*HEADER    CELL CYCLE                              24-JAN-17   5MXT              
*TITLE     PEPTIDE-MEMBRANE INTERACTION BETWEEN TARGETING AND LYSIS              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRP-TYR-HIS-ARG-LEU-SER-HIS-ILE-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, CELL CYCLE                                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.SCHNEIDER,M.BLATTER                                                 
*REVDAT   1   22-FEB-17 5MXT    0                                                
# Restraints file 1: MS-V5-8.upl
1 TRP  HA      1 TRP  HD1     4.18            #peak 164 #SUP 0.94 #QF 0.94
1 TRP  HA      1 TRP  HE3     4.70            #peak 137 #SUP 0.93 #QF 0.93
1 TRP  HA      2 TYR  H       2.88            #peak 265 #SUP 0.95 #QF 0.95
1 TRP  HA      2 TYR  QB      5.22            #peak 415
1 TRP  HB2     1 TRP  HE3     4.25            #peak 322 #SUP 0.79 #QF 0.79
1 TRP  HB2     2 TYR  H       4.28            #peak 321 #SUP 0.90 #QF 0.82
1 TRP  HB3     1 TRP  HE3     4.25            #peak 145 #SUP 0.74 #QF 0.74
1 TRP  HB3     2 TYR  H       4.28            #peak 49 #SUP 0.96 #QF 0.96
1 TRP  HD1     2 TYR  H       4.42            #peak 163 #SUP 0.97 #QF 0.97
1 TRP  HE3     3 HIS  H       4.75            #peak 43 #SUP 0.99 #QF 0.94
1 TRP  HZ3     3 HIS  HA      5.50            #peak 228 #SUP 0.92 #QF 0.92
1 TRP  QB      1 TRP  HD1     3.30            #peak 166
1 TRP  QB      1 TRP  HE3     3.72            #peak 145
1 TRP  QB      2 TYR  H       3.71            #peak 49
1 TRP  QB      3 HIS  H       4.74            #peak 321
1 TRP  QB      3 HIS  HD2     5.12            #peak 27
2 TYR  H       2 TYR  HA      2.88            #peak 233 #SUP 0.82 #QF 0.82
2 TYR  H       2 TYR  QB      3.39            #peak 404
2 TYR  HA      2 TYR  QD      3.52            #peak 234 #SUP 0.92 #QF 0.92
2 TYR  HA      4 ARG  H       4.99            #peak 69 #SUP 0.75 #QF 0.66
2 TYR  HA      5 LEU  H       5.15            #peak 69 #SUP 0.75 #QF 0.66
2 TYR  HB2     4 ARG  H       5.50            #peak 405 #SUP 0.94 #QF 0.94
2 TYR  HB3     4 ARG  H       5.50            #peak 422 #SUP 0.94 #QF 0.91
2 TYR  QB      3 HIS  H       3.55            #peak 418
2 TYR  QB      3 HIS  HA      5.34            #peak 230
2 TYR  QB      3 HIS  HB3     5.34            #peak 423
2 TYR  QB      5 LEU  H       5.34            #peak 422
2 TYR  QD      3 HIS  H       3.90            #peak 45 #SUP 0.94 #QF 0.94
2 TYR  QD      4 ARG  H       5.39            #peak 202 #SUP 0.71 #QF 0.71
2 TYR  QD      5 LEU  H       5.50            #peak 67 #SUP 0.96 #QF 0.91
2 TYR  QE      3 HIS  H       5.50            #peak 46 #SUP 0.83 #QF 0.83
3 HIS  H       3 HIS  HB2     3.82            #peak 395 #SUP 0.97 #QF 0.97
3 HIS  H       3 HIS  HB3     4.03            #peak 385 #SUP 0.85 #QF 0.85
3 HIS  H       3 HIS  HE1     5.50            #peak 62 #SUP 0.90 #QF 0.90
3 HIS  H       4 ARG  HA      5.50            #peak 292 #SUP 0.70 #QF 0.70
3 HIS  H       4 ARG  HG2     5.50            #peak 499 #SUP 0.63 #QF 0.63
3 HIS  HA      4 ARG  H       3.52            #peak 68 #SUP 0.91 #QF 0.91
3 HIS  HB2     3 HIS  HE1     4.80            #peak 184 #SUP 0.98 #QF 0.98
3 HIS  HB2     4 ARG  H       4.39            #peak 396 #SUP 0.96 #QF 0.96
3 HIS  HB3     4 ARG  H       3.99            #peak 71 #SUP 0.80 #QF 0.80
3 HIS  HE1     4 ARG  H       4.61            #peak 186 #SUP 0.78 #QF 0.78
3 HIS  HE1     4 ARG  HG2     4.72            #peak 174 #SUP 0.60 #QF 0.49
3 HIS  HE1     4 ARG  QB      4.73            #peak 173
4 ARG  H       4 ARG  HB2     3.80            #peak 73 #SUP 0.84 #QF 0.42
4 ARG  H       4 ARG  HB3     3.80            #peak 74 #SUP 0.94 #QF 0.83
4 ARG  H       4 ARG  QB      3.24            #peak 74
4 ARG  H       4 ARG  QD      4.97            #peak 374 #SUP 0.94 #QF 0.69
4 ARG  HA      4 ARG  HG2     3.97            #peak 288 #SUP 0.88 #QF 0.77
4 ARG  HA      4 ARG  QD      4.38            #peak 291 #SUP 0.98 #QF 0.97
4 ARG  HA      6 SER  H       4.99            #peak 286 #SUP 0.69 #QF 0.69
4 ARG  HA      7 HIS  QB      4.93            #peak 336
4 ARG  HB3     4 ARG  QD      4.00            #peak 475 #SUP 0.97 #QF 0.97
4 ARG  HG3     7 HIS  QB      5.34            #peak 489
4 ARG  QB      5 LEU  H       4.28            #peak 73
4 ARG  QB      5 LEU  HA      5.34            #peak 472
4 ARG  QB      6 SER  H       5.34            #peak 457
4 ARG  QD      5 LEU  HA      5.50            #peak 370 #SUP 0.98 #QF 0.38
4 ARG  QD      7 HIS  H       4.49            #peak 378 #SUP 0.62 #QF 0.62
4 ARG  QD      8 ILE  H       4.93            #peak 379 #SUP 0.75 #QF 0.75
4 ARG  QD      8 ILE  QD1     4.68            #peak 384 #SUP 0.62 #QF 0.62
5 LEU  H       5 LEU  QD1     5.23            #peak 76 #SUP 1.00 #QF 0.97
5 LEU  H       5 LEU  QD2     5.23            #peak 77 #SUP 1.00 #QF 0.92
5 LEU  H       6 SER  H       4.02            #peak 79 #SUP 0.98 #QF 0.87
5 LEU  HA      5 LEU  QD1     4.71            #peak 257 #SUP 0.96 #QF 0.60
5 LEU  HA      5 LEU  QD2     4.71            #peak 256 #SUP 0.87 #QF 0.36
5 LEU  HA      5 LEU  QQD     3.66            #peak 256
5 LEU  HA      7 HIS  HB2     5.50            #peak 335 #SUP 0.81 #QF 0.81
5 LEU  HA      7 HIS  HB3     5.50            #peak 370 #SUP 0.98 #QF 0.38
5 LEU  HA      8 ILE  H       4.81            #peak 247 #SUP 0.98 #QF 0.84
5 LEU  HA      8 ILE  QD1     4.24            #peak 256 #SUP 0.87 #QF 0.36
5 LEU  HA      8 ILE  QG1     5.34            #peak 517
5 LEU  HA      9 HIS  HE1     5.16            #peak 159 #SUP 0.82 #QF 0.82
5 LEU  HB3     5 LEU  QD1     3.59            #peak 522 #SUP 0.79 #QF 0.58
5 LEU  HB3     5 LEU  QQD     2.90            #peak 524
5 LEU  HB3     6 SER  H       3.14            #peak 113 #SUP 0.63 #QF 0.63
5 LEU  HB3     9 HIS  HE1     5.50            #peak 485 #SUP 0.95 #QF 0.27
5 LEU  QD1     6 SER  H       5.13            #peak 521 #SUP 0.99 #QF 0.95
5 LEU  QD1     9 HIS  HE1     4.88            #peak 518 #SUP 0.94 #QF 0.94
5 LEU  QD2     6 SER  H       5.13            #peak 116 #SUP 1.00 #QF 0.70
5 LEU  QD2     9 HIS  HE1     4.88            #peak 156 #SUP 0.88 #QF 0.88
5 LEU  QQD     6 SER  H       4.25            #peak 116
5 LEU  QQD     7 HIS  H       5.44            #peak 36
5 LEU  QQD     9 HIS  HD2     5.18            #peak 6
5 LEU  QQD     9 HIS  HE1     3.97            #peak 156
5 LEU  QQD     9 HIS  QB      5.28            #peak 350
6 SER  H       6 SER  HA      2.88            #peak 246 #SUP 0.88 #QF 0.88
6 SER  H       6 SER  HB2     3.59            #peak 312 #SUP 0.97 #QF 0.97
6 SER  H       6 SER  HB3     3.59            #peak 320 #SUP 0.98 #QF 0.98
6 SER  H       7 HIS  QB      5.34            #peak 110
6 SER  HA      9 HIS  H       5.47            #peak 9 #SUP 0.97 #QF 0.74
6 SER  HA      9 HIS  QB      4.50            #peak 250
6 SER  HB2     7 HIS  H       4.58            #peak 310 #SUP 0.91 #QF 0.91
6 SER  HB3     7 HIS  H       4.58            #peak 319 #SUP 0.97 #QF 0.97
6 SER  QB      7 HIS  H       3.97            #peak 310
6 SER  QB      8 ILE  H       5.34            #peak 125
7 HIS  H       7 HIS  HB2     3.91            #peak 338 #SUP 0.97 #QF 0.97
7 HIS  H       7 HIS  HB3     3.91            #peak 367 #SUP 0.98 #QF 0.98
7 HIS  H       7 HIS  QB      3.40            #peak 367
7 HIS  H       8 ILE  H       3.91            #peak 29 #SUP 0.98 #QF 0.98
7 HIS  H       8 ILE  QD1     5.50            #peak 36 #SUP 0.93 #QF 0.31
7 HIS  HA      7 HIS  QB      2.64            #peak 210
7 HIS  HB2     8 ILE  H       4.51            #peak 340 #SUP 0.97 #QF 0.97
7 HIS  HB2     8 ILE  HA      5.50            #peak 301 #SUP 0.81 #QF 0.81
7 HIS  HB3     8 ILE  H       4.51            #peak 127 #SUP 0.97 #QF 0.22
7 HIS  HB3     8 ILE  HA      5.50            #peak 359 #SUP 0.77 #QF 0.41
7 HIS  HE1    11 ARG  QD      4.12            #peak 365 #SUP 0.83 #QF 0.83
7 HIS  HE1    11 ARG  QG      5.34            #peak 485
7 HIS  QB      8 ILE  H       3.91            #peak 340
7 HIS  QB      8 ILE  QD1     5.21            #peak 372
