3  TRP   1           HE3      TRP   1   1.631   4.394   1.639
   10    HZ2  TRP   1           HZ2      TRP   1   4.531   7.846  -0.449
   11    HZ3  TRP   1           HZ3      TRP   1   0.930   6.766   1.632
   12    HH2  TRP   1           HH2      TRP   1   2.363   8.500   0.587
   13    H    TYR   2           H        TYR   2   2.336   2.379  -2.498
   14    HA   TYR   2           HA       TYR   2   0.801   4.536  -1.625
   15    HB2  TYR   2           HB2      TYR   2   1.327   3.413  -4.340
   16    HB3  TYR   2           HB3      TYR   2   0.184   4.737  -4.108
   17    HD1  TYR   2           HD1      TYR   2   3.660   3.898  -4.439
   18    HD2  TYR   2           HD2      TYR   2   0.935   6.830  -2.870
   19    HE1  TYR   2           HE1      TYR   2   5.498   5.563  -4.372
   20    HE2  TYR   2           HE2      TYR   2   2.760   8.508  -2.815
   21    HH   TYR   2           HH       TYR   2   4.966   8.917  -3.227
   22    H    HIS   3           H        HIS   3  -0.429   1.398  -1.756
   23    HA   HIS   3           HA       HIS   3  -3.147   2.125  -2.425
   24    HB2  HIS   3           HB2      HIS   3  -3.653  -0.089  -1.410
   25    HB3  HIS   3           HB3      HIS   3  -2.401  -0.155  -2.649
   26    HD2  HIS   3           HD2      HIS   3  -3.094  -1.322   0.781
   27    HE1  HIS   3           HE1      HIS   3   1.143  -1.513   0.463
   28    HE2  HIS   3           HE2      HIS   3  -0.875  -2.234   1.844
   29    H    ARG   4           H        ARG   4  -1.119   2.571   0.348
   30    HA   ARG   4           HA       ARG   4  -3.423   3.035   2.135
   31    HB2  ARG   4           HB2      ARG   4  -0.428   3.056   2.665
   32    HB3  ARG   4           HB3      ARG   4  -1.696   3.313   3.876
   33    HG2  ARG   4           HG2      ARG   4  -2.608   1.043   3.397
   34    HG3  ARG   4           HG3      ARG   4  -1.317   0.788   2.204
   35    HD2  ARG   4           HD2      ARG   4  -0.709  -0.274   4.303
   36    HD3  ARG   4           HD3      ARG   4   0.382   1.079   3.987
   37    HE   ARG   4           HE       ARG   4  -1.905   1.125   5.923
   38   HH11  ARG   4          HH11      ARG   4   1.319   2.250   4.956
   39   HH12  ARG   4          HH12      ARG   4   1.528   3.208   6.404
   40   HH21  ARG   4          HH21      ARG   4  -1.587   2.386   7.774
   41   HH22  ARG   4          HH22      ARG   4  -0.103   3.283   7.990
   42    H    LEU   5           H        LEU   5  -2.111   4.815  -0.248
   43    HA   LEU   5           HA       LEU   5  -1.170   7.187   0.961
   44    HB2  LEU   5           HB2      LEU   5  -0.948   6.667  -1.435
   45    HB3  LEU   5           HB3      LEU   5  -2.709   6.733  -1.622
   46    HG   LEU   5           HG       LEU   5  -2.646   9.149  -0.875
   47   HD11  LEU   5          HD11      LEU   5   0.356   8.677  -1.212
   48   HD12  LEU   5          HD12      LEU   5  -0.413  10.273  -1.066
   49   HD13  LEU   5          HD13      LEU   5  -0.470   9.134   0.297
   50   HD21  LEU   5          HD21      LEU   5  -1.808   9.988  -3.012
   51   HD22  LEU   5          HD22      LEU   5  -0.998   8.432  -3.326
   52   HD23  LEU   5          HD23      LEU   5  -2.783   8.524  -3.239
   53    H    SER   6           H        SER   6  -4.517   6.119   0.242
   54    HA   SER   6           HA       SER   6  -5.678   8.672   0.870
   55    HB2  SER   6           HB2      SER   6  -7.795   7.465   0.748
   56    HB3  SER   6           HB3      SER   6  -6.737   6.973  -0.593
   57    HG   SER   6           HG       SER   6  -7.734   5.196   0.473
   58    H    HIS   7           H        HIS   7  -4.571   5.970   2.835
   59    HA   HIS   7           HA       HIS   7  -6.229   6.590   5.122
   60    HB2  HIS   7           HB2      HIS   7  -3.661   4.984   4.913
   61    HB3  HIS   7           HB3      HIS   7  -4.759   5.017   6.296
   62    HD2  HIS   7           HD2      HIS   7  -6.434   3.045   6.345
   63    HE1  HIS   7           HE1      HIS   7  -6.677   2.199   2.184
   64    HE2  HIS   7           HE2      HIS   7  -7.465   1.493   4.505
   65    H    LEU   8           H        LEU   8  -3.204   7.815   3.793
   66    HA   LEU   8           HA       LEU   8  -2.500   9.192   6.307
   67    HB2  LEU   8           HB2      LEU   8  -1.243   8.915   3.560
   68    HB3  LEU   8           HB3      LEU   8  -0.743  10.190   4.673
   69    HG   LEU   8           HG       LEU   8  -0.253   8.467   6.418
   70   HD11  LEU   8          HD11      LEU   8  -0.628   6.535   4.089
   71   HD12  LEU   8          HD12      LEU   8   0.083   6.128   5.666
   72   HD13  LEU   8          HD13      LEU   8  -1.620   6.582   5.574
   73   HD21  LEU   8          HD21      LEU   8   1.861   7.772   5.351
   74   HD22  LEU   8          HD22      LEU   8   1.195   8.205   3.754
   75   HD23  LEU   8          HD23      LEU   8   1.484   9.468   4.972
   76    H    HIS   9           H        HIS   9  -3.569  10.016   2.934
   77    HA   HIS   9           HA       HIS   9  -3.572  12.824   3.499
   78    HB2  HIS   9           HB2      HIS   9  -4.657  11.107   1.269
   79    HB3  HIS   9           HB3      HIS   9  -5.028  12.831   1.359
   80    HD2  HIS   9           HD2      HIS   9  -3.461  14.229  -0.091
   81    HE1  HIS   9           HE1      HIS   9   0.156  12.032   0.363
   82    HE2  HIS   9           HE2      HIS   9  -0.918  14.079  -0.710
   83    H    SER  10           H        SER  10  -5.998  10.333   4.133
   84    HA   SER  10           HA       SER  10  -8.149  12.272   4.439
   85    HB2  SER  10           HB2      SER  10  -9.364  10.393   5.465
   86    HB3  SER  10           HB3      SER  10  -8.651   9.934   3.910
   87    HG   SER  10           HG       SER  10  -7.183   8.739   4.905
   88    H    ARG  11           H        ARG  11  -5.395  11.377   6.309
   89    HA   ARG  11           HA       ARG  11  -6.598  12.388   8.828
   90    HB2  ARG  11           HB2      ARG  11  -3.954  11.020   8.226
   91    HB3  ARG  11           HB3      ARG  11  -4.473  11.584   9.831
   92    HG2  ARG  11           HG2      ARG  11  -6.444  10.103   9.735
   93    HG3  ARG  11           HG3      ARG  11  -5.943   9.531   8.126
   94    HD2  ARG  11           HD2      ARG  11  -3.795   8.724   9.117
   95    HD3  ARG  11           HD3      ARG  11  -4.355   9.251  10.711
   96    HE   ARG  11           HE       ARG  11  -5.528   7.052   9.064
   97   HH11  ARG  11          HH11      ARG  11  -5.125   8.636  12.216
   98   HH12  ARG  11          HH12      ARG  11  -5.899   7.331  13.082
   99   HH21  ARG  11          HH21      ARG  11  -6.527   5.390  10.237
  100   HH22  ARG  11          HH22      ARG  11  -6.694   5.511  11.972
  101    H    LEU  12           H        LEU  12  -4.841  13.506   6.126
  102    HA   LEU  12           HA       LEU  12  -3.214  15.483   7.492
  103    HB2  LEU  12           HB2      LEU  12  -2.614  14.573   5.272
  104    HB3  LEU  12           HB3      LEU  12  -4.151  15.138   4.615
  105    HG   LEU  12           HG       LEU  12  -3.453  17.510   5.130
  106   HD11  LEU  12          HD11      LEU  12  -0.763  16.165   5.650
  107   HD12  LEU  12          HD12      LEU  12  -1.041  17.911   5.497
  108   HD13  LEU  12          HD13      LEU  12  -1.751  17.014   6.861
  109   HD21  LEU  12          HD21      LEU  12  -1.668  15.877   3.296
  110   HD22  LEU  12          HD22      LEU  12  -3.273  16.542   2.901
  111   HD23  LEU  12          HD23      LEU  12  -1.911  17.640   3.223
  112    H    GLN  13           H        GLN  13  -6.521  15.290   6.291
  113    HA   GLN  13           HA       GLN  13  -6.954  18.090   5.964
  114    HB2  GLN  13           HB2      GLN  13  -8.912  15.810   6.426
  115    HB3  GLN  13           HB3      GLN  13  -9.355  17.446   5.897
  116    HG2  GLN  13           HG2      GLN  13  -7.939  17.183   3.879
  117    HG3  GLN  13           HG3      GLN  13  -7.497  15.549   4.392
  118   HE21  GLN  13          HE21      GLN  13  -8.460  15.387   2.028
  119   HE22  GLN  13          HE22      GLN  13 -10.161  14.967   1.966
  120    H    ASP  14           H        ASP  14  -8.523  19.402   7.243
  121    HA   ASP  14           HA       ASP  14  -7.792  19.370  10.014
  122    HB2  ASP  14           HB2      ASP  14  -9.658  21.102   8.397
  123    HB3  ASP  14           HB3      ASP  14  -9.433  21.310  10.135
  124    HN1  NH2  15           HN1      NH2  15 -10.035  17.404   8.561
  125    HN2  NH2  15           HN2      NH2  15 -11.095  17.171   9.934
  Start of MODEL   11
    1    H1   TRP   1           H1       TRP   1   2.744  -0.061  -1.752
    2    H2   TRP   1           H2       TRP   1   4.019  -0.303  -0.749
    3    H3   TRP   1           H3       TRP   1   3.858   1.139  -1.519
    4    HA   TRP   1           HA       TRP   1   2.051   0.063   0.540
    5    HB2  TRP   1           HB2      TRP   1   2.904   1.725   2.000
    6    HB3  TRP   1           HB3      TRP   1   4.280   0.842   1.349
    7    HD1  TRP   1           HD1      TRP   1   5.985   2.199  -0.179
    8    HE1  TRP   1           HE1      TRP   1   6.367   4.667  -0.653
    9    HE3  TRP   1           HE3      TRP   1   1.627   4.061   1.738
   10    HZ2  TRP   1           HZ2      TRP   1   4.941   7.158  -0.297
   11    HZ3  TRP   1           HZ3      TRP   1   1.170   6.487   1.658
   12    HH2  TRP   1           HH2      TRP   1   2.802   8.048   0.645
   13    H    TYR   2           H        TYR   2   2.230   1.953  -2.318
   14    HA   TYR   2           HA       TYR   2   0.889   4.253  -1.496
   15    HB2  TYR   2           HB2      TYR   2   1.323   3.037  -4.181
   16    HB3  TYR   2           HB3      TYR   2   0.307   4.456  -3.987
   17    HD1  TYR   2           HD1      TYR   2   3.672   3.336  -4.377
   18    HD2  TYR   2           HD2      TYR   2   1.263   6.472  -2.685
   19    HE1  TYR   2           HE1      TYR   2   5.648   4.828  -4.349
   20    HE2  TYR   2           HE2      TYR   2   3.238   7.978  -2.663
   21    HH   TYR   2           HH       TYR   2   6.445   6.902  -3.833
   22    H    HIS   3           H        HIS   3  -0.617   1.232  -1.612
   23    HA   HIS   3           HA       HIS   3  -3.251   2.197  -2.321
   24    HB2  HIS   3           HB2      HIS   3  -3.978   0.041  -1.320
   25    HB3  HIS   3           HB3      HIS   3  -2.725  -0.143  -2.556
   26    HD2  HIS   3           HD2      HIS   3  -3.565  -1.285   0.843
   27    HE1  HIS   3           HE1      HIS   3   0.649  -1.810   0.610
   28    HE2  HIS   3           HE2      HIS   3  -1.448  -2.375   1.938
   29    H    ARG   4           H        ARG   4  -1.241   2.424   0.504
   30    HA   ARG   4           HA       ARG   4  -3.509   2.996   2.292
   31    HB2  ARG   4           HB2      ARG   4  -0.503   2.984   2.762
   32    HB3  ARG   4           HB3      ARG   4  -1.746   3.227   4.005
   33    HG2  ARG   4           HG2      ARG   4  -2.692   0.985   3.497
   34    HG3  ARG   4           HG3      ARG   4  -1.419   0.730   2.284
   35    HD2  ARG   4           HD2      ARG   4  -0.796  -0.380   4.356
   36    HD3  ARG   4           HD3      ARG   4   0.302   0.968   4.047
   37    HE   ARG   4           HE       ARG   4  -0.530   2.099   5.910
   38   HH11  ARG   4          HH11      ARG   4  -2.531  -0.755   5.249
   39   HH12  ARG   4          HH12      ARG   4  -3.369  -0.648   6.778
   40   HH21  ARG   4          HH21      ARG   4  -1.643   2.190   7.892
   41   HH22  ARG   4          HH22      ARG   4  -2.877   1.011   8.259
   42    H    LEU   5           H        LEU   5  -1.950   4.728  -0.065
   43    HA   LEU   5           HA       LEU   5  -1.130   7.111   1.227
   44    HB2  LEU   5           HB2      LEU   5  -0.620   6.494  -1.126
   45    HB3  LEU   5           HB3      LEU   5  -2.336   6.657  -1.529
   46    HG   LEU   5           HG       LEU   5  -2.169   9.100  -0.782
   47   HD11  LEU   5          HD11      LEU   5   0.151  10.042  -0.840
   48   HD12  LEU   5          HD12      LEU   5  -0.115   8.959   0.546
   49   HD13  LEU   5          HD13      LEU   5   0.791   8.384  -0.876
   50   HD21  LEU   5          HD21      LEU   5  -2.184   8.396  -3.137
   51   HD22  LEU   5          HD22      LEU   5  -1.121   9.799  -2.884
   52   HD23  LEU   5          HD23      LEU   5  -0.408   8.183  -3.095
   53    H    SER   6           H        SER   6  -4.347   5.975   0.225
   54    HA   SER   6           HA       SER   6  -5.707   8.463   0.485
   55    HB2  SER   6           HB2      SER   6  -6.650   6.534  -0.701
   56    HB3  SER   6           HB3      SER   6  -6.687   5.602   0.810
   57    HG   SER   6           HG       SER   6  -8.134   7.963   0.218
   58    H    HIS   7           H        HIS   7  -4.586   6.129   2.899
   59    HA   HIS   7           HA       HIS   7  -6.344   7.104   4.992
   60    HB2  HIS   7           HB2      HIS   7  -3.810   5.434   5.121
   61    HB3  HIS   7           HB3      HIS   7  -4.939   5.703   6.450
   62    HD2  HIS   7           HD2      HIS   7  -6.651   3.818   6.766
   63    HE1  HIS   7           HE1      HIS   7  -6.815   2.277   2.804
   64    HE2  HIS   7           HE2      HIS   7  -7.679   1.996   5.188
   65    H    LEU   8           H        LEU   8  -3.017   7.789   3.867
   66    HA   LEU   8           HA       LEU   8  -2.315   9.433   6.147
   67    HB2  LEU   8           HB2      LEU   8  -1.230   9.064   3.332
   68    HB3  LEU   8           HB3      LEU   8  -0.631  10.347   4.388
   69    HG   LEU   8           HG       LEU   8  -0.064   8.653   6.128
   70   HD11  LEU   8          HD11      LEU   8  -0.628   6.684   3.870
   71   HD12  LEU   8          HD12      LEU   8   0.198   6.294   5.396
   72   HD13  LEU   8          HD13      LEU   8  -1.504   6.779   5.425
   73   HD21  LEU   8          HD21      LEU   8   1.574   9.601   4.548
   74   HD22  LEU   8          HD22      LEU   8   1.963   7.905   4.932
   75   HD23  LEU   8          HD23      LEU   8   1.193   8.318   3.378
   76    H    HIS   9           H        HIS   9  -3.522  10.115   2.812
   77    HA   HIS   9           HA       HIS   9  -3.588  12.953   3.278
   78    HB2  HIS   9           HB2      HIS   9  -4.673  11.137   1.114
   79    HB3  HIS   9           HB3      HIS   9  -4.973  12.880   1.127
   80    HD2  HIS   9           HD2      HIS   9  -3.370  14.017  -0.528
   81    HE1  HIS   9           HE1      HIS   9   0.212  11.880   0.301
   82    HE2  HIS   9           HE2      HIS   9  -0.817  13.761  -1.072
   83    H    SER  10           H        SER  10  -5.728  10.401   4.225
   84    HA   SER  10           HA       SER  10  -8.070  12.149   4.444
   85    HB2  SER  10           HB2      SER  10  -8.402   9.763   4.065
   86    HB3  SER  10           HB3      SER  10  -7.453   9.369   5.516
   87    HG   SER  10           HG       SER  10  -9.929  10.747   5.401
   88    H    ARG  11           H        ARG  11  -5.438  10.946   6.534
   89    HA   ARG  11           HA       ARG  11  -6.521  12.210   8.924
   90    HB2  ARG  11           HB2      ARG  11  -3.858  10.898   8.286
   91    HB3  ARG  11           HB3      ARG  11  -4.293  11.549   9.879
   92    HG2  ARG  11           HG2      ARG  11  -6.225  10.035  10.018
   93    HG3  ARG  11           HG3      ARG  11  -5.867   9.392   8.403
   94    HD2  ARG  11           HD2      ARG  11  -3.658   8.619   9.202
   95    HD3  ARG  11           HD3      ARG  11  -4.026   9.244  10.821
   96    HE   ARG  11           HE       ARG  11  -6.038   7.637  10.720
   97   HH11  ARG  11          HH11      ARG  11  -2.939   6.973   9.153
   98   HH12  ARG  11          HH12      ARG  11  -3.155   5.238   9.215
   99   HH21  ARG  11          HH21      ARG  11  -6.285   5.394  10.785
  100   HH22  ARG  11          HH22      ARG  11  -5.037   4.344  10.148
  101    H    LEU  12           H        LEU  12  -4.808  13.332   6.199
  102    HA   LEU  12           HA       LEU  12  -3.267  15.430   7.460
  103    HB2  LEU  12           HB2      LEU  12  -2.702  14.523   5.252
  104    HB3  LEU  12           HB3      LEU  12  -4.306  14.944   4.643
  105    HG   LEU  12           HG       LEU  12  -3.777  17.377   5.014
  106   HD11  LEU  12          HD11      LEU  12  -0.976  16.268   5.498
  107   HD12  LEU  12          HD12      LEU  12  -1.395  17.987   5.293
  108   HD13  LEU  12          HD13      LEU  12  -1.980  17.093   6.709
  109   HD21  LEU  12          HD21      LEU  12  -3.575  16.308   2.822
  110   HD22  LEU  12          HD22      LEU  12  -2.317  17.537   3.047
  111   HD23  LEU  12          HD23      LEU  12  -1.905  15.811   3.207
  112    H    GLN  13           H        GLN  13  -6.630  15.029   6.552
  113    HA   GLN  13           HA       GLN  13  -7.198  17.775   6.024
  114    HB2  GLN  13           HB2      GLN  13  -9.091  15.554   6.913
  115    HB3  GLN  13           HB3      GLN  13  -9.545  17.057   6.103
  116    HG2  GLN  13           HG2      GLN  13  -7.843  14.812   4.948
  117    HG3  GLN  13           HG3      GLN  13  -9.499  15.208   4.481
  118   HE21  GLN  13          HE21      GLN  13  -7.038  15.090   2.831
  119   HE22  GLN  13          HE22      GLN  13  -6.895  16.673   2.088
  120    H    ASP  14           H        ASP  14  -8.675  19.152   7.278
  121    HA   ASP  14           HA       ASP  14  -7.750  19.382   9.989
  122    HB2  ASP  14           HB2      ASP  14  -9.707  20.985   8.353
  123    HB3  ASP  14           HB3      ASP  14  -9.353  21.339  10.049
  124    HN1  NH2  15           HN1      NH2  15 -10.042  17.294   8.891
  125    HN2  NH2  15           HN2      NH2  15 -11.040  17.207  10.326
  Start of MODEL   12
    1    H1   TRP   1           H1       TRP   1   2.893  -0.049  -1.513
    2    H2   TRP   1           H2       TRP   1   4.122  -0.270  -0.455
    3    H3   TRP   1           H3       TRP   1   3.982   1.162  -1.259
    4    HA   TRP   1           HA       TRP   1   2.108   0.100   0.749
    5    HB2  TRP   1           HB2      TRP   1   2.874   1.801   2.213
    6    HB3  TRP   1           HB3      TRP   1   4.295   0.940   1.635
    7    HD1  TRP   1           HD1      TRP   1   6.004   2.307   0.131
    8    HE1  TRP   1           HE1      TRP   1   6.354   4.795  -0.342
    9    HE3  TRP   1           HE3      TRP   1   1.562   4.092   1.918
   10    HZ2  TRP   1           HZ2      TRP   1   4.864   7.251  -0.038
   11    HZ3  TRP   1           HZ3      TRP   1   1.042   6.505   1.783
   12    HH2  TRP   1           HH2      TRP   1   2.677   8.098   0.808
   13    H    TYR   2           H        TYR   2   2.385   1.959  -2.119
   14    HA   TYR   2           HA       TYR   2   0.974   4.246  -1.385
   15    HB2  TYR   2           HB2      TYR   2   1.537   3.011  -4.040
   16    HB3  TYR   2           HB3      TYR   2   0.489   4.423  -3.891
   17    HD1  TYR   2           HD1      TYR   2   3.885   3.319  -4.102
   18    HD2  TYR   2           HD2      TYR   2   1.372   6.464  -2.582
   19    HE1  TYR   2           HE1      TYR   2   5.846   4.835  -4.001
   20    HE2  TYR   2           HE2      TYR   2   3.325   7.986  -2.488
   21    HH   TYR   2           HH       TYR   2   5.572   8.216  -2.853
   22    H    HIS   3           H        HIS   3  -0.493   1.186  -1.580
   23    HA   HIS   3           HA       HIS   3  -3.107   2.127  -2.374
   24    HB2  HIS   3           HB2      HIS   3  -3.849  -0.039  -1.389
   25    HB3  HIS   3           HB3      HIS   3  -2.545  -0.210  -2.569
   26    HD2  HIS   3           HD2      HIS   3  -3.511  -1.342   0.808
   27    HE1  HIS   3           HE1      HIS   3   0.717  -1.831   0.719
   28    HE2  HIS   3           HE2      HIS   3  -1.426  -2.420   1.975
   29    H    ARG   4           H        ARG   4  -1.209   2.393   0.523
   30    HA   ARG   4           HA       ARG   4  -3.560   2.989   2.196
   31    HB2  ARG   4           HB2      ARG   4  -0.591   2.935   2.850
   32    HB3  ARG   4           HB3      ARG   4  -1.903   3.188   4.010
   33    HG2  ARG   4           HG2      ARG   4  -2.834   0.943   3.419
   34    HG3  ARG   4           HG3      ARG   4  -1.461   0.697   2.309
   35    HD2  ARG   4           HD2      ARG   4  -1.013  -0.417   4.428
   36    HD3  ARG   4           HD3      ARG   4   0.112   0.931   4.199
   37    HE   ARG   4           HE       ARG   4  -2.330   1.068   5.940
   38   HH11  ARG   4          HH11      ARG   4   1.089   1.812   5.379
   39   HH12  ARG   4          HH12      ARG   4   1.260   2.669   6.895
   40   HH21  ARG   4          HH21      ARG   4  -2.068   2.188   7.880
   41   HH22  ARG   4          HH22      ARG   4  -0.518   2.888   8.298
   42    H    LEU   5           H        LEU   5  -1.954   4.714  -0.112
   43    HA   LEU   5           HA       LEU   5  -1.079   7.067   1.198
   44    HB2  LEU   5           HB2      LEU   5  -0.583   6.512  -1.153
   45    HB3  LEU   5           HB3      LEU   5  -2.303   6.629  -1.552
   46    HG   LEU   5           HG       LEU   5  -2.247   9.051  -0.815
   47   HD11  LEU   5          HD11      LEU   5   0.752   8.470  -0.797
   48   HD12  LEU   5          HD12      LEU   5   0.037  10.094  -0.777
   49   HD13  LEU   5          HD13      LEU   5  -0.224   8.991   0.595
   50   HD21  LEU   5          HD21      LEU   5  -2.124   8.365  -3.173
   51   HD22  LEU   5          HD22      LEU   5  -1.151   9.819  -2.869
   52   HD23  LEU   5          HD23      LEU   5  -0.350   8.234  -3.050
   53    H    SER   6           H        SER   6  -4.355   6.060   0.150
   54    HA   SER   6           HA       SER   6  -5.545   8.638   0.531
   55    HB2  SER   6           HB2      SER   6  -6.666   5.818   0.471
   56    HB3  SER   6           HB3      SER   6  -7.671   7.285   0.591
   57    HG   SER   6           HG       SER   6  -5.843   6.646  -1.480
   58    H    HIS   7           H        HIS   7  -4.619   6.091   2.794
   59    HA   HIS   7           HA       HIS   7  -6.418   6.969   4.892
   60    HB2  HIS   7           HB2      HIS   7  -3.886   5.288   4.991
   61    HB3  HIS   7           HB3      HIS   7  -5.044   5.493   6.308
   62    HD2  HIS   7           HD2      HIS   7  -6.756   3.596   6.500
   63    HE1  HIS   7           HE1      HIS   7  -6.869   2.270   2.460
   64    HE2  HIS   7           HE2      HIS   7  -7.759   1.858   4.815
   65    H    LEU   8           H        LEU   8  -3.090   7.743   3.843
   66    HA   LEU   8           HA       LEU   8  -2.470   9.317   6.209
   67    HB2  LEU   8           HB2      LEU   8  -1.250   9.000   3.437
   68    HB3  LEU   8           HB3      LEU   8  -0.714  10.264   4.542
   69    HG   LEU   8           HG       LEU   8  -0.258   8.508   6.287
   70   HD11  LEU   8          HD11      LEU   8  -1.612   6.641   5.396
   71   HD12  LEU   8          HD12      LEU   8  -0.628   6.628   3.908
   72   HD13  LEU   8          HD13      LEU   8   0.097   6.189   5.474
   73   HD21  LEU   8          HD21      LEU   8   1.192   8.312   3.618
   74   HD22  LEU   8          HD22      LEU   8   1.475   9.546   4.869
   75   HD23  LEU   8          HD23      LEU   8   1.870   7.844   5.199
   76    H    HIS   9           H        HIS   9  -3.606  10.032   2.848
   77    HA   HIS   9           HA       HIS   9  -3.648  12.855   3.315
   78    HB2  HIS   9           HB2      HIS   9  -4.772  11.036   1.184
   79    HB3  HIS   9           HB3      HIS   9  -5.119  12.769   1.200
   80    HD2  HIS   9           HD2      HIS   9  -3.605  13.942  -0.499
   81    HE1  HIS   9           HE1      HIS   9   0.062  11.929   0.265
   82    HE2  HIS   9           HE2      HIS   9  -1.059  13.777  -1.092
   83    H    SER  10           H        SER  10  -5.857  10.334   4.264
   84    HA   SER  10           HA       SER  10  -8.127  12.154   4.556
   85    HB2  SER  10           HB2      SER  10  -7.581   9.355   5.632
   86    HB3  SER  10           HB3      SER  10  -9.091  10.250   5.874
   87    HG   SER  10           HG       SER  10  -7.946   9.406   3.434
   88    H    ARG  11           H        ARG  11  -5.329  11.166   6.450
   89    HA   ARG  11           HA       ARG  11  -6.384  12.359   8.923
   90    HB2  ARG  11           HB2      ARG  11  -3.759  11.017   8.188
   91    HB3  ARG  11           HB3      ARG  11  -4.108  11.685   9.792
   92    HG2  ARG  11           HG2      ARG  11  -6.040  10.186  10.036
   93    HG3  ARG  11           HG3      ARG  11  -5.787   9.551   8.401
   94    HD2  ARG  11           HD2      ARG  11  -3.557   8.726   9.051
   95    HD3  ARG  11           HD3      ARG  11  -3.780   9.356  10.688
   96    HE   ARG  11           HE       ARG  11  -5.153   7.025   9.449
   97   HH11  ARG  11          HH11      ARG  11  -4.675   9.074  12.304
   98   HH12  ARG  11          HH12      ARG  11  -5.418   7.914  13.385
   99   HH21  ARG  11          HH21      ARG  11  -6.110   5.561  10.889
  100   HH22  ARG  11          HH22      ARG  11  -6.219   5.950  12.594