8 ILE  H       8 ILE  HB      3.35            #peak 128 #SUP 0.87 #QF 0.87
8 ILE  H       8 ILE  HG12    3.98            #peak 129 #SUP 0.92 #QF 0.92
8 ILE  H       8 ILE  HG13    3.98            #peak 130 #SUP 0.94 #QF 0.94
8 ILE  H       8 ILE  QD1     3.64            #peak 131 #SUP 0.89 #QF 0.89
8 ILE  H       8 ILE  QG2     4.31            #peak 529 #SUP 1.00 #QF 0.98
8 ILE  H       9 HIS  H       3.90            #peak 132 #SUP 0.88 #QF 0.88
8 ILE  HA     11 ARG  QB      5.18            #peak 450
8 ILE  HA     11 ARG  QD      5.50            #peak 359 #SUP 0.77 #QF 0.41
8 ILE  HA      8 ILE  QG2     3.18            #peak 298 #SUP 0.98 #QF 0.98
8 ILE  HB      8 ILE  QD1     3.49            #peak 533 #SUP 1.00 #QF 0.99
8 ILE  HB      9 HIS  H       3.91            #peak 17 #SUP 0.93 #QF 0.93
8 ILE  HG12    9 HIS  H       5.49            #peak 10 #SUP 0.90 #QF 0.90
8 ILE  HG13    9 HIS  H       5.49            #peak 18 #SUP 0.93 #QF 0.93
8 ILE  QG1     9 HIS  H       4.84            #peak 10
8 ILE  QG2    10 SER  H       5.40            #peak 89 #SUP 0.91 #QF 0.91
8 ILE  QG2    11 ARG  H       5.48            #peak 61 #SUP 0.75 #QF 0.75
8 ILE  QG2    11 ARG  QD      4.98            #peak 372 #SUP 0.92 #QF 0.76
8 ILE  QG2    12 LEU  H       5.50            #peak 77 #SUP 1.00 #QF 0.92
8 ILE  QG2     9 HIS  H       3.82            #peak 19 #SUP 0.94 #QF 0.24
8 ILE  QG2     9 HIS  QB      5.34            #peak 350
9 HIS  H       9 HIS  HB2     3.64            #peak 346 #SUP 0.98 #QF 0.98
9 HIS  H       9 HIS  HB3     3.64            #peak 354 #SUP 0.97 #QF 0.97
9 HIS  H       9 HIS  HE1     4.68            #peak 157 #SUP 0.82 #QF 0.82
9 HIS  HA     13 GLN  H       4.48            #peak 215 #SUP 0.65 #QF 0.65
9 HIS  HA      9 HIS  HE1     5.19            #peak 216 #SUP 0.96 #QF 0.96
9 HIS  HB2    10 SER  H       4.29            #peak 347 #SUP 0.99 #QF 0.99
9 HIS  HB3    10 SER  H       4.29            #peak 86 #SUP 0.90 #QF 0.90
9 HIS  QB     10 SER  H       3.74            #peak 347
9 HIS  QB     10 SER  HA      5.34            #peak 353
9 HIS  QB      9 HIS  HE1     4.55            #peak 160
10 SER  H      10 SER  HB2     3.76            #peak 83 #SUP 0.94 #QF 0.94
10 SER  H      10 SER  HB3     3.76            #peak 84 #SUP 0.77 #QF 0.77
10 SER  HA     13 GLN  H       4.67            #peak 241 #SUP 0.93 #QF 0.93
10 SER  HA     13 GLN  HB2     5.50            #peak 435 #SUP 0.86 #QF 0.86
10 SER  HA     13 GLN  HB3     5.50            #peak 441 #SUP 0.83 #QF 0.83
10 SER  HA     14 ASP  H       5.50            #peak 237 #SUP 0.93 #QF 0.93
10 SER  HA     14 ASP  QB      5.34            #peak 414
10 SER  HB2    11 ARG  H       4.58            #peak 304 #SUP 0.97 #QF 0.97
10 SER  HB3    11 ARG  H       4.58            #peak 311 #SUP 0.97 #QF 0.97
10 SER  QB     11 ARG  H       3.92            #peak 304
10 SER  QB     14 ASP  H       4.92            #peak 308
10 SER  QB     14 ASP  QB      5.12            #peak 410
11 ARG  H      11 ARG  HB2     3.91            #peak 58 #SUP 0.86 #QF 0.86
11 ARG  H      11 ARG  HB3     3.91            #peak 59 #SUP 0.96 #QF 0.96
11 ARG  H      11 ARG  QB      3.38            #peak 59
11 ARG  H      11 ARG  QG      4.39            #peak 60
11 ARG  H      13 GLN  H       4.27            #peak 54 #SUP 0.87 #QF 0.87
11 ARG  HA     11 ARG  HG2     4.13            #peak 477 #SUP 0.90 #QF 0.90
11 ARG  HA     11 ARG  HG3     4.13            #peak 255 #SUP 0.81 #QF 0.49
11 ARG  HA     11 ARG  QD      4.44            #peak 262 #SUP 0.71 #QF 0.71
11 ARG  HA     11 ARG  QG      3.58            #peak 477
11 ARG  HB2    13 GLN  H       5.50            #peak 111 #SUP 0.83 #QF 0.83
11 ARG  HB3    13 GLN  H       5.50            #peak 457 #SUP 0.87 #QF 0.76
11 ARG  QB     13 GLN  H       4.69            #peak 111
12 LEU  H      12 LEU  HB2     3.26            #peak 75 #SUP 0.75 #QF 0.75
12 LEU  H      12 LEU  QQD     5.44            #peak 76
12 LEU  H      13 GLN  H       4.25            #peak 79 #SUP 0.98 #QF 0.87
12 LEU  HA     12 LEU  QD1     4.28            #peak 519 #SUP 0.98 #QF 0.98
12 LEU  HA     12 LEU  QD2     4.28            #peak 256 #SUP 0.87 #QF 0.36
12 LEU  HB3    13 GLN  H       3.75            #peak 114 #SUP 0.97 #QF 0.89
12 LEU  QD1    13 GLN  H       5.50            #peak 521 #SUP 0.99 #QF 0.95
12 LEU  QD2    13 GLN  H       5.50            #peak 116 #SUP 1.00 #QF 0.70
12 LEU  QQD    13 GLN  H       4.50            #peak 116
12 LEU  QQD    13 GLN  HA      3.45            #peak 525
12 LEU  QQD    13 GLN  QG      5.28            #peak 427
13 GLN  H      13 GLN  QB      3.56            #peak 442
13 GLN  H      13 GLN  QG      4.30            #peak 428 #SUP 0.89 #QF 0.89
13 GLN  HA     13 GLN  QB      2.61            #peak 276
13 GLN  HA     15 NH2  HN1     5.47            #peak 153 #SUP 0.75 #QF 0.75
13 GLN  HB2    14 ASP  H       5.35            #peak 95 #SUP 0.73 #QF 0.73
13 GLN  HB3    14 ASP  H       5.35            #peak 96 #SUP 1.00
14 ASP  H      15 NH2  HN1     4.46            #peak 97 #SUP 0.65 #QF 0.65
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  -1.891   4.305  -2.122
    2    H2   TRP   1           H2       TRP   1  -2.487   3.509  -0.811
    3    H3   TRP   1           H3       TRP   1  -1.336   2.802  -1.752
    4    HA   TRP   1           HA       TRP   1   0.275   4.442  -1.157
    5    HB2  TRP   1           HB2      TRP   1  -1.379   6.244  -0.794
    6    HB3  TRP   1           HB3      TRP   1  -1.915   5.452   0.680
    7    HD1  TRP   1           HD1      TRP   1   1.122   7.276  -0.786
    8    HE1  TRP   1           HE1      TRP   1   2.548   8.250   1.082
    9    HE3  TRP   1           HE3      TRP   1  -1.350   5.300   3.231
   10    HZ2  TRP   1           HZ2      TRP   1   2.631   8.180   3.975
   11    HZ3  TRP   1           HZ3      TRP   1  -0.565   5.772   5.531
   12    HH2  TRP   1           HH2      TRP   1   1.416   7.208   5.916
   13    H    TYR   2           H        TYR   2   1.270   4.526   1.213
   14    HA   TYR   2           HA       TYR   2   1.816   1.895   1.791
   15    HB2  TYR   2           HB2      TYR   2   3.485   3.352   2.243
   16    HB3  TYR   2           HB3      TYR   2   2.434   4.470   3.111
   17    HD1  TYR   2           HD1      TYR   2   1.751   4.097   5.424
   18    HD2  TYR   2           HD2      TYR   2   4.548   1.497   3.434
   19    HE1  TYR   2           HE1      TYR   2   2.447   3.175   7.616
   20    HE2  TYR   2           HE2      TYR   2   5.267   0.589   5.626
   21    HH   TYR   2           HH       TYR   2   3.824   1.705   8.706
   22    H    HIS   3           H        HIS   3  -1.010   3.402   2.997
   23    HA   HIS   3           HA       HIS   3  -1.145   2.053   5.521
   24    HB2  HIS   3           HB2      HIS   3  -3.489   2.667   5.491
   25    HB3  HIS   3           HB3      HIS   3  -2.492   4.016   4.918
   26    HD2  HIS   3           HD2      HIS   3  -3.507   5.208   2.874
   27    HE1  HIS   3           HE1      HIS   3  -5.739   2.007   1.182
   28    HE2  HIS   3           HE2      HIS   3  -5.135   4.474   0.958
   29    H    ARG   4           H        ARG   4  -1.420   0.909   2.297
   30    HA   ARG   4           HA       ARG   4  -3.283  -1.215   2.690
   31    HB2  ARG   4           HB2      ARG   4  -1.600  -0.177   0.592
   32    HB3  ARG   4           HB3      ARG   4  -1.327  -1.921   0.695
   33    HG2  ARG   4           HG2      ARG   4  -4.055  -0.586   0.501
   34    HG3  ARG   4           HG3      ARG   4  -3.180  -1.308  -0.864
   35    HD2  ARG   4           HD2      ARG   4  -3.169  -3.498   0.313
   36    HD3  ARG   4           HD3      ARG   4  -4.105  -2.788   1.638
   37    HE   ARG   4           HE       ARG   4  -5.944  -2.384   0.047
   38   HH11  ARG   4          HH11      ARG   4  -3.488  -4.766  -0.879
   39   HH12  ARG   4          HH12      ARG   4  -4.566  -5.602  -1.974
   40   HH21  ARG   4          HH21      ARG   4  -7.306  -3.514  -1.358
   41   HH22  ARG   4          HH22      ARG   4  -6.708  -4.904  -2.240
   42    H    LEU   5           H        LEU   5  -0.072  -0.829   3.885
   43    HA   LEU   5           HA       LEU   5   0.757  -3.564   3.858
   44    HB2  LEU   5           HB2      LEU   5   2.308  -1.719   4.217
   45    HB3  LEU   5           HB3      LEU   5   1.434  -1.211   5.668
   46    HG   LEU   5           HG       LEU   5   2.042  -3.318   6.804
   47   HD11  LEU   5          HD11      LEU   5   3.800  -4.766   5.779
   48   HD12  LEU   5          HD12      LEU   5   2.284  -4.808   4.856
   49   HD13  LEU   5          HD13      LEU   5   3.662  -3.843   4.266
   50   HD21  LEU   5          HD21      LEU   5   4.400  -1.823   5.594
   51   HD22  LEU   5          HD22      LEU   5   3.464  -1.320   7.017
   52   HD23  LEU   5          HD23      LEU   5   4.436  -2.804   7.077
   53    H    SER   6           H        SER   6  -1.495  -1.752   5.904
   54    HA   SER   6           HA       SER   6  -1.429  -3.509   8.156
   55    HB2  SER   6           HB2      SER   6  -2.310  -1.213   8.217
   56    HB3  SER   6           HB3      SER   6  -3.634  -1.682   7.127
   57    HG   SER   6           HG       SER   6  -4.321  -3.159   8.722
   58    H    HIS   7           H        HIS   7  -2.770  -3.873   4.968
   59    HA   HIS   7           HA       HIS   7  -4.913  -5.694   5.661
   60    HB2  HIS   7           HB2      HIS   7  -4.739  -4.280   3.589
   61    HB3  HIS   7           HB3      HIS   7  -3.408  -5.297   3.045
   62    HD2  HIS   7           HD2      HIS   7  -7.145  -5.059   2.985
   63    HE1  HIS   7           HE1      HIS   7  -6.292  -8.998   1.634
   64    HE2  HIS   7           HE2      HIS   7  -8.100  -7.223   1.868
   65    H    ILE   8           H        ILE   8  -1.433  -5.950   5.091
   66    HA   ILE   8           HA       ILE   8  -1.526  -8.805   4.579
   67    HB   ILE   8           HB       ILE   8   0.763  -6.882   5.146
   68   HG12  ILE   8          HG12      ILE   8  -0.333  -8.080   2.568
   69   HG13  ILE   8          HG13      ILE   8  -0.547  -6.405   3.101
   70   HG21  ILE   8          HG21      ILE   8   1.383  -9.213   5.709
   71   HG22  ILE   8          HG22      ILE   8   0.837  -9.743   4.100
   72   HG23  ILE   8          HG23      ILE   8   2.233  -8.653   4.258
   73   HD11  ILE   8          HD11      ILE   8   2.095  -7.728   2.360
   74   HD12  ILE   8          HD12      ILE   8   1.218  -6.481   1.451
   75   HD13  ILE   8          HD13      ILE   8   1.926  -6.087   3.033
   76    H    HIS   9           H        HIS   9  -1.021  -6.670   7.382
   77    HA   HIS   9           HA       HIS   9  -0.191  -8.825   9.146
   78    HB2  HIS   9           HB2      HIS   9  -1.145  -5.984   9.629
   79    HB3  HIS   9           HB3      HIS   9  -0.613  -7.085  10.908
   80    HD2  HIS   9           HD2      HIS   9   1.826  -6.721  11.600
   81    HE1  HIS   9           HE1      HIS   9   3.447  -5.286   7.942
   82    HE2  HIS   9           HE2      HIS   9   3.965  -5.835  10.377
   83    H    SER  10           H        SER  10  -3.308  -7.274   8.275
   84    HA   SER  10           HA       SER  10  -4.764  -8.490  10.448
   85    HB2  SER  10           HB2      SER  10  -6.736  -7.709   9.260
   86    HB3  SER  10           HB3      SER  10  -5.498  -6.442   9.273
   87    HG   SER  10           HG       SER  10  -6.191  -8.191   7.148
   88    H    ARG  11           H        ARG  11  -3.677  -9.605   7.305
   89    HA   ARG  11           HA       ARG  11  -5.618 -11.673   6.905
   90    HB2  ARG  11           HB2      ARG  11  -4.147 -10.749   5.170
   91    HB3  ARG  11           HB3      ARG  11  -2.730 -11.437   5.985
   92    HG2  ARG  11           HG2      ARG  11  -3.577 -13.711   5.634
   93    HG3  ARG  11           HG3      ARG  11  -5.070 -13.070   4.906
   94    HD2  ARG  11           HD2      ARG  11  -3.717 -12.009   3.107
   95    HD3  ARG  11           HD3      ARG  11  -2.247 -12.654   3.851
   96    HE   ARG  11           HE       ARG  11  -2.797 -14.821   3.122
   97   HH11  ARG  11          HH11      ARG  11  -5.357 -12.530   2.268
   98   HH12  ARG  11          HH12      ARG  11  -6.119 -13.639   1.148
   99   HH21  ARG  11          HH21      ARG  11  -3.818 -16.224   1.673
  100   HH22  ARG  11          HH22      ARG  11  -5.251 -15.716   0.813
  101    H    LEU  12           H        LEU  12  -2.708 -11.425   8.873
  102    HA   LEU  12           HA       LEU  12  -2.754 -14.307   9.527
  103    HB2  LEU  12           HB2      LEU  12  -0.655 -13.189   9.010
  104    HB3  LEU  12           HB3      LEU  12  -0.927 -11.987  10.263
  105    HG   LEU  12           HG       LEU  12   0.764 -13.799  10.736
  106   HD11  LEU  12          HD11      LEU  12  -0.208 -12.370  12.504
  107   HD12  LEU  12          HD12      LEU  12  -1.454 -13.611  12.803
  108   HD13  LEU  12          HD13      LEU  12   0.251 -13.989  13.075
  109   HD21  LEU  12          HD21      LEU  12  -0.501 -15.702   9.836
  110   HD22  LEU  12          HD22      LEU  12  -0.007 -15.965  11.519
  111   HD23  LEU  12          HD23      LEU  12  -1.690 -15.541  11.151
  112    H    GLN  13           H        GLN  13  -3.619 -11.136  10.862
  113    HA   GLN  13           HA       GLN  13  -3.778 -12.063  13.595
  114    HB2  GLN  13           HB2      GLN  13  -3.248  -9.758  13.040
  115    HB3  GLN  13           HB3      GLN  13  -4.815  -9.552  12.236
  116    HG2  GLN  13           HG2      GLN  13  -6.007  -9.903  14.344
  117    HG3  GLN  13           HG3      GLN  13  -4.488 -10.270  15.178
  118   HE21  GLN  13          HE21      GLN  13  -5.694  -8.417  16.487
  119   HE22  GLN  13          HE22      GLN  13  -5.128  -6.802  16.116
  120    H    ASP  14           H        ASP  14  -6.204 -11.546  10.985
  121    HA   ASP  14           HA       ASP  14  -7.995 -13.327  12.419
  122    HB2  ASP  14           HB2      ASP  14  -9.935 -11.707  12.327
  123    HB3  ASP  14           HB3      ASP  14  -8.703 -11.455  13.568
  124    HN1  NH2  15           HN1      NH2  15  -6.632 -12.698   9.593
  125    HN2  NH2  15           HN2      NH2  15  -7.907 -13.230   8.520
  Start of MODEL    2
    1    H1   TRP   1           H1       TRP   1  -1.181   2.747  -1.690
    2    H2   TRP   1           H2       TRP   1  -1.490   4.306  -2.121
    3    H3   TRP   1           H3       TRP   1  -2.149   3.677  -0.748
    4    HA   TRP   1           HA       TRP   1   0.706   4.118  -1.246
    5    HB2  TRP   1           HB2      TRP   1  -0.583   6.196  -0.899
    6    HB3  TRP   1           HB3      TRP   1  -1.203   5.563   0.614
    7    HD1  TRP   1           HD1      TRP   1   2.057   6.775  -0.992
    8    HE1  TRP   1           HE1      TRP   1   3.694   7.532   0.806
    9    HE3  TRP   1           HE3      TRP   1  -0.597   5.374   3.148
   10    HZ2  TRP   1           HZ2      TRP   1   3.859   7.509   3.693
   11    HZ3  TRP   1           HZ3      TRP   1   0.338   5.732   5.408
   12    HH2  TRP   1           HH2      TRP   1   2.557   6.802   5.697
   13    H    TYR   2           H        TYR   2   1.837   4.104   1.041
   14    HA   TYR   2           HA       TYR   2   1.992   1.454   1.713
   15    HB2  TYR   2           HB2      TYR   2   3.877   2.662   2.026
   16    HB3  TYR   2           HB3      TYR   2   3.054   3.941   2.914
   17    HD1  TYR   2           HD1      TYR   2   2.381   3.651   5.276
   18    HD2  TYR   2           HD2      TYR   2   4.823   0.785   3.206
   19    HE1  TYR   2           HE1      TYR   2   3.085   2.690   7.451
   20    HE2  TYR   2           HE2      TYR   2   5.544  -0.178   5.374
   21    HH   TYR   2           HH       TYR   2   4.352   1.081   8.506
   22    H    HIS   3           H        HIS   3  -0.478   3.443   3.034
   23    HA   HIS   3           HA       HIS   3  -0.747   2.237   5.591
   24    HB2  HIS   3           HB2      HIS   3  -3.075   3.057   5.467
   25    HB3  HIS   3           HB3      HIS   3  -1.911   4.276   4.928
   26    HD2  HIS   3           HD2      HIS   3  -2.774   5.571   2.885
   27    HE1  HIS   3           HE1      HIS   3  -5.055   2.525   0.980