  101    H    LEU  12           H        LEU  12  -4.818  13.462   6.108
  102    HA   LEU  12           HA       LEU  12  -3.216  15.555   7.287
  103    HB2  LEU  12           HB2      LEU  12  -2.802  14.693   5.022
  104    HB3  LEU  12           HB3      LEU  12  -4.441  15.143   4.532
  105    HG   LEU  12           HG       LEU  12  -3.856  17.563   4.957
  106   HD11  LEU  12          HD11      LEU  12  -1.053  16.383   5.192
  107   HD12  LEU  12          HD12      LEU  12  -1.434  18.117   5.055
  108   HD13  LEU  12          HD13      LEU  12  -1.944  17.203   6.490
  109   HD21  LEU  12          HD21      LEU  12  -3.852  16.559   2.721
  110   HD22  LEU  12          HD22      LEU  12  -2.555  17.767   2.881
  111   HD23  LEU  12          HD23      LEU  12  -2.166  16.030   2.945
  112    H    GLN  13           H        GLN  13  -6.630  15.153   6.542
  113    HA   GLN  13           HA       GLN  13  -7.219  17.928   6.189
  114    HB2  GLN  13           HB2      GLN  13  -9.015  15.570   6.872
  115    HB3  GLN  13           HB3      GLN  13  -9.576  17.163   6.328
  116    HG2  GLN  13           HG2      GLN  13  -8.301  16.877   4.203
  117    HG3  GLN  13           HG3      GLN  13  -7.781  15.278   4.735
  118   HE21  GLN  13          HE21      GLN  13  -8.944  15.046   2.441
  119   HE22  GLN  13          HE22      GLN  13 -10.621  14.554   2.548
  120    H    ASP  14           H        ASP  14  -6.446  16.187   9.023
  121    HA   ASP  14           HA       ASP  14  -7.427  18.412  10.634
  122    HB2  ASP  14           HB2      ASP  14  -8.342  16.819  12.382
  123    HB3  ASP  14           HB3      ASP  14  -9.297  17.101  10.922
  124    HN1  NH2  15           HN1      NH2  15  -4.792  16.900   9.772
  125    HN2  NH2  15           HN2      NH2  15  -3.899  16.905  11.278
  Start of MODEL   13
    1    H1   TRP   1           H1       TRP   1   2.280  -0.005  -2.622
    2    H2   TRP   1           H2       TRP   1   3.624  -0.383  -1.755
    3    H3   TRP   1           H3       TRP   1   3.489   1.105  -2.444
    4    HA   TRP   1           HA       TRP   1   1.820   0.035  -0.269
    5    HB2  TRP   1           HB2      TRP   1   2.916   1.574   1.173
    6    HB3  TRP   1           HB3      TRP   1   4.175   0.684   0.339
    7    HD1  TRP   1           HD1      TRP   1   5.770   2.040  -1.284
    8    HE1  TRP   1           HE1      TRP   1   6.207   4.520  -1.676
    9    HE3  TRP   1           HE3      TRP   1   1.706   3.963   1.152
   10    HZ2  TRP   1           HZ2      TRP   1   4.932   7.037  -1.052
   11    HZ3  TRP   1           HZ3      TRP   1   1.328   6.405   1.210
   12    HH2  TRP   1           HH2      TRP   1   2.926   7.955   0.117
   13    H    TYR   2           H        TYR   2   1.831   2.048  -3.048
   14    HA   TYR   2           HA       TYR   2   0.823   4.406  -1.986
   15    HB2  TYR   2           HB2      TYR   2   0.810   3.283  -4.754
   16    HB3  TYR   2           HB3      TYR   2  -0.018   4.793  -4.392
   17    HD1  TYR   2           HD1      TYR   2   3.119   3.356  -5.247
   18    HD2  TYR   2           HD2      TYR   2   1.316   6.622  -3.110
   19    HE1  TYR   2           HE1      TYR   2   5.243   4.629  -5.409
   20    HE2  TYR   2           HE2      TYR   2   3.434   7.901  -3.272
   21    HH   TYR   2           HH       TYR   2   6.331   6.573  -4.909
   22    H    HIS   3           H        HIS   3  -1.021   1.557  -2.102
   23    HA   HIS   3           HA       HIS   3  -3.599   2.855  -2.417
   24    HB2  HIS   3           HB2      HIS   3  -4.452   0.709  -1.499
   25    HB3  HIS   3           HB3      HIS   3  -3.351   0.482  -2.859
   26    HD2  HIS   3           HD2      HIS   3  -3.939  -0.686   0.619
   27    HE1  HIS   3           HE1      HIS   3   0.101  -1.749  -0.184
   28    HE2  HIS   3           HE2      HIS   3  -1.862  -2.082   1.409
   29    H    ARG   4           H        ARG   4  -1.274   2.552   0.175
   30    HA   ARG   4           HA       ARG   4  -3.195   3.035   2.309
   31    HB2  ARG   4           HB2      ARG   4  -0.154   3.188   2.251
   32    HB3  ARG   4           HB3      ARG   4  -1.160   3.294   3.707
   33    HG2  ARG   4           HG2      ARG   4  -2.047   1.018   3.259
   34    HG3  ARG   4           HG3      ARG   4  -1.042   0.916   1.804
   35    HD2  ARG   4           HD2      ARG   4   0.075  -0.252   3.638
   36    HD3  ARG   4           HD3      ARG   4   0.997   1.185   3.191
   37    HE   ARG   4           HE       ARG   4   0.463   2.186   5.241
   38   HH11  ARG   4          HH11      ARG   4  -1.287  -0.862   4.869
   39   HH12  ARG   4          HH12      ARG   4  -1.763  -0.928   6.554
   40   HH21  ARG   4          HH21      ARG   4  -0.178   2.072   7.426
   41   HH22  ARG   4          HH22      ARG   4  -1.142   0.729   7.988
   42    H    LEU   5           H        LEU   5  -1.733   5.013  -0.065
   43    HA   LEU   5           HA       LEU   5  -1.114   7.368   1.360
   44    HB2  LEU   5           HB2      LEU   5  -0.571   6.844  -1.029
   45    HB3  LEU   5           HB3      LEU   5  -2.290   6.999  -1.419
   46    HG   LEU   5           HG       LEU   5  -2.146   9.403  -0.497
   47   HD11  LEU   5          HD11      LEU   5   0.823   8.763  -0.826
   48   HD12  LEU   5          HD12      LEU   5   0.144  10.391  -0.622
   49   HD13  LEU   5          HD13      LEU   5   0.007   9.199   0.692
   50   HD21  LEU   5          HD21      LEU   5  -0.532   8.627  -2.948
   51   HD22  LEU   5          HD22      LEU   5  -2.302   8.810  -2.876
   52   HD23  LEU   5          HD23      LEU   5  -1.250  10.225  -2.618
   53    H    SER   6           H        SER   6  -4.223   5.999   0.337
   54    HA   SER   6           HA       SER   6  -5.812   8.337   0.649
   55    HB2  SER   6           HB2      SER   6  -6.551   6.315  -0.545
   56    HB3  SER   6           HB3      SER   6  -6.498   5.392   0.968
   57    HG   SER   6           HG       SER   6  -8.600   6.159   0.455
   58    H    HIS   7           H        HIS   7  -4.513   6.015   3.025
   59    HA   HIS   7           HA       HIS   7  -6.359   6.892   5.103
   60    HB2  HIS   7           HB2      HIS   7  -3.779   5.367   5.513
   61    HB3  HIS   7           HB3      HIS   7  -5.231   5.342   6.512
   62    HD2  HIS   7           HD2      HIS   7  -3.514   2.972   4.654
   63    HE1  HIS   7           HE1      HIS   7  -7.441   2.282   3.182
   64    HE2  HIS   7           HE2      HIS   7  -5.091   1.325   3.365
   65    H    LEU   8           H        LEU   8  -3.040   7.659   4.038
   66    HA   LEU   8           HA       LEU   8  -2.370   9.215   6.388
   67    HB2  LEU   8           HB2      LEU   8  -1.249   8.935   3.575
   68    HB3  LEU   8           HB3      LEU   8  -0.687  10.219   4.657
   69    HG   LEU   8           HG       LEU   8  -0.104   8.495   6.373
   70   HD11  LEU   8          HD11      LEU   8  -1.521   6.619   5.613
   71   HD12  LEU   8          HD12      LEU   8  -0.629   6.570   4.065
   72   HD13  LEU   8          HD13      LEU   8   0.189   6.159   5.589
   73   HD21  LEU   8          HD21      LEU   8   1.540   9.496   4.830
   74   HD22  LEU   8          HD22      LEU   8   1.939   7.791   5.168
   75   HD23  LEU   8          HD23      LEU   8   1.178   8.244   3.623
   76    H    HIS   9           H        HIS   9  -3.606  10.021   3.081
   77    HA   HIS   9           HA       HIS   9  -3.641  12.839   3.668
   78    HB2  HIS   9           HB2      HIS   9  -4.709  11.111   1.435
   79    HB3  HIS   9           HB3      HIS   9  -5.106  12.828   1.529
   80    HD2  HIS   9           HD2      HIS   9  -3.595  14.104  -0.106
   81    HE1  HIS   9           HE1      HIS   9   0.120  12.183   0.634
   82    HE2  HIS   9           HE2      HIS   9  -1.038  14.039  -0.668
   83    H    SER  10           H        SER  10  -5.917  10.228   4.276
   84    HA   SER  10           HA       SER  10  -8.224  11.938   4.633
   85    HB2  SER  10           HB2      SER  10  -8.466   9.556   4.190
   86    HB3  SER  10           HB3      SER  10  -7.550   9.162   5.663
   87    HG   SER  10           HG       SER  10  -9.839   9.061   5.934
   88    H    ARG  11           H        ARG  11  -5.391  11.197   6.523
   89    HA   ARG  11           HA       ARG  11  -6.589  12.332   8.986
   90    HB2  ARG  11           HB2      ARG  11  -3.973  10.901   8.401
   91    HB3  ARG  11           HB3      ARG  11  -4.386  11.607   9.980
   92    HG2  ARG  11           HG2      ARG  11  -6.384  10.173  10.122
   93    HG3  ARG  11           HG3      ARG  11  -6.019   9.475   8.530
   94    HD2  ARG  11           HD2      ARG  11  -3.859   8.636   9.391
   95    HD3  ARG  11           HD3      ARG  11  -4.218   9.322  10.986
   96    HE   ARG  11           HE       ARG  11  -5.543   6.992   9.688
   97   HH11  ARG  11          HH11      ARG  11  -5.177   9.064  12.534
   98   HH12  ARG  11          HH12      ARG  11  -6.000   7.939  13.595
   99   HH21  ARG  11          HH21      ARG  11  -6.578   5.546  11.096
  100   HH22  ARG  11          HH22      ARG  11  -6.790   5.963  12.782
  101    H    LEU  12           H        LEU  12  -4.679  13.272   6.265
  102    HA   LEU  12           HA       LEU  12  -3.254  15.424   7.617
  103    HB2  LEU  12           HB2      LEU  12  -2.309  14.302   5.647
  104    HB3  LEU  12           HB3      LEU  12  -3.754  14.722   4.705
  105    HG   LEU  12           HG       LEU  12  -3.208  17.161   5.025
  106   HD11  LEU  12          HD11      LEU  12  -0.595  16.009   6.107
  107   HD12  LEU  12          HD12      LEU  12  -0.902  17.719   5.718
  108   HD13  LEU  12          HD13      LEU  12  -1.781  16.938   7.050
  109   HD21  LEU  12          HD21      LEU  12  -2.624  15.933   2.986
  110   HD22  LEU  12          HD22      LEU  12  -1.393  17.155   3.372
  111   HD23  LEU  12          HD23      LEU  12  -1.075  15.437   3.712
  112    H    GLN  13           H        GLN  13  -6.278  15.008   5.784
  113    HA   GLN  13           HA       GLN  13  -6.701  17.783   5.272
  114    HB2  GLN  13           HB2      GLN  13  -8.991  17.086   4.696
  115    HB3  GLN  13           HB3      GLN  13  -7.784  16.020   3.959
  116    HG2  GLN  13           HG2      GLN  13  -8.141  14.360   5.754
  117    HG3  GLN  13           HG3      GLN  13  -9.326  15.419   6.527
  118   HE21  GLN  13          HE21      GLN  13 -10.237  12.979   6.012
  119   HE22  GLN  13          HE22      GLN  13 -11.289  12.958   4.610
  120    H    ASP  14           H        ASP  14  -8.475  19.102   6.147
  121    HA   ASP  14           HA       ASP  14  -8.342  19.187   9.012
  122    HB2  ASP  14           HB2      ASP  14  -8.343  21.243   7.915
  123    HB3  ASP  14           HB3      ASP  14  -9.759  20.822   6.942
  124    HN1  NH2  15           HN1      NH2  15  -9.200  17.525  10.070
  125    HN2  NH2  15           HN2      NH2  15 -10.913  17.131  10.049
  Start of MODEL   14
    1    H1   TRP   1           H1       TRP   1   2.832   0.291  -2.108
    2    H2   TRP   1           H2       TRP   1   4.151   0.060  -1.158
    3    H3   TRP   1           H3       TRP   1   3.918   1.516  -1.881
    4    HA   TRP   1           HA       TRP   1   2.219   0.321   0.203
    5    HB2  TRP   1           HB2      TRP   1   3.053   1.989   1.686
    6    HB3  TRP   1           HB3      TRP   1   4.434   1.167   0.979
    7    HD1  TRP   1           HD1      TRP   1   6.057   2.605  -0.562
    8    HE1  TRP   1           HE1      TRP   1   6.359   5.101  -0.967
    9    HE3  TRP   1           HE3      TRP   1   1.697   4.282   1.512
   10    HZ2  TRP   1           HZ2      TRP   1   4.883   7.545  -0.473
   11    HZ3  TRP   1           HZ3      TRP   1   1.162   6.692   1.507
   12    HH2  TRP   1           HH2      TRP   1   2.743   8.333   0.526
   13    H    TYR   2           H        TYR   2   2.257   2.321  -2.585
   14    HA   TYR   2           HA       TYR   2   0.820   4.518  -1.655
   15    HB2  TYR   2           HB2      TYR   2   1.235   3.404  -4.395
   16    HB3  TYR   2           HB3      TYR   2   0.179   4.789  -4.123
   17    HD1  TYR   2           HD1      TYR   2   3.568   3.783  -4.610
   18    HD2  TYR   2           HD2      TYR   2   1.093   6.790  -2.794
   19    HE1  TYR   2           HE1      TYR   2   5.498   5.341  -4.578
   20    HE2  TYR   2           HE2      TYR   2   3.019   8.363  -2.755
   21    HH   TYR   2           HH       TYR   2   5.216   8.673  -3.269