   28    HE2  HIS   3           HE2      HIS   3  -4.309   4.964   0.857
   29    H    ARG   4           H        ARG   4  -1.382   0.985   2.412
   30    HA   ARG   4           HA       ARG   4  -3.389  -0.937   3.207
   31    HB2  ARG   4           HB2      ARG   4  -3.183  -1.810   0.962
   32    HB3  ARG   4           HB3      ARG   4  -3.220  -0.046   0.946
   33    HG2  ARG   4           HG2      ARG   4  -1.532  -0.385  -0.519
   34    HG3  ARG   4           HG3      ARG   4  -0.569  -0.296   0.970
   35    HD2  ARG   4           HD2      ARG   4  -0.539  -2.766   1.106
   36    HD3  ARG   4           HD3      ARG   4  -1.540  -2.871  -0.346
   37    HE   ARG   4           HE       ARG   4   1.309  -2.022  -0.186
   38   HH11  ARG   4          HH11      ARG   4  -1.515  -2.772  -2.182
   39   HH12  ARG   4          HH12      ARG   4  -0.587  -2.867  -3.659
   40   HH21  ARG   4          HH21      ARG   4   2.485  -2.152  -2.120
   41   HH22  ARG   4          HH22      ARG   4   1.670  -2.512  -3.626
   42    H    LEU   5           H        LEU   5  -0.057  -0.838   3.884
   43    HA   LEU   5           HA       LEU   5   0.593  -3.611   3.634
   44    HB2  LEU   5           HB2      LEU   5   2.310  -1.937   4.017
   45    HB3  LEU   5           HB3      LEU   5   1.552  -1.440   5.534
   46    HG   LEU   5           HG       LEU   5   2.023  -3.669   6.521
   47   HD11  LEU   5          HD11      LEU   5   3.482  -4.160   3.892
   48   HD12  LEU   5          HD12      LEU   5   3.568  -5.208   5.326
   49   HD13  LEU   5          HD13      LEU   5   2.037  -5.030   4.451
   50   HD21  LEU   5          HD21      LEU   5   4.455  -2.335   5.271
   51   HD22  LEU   5          HD22      LEU   5   3.637  -1.811   6.763
   52   HD23  LEU   5          HD23      LEU   5   4.448  -3.389   6.710
   53    H    SER   6           H        SER   6  -1.380  -1.802   5.919
   54    HA   SER   6           HA       SER   6  -1.399  -3.680   8.059
   55    HB2  SER   6           HB2      SER   6  -3.457  -2.520   8.739
   56    HB3  SER   6           HB3      SER   6  -2.200  -1.361   8.258
   57    HG   SER   6           HG       SER   6  -3.273  -0.992   6.379
   58    H    HIS   7           H        HIS   7  -2.751  -3.886   4.865
   59    HA   HIS   7           HA       HIS   7  -4.967  -5.619   5.479
   60    HB2  HIS   7           HB2      HIS   7  -4.754  -4.311   3.390
   61    HB3  HIS   7           HB3      HIS   7  -3.316  -5.243   2.949
   62    HD2  HIS   7           HD2      HIS   7  -3.786  -7.167   1.303
   63    HE1  HIS   7           HE1      HIS   7  -7.862  -7.965   2.218
   64    HE2  HIS   7           HE2      HIS   7  -5.899  -8.595   0.719
   65    H    ILE   8           H        ILE   8  -1.476  -6.079   4.971
   66    HA   ILE   8           HA       ILE   8  -1.716  -8.935   4.547
   67    HB   ILE   8           HB       ILE   8   0.594  -7.029   5.040
   68   HG12  ILE   8          HG12      ILE   8   1.320  -7.846   2.809
   69   HG13  ILE   8          HG13      ILE   8  -0.111  -8.879   2.707
   70   HG21  ILE   8          HG21      ILE   8   2.117  -8.960   4.685
   71   HG22  ILE   8          HG22      ILE   8   1.201  -9.104   6.188
   72   HG23  ILE   8          HG23      ILE   8   0.725 -10.061   4.763
   73   HD11  ILE   8          HD11      ILE   8  -0.206  -5.841   2.950
   74   HD12  ILE   8          HD12      ILE   8  -0.295  -6.738   1.422
   75   HD13  ILE   8          HD13      ILE   8  -1.576  -6.934   2.626
   76    H    HIS   9           H        HIS   9  -1.017  -6.760   7.297
   77    HA   HIS   9           HA       HIS   9  -0.458  -8.890   9.154
   78    HB2  HIS   9           HB2      HIS   9  -1.308  -5.998   9.553
   79    HB3  HIS   9           HB3      HIS   9  -0.759  -7.079  10.844
   80    HD2  HIS   9           HD2      HIS   9   1.727  -6.806  11.434
   81    HE1  HIS   9           HE1      HIS   9   3.238  -5.445   7.696
   82    HE2  HIS   9           HE2      HIS   9   3.837  -5.984  10.115
   83    H    SER  10           H        SER  10  -3.412  -7.441   7.895
   84    HA   SER  10           HA       SER  10  -5.124  -8.253  10.071
   85    HB2  SER  10           HB2      SER  10  -5.704  -7.618   7.151
   86    HB3  SER  10           HB3      SER  10  -6.935  -7.889   8.400
   87    HG   SER  10           HG       SER  10  -4.953  -5.858   8.372
   88    H    ARG  11           H        ARG  11  -3.789  -9.898   7.229
   89    HA   ARG  11           HA       ARG  11  -5.625 -12.161   7.427
   90    HB2  ARG  11           HB2      ARG  11  -3.018 -11.732   5.916
   91    HB3  ARG  11           HB3      ARG  11  -4.059 -13.168   5.770
   92    HG2  ARG  11           HG2      ARG  11  -5.925 -11.749   4.986
   93    HG3  ARG  11           HG3      ARG  11  -4.923 -10.303   5.175
   94    HD2  ARG  11           HD2      ARG  11  -4.942 -10.975   2.838
   95    HD3  ARG  11           HD3      ARG  11  -3.321 -11.167   3.513
   96    HE   ARG  11           HE       ARG  11  -3.476 -13.481   3.287
   97   HH11  ARG  11          HH11      ARG  11  -6.622 -12.009   2.601
   98   HH12  ARG  11          HH12      ARG  11  -7.286 -13.483   1.936
   99   HH21  ARG  11          HH21      ARG  11  -4.369 -15.372   2.410
  100   HH22  ARG  11          HH22      ARG  11  -6.020 -15.380   1.836
  101    H    LEU  12           H        LEU  12  -2.564 -11.200   8.866
  102    HA   LEU  12           HA       LEU  12  -1.937 -13.884   9.843
  103    HB2  LEU  12           HB2      LEU  12  -0.160 -12.351   9.338
  104    HB3  LEU  12           HB3      LEU  12  -0.827 -11.096  10.380
  105    HG   LEU  12           HG       LEU  12  -0.158 -13.744  11.646
  106   HD11  LEU  12          HD11      LEU  12   2.190 -13.033  11.913
  107   HD12  LEU  12          HD12      LEU  12   1.786 -13.267  10.200
  108   HD13  LEU  12          HD13      LEU  12   1.888 -11.623  10.872
  109   HD21  LEU  12          HD21      LEU  12   0.507 -12.258  13.513
  110   HD22  LEU  12          HD22      LEU  12   0.207 -10.827  12.495
  111   HD23  LEU  12          HD23      LEU  12  -1.141 -11.874  12.998
  112    H    GLN  13           H        GLN  13  -3.730 -11.048  10.897
  113    HA   GLN  13           HA       GLN  13  -4.001 -11.931  13.663
  114    HB2  GLN  13           HB2      GLN  13  -3.979  -9.572  13.071
  115    HB3  GLN  13           HB3      GLN  13  -5.389  -9.780  12.012
  116    HG2  GLN  13           HG2      GLN  13  -6.808 -10.324  13.919
  117    HG3  GLN  13           HG3      GLN  13  -5.408 -10.361  14.998
  118   HE21  GLN  13          HE21      GLN  13  -7.111  -8.797  16.062
  119   HE22  GLN  13          HE22      GLN  13  -6.862  -7.102  15.709
  120    H    ASP  14           H        ASP  14  -5.704 -12.475  10.637
  121    HA   ASP  14           HA       ASP  14  -8.188 -13.259  11.804
  122    HB2  ASP  14           HB2      ASP  14  -8.250 -12.556   9.574
  123    HB3  ASP  14           HB3      ASP  14  -6.935 -13.639   9.103
  124    HN1  NH2  15           HN1      NH2  15  -8.639 -14.910  13.061
  125    HN2  NH2  15           HN2      NH2  15  -7.875 -16.485  12.988
  Start of MODEL    3
    1    H1   TRP   1           H1       TRP   1   3.297  -0.169   1.194
    2    H2   TRP   1           H2       TRP   1   4.014   0.981   0.251
    3    H3   TRP   1           H3       TRP   1   2.376   0.938   0.400
    4    HA   TRP   1           HA       TRP   1   4.287   1.505   2.555
    5    HB2  TRP   1           HB2      TRP   1   4.076   3.288   0.835
    6    HB3  TRP   1           HB3      TRP   1   2.346   3.362   1.131
    7    HD1  TRP   1           HD1      TRP   1   5.695   4.144   2.798
    8    HE1  TRP   1           HE1      TRP   1   5.382   5.887   4.638
    9    HE3  TRP   1           HE3      TRP   1   0.593   4.466   2.736
   10    HZ2  TRP   1           HZ2      TRP   1   3.185   7.215   5.963
   11    HZ3  TRP   1           HZ3      TRP   1  -0.580   5.969   4.312
   12    HH2  TRP   1           HH2      TRP   1   0.694   7.340   5.935
   13    H    TYR   2           H        TYR   2   2.858   2.768   4.350
   14    HA   TYR   2           HA       TYR   2   1.475   0.744   5.590
   15    HB2  TYR   2           HB2      TYR   2   2.424   2.290   6.959
   16    HB3  TYR   2           HB3      TYR   2   1.720   3.655   6.099
   17    HD1  TYR   2           HD1      TYR   2  -0.647   4.297   6.402
   18    HD2  TYR   2           HD2      TYR   2   1.214   1.220   8.763
   19    HE1  TYR   2           HE1      TYR   2  -2.483   4.463   8.058
   20    HE2  TYR   2           HE2      TYR   2  -0.616   1.386  10.431
   21    HH   TYR   2           HH       TYR   2  -3.342   3.682  10.037
   22    H    HIS   3           H        HIS   3  -0.019   2.792   3.215
   23    HA   HIS   3           HA       HIS   3  -2.684   2.585   4.255
   24    HB2  HIS   3           HB2      HIS   3  -3.364   3.383   2.062
   25    HB3  HIS   3           HB3      HIS   3  -1.950   4.281   2.641
   26    HD2  HIS   3           HD2      HIS   3  -0.246   4.718   0.758
   27    HE1  HIS   3           HE1      HIS   3  -0.963   1.319  -1.696
   28    HE2  HIS   3           HE2      HIS   3   0.406   3.456  -1.443
   29    H    ARG   4           H        ARG   4  -0.628   0.281   2.813
   30    HA   ARG   4           HA       ARG   4  -2.926  -1.588   2.562
   31    HB2  ARG   4           HB2      ARG   4  -0.895  -0.841   0.516
   32    HB3  ARG   4           HB3      ARG   4  -1.194  -2.573   0.685
   33    HG2  ARG   4           HG2      ARG   4  -3.415  -0.527   0.329
   34    HG3  ARG   4           HG3      ARG   4  -2.676  -1.415  -1.015
   35    HD2  ARG   4           HD2      ARG   4  -4.015  -2.735   1.382
   36    HD3  ARG   4           HD3      ARG   4  -4.796  -2.460  -0.181
   37    HE   ARG   4           HE       ARG   4  -2.683  -4.424   0.456
   38   HH11  ARG   4          HH11      ARG   4  -4.646  -2.866  -2.047
   39   HH12  ARG   4          HH12      ARG   4  -4.334  -4.118  -3.226
   40   HH21  ARG   4          HH21      ARG   4  -2.309  -6.035  -1.106
   41   HH22  ARG   4          HH22      ARG   4  -3.020  -5.898  -2.697
   42    H    LEU   5           H        LEU   5   0.370  -1.033   3.649
   43    HA   LEU   5           HA       LEU   5   0.904  -3.844   4.068
   44    HB2  LEU   5           HB2      LEU   5   2.719  -2.202   3.863
   45    HB3  LEU   5           HB3      LEU   5   2.104  -1.302   5.258
   46    HG   LEU   5           HG       LEU   5   2.577  -3.237   6.732
   47   HD11  LEU   5          HD11      LEU   5   3.806  -4.440   4.212
   48   HD12  LEU   5          HD12      LEU   5   3.986  -5.086   5.860
   49   HD13  LEU   5          HD13      LEU   5   2.388  -5.068   5.093
   50   HD21  LEU   5          HD21      LEU   5   4.244  -1.452   6.414
   51   HD22  LEU   5          HD22      LEU   5   5.029  -3.021   6.670
   52   HD23  LEU   5          HD23      LEU   5   4.930  -2.333   5.031
   53    H    SER   6           H        SER   6  -0.708  -1.293   5.931
   54    HA   SER   6           HA       SER   6  -0.819  -2.791   8.387
   55    HB2  SER   6           HB2      SER   6  -2.523  -1.130   9.024
   56    HB3  SER   6           HB3      SER   6  -1.098  -0.349   8.309
   57    HG   SER   6           HG       SER   6  -2.218   0.118   6.537
   58    H    HIS   7           H        HIS   7  -2.408  -3.179   5.367
   59    HA   HIS   7           HA       HIS   7  -4.845  -4.380   6.468
   60    HB2  HIS   7           HB2      HIS   7  -4.755  -3.066   4.334
   61    HB3  HIS   7           HB3      HIS   7  -3.711  -4.304   3.647
   62    HD2  HIS   7           HD2      HIS   7  -7.332  -3.454   4.026
   63    HE1  HIS   7           HE1      HIS   7  -7.285  -7.543   2.844
   64    HE2  HIS   7           HE2      HIS   7  -8.751  -5.481   3.172
   65    H    ILE   8           H        ILE   8  -1.717  -5.394   5.097
   66    HA   ILE   8           HA       ILE   8  -2.473  -8.071   4.519
   67    HB   ILE   8           HB       ILE   8   0.189  -6.682   4.938
   68   HG12  ILE   8          HG12      ILE   8  -1.180  -7.717   2.419
   69   HG13  ILE   8          HG13      ILE   8  -1.367  -6.067   3.015
   70   HG21  ILE   8          HG21      ILE   8  -0.311  -9.501   3.902
   71   HG22  ILE   8          HG22      ILE   8   1.245  -8.648   3.844
   72   HG23  ILE   8          HG23      ILE   8   0.538  -9.066   5.407
   73   HD11  ILE   8          HD11      ILE   8   1.247  -7.359   2.151
   74   HD12  ILE   8          HD12      ILE   8   0.340  -6.096   1.299
   75   HD13  ILE   8          HD13      ILE   8   1.095  -5.732   2.870
   76    H    HIS   9           H        HIS   9  -1.457  -6.568   7.573
   77    HA   HIS   9           HA       HIS   9  -0.600  -9.002   8.816
   78    HB2  HIS   9           HB2      HIS   9  -1.833  -6.613  10.205
   79    HB3  HIS   9           HB3      HIS   9  -0.692  -7.783  10.870
   80    HD2  HIS   9           HD2      HIS   9  -0.623  -4.366  10.028
   81    HE1  HIS   9           HE1      HIS   9   3.110  -5.649   8.438
   82    HE2  HIS   9           HE2      HIS   9   1.732  -3.623   9.139
   83    H    SER  10           H        SER  10  -3.800  -7.736   8.078
   84    HA   SER  10           HA       SER  10  -5.203  -9.087  10.189
   85    HB2  SER  10           HB2      SER  10  -7.193  -8.573   8.921
   86    HB3  SER  10           HB3      SER  10  -6.101  -7.173   8.838
   87    HG   SER  10           HG       SER  10  -5.543  -7.777   6.774
   88    H    ARG  11           H        ARG  11  -3.642 -10.243   7.349
   89    HA   ARG  11           HA       ARG  11  -5.371 -12.546   6.920
   90    HB2  ARG  11           HB2      ARG  11  -2.617 -11.820   5.863
   91    HB3  ARG  11           HB3      ARG  11  -3.595 -13.206   5.335
   92    HG2  ARG  11           HG2      ARG  11  -5.396 -11.668   4.602
   93    HG3  ARG  11           HG3      ARG  11  -4.455 -10.276   5.172
   94    HD2  ARG  11           HD2      ARG  11  -4.212 -10.513   2.758
   95    HD3  ARG  11           HD3      ARG  11  -2.666 -10.806   3.563
   96    HE   ARG  11           HE       ARG  11  -2.739 -13.060   2.923
   97   HH11  ARG  11          HH11      ARG  11  -5.785 -11.460   2.115
   98   HH12  ARG  11          HH12      ARG  11  -6.343 -12.784   1.115
   99   HH21  ARG  11          HH21      ARG  11  -3.489 -14.756   1.612
  100   HH22  ARG  11          HH22      ARG  11  -5.045 -14.632   0.826
  101    H    LEU  12           H        LEU  12  -3.040 -11.799   9.237
  102    HA   LEU  12           HA       LEU  12  -2.617 -14.698   9.824
  103    HB2  LEU  12           HB2      LEU  12  -0.565 -13.790   9.030
  104    HB3  LEU  12           HB3      LEU  12  -0.710 -12.343  10.031
  105    HG   LEU  12           HG       LEU  12  -0.627 -15.016  11.418
  106   HD11  LEU  12          HD11      LEU  12   1.791 -13.569  10.275
  107   HD12  LEU  12          HD12      LEU  12   1.838 -14.970  11.370
  108   HD13  LEU  12          HD13      LEU  12   1.172 -15.146   9.738
  109   HD21  LEU  12          HD21      LEU  12   0.616 -12.280  11.992
  110   HD22  LEU  12          HD22      LEU  12  -0.887 -12.887  12.718
  111   HD23  LEU  12          HD23      LEU  12   0.654 -13.692  13.070
  112    H    GLN  13           H        GLN  13  -3.652 -11.559  10.851
  113    HA   GLN  13           HA       GLN  13  -3.711 -12.293  13.705
  114    HB2  GLN  13           HB2      GLN  13  -4.516  -9.789  12.195
  115    HB3  GLN  13           HB3      GLN  13  -4.686  -9.991  13.952
  116    HG2  GLN  13           HG2      GLN  13  -2.287 -10.331  14.212
  117    HG3  GLN  13           HG3      GLN  13  -2.040 -10.295  12.467
  118   HE21  GLN  13          HE21      GLN  13  -0.515  -8.585  13.879
  119   HE22  GLN  13          HE22      GLN  13  -1.090  -6.940  13.708
  120    H    ASP  14           H        ASP  14  -5.634 -13.030  11.084
  121    HA   ASP  14           HA       ASP  14  -8.203 -12.614  12.303
  122    HB2  ASP  14           HB2      ASP  14  -9.025 -14.089  10.427
  123    HB3  ASP  14           HB3      ASP  14  -8.272 -12.557  10.005