   22    H    HIS   3           H        HIS   3  -0.549   1.422  -1.886
   23    HA   HIS   3           HA       HIS   3  -3.245   2.290  -2.483
   24    HB2  HIS   3           HB2      HIS   3  -3.849   0.068  -1.541
   25    HB3  HIS   3           HB3      HIS   3  -2.611  -0.018  -2.799
   26    HD2  HIS   3           HD2      HIS   3  -3.330  -1.320   0.564
   27    HE1  HIS   3           HE1      HIS   3   0.905  -1.605   0.247
   28    HE2  HIS   3           HE2      HIS   3  -1.145  -2.345   1.581
   29    H    ARG   4           H        ARG   4  -1.182   2.530   0.294
   30    HA   ARG   4           HA       ARG   4  -3.453   3.010   2.112
   31    HB2  ARG   4           HB2      ARG   4  -0.453   2.951   2.598
   32    HB3  ARG   4           HB3      ARG   4  -1.681   3.236   3.837
   33    HG2  ARG   4           HG2      ARG   4  -2.704   1.024   3.336
   34    HG3  ARG   4           HG3      ARG   4  -1.429   0.718   2.136
   35    HD2  ARG   4           HD2      ARG   4   0.287   0.949   3.906
   36    HD3  ARG   4           HD3      ARG   4  -0.986   1.248   5.106
   37    HE   ARG   4           HE       ARG   4  -1.852  -1.063   4.531
   38   HH11  ARG   4          HH11      ARG   4   1.577  -0.261   4.102
   39   HH12  ARG   4          HH12      ARG   4   2.088  -1.925   4.277
   40   HH21  ARG   4          HH21      ARG   4  -1.146  -3.197   4.735
   41   HH22  ARG   4          HH22      ARG   4   0.556  -3.579   4.627
   42    H    LEU   5           H        LEU   5  -2.068   4.843  -0.225
   43    HA   LEU   5           HA       LEU   5  -1.144   7.156   1.108
   44    HB2  LEU   5           HB2      LEU   5  -0.837   6.648  -1.304
   45    HB3  LEU   5           HB3      LEU   5  -2.577   6.877  -1.552
   46    HG   LEU   5           HG       LEU   5  -2.284   9.264  -0.680
   47   HD11  LEU   5          HD11      LEU   5   0.649   8.495  -1.067
   48   HD12  LEU   5          HD12      LEU   5   0.054  10.154  -0.869
   49   HD13  LEU   5          HD13      LEU   5  -0.122   8.993   0.465
   50   HD21  LEU   5          HD21      LEU   5  -2.506   8.704  -3.061
   51   HD22  LEU   5          HD22      LEU   5  -1.390  10.066  -2.820
   52   HD23  LEU   5          HD23      LEU   5  -0.747   8.440  -3.170
   53    H    SER   6           H        SER   6  -4.445   6.084   0.290
   54    HA   SER   6           HA       SER   6  -5.750   8.561   0.870
   55    HB2  SER   6           HB2      SER   6  -6.777   6.768  -0.451
   56    HB3  SER   6           HB3      SER   6  -6.741   5.688   0.959
   57    HG   SER   6           HG       SER   6  -8.768   6.708   0.683
   58    H    HIS   7           H        HIS   7  -4.588   5.898   2.919
   59    HA   HIS   7           HA       HIS   7  -6.175   6.615   5.211
   60    HB2  HIS   7           HB2      HIS   7  -3.604   5.009   5.001
   61    HB3  HIS   7           HB3      HIS   7  -4.659   5.090   6.415
   62    HD2  HIS   7           HD2      HIS   7  -6.276   3.103   6.599
   63    HE1  HIS   7           HE1      HIS   7  -6.705   2.111   2.483
   64    HE2  HIS   7           HE2      HIS   7  -7.373   1.476   4.864
   65    H    LEU   8           H        LEU   8  -3.150   7.796   3.840
   66    HA   LEU   8           HA       LEU   8  -2.409   9.225   6.318
   67    HB2  LEU   8           HB2      LEU   8  -1.231   8.946   3.530
   68    HB3  LEU   8           HB3      LEU   8  -0.701  10.217   4.641
   69    HG   LEU   8           HG       LEU   8  -0.141   8.477   6.347
   70   HD11  LEU   8          HD11      LEU   8   0.175   6.154   5.574
   71   HD12  LEU   8          HD12      LEU   8  -1.538   6.607   5.556
   72   HD13  LEU   8          HD13      LEU   8  -0.619   6.557   4.030
   73   HD21  LEU   8          HD21      LEU   8   1.539   9.480   4.838
   74   HD22  LEU   8          HD22      LEU   8   1.927   7.783   5.185
   75   HD23  LEU   8          HD23      LEU   8   1.198   8.219   3.623
   76    H    HIS   9           H        HIS   9  -3.560  10.007   2.973
   77    HA   HIS   9           HA       HIS   9  -3.554  12.829   3.507
   78    HB2  HIS   9           HB2      HIS   9  -4.616  11.073   1.297
   79    HB3  HIS   9           HB3      HIS   9  -4.965  12.810   1.347
   80    HD2  HIS   9           HD2      HIS   9  -3.394  14.071  -0.221
   81    HE1  HIS   9           HE1      HIS   9   0.224  11.942   0.456
   82    HE2  HIS   9           HE2      HIS   9  -0.851  13.889  -0.800
   83    H    SER  10           H        SER  10  -5.989  10.321   4.084
   84    HA   SER  10           HA       SER  10  -8.143  12.251   4.375
   85    HB2  SER  10           HB2      SER  10  -9.368  10.370   5.379
   86    HB3  SER  10           HB3      SER  10  -8.612   9.901   3.836
   87    HG   SER  10           HG       SER  10  -7.109   8.771   4.907
   88    H    ARG  11           H        ARG  11  -5.417  11.397   6.272
   89    HA   ARG  11           HA       ARG  11  -6.670  12.410   8.768
   90    HB2  ARG  11           HB2      ARG  11  -4.036  10.990   8.232
   91    HB3  ARG  11           HB3      ARG  11  -4.568  11.585   9.823
   92    HG2  ARG  11           HG2      ARG  11  -6.578  10.147   9.694
   93    HG3  ARG  11           HG3      ARG  11  -6.040   9.525   8.121
   94    HD2  ARG  11           HD2      ARG  11  -3.963   8.675   9.169
   95    HD3  ARG  11           HD3      ARG  11  -4.498   9.280  10.743
   96    HE   ARG  11           HE       ARG  11  -5.574   6.954   9.253
   97   HH11  ARG  11          HH11      ARG  11  -5.821   9.076  12.078
   98   HH12  ARG  11          HH12      ARG  11  -6.808   7.947  12.974
   99   HH21  ARG  11          HH21      ARG  11  -6.867   5.516  10.447
  100   HH22  ARG  11          HH22      ARG  11  -7.398   5.945  12.055
  101    H    LEU  12           H        LEU  12  -4.837  13.502   6.114
  102    HA   LEU  12           HA       LEU  12  -3.238  15.478   7.506
  103    HB2  LEU  12           HB2      LEU  12  -2.599  14.590   5.303
  104    HB3  LEU  12           HB3      LEU  12  -4.134  15.145   4.620
  105    HG   LEU  12           HG       LEU  12  -3.469  17.516   5.146
  106   HD11  LEU  12          HD11      LEU  12  -1.800  17.034   6.916
  107   HD12  LEU  12          HD12      LEU  12  -0.779  16.192   5.731
  108   HD13  LEU  12          HD13      LEU  12  -1.065  17.942   5.577
  109   HD21  LEU  12          HD21      LEU  12  -1.897  17.674   3.273
  110   HD22  LEU  12          HD22      LEU  12  -1.624  15.918   3.347
  111   HD23  LEU  12          HD23      LEU  12  -3.237  16.560   2.924
  112    H    GLN  13           H        GLN  13  -6.515  15.283   6.224
  113    HA   GLN  13           HA       GLN  13  -6.966  18.086   5.931
  114    HB2  GLN  13           HB2      GLN  13  -8.918  15.796   6.374
  115    HB3  GLN  13           HB3      GLN  13  -9.356  17.427   5.832
  116    HG2  GLN  13           HG2      GLN  13  -7.936  17.157   3.824
  117    HG3  GLN  13           HG3      GLN  13  -7.486  15.534   4.342
  118   HE21  GLN  13          HE21      GLN  13  -8.470  15.417   1.945
  119   HE22  GLN  13          HE22      GLN  13 -10.155  14.937   1.908
  120    H    ASP  14           H        ASP  14  -8.476  19.408   7.205
  121    HA   ASP  14           HA       ASP  14  -7.812  19.367  10.018
  122    HB2  ASP  14           HB2      ASP  14  -8.159  21.405   8.564
  123    HB3  ASP  14           HB3      ASP  14  -9.876  21.001   8.468
  124    HN1  NH2  15           HN1      NH2  15 -10.148  17.682   8.148
  125    HN2  NH2  15           HN2      NH2  15 -11.284  17.314   9.429
  Start of MODEL   15
    1    H1   TRP   1           H1       TRP   1   3.980   1.296  -1.474
    2    H2   TRP   1           H2       TRP   1   2.912   0.059  -1.706
    3    H3   TRP   1           H3       TRP   1   4.205  -0.146  -0.711
    4    HA   TRP   1           HA       TRP   1   2.221   0.130   0.575
    5    HB2  TRP   1           HB2      TRP   1   3.003   1.815   2.055
    6    HB3  TRP   1           HB3      TRP   1   4.413   0.991   1.414
    7    HD1  TRP   1           HD1      TRP   1   6.081   2.421  -0.081
    8    HE1  TRP   1           HE1      TRP   1   6.377   4.918  -0.511
    9    HE3  TRP   1           HE3      TRP   1   1.637   4.092   1.811
   10    HZ2  TRP   1           HZ2      TRP   1   4.864   7.346  -0.116
   11    HZ3  TRP   1           HZ3      TRP   1   1.089   6.506   1.759
   12    HH2  TRP   1           HH2      TRP   1   2.685   8.140   0.805
   13    H    TYR   2           H        TYR   2   2.342   2.060  -2.248
   14    HA   TYR   2           HA       TYR   2   0.930   4.306  -1.401
   15    HB2  TYR   2           HB2      TYR   2   1.399   3.138  -4.107
   16    HB3  TYR   2           HB3      TYR   2   0.361   4.541  -3.887
   17    HD1  TYR   2           HD1      TYR   2   3.744   3.465  -4.277
   18    HD2  TYR   2           HD2      TYR   2   1.283   6.558  -2.572
   19    HE1  TYR   2           HE1      TYR   2   5.695   4.996  -4.241
   20    HE2  TYR   2           HE2      TYR   2   3.228   8.092  -2.535
   21    HH   TYR   2           HH       TYR   2   6.458   7.096  -3.720
   22    H    HIS   3           H        HIS   3  -0.495   1.248  -1.562
   23    HA   HIS   3           HA       HIS   3  -3.145   2.131  -2.298
   24    HB2  HIS   3           HB2      HIS   3  -3.826  -0.033  -1.271
   25    HB3  HIS   3           HB3      HIS   3  -2.561  -0.189  -2.496
   26    HD2  HIS   3           HD2      HIS   3  -3.350  -1.269   0.965
   27    HE1  HIS   3           HE1      HIS   3   0.864  -1.766   0.639
   28    HE2  HIS   3           HE2      HIS   3  -1.200  -2.317   2.032
   29    H    ARG   4           H        ARG   4  -1.181   2.431   0.565
   30    HA   ARG   4           HA       ARG   4  -3.505   2.998   2.277
   31    HB2  ARG   4           HB2      ARG   4  -0.533   3.073   2.896
   32    HB3  ARG   4           HB3      ARG   4  -1.854   3.227   4.066
   33    HG2  ARG   4           HG2      ARG   4  -2.666   0.942   3.340
   34    HG3  ARG   4           HG3      ARG   4  -1.172   0.783   2.389
   35    HD2  ARG   4           HD2      ARG   4  -1.358   1.230   5.395
   36    HD3  ARG   4           HD3      ARG   4  -0.982  -0.303   4.600
   37    HE   ARG   4           HE       ARG   4   1.120   0.615   3.826
   38   HH11  ARG   4          HH11      ARG   4  -0.573   2.626   6.199
   39   HH12  ARG   4          HH12      ARG   4   0.885   3.470   6.680
   40   HH21  ARG   4          HH21      ARG   4   2.987   1.727   4.487
   41   HH22  ARG   4          HH22      ARG   4   2.873   2.965   5.711
   42    H    LEU   5           H        LEU   5  -1.952   4.733  -0.056
   43    HA   LEU   5           HA       LEU   5  -1.172   7.144   1.219
   44    HB2  LEU   5           HB2      LEU   5  -0.638   6.519  -1.124
   45    HB3  LEU   5           HB3      LEU   5  -2.355   6.655  -1.543
   46    HG   LEU   5           HG       LEU   5  -2.242   9.097  -0.810
   47   HD11  LEU   5          HD11      LEU   5   0.736   8.434  -0.851
   48   HD12  LEU   5          HD12      LEU   5   0.059  10.082  -0.844
   49   HD13  LEU   5          HD13      LEU   5  -0.200   9.013   0.549
   50   HD21  LEU   5          HD21      LEU   5  -2.215   8.389  -3.164
   51   HD22  LEU   5          HD22      LEU   5  -1.170   9.806  -2.903
   52   HD23  LEU   5          HD23      LEU   5  -0.445   8.196  -3.093
   53    H    SER   6           H        SER   6  -4.365   5.946   0.203
   54    HA   SER   6           HA       SER   6  -5.761   8.418   0.438
   55    HB2  SER   6           HB2      SER   6  -6.654   6.466  -0.739
   56    HB3  SER   6           HB3      SER   6  -6.699   5.547   0.786
   57    HG   SER   6           HG       SER   6  -8.725   6.473   0.233
   58    H    HIS   7           H        HIS   7  -4.610   6.116   2.874
   59    HA   HIS   7           HA       HIS   7  -6.387   7.099   4.952
   60    HB2  HIS   7           HB2      HIS   7  -3.827   5.466   5.123
   61    HB3  HIS   7           HB3      HIS   7  -4.973   5.730   6.435
   62    HD2  HIS   7           HD2      HIS   7  -6.676   3.832   6.749
   63    HE1  HIS   7           HE1      HIS   7  -6.753   2.237   2.805
   64    HE2  HIS   7           HE2      HIS   7  -7.656   1.979   5.175
   65    H    LEU   8           H        LEU   8  -3.036   7.775   3.857
   66    HA   LEU   8           HA       LEU   8  -2.358   9.435   6.118
   67    HB2  LEU   8           HB2      LEU   8  -1.251   9.044   3.313