  124    HN1  NH2  15           HN1      NH2  15  -5.874 -14.731  13.261
  125    HN2  NH2  15           HN2      NH2  15  -6.902 -15.992  13.907
  Start of MODEL    4
    1    H1   TRP   1           H1       TRP   1   1.271   2.408  -0.038
    2    H2   TRP   1           H2       TRP   1   0.988   3.968  -0.501
    3    H3   TRP   1           H3       TRP   1  -0.214   3.071   0.188
    4    HA   TRP   1           HA       TRP   1   2.265   3.916   1.502
    5    HB2  TRP   1           HB2      TRP   1   0.681   5.756   1.051
    6    HB3  TRP   1           HB3      TRP   1  -0.578   4.877   1.922
    7    HD1  TRP   1           HD1      TRP   1   2.741   6.702   2.504
    8    HE1  TRP   1           HE1      TRP   1   2.910   7.466   4.926
    9    HE3  TRP   1           HE3      TRP   1  -1.484   4.494   4.338
   10    HZ2  TRP   1           HZ2      TRP   1   1.437   7.117   7.380
   11    HZ3  TRP   1           HZ3      TRP   1  -2.065   4.711   6.732
   12    HH2  TRP   1           HH2      TRP   1  -0.611   6.016   8.267
   13    H    TYR   2           H        TYR   2   1.765   3.753   4.028
   14    HA   TYR   2           HA       TYR   2   1.880   1.055   4.559
   15    HB2  TYR   2           HB2      TYR   2   3.035   2.370   5.984
   16    HB3  TYR   2           HB3      TYR   2   1.701   3.492   6.228
   17    HD1  TYR   2           HD1      TYR   2  -0.181   2.946   7.725
   18    HD2  TYR   2           HD2      TYR   2   3.291   0.430   7.414
   19    HE1  TYR   2           HE1      TYR   2  -0.796   1.846   9.856
   20    HE2  TYR   2           HE2      TYR   2   2.701  -0.671   9.551
   21    HH   TYR   2           HH       TYR   2  -0.219   0.270  11.415
   22    H    HIS   3           H        HIS   3  -1.143   2.650   4.161
   23    HA   HIS   3           HA       HIS   3  -2.627   0.969   5.948
   24    HB2  HIS   3           HB2      HIS   3  -4.578   1.688   4.682
   25    HB3  HIS   3           HB3      HIS   3  -3.503   3.049   5.033
   26    HD2  HIS   3           HD2      HIS   3  -3.216   4.657   3.062
   27    HE1  HIS   3           HE1      HIS   3  -3.941   1.998  -0.177
   28    HE2  HIS   3           HE2      HIS   3  -3.432   4.415   0.464
   29    H    ARG   4           H        ARG   4  -1.126   0.377   2.862
   30    HA   ARG   4           HA       ARG   4  -2.690  -2.033   2.312
   31    HB2  ARG   4           HB2      ARG   4  -0.229  -0.744   1.115
   32    HB3  ARG   4           HB3      ARG   4  -0.626  -2.419   0.720
   33    HG2  ARG   4           HG2      ARG   4  -2.567  -0.103   0.355
   34    HG3  ARG   4           HG3      ARG   4  -1.545  -0.793  -0.924
   35    HD2  ARG   4           HD2      ARG   4  -2.586  -3.029  -0.513
   36    HD3  ARG   4           HD3      ARG   4  -3.666  -2.291   0.670
   37    HE   ARG   4           HE       ARG   4  -4.808  -1.122  -1.048
   38   HH11  ARG   4          HH11      ARG   4  -2.235  -3.203  -2.331
   39   HH12  ARG   4          HH12      ARG   4  -2.895  -3.198  -3.950
   40   HH21  ARG   4          HH21      ARG   4  -5.636  -1.158  -3.156
   41   HH22  ARG   4          HH22      ARG   4  -4.805  -2.039  -4.420
   42    H    LEU   5           H        LEU   5   0.239  -1.267   4.132
   43    HA   LEU   5           HA       LEU   5   1.033  -4.059   4.359
   44    HB2  LEU   5           HB2      LEU   5   1.660  -1.497   5.897
   45    HB3  LEU   5           HB3      LEU   5   2.301  -3.062   6.390
   46    HG   LEU   5           HG       LEU   5   2.726  -1.846   3.618
   47   HD11  LEU   5          HD11      LEU   5   4.576  -1.918   6.040
   48   HD12  LEU   5          HD12      LEU   5   5.013  -1.346   4.415
   49   HD13  LEU   5          HD13      LEU   5   3.789  -0.474   5.361
   50   HD21  LEU   5          HD21      LEU   5   4.044  -4.190   5.061
   51   HD22  LEU   5          HD22      LEU   5   2.945  -4.305   3.667
   52   HD23  LEU   5          HD23      LEU   5   4.538  -3.547   3.483
   53    H    SER   6           H        SER   6  -0.852  -1.737   6.290
   54    HA   SER   6           HA       SER   6  -1.494  -3.471   8.452
   55    HB2  SER   6           HB2      SER   6  -3.105  -1.213   7.187
   56    HB3  SER   6           HB3      SER   6  -3.430  -1.949   8.772
   57    HG   SER   6           HG       SER   6  -1.074  -0.578   7.979
   58    H    HIS   7           H        HIS   7  -2.629  -3.395   5.126
   59    HA   HIS   7           HA       HIS   7  -5.027  -4.968   5.609
   60    HB2  HIS   7           HB2      HIS   7  -4.520  -3.382   3.651
   61    HB3  HIS   7           HB3      HIS   7  -3.470  -4.650   3.019
   62    HD2  HIS   7           HD2      HIS   7  -6.995  -3.504   2.898
   63    HE1  HIS   7           HE1      HIS   7  -7.158  -7.546   1.588
   64    HE2  HIS   7           HE2      HIS   7  -8.451  -5.366   1.750
   65    H    ILE   8           H        ILE   8  -1.656  -5.596   4.596
   66    HA   ILE   8           HA       ILE   8  -2.071  -8.391   4.069
   67    HB   ILE   8           HB       ILE   8   0.398  -6.701   4.571
   68   HG12  ILE   8          HG12      ILE   8  -0.693  -8.009   2.035
   69   HG13  ILE   8          HG13      ILE   8  -0.989  -6.326   2.490
   70   HG21  ILE   8          HG21      ILE   8   0.890  -9.029   5.245
   71   HG22  ILE   8          HG22      ILE   8   0.236  -9.617   3.697
   72   HG23  ILE   8          HG23      ILE   8   1.719  -8.628   3.737
   73   HD11  ILE   8          HD11      ILE   8   0.851  -6.411   0.905
   74   HD12  ILE   8          HD12      ILE   8   1.457  -5.889   2.487
   75   HD13  ILE   8          HD13      ILE   8   1.736  -7.560   1.913
   76    H    HIS   9           H        HIS   9  -0.793  -6.593   6.943
   77    HA   HIS   9           HA       HIS   9  -0.286  -8.973   8.452
   78    HB2  HIS   9           HB2      HIS   9  -0.897  -6.178   9.459
   79    HB3  HIS   9           HB3      HIS   9  -0.068  -7.464  10.348
   80    HD2  HIS   9           HD2      HIS   9   0.893  -4.384   8.989
   81    HE1  HIS   9           HE1      HIS   9   4.019  -6.868   7.522
   82    HE2  HIS   9           HE2      HIS   9   3.294  -4.459   7.943
   83    H    SER  10           H        SER  10  -3.274  -7.263   7.729
   84    HA   SER  10           HA       SER  10  -4.715  -8.110  10.056
   85    HB2  SER  10           HB2      SER  10  -5.478  -6.297   8.575
   86    HB3  SER  10           HB3      SER  10  -5.674  -7.457   7.242
   87    HG   SER  10           HG       SER  10  -7.077  -7.448   9.713
   88    H    ARG  11           H        ARG  11  -3.721  -9.760   7.102
   89    HA   ARG  11           HA       ARG  11  -5.660 -11.903   7.297
   90    HB2  ARG  11           HB2      ARG  11  -2.946 -11.752   5.914
   91    HB3  ARG  11           HB3      ARG  11  -4.160 -13.022   5.677
   92    HG2  ARG  11           HG2      ARG  11  -5.778 -11.343   4.850
   93    HG3  ARG  11           HG3      ARG  11  -4.586 -10.051   5.105
   94    HD2  ARG  11           HD2      ARG  11  -4.607 -10.688   2.750
   95    HD3  ARG  11           HD3      ARG  11  -3.064 -11.139   3.486
   96    HE   ARG  11           HE       ARG  11  -3.570 -13.399   3.235
   97   HH11  ARG  11          HH11      ARG  11  -6.388 -11.431   2.393
   98   HH12  ARG  11          HH12      ARG  11  -7.257 -12.775   1.687
   99   HH21  ARG  11          HH21      ARG  11  -4.731 -15.125   2.303
  100   HH22  ARG  11          HH22      ARG  11  -6.311 -14.847   1.613
  101    H    LEU  12           H        LEU  12  -2.571 -11.194   8.828
  102    HA   LEU  12           HA       LEU  12  -2.246 -13.934   9.839
  103    HB2  LEU  12           HB2      LEU  12  -0.287 -12.703   9.274
  104    HB3  LEU  12           HB3      LEU  12  -0.769 -11.301  10.231
  105    HG   LEU  12           HG       LEU  12  -0.405 -13.950  11.633
  106   HD11  LEU  12          HD11      LEU  12   1.836 -12.076  10.771
  107   HD12  LEU  12          HD12      LEU  12   2.002 -13.445  11.897
  108   HD13  LEU  12          HD13      LEU  12   1.579 -13.741  10.197
  109   HD21  LEU  12          HD21      LEU  12   0.237 -11.053  12.370
  110   HD22  LEU  12          HD22      LEU  12  -1.196 -11.954  12.917
  111   HD23  LEU  12          HD23      LEU  12   0.420 -12.464  13.435
  112    H    GLN  13           H        GLN  13  -3.619 -10.847  10.839
  113    HA   GLN  13           HA       GLN  13  -3.905 -11.652  13.632
  114    HB2  GLN  13           HB2      GLN  13  -5.032  -9.338  12.023
  115    HB3  GLN  13           HB3      GLN  13  -5.270  -9.550  13.766
  116    HG2  GLN  13           HG2      GLN  13  -2.896  -9.389  14.194
  117    HG3  GLN  13           HG3      GLN  13  -2.516  -9.423  12.467
  118   HE21  GLN  13          HE21      GLN  13  -5.278  -7.555  13.701
  119   HE22  GLN  13          HE22      GLN  13  -4.559  -5.978  13.427
  120    H    ASP  14           H        ASP  14  -5.913 -11.735  10.695
  121    HA   ASP  14           HA       ASP  14  -8.268 -12.553  12.151
  122    HB2  ASP  14           HB2      ASP  14  -7.626 -12.392   9.213
  123    HB3  ASP  14           HB3      ASP  14  -9.138 -13.083   9.827
  124    HN1  NH2  15           HN1      NH2  15  -5.517 -14.264  11.843
  125    HN2  NH2  15           HN2      NH2  15  -6.201 -15.874  11.768
  Start of MODEL    5
    1    H1   TRP   1           H1       TRP   1   0.722   4.427  -0.108
    2    H2   TRP   1           H2       TRP   1  -0.442   3.407   0.452
    3    H3   TRP   1           H3       TRP   1   1.108   2.875   0.285
    4    HA   TRP   1           HA       TRP   1   1.882   4.364   1.969
    5    HB2  TRP   1           HB2      TRP   1   0.155   6.085   1.528
    6    HB3  TRP   1           HB3      TRP   1  -1.059   5.045   2.263
    7    HD1  TRP   1           HD1      TRP   1   2.067   7.085   3.157
    8    HE1  TRP   1           HE1      TRP   1   2.033   7.717   5.621
    9    HE3  TRP   1           HE3      TRP   1  -2.072   4.451   4.605
   10    HZ2  TRP   1           HZ2      TRP   1   0.438   7.124   7.963
   11    HZ3  TRP   1           HZ3      TRP   1  -2.805   4.490   6.969
   12    HH2  TRP   1           HH2      TRP   1  -1.564   5.816   8.653
   13    H    TYR   2           H        TYR   2   1.244   4.004   4.457
   14    HA   TYR   2           HA       TYR   2   1.594   1.294   4.814
   15    HB2  TYR   2           HB2      TYR   2   2.526   2.580   6.419
   16    HB3  TYR   2           HB3      TYR   2   1.075   3.556   6.650
   17    HD1  TYR   2           HD1      TYR   2  -0.823   2.757   7.985
   18    HD2  TYR   2           HD2      TYR   2   2.835   0.517   7.679
   19    HE1  TYR   2           HE1      TYR   2  -1.492   1.406   9.956
   20    HE2  TYR   2           HE2      TYR   2   2.172  -0.838   9.651
   21    HH   TYR   2           HH       TYR   2  -0.917  -0.295  11.380
   22    H    HIS   3           H        HIS   3  -1.538   2.641   4.345
   23    HA   HIS   3           HA       HIS   3  -2.966   0.771   5.960
   24    HB2  HIS   3           HB2      HIS   3  -4.902   1.371   4.614
   25    HB3  HIS   3           HB3      HIS   3  -3.970   2.802   5.062
   26    HD2  HIS   3           HD2      HIS   3  -3.721   4.496   3.162
   27    HE1  HIS   3           HE1      HIS   3  -4.056   1.905  -0.194
   28    HE2  HIS   3           HE2      HIS   3  -3.794   4.332   0.546
   29    H    ARG   4           H        ARG   4  -1.259   0.406   2.943
   30    HA   ARG   4           HA       ARG   4  -2.585  -2.119   2.284
   31    HB2  ARG   4           HB2      ARG   4  -0.242  -0.577   1.153
   32    HB3  ARG   4           HB3      ARG   4  -0.475  -2.269   0.707
   33    HG2  ARG   4           HG2      ARG   4  -2.613  -0.128   0.391
   34    HG3  ARG   4           HG3      ARG   4  -1.538  -0.691  -0.900
   35    HD2  ARG   4           HD2      ARG   4  -2.393  -3.015  -0.585
   36    HD3  ARG   4           HD3      ARG   4  -3.519  -2.423   0.638
   37    HE   ARG   4           HE       ARG   4  -4.817  -1.367  -1.008
   38   HH11  ARG   4          HH11      ARG   4  -1.960  -2.891  -2.434
   39   HH12  ARG   4          HH12      ARG   4  -2.582  -2.775  -4.068
   40   HH21  ARG   4          HH21      ARG   4  -5.594  -1.249  -3.132
   41   HH22  ARG   4          HH22      ARG   4  -4.626  -1.854  -4.461
   42    H    LEU   5           H        LEU   5   0.028  -1.190   4.395
   43    HA   LEU   5           HA       LEU   5   1.073  -3.939   4.477
   44    HB2  LEU   5           HB2      LEU   5   1.560  -1.379   6.066
   45    HB3  LEU   5           HB3      LEU   5   2.262  -2.920   6.552
   46    HG   LEU   5           HG       LEU   5   2.677  -1.641   3.809
   47   HD11  LEU   5          HD11      LEU   5   4.481  -1.730   6.261
   48   HD12  LEU   5          HD12      LEU   5   4.936  -1.097   4.661
   49   HD13  LEU   5          HD13      LEU   5   3.674  -0.285   5.609
   50   HD21  LEU   5          HD21      LEU   5   2.981  -4.091   3.796
   51   HD22  LEU   5          HD22      LEU   5   4.552  -3.283   3.670
   52   HD23  LEU   5          HD23      LEU   5   4.043  -3.984   5.224
   53    H    SER   6           H        SER   6  -0.916  -1.760   6.485
   54    HA   SER   6           HA       SER   6  -1.522  -3.606   8.545
   55    HB2  SER   6           HB2      SER   6  -2.053  -1.201   8.651
   56    HB3  SER   6           HB3      SER   6  -3.215  -1.390   7.322
   57    HG   SER   6           HG       SER   6  -3.331  -2.604   9.885
   58    H    HIS   7           H        HIS   7  -2.660  -3.379   5.209
   59    HA   HIS   7           HA       HIS   7  -4.944  -5.104   5.483
   60    HB2  HIS   7           HB2      HIS   7  -4.583  -3.567   3.580
   61    HB3  HIS   7           HB3      HIS   7  -3.137  -4.463   3.120
   62    HD2  HIS   7           HD2      HIS   7  -3.490  -6.087   1.189
   63    HE1  HIS   7           HE1      HIS   7  -7.561  -7.145   1.814
   64    HE2  HIS   7           HE2      HIS   7  -5.527  -7.486   0.325
   65    H    ILE   8           H        ILE   8  -1.490  -5.614   4.610
   66    HA   ILE   8           HA       ILE   8  -1.833  -8.399   4.019
   67    HB   ILE   8           HB       ILE   8   0.579  -6.666   4.620
   68   HG12  ILE   8          HG12      ILE   8  -0.382  -7.964   2.035
   69   HG13  ILE   8          HG13      ILE   8  -0.801  -6.313   2.518
   70   HG21  ILE   8          HG21      ILE   8   1.975  -8.526   3.787
   71   HG22  ILE   8          HG22      ILE   8   1.119  -8.991   5.256
   72   HG23  ILE   8          HG23      ILE   8   0.534  -9.562   3.675
   73   HD11  ILE   8          HD11      ILE   8   1.622  -5.728   2.603
   74   HD12  ILE   8          HD12      ILE   8   2.017  -7.361   2.014
   75   HD13  ILE   8          HD13      ILE   8   1.091  -6.245   0.991
   76    H    HIS   9           H        HIS   9  -0.733  -6.637   6.983
   77    HA   HIS   9           HA       HIS   9  -0.180  -9.065   8.426
   78    HB2  HIS   9           HB2      HIS   9  -0.849  -6.315   9.526
   79    HB3  HIS   9           HB3      HIS   9   0.031  -7.614  10.350
   80    HD2  HIS   9           HD2      HIS   9   0.878  -4.451   9.113
   81    HE1  HIS   9           HE1      HIS   9   4.090  -6.769   7.562
   82    HE2  HIS   9           HE2      HIS   9   3.290  -4.407   8.088
   83    H    SER  10           H        SER  10  -3.165  -7.242   7.826
   84    HA   SER  10           HA       SER  10  -4.612  -8.235  10.086
   85    HB2  SER  10           HB2      SER  10  -5.346  -6.296   8.804
   86    HB3  SER  10           HB3      SER  10  -5.559  -7.308   7.351
   87    HG   SER  10           HG       SER  10  -7.508  -6.964   8.495
   88    H    ARG  11           H        ARG  11  -3.705  -9.697   7.029
   89    HA   ARG  11           HA       ARG  11  -5.731 -11.750   7.043
   90    HB2  ARG  11           HB2      ARG  11  -3.036 -11.532   5.652
   91    HB3  ARG  11           HB3      ARG  11  -4.223 -12.826   5.364
   92    HG2  ARG  11           HG2      ARG  11  -5.906 -11.143   4.672
   93    HG3  ARG  11           HG3      ARG  11  -4.748  -9.844   4.985
   94    HD2  ARG  11           HD2      ARG  11  -4.817 -10.315   2.601