   68    HB3  LEU   8           HB3      LEU   8  -0.668  10.344   4.360
   69    HG   LEU   8           HG       LEU   8  -0.132   8.638   6.131
   70   HD11  LEU   8          HD11      LEU   8  -0.640   6.688   3.845
   71   HD12  LEU   8          HD12      LEU   8   0.166   6.297   5.382
   72   HD13  LEU   8          HD13      LEU   8  -1.542   6.762   5.382
   73   HD21  LEU   8          HD21      LEU   8   1.553   9.608   4.613
   74   HD22  LEU   8          HD22      LEU   8   1.925   7.903   4.959
   75   HD23  LEU   8          HD23      LEU   8   1.193   8.362   3.400
   76    H    HIS   9           H        HIS   9  -3.563  10.125   2.783
   77    HA   HIS   9           HA       HIS   9  -3.616  12.960   3.262
   78    HB2  HIS   9           HB2      HIS   9  -4.727  11.156   1.099
   79    HB3  HIS   9           HB3      HIS   9  -5.028  12.899   1.115
   80    HD2  HIS   9           HD2      HIS   9  -3.463  14.048  -0.541
   81    HE1  HIS   9           HE1      HIS   9   0.138  11.928   0.234
   82    HE2  HIS   9           HE2      HIS   9  -0.917  13.813  -1.116
   83    H    SER  10           H        SER  10  -5.761  10.414   4.227
   84    HA   SER  10           HA       SER  10  -8.094  12.170   4.453
   85    HB2  SER  10           HB2      SER  10  -8.420   9.799   4.078
   86    HB3  SER  10           HB3      SER  10  -7.479   9.396   5.534
   87    HG   SER  10           HG       SER  10  -9.753   9.389   5.886
   88    H    ARG  11           H        ARG  11  -5.444  10.963   6.537
   89    HA   ARG  11           HA       ARG  11  -6.517  12.263   8.921
   90    HB2  ARG  11           HB2      ARG  11  -3.865  10.920   8.281
   91    HB3  ARG  11           HB3      ARG  11  -4.298  11.547   9.882
   92    HG2  ARG  11           HG2      ARG  11  -5.836   9.380   8.377
   93    HG3  ARG  11           HG3      ARG  11  -4.681   9.101   9.689
   94    HD2  ARG  11           HD2      ARG  11  -6.086  10.479  11.207
   95    HD3  ARG  11           HD3      ARG  11  -7.276  10.677   9.905
   96    HE   ARG  11           HE       ARG  11  -6.499   8.016  11.041
   97   HH11  ARG  11          HH11      ARG  11  -8.995  10.276   9.937
   98   HH12  ARG  11          HH12      ARG  11 -10.291   9.126  10.182
   99   HH21  ARG  11          HH21      ARG  11  -8.208   6.559  11.346
  100   HH22  ARG  11          HH22      ARG  11  -9.848   7.046  10.989
  101    H    LEU  12           H        LEU  12  -4.784  13.325   6.172
  102    HA   LEU  12           HA       LEU  12  -3.222  15.402   7.415
  103    HB2  LEU  12           HB2      LEU  12  -2.731  14.521   5.173
  104    HB3  LEU  12           HB3      LEU  12  -4.347  14.994   4.618
  105    HG   LEU  12           HG       LEU  12  -3.740  17.405   5.045
  106   HD11  LEU  12          HD11      LEU  12  -0.955  16.199   5.376
  107   HD12  LEU  12          HD12      LEU  12  -1.324  17.932   5.238
  108   HD13  LEU  12          HD13      LEU  12  -1.885  17.021   6.654
  109   HD21  LEU  12          HD21      LEU  12  -1.997  15.841   3.113
  110   HD22  LEU  12          HD22      LEU  12  -3.667  16.391   2.829
  111   HD23  LEU  12          HD23      LEU  12  -2.357  17.583   3.027
  112    H    GLN  13           H        GLN  13  -6.615  15.056   6.541
  113    HA   GLN  13           HA       GLN  13  -7.172  17.821   6.136
  114    HB2  GLN  13           HB2      GLN  13  -9.016  15.526   6.912
  115    HB3  GLN  13           HB3      GLN  13  -9.536  17.113   6.306
  116    HG2  GLN  13           HG2      GLN  13  -8.291  16.704   4.192
  117    HG3  GLN  13           HG3      GLN  13  -7.799  15.111   4.791
  118   HE21  GLN  13          HE21      GLN  13  -8.973  14.798   2.521
  119   HE22  GLN  13          HE22      GLN  13 -10.661  14.358   2.647
  120    H    ASP  14           H        ASP  14  -8.599  19.165   7.499
  121    HA   ASP  14           HA       ASP  14  -8.581  18.524  10.356
  122    HB2  ASP  14           HB2      ASP  14  -7.685  20.816  10.913
  123    HB3  ASP  14           HB3      ASP  14  -6.539  19.629  10.302
  124    HN1  NH2  15           HN1      NH2  15 -10.501  19.236   7.926
  125    HN2  NH2  15           HN2      NH2  15 -11.667  20.269   8.729
  Start of MODEL   16
    1    H1   TRP   1           H1       TRP   1   3.912   1.091  -1.333
    2    H2   TRP   1           H2       TRP   1   2.803  -0.105  -1.578
    3    H3   TRP   1           H3       TRP   1   4.059  -0.344  -0.546
    4    HA   TRP   1           HA       TRP   1   2.064   0.023   0.695
    5    HB2  TRP   1           HB2      TRP   1   2.882   1.712   2.160
    6    HB3  TRP   1           HB3      TRP   1   4.278   0.830   1.552
    7    HD1  TRP   1           HD1      TRP   1   5.997   2.176   0.035
    8    HE1  TRP   1           HE1      TRP   1   6.380   4.653  -0.430
    9    HE3  TRP   1           HE3      TRP   1   1.590   4.020   1.850
   10    HZ2  TRP   1           HZ2      TRP   1   4.952   7.146  -0.058
   11    HZ3  TRP   1           HZ3      TRP   1   1.114   6.446   1.754
   12    HH2  TRP   1           HH2      TRP   1   2.776   8.015   0.804
   13    H    TYR   2           H        TYR   2   2.307   1.910  -2.159
   14    HA   TYR   2           HA       TYR   2   0.953   4.212  -1.355
   15    HB2  TYR   2           HB2      TYR   2   1.466   3.018  -4.036
   16    HB3  TYR   2           HB3      TYR   2   0.444   4.445  -3.856
   17    HD1  TYR   2           HD1      TYR   2   3.830   3.295  -4.085
   18    HD2  TYR   2           HD2      TYR   2   1.354   6.472  -2.570
   19    HE1  TYR   2           HE1      TYR   2   5.818   4.779  -3.959
   20    HE2  TYR   2           HE2      TYR   2   3.330   7.967  -2.461
   21    HH   TYR   2           HH       TYR   2   5.578   8.161  -2.798
   22    H    HIS   3           H        HIS   3  -0.559   1.198  -1.538
   23    HA   HIS   3           HA       HIS   3  -3.172   2.173  -2.324
   24    HB2  HIS   3           HB2      HIS   3  -3.932   0.021  -1.337
   25    HB3  HIS   3           HB3      HIS   3  -2.643  -0.170  -2.534
   26    HD2  HIS   3           HD2      HIS   3  -3.585  -1.297   0.856
   27    HE1  HIS   3           HE1      HIS   3   0.632  -1.859   0.710
   28    HE2  HIS   3           HE2      HIS   3  -1.509  -2.412   1.993
   29    H    ARG   4           H        ARG   4  -1.238   2.402   0.548
   30    HA   ARG   4           HA       ARG   4  -3.546   3.002   2.273
   31    HB2  ARG   4           HB2      ARG   4  -0.560   2.934   2.850
   32    HB3  ARG   4           HB3      ARG   4  -1.842   3.224   4.042
   33    HG2  ARG   4           HG2      ARG   4  -2.822   1.003   3.520
   34    HG3  ARG   4           HG3      ARG   4  -1.486   0.697   2.374
   35    HD2  ARG   4           HD2      ARG   4   0.143   0.969   4.207
   36    HD3  ARG   4           HD3      ARG   4  -1.175   1.265   5.350
   37    HE   ARG   4           HE       ARG   4  -2.001  -1.057   4.744
   38   HH11  ARG   4          HH11      ARG   4   1.431  -0.222   4.512
   39   HH12  ARG   4          HH12      ARG   4   1.963  -1.878   4.691
   40   HH21  ARG   4          HH21      ARG   4  -1.273  -3.200   5.001
   41   HH22  ARG   4          HH22      ARG   4   0.442  -3.547   4.985
   42    H    LEU   5           H        LEU   5  -1.917   4.719  -0.056
   43    HA   LEU   5           HA       LEU   5  -1.114   7.104   1.235
   44    HB2  LEU   5           HB2      LEU   5  -0.569   6.496  -1.091
   45    HB3  LEU   5           HB3      LEU   5  -2.281   6.652  -1.529
   46    HG   LEU   5           HG       LEU   5  -2.146   9.084  -0.778
   47   HD11  LEU   5          HD11      LEU   5   0.827   8.406  -0.836
   48   HD12  LEU   5          HD12      LEU   5   0.154  10.055  -0.805
   49   HD13  LEU   5          HD13      LEU   5  -0.104   8.965   0.576
   50   HD21  LEU   5          HD21      LEU   5  -1.086   9.800  -2.858
   51   HD22  LEU   5          HD22      LEU   5  -0.360   8.186  -3.072
   52   HD23  LEU   5          HD23      LEU   5  -2.126   8.379  -3.131
   53    H    SER   6           H        SER   6  -4.332   5.981   0.201
   54    HA   SER   6           HA       SER   6  -5.673   8.483   0.436
   55    HB2  SER   6           HB2      SER   6  -6.608   6.577  -0.774
   56    HB3  SER   6           HB3      SER   6  -6.676   5.625   0.720
   57    HG   SER   6           HG       SER   6  -8.090   8.024   0.167
   58    H    HIS   7           H        HIS   7  -4.600   6.130   2.868
   59    HA   HIS   7           HA       HIS   7  -6.387   7.107   4.937
   60    HB2  HIS   7           HB2      HIS   7  -3.861   5.421   5.088
   61    HB3  HIS   7           HB3      HIS   7  -5.009   5.696   6.401
   62    HD2  HIS   7           HD2      HIS   7  -6.763   3.838   6.676
   63    HE1  HIS   7           HE1      HIS   7  -6.867   2.302   2.714
   64    HE2  HIS   7           HE2      HIS   7  -7.774   2.024   5.074
   65    H    LEU   8           H        LEU   8  -3.037   7.778   3.858
   66    HA   LEU   8           HA       LEU   8  -2.350   9.420   6.139
   67    HB2  LEU   8           HB2      LEU   8  -1.259   9.056   3.324
   68    HB3  LEU   8           HB3      LEU   8  -0.655  10.328   4.392
   69    HG   LEU   8           HG       LEU   8  -0.092   8.610   6.116
   70   HD11  LEU   8          HD11      LEU   8  -0.677   6.689   3.823
   71   HD12  LEU   8          HD12      LEU   8   0.156   6.264   5.338
   72   HD13  LEU   8          HD13      LEU   8  -1.545   6.756   5.380
   73   HD21  LEU   8          HD21      LEU   8   1.544   9.587   4.567
   74   HD22  LEU   8          HD22      LEU   8   1.932   7.881   4.898
   75   HD23  LEU   8          HD23      LEU   8   1.167   8.340   3.358
   76    H    HIS   9           H        HIS   9  -3.553  10.106   2.805
   77    HA   HIS   9           HA       HIS   9  -3.632  12.939   3.274
   78    HB2  HIS   9           HB2      HIS   9  -4.711  11.124   1.104
   79    HB3  HIS   9           HB3      HIS   9  -5.014  12.867   1.116
   80    HD2  HIS   9           HD2      HIS   9  -3.420  14.004  -0.537
   81    HE1  HIS   9           HE1      HIS   9   0.172  11.894   0.314
   82    HE2  HIS   9           HE2      HIS   9  -0.862  13.772  -1.062
   83    H    SER  10           H        SER  10  -5.754  10.388   4.245
   84    HA   SER  10           HA       SER  10  -8.093  12.143   4.476
   85    HB2  SER  10           HB2      SER  10  -8.396   9.747   4.095
   86    HB3  SER  10           HB3      SER  10  -7.486   9.367   5.574
   87    HG   SER  10           HG       SER  10  -9.098  10.359   6.773
   88    H    ARG  11           H        ARG  11  -5.373  11.037   6.498
   89    HA   ARG  11           HA       ARG  11  -6.464  12.243   8.925
   90    HB2  ARG  11           HB2      ARG  11  -3.779  11.016   8.197
   91    HB3  ARG  11           HB3      ARG  11  -4.165  11.666   9.804
   92    HG2  ARG  11           HG2      ARG  11  -6.024  10.093  10.048
   93    HG3  ARG  11           HG3      ARG  11  -5.757   9.467   8.417
   94    HD2  ARG  11           HD2      ARG  11  -4.752   7.958  10.051
   95    HD3  ARG  11           HD3      ARG  11  -3.487   8.713   9.076
   96    HE   ARG  11           HE       ARG  11  -2.730   9.891  10.953
   97   HH11  ARG  11          HH11      ARG  11  -5.751   8.202  11.716
   98   HH12  ARG  11          HH12      ARG  11  -5.579   8.460  13.438
   99   HH21  ARG  11          HH21      ARG  11  -2.545  10.191  13.197
  100   HH22  ARG  11          HH22      ARG  11  -3.778   9.576  14.269
  101    H    LEU  12           H        LEU  12  -4.665  13.335   6.180
  102    HA   LEU  12           HA       LEU  12  -3.218  15.490   7.383
  103    HB2  LEU  12           HB2      LEU  12  -2.719  14.590   5.148
  104    HB3  LEU  12           HB3      LEU  12  -4.346  15.017   4.601
  105    HG   LEU  12           HG       LEU  12  -3.810  17.443   4.985
  106   HD11  LEU  12          HD11      LEU  12  -0.992  16.330   5.354
  107   HD12  LEU  12          HD12      LEU  12  -1.416  18.054   5.176
  108   HD13  LEU  12          HD13      LEU  12  -1.951  17.151   6.605
  109   HD21  LEU  12          HD21      LEU  12  -2.434  17.626   2.963
  110   HD22  LEU  12          HD22      LEU  12  -2.025  15.893   3.078
  111   HD23  LEU  12          HD23      LEU  12  -3.708  16.404   2.782
  112    H    GLN  13           H        GLN  13  -6.601  15.021   6.611
  113    HA   GLN  13           HA       GLN  13  -7.241  17.758   6.131
  114    HB2  GLN  13           HB2      GLN  13  -9.052  15.483   7.049
  115    HB3  GLN  13           HB3      GLN  13  -9.566  16.988   6.263
  116    HG2  GLN  13           HG2      GLN  13  -7.865  14.776   5.040
  117    HG3  GLN  13           HG3      GLN  13  -9.534  15.155   4.628
  118   HE21  GLN  13          HE21      GLN  13  -7.155  15.101   2.874
  119   HE22  GLN  13          HE22      GLN  13  -7.066  16.701   2.157
  120    H    ASP  14           H        ASP  14  -6.329  16.225   9.003
  121    HA   ASP  14           HA       ASP  14  -8.107  17.602  10.848
  122    HB2  ASP  14           HB2      ASP  14  -6.878  15.405  11.214
  123    HB3  ASP  14           HB3      ASP  14  -5.373  16.323  11.312
  124    HN1  NH2  15           HN1      NH2  15  -5.452  18.571   8.873
  125    HN2  NH2  15           HN2      NH2  15  -5.002  20.010   9.759
  Start of MODEL   17
    1    H1   TRP   1           H1       TRP   1   3.876   1.136  -1.425
    2    H2   TRP   1           H2       TRP   1   2.763  -0.057  -1.670
    3    H3   TRP   1           H3       TRP   1   4.024  -0.310  -0.652
    4    HA   TRP   1           HA       TRP   1   2.045   0.060   0.615
    5    HB2  TRP   1           HB2      TRP   1   2.869   1.749   2.070
    6    HB3  TRP   1           HB3      TRP   1   4.251   0.850   1.469
    7    HD1  TRP   1           HD1      TRP   1   5.993   2.166  -0.048
    8    HE1  TRP   1           HE1      TRP   1   6.411   4.628  -0.536
    9    HE3  TRP   1           HE3      TRP   1   1.612   4.079   1.750
   10    HZ2  TRP   1           HZ2      TRP   1   5.004   7.144  -0.202
   11    HZ3  TRP   1           HZ3      TRP   1   1.168   6.512   1.631
   12    HH2  TRP   1           HH2      TRP   1   2.854   8.052   0.661
   13    H    TYR   2           H        TYR   2   2.258   1.951  -2.239
   14    HA   TYR   2           HA       TYR   2   0.903   4.251  -1.444
   15    HB2  TYR   2           HB2      TYR   2   1.333   3.014  -4.125
   16    HB3  TYR   2           HB3      TYR   2   0.341   4.451  -3.929
   17    HD1  TYR   2           HD1      TYR   2   3.691   3.276  -4.306
   18    HD2  TYR   2           HD2      TYR   2   1.325   6.455  -2.632
   19    HE1  TYR   2           HE1      TYR   2   5.692   4.740  -4.270
   20    HE2  TYR   2           HE2      TYR   2   3.325   7.928  -2.597
   21    HH   TYR   2           HH       TYR   2   6.517   6.802  -3.778
   22    H    HIS   3           H        HIS   3  -0.595   1.212  -1.593
   23    HA   HIS   3           HA       HIS   3  -3.231   2.164  -2.314
   24    HB2  HIS   3           HB2      HIS   3  -3.950   0.003  -1.324
   25    HB3  HIS   3           HB3      HIS   3  -2.671  -0.177  -2.529
   26    HD2  HIS   3           HD2      HIS   3  -3.562  -1.320   0.861
   27    HE1  HIS   3           HE1      HIS   3   0.661  -1.789   0.700
   28    HE2  HIS   3           HE2      HIS   3  -1.448  -2.385   1.989
   29    H    ARG   4           H        ARG   4  -1.245   2.395   0.510
   30    HA   ARG   4           HA       ARG   4  -3.511   2.984   2.295
   31    HB2  ARG   4           HB2      ARG   4  -0.506   2.974   2.780
   32    HB3  ARG   4           HB3      ARG   4  -1.760   3.210   4.016
   33    HG2  ARG   4           HG2      ARG   4  -2.681   0.957   3.498
   34    HG3  ARG   4           HG3      ARG   4  -1.390   0.722   2.300
   35    HD2  ARG   4           HD2      ARG   4  -0.777  -0.373   4.384
   36    HD3  ARG   4           HD3      ARG   4   0.309   0.985   4.071
   37    HE   ARG   4           HE       ARG   4  -2.000   1.054   5.994
   38   HH11  ARG   4          HH11      ARG   4   1.306   2.005   5.119
   39   HH12  ARG   4          HH12      ARG   4   1.543   2.914   6.592
   40   HH21  ARG   4          HH21      ARG   4  -1.636   2.237   7.903
   41   HH22  ARG   4          HH22      ARG   4  -0.105   3.035   8.156
   42    H    LEU   5           H        LEU   5  -1.940   4.717  -0.067
   43    HA   LEU   5           HA       LEU   5  -1.117   7.096   1.223
   44    HB2  LEU   5           HB2      LEU   5  -0.604   6.471  -1.119
   45    HB3  LEU   5           HB3      LEU   5  -2.318   6.650  -1.535
   46    HG   LEU   5           HG       LEU   5  -2.130   9.088  -0.763
   47   HD11  LEU   5          HD11      LEU   5   0.825   8.354  -0.911
   48   HD12  LEU   5          HD12      LEU   5   0.187  10.012  -0.827
   49   HD13  LEU   5          HD13      LEU   5  -0.056   8.901   0.539
   50   HD21  LEU   5          HD21      LEU   5  -0.438   8.129  -3.101
   51   HD22  LEU   5          HD22      LEU   5  -2.193   8.417  -3.118
   52   HD23  LEU   5          HD23      LEU   5  -1.079   9.781  -2.876
   53    H    SER   6           H        SER   6  -4.340   5.968   0.213
   54    HA   SER   6           HA       SER   6  -5.677   8.473   0.472
   55    HB2  SER   6           HB2      SER   6  -6.609   6.529  -0.741
   56    HB3  SER   6           HB3      SER   6  -6.686   5.613   0.777
   57    HG   SER   6           HG       SER   6  -8.087   7.997   0.154
   58    H    HIS   7           H        HIS   7  -4.592   6.108   2.879
   59    HA   HIS   7           HA       HIS   7  -6.365   7.073   4.963
   60    HB2  HIS   7           HB2      HIS   7  -3.828   5.405   5.101
   61    HB3  HIS   7           HB3      HIS   7  -4.961   5.677   6.425
   62    HD2  HIS   7           HD2      HIS   7  -6.703   3.802   6.718
   63    HE1  HIS   7           HE1      HIS   7  -6.824   2.271   2.752
   64    HE2  HIS   7           HE2      HIS   7  -7.713   1.984   5.124
   65    H    LEU   8           H        LEU   8  -3.024   7.757   3.872
   66    HA   LEU   8           HA       LEU   8  -2.340   9.396   6.163
   67    HB2  LEU   8           HB2      LEU   8  -1.211   8.981   3.369
   68    HB3  LEU   8           HB3      LEU   8  -0.622  10.275   4.427
   69    HG   LEU   8           HG       LEU   8  -0.122   8.577   6.191
   70   HD11  LEU   8          HD11      LEU   8  -0.636   6.617   3.910
   71   HD12  LEU   8          HD12      LEU   8   0.141   6.213   5.456
   72   HD13  LEU   8          HD13      LEU   8  -1.563   6.702   5.434
   73   HD21  LEU   8          HD21      LEU   8   1.570   9.507   4.661
   74   HD22  LEU   8          HD22      LEU   8   1.937   7.808   5.034
   75   HD23  LEU   8          HD23      LEU   8   1.208   8.235   3.469
   76    H    HIS   9           H        HIS   9  -3.521  10.057   2.815
   77    HA   HIS   9           HA       HIS   9  -3.552  12.900   3.245
   78    HB2  HIS   9           HB2      HIS   9  -4.639  11.064   1.100
   79    HB3  HIS   9           HB3      HIS   9  -4.956  12.806   1.091
   80    HD2  HIS   9           HD2      HIS   9  -3.378  13.929  -0.595
   81    HE1  HIS   9           HE1      HIS   9   0.233  11.867   0.276
   82    HE2  HIS   9           HE2      HIS   9  -0.821  13.711  -1.125
   83    H    SER  10           H        SER  10  -5.747  10.388   4.204
   84    HA   SER  10           HA       SER  10  -8.057  12.171   4.398
   85    HB2  SER  10           HB2      SER  10  -8.410   9.786   4.068
   86    HB3  SER  10           HB3      SER  10  -7.462   9.408   5.515
   87    HG   SER  10           HG       SER  10  -9.916  10.835   5.401
   88    H    ARG  11           H        ARG  11  -5.436  10.983   6.516
   89    HA   ARG  11           HA       ARG  11  -6.500  12.260   8.896
   90    HB2  ARG  11           HB2      ARG  11  -3.815  11.016   8.203
   91    HB3  ARG  11           HB3      ARG  11  -4.216  11.669   9.802
   92    HG2  ARG  11           HG2      ARG  11  -6.092  10.103  10.025
   93    HG3  ARG  11           HG3      ARG  11  -5.803   9.477   8.395
   94    HD2  ARG  11           HD2      ARG  11  -3.542   8.730   9.082
   95    HD3  ARG  11           HD3      ARG  11  -3.828   9.347  10.714
   96    HE   ARG  11           HE       ARG  11  -5.030   6.950   9.462
   97   HH11  ARG  11          HH11      ARG  11  -4.957   9.142  12.234
   98   HH12  ARG  11          HH12      ARG  11  -5.761   8.006  13.298
   99   HH21  ARG  11          HH21      ARG  11  -6.049   5.485  10.880
  100   HH22  ARG  11          HH22      ARG  11  -6.376   5.949  12.534
  101    H    LEU  12           H        LEU  12  -4.723  13.358   6.153
  102    HA   LEU  12           HA       LEU  12  -3.249  15.495   7.335
  103    HB2  LEU  12           HB2      LEU  12  -2.808  14.636   5.092
  104    HB3  LEU  12           HB3      LEU  12  -4.450  15.073   4.578
  105    HG   LEU  12           HG       LEU  12  -3.890  17.495   4.993
  106   HD11  LEU  12          HD11      LEU  12  -2.003  17.173   6.563
  107   HD12  LEU  12          HD12      LEU  12  -1.071  16.359   5.278
  108   HD13  LEU  12          HD13      LEU  12  -1.487  18.083   5.132
  109   HD21  LEU  12          HD21      LEU  12  -3.848  16.518   2.772
  110   HD22  LEU  12          HD22      LEU  12  -2.556  17.719   2.951
  111   HD23  LEU  12          HD23      LEU  12  -2.164  15.981   3.011
  112    H    GLN  13           H        GLN  13  -6.665  15.068   6.593
  113    HA   GLN  13           HA       GLN  13  -7.308  17.817   6.224
  114    HB2  GLN  13           HB2      GLN  13  -9.033  15.451   7.060
  115    HB3  GLN  13           HB3      GLN  13  -9.652  17.020   6.517
  116    HG2  GLN  13           HG2      GLN  13  -8.608  16.724   4.328
  117    HG3  GLN  13           HG3      GLN  13  -7.854  15.204   4.847
  118   HE21  GLN  13          HE21      GLN  13 -11.178  16.106   5.786
  119   HE22  GLN  13          HE22      GLN  13 -11.967  14.886   4.812
  120    H    ASP  14           H        ASP  14  -6.351  16.183   9.051
  121    HA   ASP  14           HA       ASP  14  -8.069  17.514  10.965
  122    HB2  ASP  14           HB2      ASP  14  -6.795  15.336  11.261
  123    HB3  ASP  14           HB3      ASP  14  -5.301  16.281  11.332
  124    HN1  NH2  15           HN1      NH2  15  -5.463  18.552   8.951
  125    HN2  NH2  15           HN2      NH2  15  -4.990  19.973   9.863
  Start of MODEL   18
    1    H1   TRP   1           H1       TRP   1   3.133   1.992  -2.894
    2    H2   TRP   1           H2       TRP   1   4.427   2.152  -1.898
    3    H3   TRP   1           H3       TRP   1   3.596   3.486  -2.366
    4    HA   TRP   1           HA       TRP   1   2.555   1.302  -0.699
    5    HB2  TRP   1           HB2      TRP   1   2.931   2.587   1.161
    6    HB3  TRP   1           HB3      TRP   1   4.301   3.116   0.185
    7    HD1  TRP   1           HD1      TRP   1   1.262   4.323   1.933
    8    HE1  TRP   1           HE1      TRP   1   0.879   6.826   1.590
    9    HE3  TRP   1           HE3      TRP   1   4.653   5.111  -1.769
   10    HZ2  TRP   1           HZ2      TRP   1   1.753   8.872  -0.295
   11    HZ3  TRP   1           HZ3      TRP   1   4.868   7.358  -2.821
   12    HH2  TRP   1           HH2      TRP   1   3.388   9.228  -2.086
   13    H    TYR   2           H        TYR   2   1.596   2.980  -3.256
   14    HA   TYR   2           HA       TYR   2  -0.152   4.926  -2.332
   15    HB2  TYR   2           HB2      TYR   2   0.018   3.568  -4.994
   16    HB3  TYR   2           HB3      TYR   2  -1.173   4.814  -4.645
   17    HD1  TYR   2           HD1      TYR   2   1.837   4.452  -6.205
   18    HD2  TYR   2           HD2      TYR   2  -0.004   6.857  -3.157
   19    HE1  TYR   2           HE1      TYR   2   3.484   6.255  -6.636
   20    HE2  TYR   2           HE2      TYR   2   1.655   8.650  -3.544
   21    HH   TYR   2           HH       TYR   2   4.210   8.353  -6.052
   22    H    HIS   3           H        HIS   3  -0.861   1.617  -2.051
   23    HA   HIS   3           HA       HIS   3  -3.753   1.938  -2.185
   24    HB2  HIS   3           HB2      HIS   3  -3.755  -0.279  -1.105
   25    HB3  HIS   3           HB3      HIS   3  -2.722  -0.236  -2.540
   26    HD2  HIS   3           HD2      HIS   3  -2.697  -1.502   0.889
   27    HE1  HIS   3           HE1      HIS   3   1.427  -0.843   0.058
   28    HE2  HIS   3           HE2      HIS   3  -0.233  -1.962   1.645
   29    H    ARG   4           H        ARG   4  -1.315   2.855   0.044
   30    HA   ARG   4           HA       ARG   4  -3.339   3.212   2.186
   31    HB2  ARG   4           HB2      ARG   4  -0.317   2.960   2.413
   32    HB3  ARG   4           HB3      ARG   4  -1.431   3.327   3.751
   33    HG2  ARG   4           HG2      ARG   4  -2.611   1.166   3.321
   34    HG3  ARG   4           HG3      ARG   4  -1.433   0.809   2.039
   35    HD2  ARG   4           HD2      ARG   4  -0.766  -0.333   4.085
   36    HD3  ARG   4           HD3      ARG   4   0.408   0.932   3.699
   37    HE   ARG   4           HE       ARG   4  -0.240   2.131   5.601
   38   HH11  ARG   4          HH11      ARG   4  -2.456  -0.591   5.083
   39   HH12  ARG   4          HH12      ARG   4  -3.210  -0.410   6.648
   40   HH21  ARG   4          HH21      ARG   4  -1.245   2.331   7.617
   41   HH22  ARG   4          HH22      ARG   4  -2.535   1.236   8.074
   42    H    LEU   5           H        LEU   5  -1.881   4.954  -0.251
   43    HA   LEU   5           HA       LEU   5  -1.023   7.329   1.069
   44    HB2  LEU   5           HB2      LEU   5  -0.467   7.130  -1.155
   45    HB3  LEU   5           HB3      LEU   5  -2.099   6.670  -1.670
   46    HG   LEU   5           HG       LEU   5  -1.767   9.404  -0.469
   47   HD11  LEU   5          HD11      LEU   5  -0.941   8.768  -3.322
   48   HD12  LEU   5          HD12      LEU   5  -1.038  10.369  -2.563
   49   HD13  LEU   5          HD13      LEU   5   0.175   9.202  -2.001
   50   HD21  LEU   5          HD21      LEU   5  -3.987   8.562  -1.287
   51   HD22  LEU   5          HD22      LEU   5  -3.414   9.923  -2.276
   52   HD23  LEU   5          HD23      LEU   5  -3.261   8.252  -2.877
   53    H    SER   6           H        SER   6  -4.259   6.046   0.328
   54    HA   SER   6           HA       SER   6  -5.674   8.495   0.847
   55    HB2  SER   6           HB2      SER   6  -6.610   6.655  -0.478
   56    HB3  SER   6           HB3      SER   6  -6.563   5.583   0.939
   57    HG   SER   6           HG       SER   6  -8.618   6.545   0.621
   58    H    HIS   7           H        HIS   7  -4.425   5.893   2.921
   59    HA   HIS   7           HA       HIS   7  -6.084   6.522   5.185
   60    HB2  HIS   7           HB2      HIS   7  -3.417   5.079   5.001
   61    HB3  HIS   7           HB3      HIS   7  -4.488   5.097   6.409
   62    HD2  HIS   7           HD2      HIS   7  -5.900   2.963   6.591
   63    HE1  HIS   7           HE1      HIS   7  -6.326   1.986   2.470
   64    HE2  HIS   7           HE2      HIS   7  -6.898   1.272   4.856
   65    H    LEU   8           H        LEU   8  -3.064   7.821   3.900
   66    HA   LEU   8           HA       LEU   8  -2.481   9.306   6.389
   67    HB2  LEU   8           HB2      LEU   8  -1.150   8.963   3.684
   68    HB3  LEU   8           HB3      LEU   8  -0.704  10.291   4.752
   69    HG   LEU   8           HG       LEU   8  -0.172   8.693   6.567
   70   HD11  LEU   8          HD11      LEU   8  -0.608   6.589   4.401
   71   HD12  LEU   8          HD12      LEU   8   0.175   6.303   5.970
   72   HD13  LEU   8          HD13      LEU   8  -1.539   6.751   5.916
   73   HD21  LEU   8          HD21      LEU   8   1.543   9.571   5.023
   74   HD22  LEU   8          HD22      LEU   8   1.921   7.906   5.515
   75   HD23  LEU   8          HD23      LEU   8   1.234   8.227   3.902
   76    H    HIS   9           H        HIS   9  -3.542   9.975   2.991
   77    HA   HIS   9           HA       HIS   9  -3.549  12.813   3.406
   78    HB2  HIS   9           HB2      HIS   9  -4.581  10.962   1.253
   79    HB3  HIS   9           HB3      HIS   9  -4.990  12.681   1.249
   80    HD2  HIS   9           HD2      HIS   9  -3.462  13.994  -0.317
   81    HE1  HIS   9           HE1      HIS   9   0.215  11.965   0.326
   82    HE2  HIS   9           HE2      HIS   9  -0.922  13.872  -0.919
   83    H    SER  10           H        SER  10  -5.951  10.325   4.111
   84    HA   SER  10           HA       SER  10  -8.134  12.250   4.270
   85    HB2  SER  10           HB2      SER  10  -9.385  10.368   5.245
   86    HB3  SER  10           HB3      SER  10  -8.586   9.900   3.735
   87    HG   SER  10           HG       SER  10  -7.152   8.742   4.819
   88    H    ARG  11           H        ARG  11  -5.481  11.314   6.301
   89    HA   ARG  11           HA       ARG  11  -6.811  12.357   8.734
   90    HB2  ARG  11           HB2      ARG  11  -4.152  10.937   8.296
   91    HB3  ARG  11           HB3      ARG  11  -4.738  11.523   9.865
   92    HG2  ARG  11           HG2      ARG  11  -6.742  10.089   9.676
   93    HG3  ARG  11           HG3      ARG  11  -6.172   9.488   8.105
   94    HD2  ARG  11           HD2      ARG  11  -4.102   8.646   9.197
   95    HD3  ARG  11           HD3      ARG  11  -4.716   9.198  10.767
   96    HE   ARG  11           HE       ARG  11  -5.765   6.956   9.111
   97   HH11  ARG  11          HH11      ARG  11  -5.875   8.784  12.140
   98   HH12  ARG  11          HH12      ARG  11  -6.815   7.559  12.970
   99   HH21  ARG  11          HH21      ARG  11  -6.972   5.395  10.219
  100   HH22  ARG  11          HH22      ARG  11  -7.434   5.655  11.889
  101    H    LEU  12           H        LEU  12  -4.850  13.420   6.164
  102    HA   LEU  12           HA       LEU  12  -3.281  15.402   7.580
  103    HB2  LEU  12           HB2      LEU  12  -2.601  14.473   5.409
  104    HB3  LEU  12           HB3      LEU  12  -4.121  15.011   4.680
  105    HG   LEU  12           HG       LEU  12  -3.452  17.396   5.146
  106   HD11  LEU  12          HD11      LEU  12  -0.780  16.078   5.812
  107   HD12  LEU  12          HD12      LEU  12  -1.061  17.826   5.595
  108   HD13  LEU  12          HD13      LEU  12  -1.812  16.963   6.954
  109   HD21  LEU  12          HD21      LEU  12  -3.178  16.353   2.956
  110   HD22  LEU  12          HD22      LEU  12  -1.853  17.482   3.287
  111   HD23  LEU  12          HD23      LEU  12  -1.578  15.725   3.433
  112    H    GLN  13           H        GLN  13  -6.571  15.206   6.413
  113    HA   GLN  13           HA       GLN  13  -6.973  17.960   5.846
  114    HB2  GLN  13           HB2      GLN  13  -9.034  15.884   6.694
  115    HB3  GLN  13           HB3      GLN  13  -9.345  17.373   5.792
  116    HG2  GLN  13           HG2      GLN  13  -7.733  14.963   4.855
  117    HG3  GLN  13           HG3      GLN  13  -9.322  15.458   4.268
  118   HE21  GLN  13          HE21      GLN  13  -6.713  15.084   2.840
  119   HE22  GLN  13          HE22      GLN  13  -6.427  16.603   2.018
  120    H    ASP  14           H        ASP  14  -8.498  19.412   7.021
  121    HA   ASP  14           HA       ASP  14  -7.678  19.674   9.758
  122    HB2  ASP  14           HB2      ASP  14  -9.554  21.260   8.008
  123    HB3  ASP  14           HB3      ASP  14  -9.268  21.649   9.712
  124    HN1  NH2  15           HN1      NH2  15  -9.984  17.611   8.586
  125    HN2  NH2  15           HN2      NH2  15 -11.016  17.546  10.002
  Start of MODEL   19
    1    H1   TRP   1           H1       TRP   1   3.565  -0.239  -1.553
    2    H2   TRP   1           H2       TRP   1   3.455   1.276  -2.186
    3    H3   TRP   1           H3       TRP   1   2.281   0.157  -2.499
    4    HA   TRP   1           HA       TRP   1   1.641   0.094  -0.195
    5    HB2  TRP   1           HB2      TRP   1   2.587   1.593   1.393
    6    HB3  TRP   1           HB3      TRP   1   3.911   0.711   0.654
    7    HD1  TRP   1           HD1      TRP   1   5.650   2.122  -0.797
    8    HE1  TRP   1           HE1      TRP   1   6.144   4.613  -1.020
    9    HE3  TRP   1           HE3      TRP   1   1.412   3.971   1.372
   10    HZ2  TRP   1           HZ2      TRP   1   4.850   7.120  -0.355
   11    HZ3  TRP   1           HZ3      TRP   1   1.058   6.415   1.546
   12    HH2  TRP   1           HH2      TRP   1   2.765   7.995   0.695
   13    H    TYR   2           H        TYR   2   1.862   2.243  -2.863
   14    HA   TYR   2           HA       TYR   2   0.631   4.501  -1.793
   15    HB2  TYR   2           HB2      TYR   2   0.959   3.539  -4.602
   16    HB3  TYR   2           HB3      TYR   2   0.030   4.988  -4.234
   17    HD1  TYR   2           HD1      TYR   2   1.132   6.797  -2.753
   18    HD2  TYR   2           HD2      TYR   2   3.312   3.716  -4.813
   19    HE1  TYR   2           HE1      TYR   2   3.191   8.173  -2.617
   20    HE2  TYR   2           HE2      TYR   2   5.381   5.088  -4.676
   21    HH   TYR   2           HH       TYR   2   5.413   8.320  -3.144
   22    H    HIS   3           H        HIS   3  -1.003   1.568  -2.214
   23    HA   HIS   3           HA       HIS   3  -3.614   2.699  -2.754
   24    HB2  HIS   3           HB2      HIS   3  -4.406   0.490  -1.974
   25    HB3  HIS   3           HB3      HIS   3  -3.156   0.380  -3.227
   26    HD2  HIS   3           HD2      HIS   3  -4.043  -1.047   0.054
   27    HE1  HIS   3           HE1      HIS   3   0.146  -1.728  -0.271
   28    HE2  HIS   3           HE2      HIS   3  -1.966  -2.338   1.019
   29    H    ARG   4           H        ARG   4  -1.550   2.548   0.035
   30    HA   ARG   4           HA       ARG   4  -3.768   3.093   1.900
   31    HB2  ARG   4           HB2      ARG   4  -0.772   2.783   2.346
   32    HB3  ARG   4           HB3      ARG   4  -1.978   3.066   3.613
   33    HG2  ARG   4           HG2      ARG   4  -3.140   0.957   2.979
   34    HG3  ARG   4           HG3      ARG   4  -1.919   0.673   1.722
   35    HD2  ARG   4           HD2      ARG   4  -1.368  -0.627   3.725
   36    HD3  ARG   4           HD3      ARG   4  -0.145   0.617   3.446
   37    HE   ARG   4           HE       ARG   4  -0.794   1.716   5.396
   38   HH11  ARG   4          HH11      ARG   4  -3.113  -0.846   4.641
   39   HH12  ARG   4          HH12      ARG   4  -3.916  -0.735   6.193
   40   HH21  ARG   4          HH21      ARG   4  -1.854   1.832   7.404
   41   HH22  ARG   4          HH22      ARG   4  -3.199   0.765   7.748
   42    H    LEU   5           H        LEU   5  -2.206   4.973  -0.310
   43    HA   LEU   5           HA       LEU   5  -1.144   7.130   1.176
   44    HB2  LEU   5           HB2      LEU   5  -0.852   6.764  -1.265
   45    HB3  LEU   5           HB3      LEU   5  -2.570   7.098  -1.508
   46    HG   LEU   5           HG       LEU   5  -2.159   9.409  -0.481
   47   HD11  LEU   5          HD11      LEU   5   0.731   8.518  -0.921
   48   HD12  LEU   5          HD12      LEU   5   0.220  10.185  -0.600
   49   HD13  LEU   5          HD13      LEU   5  -0.017   8.935   0.642
   50   HD21  LEU   5          HD21      LEU   5  -2.408   9.026  -2.894
   51   HD22  LEU   5          HD22      LEU   5  -1.203  10.288  -2.565
   52   HD23  LEU   5          HD23      LEU   5  -0.669   8.657  -3.025
   53    H    SER   6           H        SER   6  -4.503   6.337   0.289
   54    HA   SER   6           HA       SER   6  -5.640   8.855   1.020
   55    HB2  SER   6           HB2      SER   6  -6.796   7.228  -0.400
   56    HB3  SER   6           HB3      SER   6  -6.818   6.053   0.931
   57    HG   SER   6           HG       SER   6  -8.100   8.585   0.878
   58    H    HIS   7           H        HIS   7  -4.619   6.032   2.925
   59    HA   HIS   7           HA       HIS   7  -6.161   6.760   5.258
   60    HB2  HIS   7           HB2      HIS   7  -3.760   4.925   4.920
   61    HB3  HIS   7           HB3      HIS   7  -4.780   5.026   6.360
   62    HD2  HIS   7           HD2      HIS   7  -6.618   3.229   6.479
   63    HE1  HIS   7           HE1      HIS   7  -7.165   2.452   2.334
   64    HE2  HIS   7           HE2      HIS   7  -7.888   1.802   4.693
   65    H    LEU   8           H        LEU   8  -3.046   7.704   3.926
   66    HA   LEU   8           HA       LEU   8  -2.116   8.853   6.479
   67    HB2  LEU   8           HB2      LEU   8  -1.030   8.664   3.649
   68    HB3  LEU   8           HB3      LEU   8  -0.354   9.800   4.825
   69    HG   LEU   8           HG       LEU   8   0.032   7.879   6.401
   70   HD11  LEU   8          HD11      LEU   8  -1.529   6.208   5.434
   71   HD12  LEU   8          HD12      LEU   8  -0.596   6.233   3.916
   72   HD13  LEU   8          HD13      LEU   8   0.135   5.601   5.410
   73   HD21  LEU   8          HD21      LEU   8   1.780   8.883   4.970
   74   HD22  LEU   8          HD22      LEU   8   2.049   7.133   5.172
   75   HD23  LEU   8          HD23      LEU   8   1.353   7.761   3.663
   76    H    HIS   9           H        HIS   9  -3.368   9.973   3.268
   77    HA   HIS   9           HA       HIS   9  -3.069  12.745   4.017
   78    HB2  HIS   9           HB2      HIS   9  -4.358  11.275   1.715
   79    HB3  HIS   9           HB3      HIS   9  -4.563  13.018   1.930
   80    HD2  HIS   9           HD2      HIS   9  -2.954  14.295   0.405
   81    HE1  HIS   9           HE1      HIS   9   0.511  11.858   0.767
   82    HE2  HIS   9           HE2      HIS   9  -0.449  13.977  -0.282
   83    H    SER  10           H        SER  10  -5.752  10.405   4.307
   84    HA   SER  10           HA       SER  10  -7.784  12.328   4.866
   85    HB2  SER  10           HB2      SER  10  -8.291  10.009   4.318
   86    HB3  SER  10           HB3      SER  10  -7.429   9.442   5.762
   87    HG   SER  10           HG       SER  10  -9.760  11.048   5.678
   88    H    ARG  11           H        ARG  11  -5.060  11.215   6.734
   89    HA   ARG  11           HA       ARG  11  -6.155  12.090   9.299
   90    HB2  ARG  11           HB2      ARG  11  -3.438  11.053   8.413
   91    HB3  ARG  11           HB3      ARG  11  -3.809  11.544  10.085
   92    HG2  ARG  11           HG2      ARG  11  -5.610   9.887  10.205
   93    HG3  ARG  11           HG3      ARG  11  -5.313   9.408   8.518
   94    HD2  ARG  11           HD2      ARG  11  -3.005   8.740   9.120
   95    HD3  ARG  11           HD3      ARG  11  -3.304   9.204  10.799
   96    HE   ARG  11           HE       ARG  11  -4.551   6.916   9.336
   97   HH11  ARG  11          HH11      ARG  11  -3.909   8.591  12.389
   98   HH12  ARG  11          HH12      ARG  11  -4.457   7.246  13.366
   99   HH21  ARG  11          HH21      ARG  11  -5.243   5.199  10.635
  100   HH22  ARG  11          HH22      ARG  11  -5.212   5.335  12.381
  101    H    LEU  12           H        LEU  12  -5.534  13.900   6.799
  102    HA   LEU  12           HA       LEU  12  -4.511  16.159   8.423
  103    HB2  LEU  12           HB2      LEU  12  -2.522  15.224   7.323
  104    HB3  LEU  12           HB3      LEU  12  -3.379  15.182   5.774
  105    HG   LEU  12           HG       LEU  12  -3.578  17.698   5.869
  106   HD11  LEU  12          HD11      LEU  12  -1.601  17.314   8.165
  107   HD12  LEU  12          HD12      LEU  12  -2.000  18.870   7.395
  108   HD13  LEU  12          HD13      LEU  12  -3.243  17.989   8.309
  109   HD21  LEU  12          HD21      LEU  12  -1.891  16.567   4.521
  110   HD22  LEU  12          HD22      LEU  12  -1.225  18.059   5.218
  111   HD23  LEU  12          HD23      LEU  12  -0.790  16.481   5.922
  112    H    GLN  13           H        GLN  13  -6.071  14.892   5.511
  113    HA   GLN  13           HA       GLN  13  -6.832  17.322   4.303
  114    HB2  GLN  13           HB2      GLN  13  -6.730  15.175   3.158
  115    HB3  GLN  13           HB3      GLN  13  -7.980  14.514   4.227
  116    HG2  GLN  13           HG2      GLN  13  -8.905  15.058   2.049
  117    HG3  GLN  13           HG3      GLN  13  -9.639  16.064   3.303
  118   HE21  GLN  13          HE21      GLN  13 -10.177  17.889   2.088
  119   HE22  GLN  13          HE22      GLN  13  -9.006  18.858   1.217
  120    H    ASP  14           H        ASP  14  -8.957  18.314   4.183
  121    HA   ASP  14           HA       ASP  14 -10.700  19.313   5.095
  122    HB2  ASP  14           HB2      ASP  14 -11.330  16.505   5.938
  123    HB3  ASP  14           HB3      ASP  14 -12.424  17.858   6.237
  124    HN1  NH2  15           HN1      NH2  15  -8.204  19.019   6.910
  125    HN2  NH2  15           HN2      NH2  15  -8.811  19.641   8.425
  Start of MODEL   20
    1    H1   TRP   1           H1       TRP   1   2.801  -0.025  -1.558
    2    H2   TRP   1           H2       TRP   1   4.085  -0.224  -0.548
    3    H3   TRP   1           H3       TRP   1   3.901   1.188  -1.364
    4    HA   TRP   1           HA       TRP   1   2.112   0.158   0.728
    5    HB2  TRP   1           HB2      TRP   1   2.937   1.871   2.131
    6    HB3  TRP   1           HB3      TRP   1   4.339   1.019   1.495
    7    HD1  TRP   1           HD1      TRP   1   5.969   2.404  -0.090
    8    HE1  TRP   1           HE1      TRP   1   6.255   4.889  -0.599
    9    HE3  TRP   1           HE3      TRP   1   1.579   4.132   1.866
   10    HZ2  TRP   1           HZ2      TRP   1   4.742   7.340  -0.233
   11    HZ3  TRP   1           HZ3      TRP   1   1.018   6.535   1.752
   12    HH2  TRP   1           HH2      TRP   1   2.579   8.147   0.698
   13    H    TYR   2           H        TYR   2   2.280   1.952  -2.189
   14    HA   TYR   2           HA       TYR   2   0.881   4.246  -1.445
   15    HB2  TYR   2           HB2      TYR   2   1.394   2.987  -4.100
   16    HB3  TYR   2           HB3      TYR   2   0.340   4.391  -3.943
   17    HD1  TYR   2           HD1      TYR   2   3.735   3.319  -4.229
   18    HD2  TYR   2           HD2      TYR   2   1.225   6.452  -2.693
   19    HE1  TYR   2           HE1      TYR   2   5.687   4.857  -4.189
   20    HE2  TYR   2           HE2      TYR   2   3.158   7.998  -2.646
   21    HH   TYR   2           HH       TYR   2   5.392   8.260  -3.092
   22    H    HIS   3           H        HIS   3  -0.566   1.183  -1.550
   23    HA   HIS   3           HA       HIS   3  -3.207   2.085  -2.300
   24    HB2  HIS   3           HB2      HIS   3  -3.908  -0.073  -1.286
   25    HB3  HIS   3           HB3      HIS   3  -2.627  -0.248  -2.491
   26    HD2  HIS   3           HD2      HIS   3  -3.518  -1.354   0.910
   27    HE1  HIS   3           HE1      HIS   3   0.707  -1.805   0.763
   28    HE2  HIS   3           HE2      HIS   3  -1.404  -2.391   2.060
   29    H    ARG   4           H        ARG   4  -1.236   2.422   0.521
   30    HA   ARG   4           HA       ARG   4  -3.540   3.007   2.266
   31    HB2  ARG   4           HB2      ARG   4  -0.549   2.960   2.816
   32    HB3  ARG   4           HB3      ARG   4  -1.822   3.230   4.025
   33    HG2  ARG   4           HG2      ARG   4  -2.768   0.985   3.506
   34    HG3  ARG   4           HG3      ARG   4  -1.461   0.721   2.330
   35    HD2  ARG   4           HD2      ARG   4  -0.886  -0.374   4.420
   36    HD3  ARG   4           HD3      ARG   4   0.215   0.975   4.135
   37    HE   ARG   4           HE       ARG   4  -2.134   1.075   6.010
   38   HH11  ARG   4          HH11      ARG   4   1.197   1.965   5.209
   39   HH12  ARG   4          HH12      ARG   4   1.416   2.880   6.685
   40   HH21  ARG   4          HH21      ARG   4  -1.798   2.235   7.920
   41   HH22  ARG   4          HH22      ARG   4  -0.259   3.012   8.217
   42    H    LEU   5           H        LEU   5  -1.940   4.696  -0.084
   43    HA   LEU   5           HA       LEU   5  -1.079   7.089   1.150
   44    HB2  LEU   5           HB2      LEU   5  -0.613   6.500  -1.189
   45    HB3  LEU   5           HB3      LEU   5  -2.344   6.549  -1.560
   46    HG   LEU   5           HG       LEU   5  -2.364   8.993  -0.907
   47   HD11  LEU   5          HD11      LEU   5   0.655   8.532  -0.946
   48   HD12  LEU   5          HD12      LEU   5  -0.135  10.126  -0.933
   49   HD13  LEU   5          HD13      LEU   5  -0.317   9.036   0.464
   50   HD21  LEU   5          HD21      LEU   5  -2.280   8.260  -3.241
   51   HD22  LEU   5          HD22      LEU   5  -1.335   9.741  -2.994
   52   HD23  LEU   5          HD23      LEU   5  -0.501   8.172  -3.157
   53    H    SER   6           H        SER   6  -4.360   6.024   0.190
   54    HA   SER   6           HA       SER   6  -5.553   8.614   0.489
   55    HB2  SER   6           HB2      SER   6  -7.651   7.389   0.324
   56    HB3  SER   6           HB3      SER   6  -6.496   6.785  -0.882
   57    HG   SER   6           HG       SER   6  -7.116   5.595   1.625
   58    H    HIS   7           H        HIS   7  -4.542   6.198   2.812
   59    HA   HIS   7           HA       HIS   7  -6.394   7.083   4.887
   60    HB2  HIS   7           HB2      HIS   7  -3.885   5.377   5.050
   61    HB3  HIS   7           HB3      HIS   7  -5.073   5.604   6.333
   62    HD2  HIS   7           HD2      HIS   7  -6.789   3.708   6.499
   63    HE1  HIS   7           HE1      HIS   7  -6.819   2.369   2.457
   64    HE2  HIS   7           HE2      HIS   7  -7.761   1.970   4.799
   65    H    LEU   8           H        LEU   8  -3.049   7.780   3.837
   66    HA   LEU   8           HA       LEU   8  -2.381   9.372   6.167
   67    HB2  LEU   8           HB2      LEU   8  -1.234   9.018   3.374
   68    HB3  LEU   8           HB3      LEU   8  -0.661  10.298   4.454
   69    HG   LEU   8           HG       LEU   8  -0.138   8.575   6.195
   70   HD11  LEU   8          HD11      LEU   8  -0.627   6.650   3.880
   71   HD12  LEU   8          HD12      LEU   8   0.151   6.240   5.432
   72   HD13  LEU   8          HD13      LEU   8  -1.557   6.705   5.407
   73   HD21  LEU   8          HD21      LEU   8   1.526   9.577   4.687
   74   HD22  LEU   8          HD22      LEU   8   1.927   7.881   5.048
   75   HD23  LEU   8          HD23      LEU   8   1.201   8.319   3.476
   76    H    HIS   9           H        HIS   9  -3.538  10.115   2.807
   77    HA   HIS   9           HA       HIS   9  -3.609  12.936   3.329
   78    HB2  HIS   9           HB2      HIS   9  -4.722  11.159   1.156
   79    HB3  HIS   9           HB3      HIS   9  -5.040  12.906   1.205
   80    HD2  HIS   9           HD2      HIS   9  -3.449  14.173  -0.355
   81    HE1  HIS   9           HE1      HIS   9   0.120  11.944   0.247
   82    HE2  HIS   9           HE2      HIS   9  -0.915  13.941  -0.960
   83    H    SER  10           H        SER  10  -5.782  10.368   4.223
   84    HA   SER  10           HA       SER  10  -8.103  12.108   4.497
   85    HB2  SER  10           HB2      SER  10  -8.371   9.701   4.147
   86    HB3  SER  10           HB3      SER  10  -7.448   9.356   5.624
   87    HG   SER  10           HG       SER  10  -9.057  10.335   6.827
   88    H    ARG  11           H        ARG  11  -5.367  11.058   6.503
   89    HA   ARG  11           HA       ARG  11  -6.443  12.298   8.931
   90    HB2  ARG  11           HB2      ARG  11  -3.775  11.009   8.236
   91    HB3  ARG  11           HB3      ARG  11  -4.178  11.652   9.834
   92    HG2  ARG  11           HG2      ARG  11  -5.728   9.446   8.413
   93    HG3  ARG  11           HG3      ARG  11  -4.494   9.196   9.665
   94    HD2  ARG  11           HD2      ARG  11  -5.856  10.547  11.249
   95    HD3  ARG  11           HD3      ARG  11  -7.110  10.715  10.012
   96    HE   ARG  11           HE       ARG  11  -7.690   8.451  10.243
   97   HH11  ARG  11          HH11      ARG  11  -4.960   9.284  12.339
   98   HH12  ARG  11          HH12      ARG  11  -5.117   7.829  13.296
   99   HH21  ARG  11          HH21      ARG  11  -7.858   6.573  11.516
  100   HH22  ARG  11          HH22      ARG  11  -6.737   6.303  12.835
  101    H    LEU  12           H        LEU  12  -4.771  13.396   6.147
  102    HA   LEU  12           HA       LEU  12  -3.249  15.528   7.352
  103    HB2  LEU  12           HB2      LEU  12  -2.758  14.655   5.116
  104    HB3  LEU  12           HB3      LEU  12  -4.398  15.046   4.580
  105    HG   LEU  12           HG       LEU  12  -3.886  17.489   4.966
  106   HD11  LEU  12          HD11      LEU  12  -1.049  16.409   5.289
  107   HD12  LEU  12          HD12      LEU  12  -1.496  18.127   5.128
  108   HD13  LEU  12          HD13      LEU  12  -2.011  17.211   6.557
  109   HD21  LEU  12          HD21      LEU  12  -3.807  16.461   2.760
  110   HD22  LEU  12          HD22      LEU  12  -2.542  17.698   2.926
  111   HD23  LEU  12          HD23      LEU  12  -2.111  15.974   3.028
  112    H    GLN  13           H        GLN  13  -6.630  15.047   6.562
  113    HA   GLN  13           HA       GLN  13  -7.366  17.750   6.104
  114    HB2  GLN  13           HB2      GLN  13  -8.986  15.377   7.104
  115    HB3  GLN  13           HB3      GLN  13  -9.681  16.899   6.507
  116    HG2  GLN  13           HG2      GLN  13  -8.671  16.548   4.300
  117    HG3  GLN  13           HG3      GLN  13  -7.881  15.069   4.878
  118   HE21  GLN  13          HE21      GLN  13  -9.805  13.715   6.259
  119   HE22  GLN  13          HE22      GLN  13 -11.171  13.348   5.226
  120    H    ASP  14           H        ASP  14  -8.731  19.126   7.485
  121    HA   ASP  14           HA       ASP  14  -7.614  19.393  10.146
  122    HB2  ASP  14           HB2      ASP  14  -8.289  21.254   8.557
  123    HB3  ASP  14           HB3      ASP  14  -9.977  20.800   8.818
  124    HN1  NH2  15           HN1      NH2  15 -10.155  17.490   8.811
  125    HN2  NH2  15           HN2      NH2  15 -11.058  17.217  10.290