   95    HD3  ARG  11           HD3      ARG  11  -3.240 -10.779   3.253
   96    HE   ARG  11           HE       ARG  11  -5.458 -12.709   2.632
   97   HH11  ARG  11          HH11      ARG  11  -2.002 -11.936   2.795
   98   HH12  ARG  11          HH12      ARG  11  -1.520 -13.492   2.163
   99   HH21  ARG  11          HH21      ARG  11  -4.785 -14.722   1.833
  100   HH22  ARG  11          HH22      ARG  11  -3.084 -15.062   1.628
  101    H    LEU  12           H        LEU  12  -3.072 -11.246   9.052
  102    HA   LEU  12           HA       LEU  12  -3.038 -14.128   9.829
  103    HB2  LEU  12           HB2      LEU  12  -0.937 -13.532   8.881
  104    HB3  LEU  12           HB3      LEU  12  -0.844 -12.026   9.790
  105    HG   LEU  12           HG       LEU  12  -1.020 -14.602  11.342
  106   HD11  LEU  12          HD11      LEU  12   1.489 -13.559   9.962
  107   HD12  LEU  12          HD12      LEU  12   1.439 -14.867  11.162
  108   HD13  LEU  12          HD13      LEU  12   0.639 -15.072   9.584
  109   HD21  LEU  12          HD21      LEU  12   0.608 -12.033  11.674
  110   HD22  LEU  12          HD22      LEU  12  -0.911 -12.383  12.525
  111   HD23  LEU  12          HD23      LEU  12   0.528 -13.376  12.837
  112    H    GLN  13           H        GLN  13  -3.664 -10.844  10.698
  113    HA   GLN  13           HA       GLN  13  -3.655 -11.468  13.590
  114    HB2  GLN  13           HB2      GLN  13  -3.950  -8.865  12.050
  115    HB3  GLN  13           HB3      GLN  13  -4.075  -8.993  13.812
  116    HG2  GLN  13           HG2      GLN  13  -1.808  -9.865  13.983
  117    HG3  GLN  13           HG3      GLN  13  -1.649  -9.914  12.223
  118   HE21  GLN  13          HE21      GLN  13   0.309  -8.584  13.419
  119   HE22  GLN  13          HE22      GLN  13   0.101  -6.846  13.292
  120    H    ASP  14           H        ASP  14  -5.876 -11.585  11.014
  121    HA   ASP  14           HA       ASP  14  -8.203 -10.738  12.436
  122    HB2  ASP  14           HB2      ASP  14  -9.436 -12.019  10.647
  123    HB3  ASP  14           HB3      ASP  14  -8.368 -10.716  10.108
  124    HN1  NH2  15           HN1      NH2  15  -6.287 -13.325  13.220
  125    HN2  NH2  15           HN2      NH2  15  -7.511 -14.327  13.977
  Start of MODEL    6
    1    H1   TRP   1           H1       TRP   1   3.920  -0.504  -4.098
    2    H2   TRP   1           H2       TRP   1   5.300   0.389  -4.157
    3    H3   TRP   1           H3       TRP   1   3.849   1.129  -3.901
    4    HA   TRP   1           HA       TRP   1   5.153  -0.767  -2.087
    5    HB2  TRP   1           HB2      TRP   1   6.292   1.389  -2.147
    6    HB3  TRP   1           HB3      TRP   1   4.751   2.216  -1.880
    7    HD1  TRP   1           HD1      TRP   1   7.228  -0.063  -0.036
    8    HE1  TRP   1           HE1      TRP   1   6.992   0.264   2.474
    9    HE3  TRP   1           HE3      TRP   1   3.178   3.054  -0.023
   10    HZ2  TRP   1           HZ2      TRP   1   5.270   1.733   4.291
   11    HZ3  TRP   1           HZ3      TRP   1   2.278   3.919   2.116
   12    HH2  TRP   1           HH2      TRP   1   3.302   3.257   4.274
   13    H    TYR   2           H        TYR   2   3.888  -1.622  -0.487
   14    HA   TYR   2           HA       TYR   2   1.068  -1.083  -0.737
   15    HB2  TYR   2           HB2      TYR   2   2.574  -3.132   0.810
   16    HB3  TYR   2           HB3      TYR   2   0.859  -2.813   1.101
   17    HD1  TYR   2           HD1      TYR   2   3.077  -4.777  -0.804
   18    HD2  TYR   2           HD2      TYR   2  -0.643  -2.634  -1.092
   19    HE1  TYR   2           HE1      TYR   2   2.428  -6.167  -2.753
   20    HE2  TYR   2           HE2      TYR   2  -1.293  -4.002  -3.039
   21    HH   TYR   2           HH       TYR   2   0.841  -6.576  -4.349
   22    H    HIS   3           H        HIS   3   0.268   0.685  -0.074
   23    HA   HIS   3           HA       HIS   3   0.943   1.845   2.516
   24    HB2  HIS   3           HB2      HIS   3  -0.744   3.513   1.860
   25    HB3  HIS   3           HB3      HIS   3   0.420   3.167   0.554
   26    HD2  HIS   3           HD2      HIS   3  -0.554   2.627  -1.759
   27    HE1  HIS   3           HE1      HIS   3  -4.580   1.799  -0.664
   28    HE2  HIS   3           HE2      HIS   3  -2.965   2.067  -2.617
   29    H    ARG   4           H        ARG   4  -1.332  -0.489   1.344
   30    HA   ARG   4           HA       ARG   4  -3.117  -0.239   3.656
   31    HB2  ARG   4           HB2      ARG   4  -4.317  -2.120   2.667
   32    HB3  ARG   4           HB3      ARG   4  -4.067  -0.832   1.482
   33    HG2  ARG   4           HG2      ARG   4  -2.341  -2.055   0.358
   34    HG3  ARG   4           HG3      ARG   4  -2.194  -3.221   1.692
   35    HD2  ARG   4           HD2      ARG   4  -3.440  -4.246  -0.123
   36    HD3  ARG   4           HD3      ARG   4  -4.485  -4.011   1.289
   37    HE   ARG   4           HE       ARG   4  -4.470  -2.149  -1.067
   38   HH11  ARG   4          HH11      ARG   4  -6.278  -4.106   1.287
   39   HH12  ARG   4          HH12      ARG   4  -7.825  -3.506   0.738
   40   HH21  ARG   4          HH21      ARG   4  -6.517  -1.416  -1.739
   41   HH22  ARG   4          HH22      ARG   4  -7.957  -2.025  -0.957
   42    H    LEU   5           H        LEU   5  -0.284  -0.759   4.251
   43    HA   LEU   5           HA       LEU   5   0.289  -3.480   4.643
   44    HB2  LEU   5           HB2      LEU   5   1.965  -1.716   4.793
   45    HB3  LEU   5           HB3      LEU   5   1.132  -0.983   6.167
   46    HG   LEU   5           HG       LEU   5   1.619  -2.995   7.544
   47   HD11  LEU   5          HD11      LEU   5   1.776  -4.693   5.769
   48   HD12  LEU   5          HD12      LEU   5   3.198  -3.875   5.084
   49   HD13  LEU   5          HD13      LEU   5   3.287  -4.633   6.695
   50   HD21  LEU   5          HD21      LEU   5   4.049  -1.775   6.187
   51   HD22  LEU   5          HD22      LEU   5   3.137  -1.049   7.530
   52   HD23  LEU   5          HD23      LEU   5   4.022  -2.565   7.785
   53    H    SER   6           H        SER   6  -1.806  -1.359   6.557
   54    HA   SER   6           HA       SER   6  -1.818  -2.941   8.936
   55    HB2  SER   6           HB2      SER   6  -2.626  -0.633   8.862
   56    HB3  SER   6           HB3      SER   6  -3.918  -1.098   7.739
   57    HG   SER   6           HG       SER   6  -4.606  -0.993   9.930
   58    H    HIS   7           H        HIS   7  -3.288  -3.422   5.793
   59    HA   HIS   7           HA       HIS   7  -5.364  -5.236   6.679
   60    HB2  HIS   7           HB2      HIS   7  -5.284  -3.822   4.556
   61    HB3  HIS   7           HB3      HIS   7  -4.069  -4.942   3.942
   62    HD2  HIS   7           HD2      HIS   7  -6.674  -6.847   5.857
   63    HE1  HIS   7           HE1      HIS   7  -7.988  -6.969   1.813
   64    HE2  HIS   7           HE2      HIS   7  -8.325  -7.941   4.143
   65    H    ILE   8           H        ILE   8  -1.955  -5.471   5.659
   66    HA   ILE   8           HA       ILE   8  -2.026  -8.283   5.094
   67    HB   ILE   8           HB       ILE   8   0.283  -6.418   5.760
   68   HG12  ILE   8          HG12      ILE   8  -0.908  -7.371   3.115
   69   HG13  ILE   8          HG13      ILE   8  -1.021  -5.734   3.793
   70   HG21  ILE   8          HG21      ILE   8   0.867  -8.808   6.111
   71   HG22  ILE   8          HG22      ILE   8   0.293  -9.181   4.468
   72   HG23  ILE   8          HG23      ILE   8   1.713  -8.136   4.715
   73   HD11  ILE   8          HD11      ILE   8   1.466  -5.538   3.658
   74   HD12  ILE   8          HD12      ILE   8   1.523  -7.131   2.866
   75   HD13  ILE   8          HD13      ILE   8   0.686  -5.780   2.077
   76    H    HIS   9           H        HIS   9  -1.386  -6.357   8.045
   77    HA   HIS   9           HA       HIS   9  -0.523  -8.615   9.619
   78    HB2  HIS   9           HB2      HIS   9  -1.667  -5.903  10.359
   79    HB3  HIS   9           HB3      HIS   9  -1.091  -7.086  11.537
   80    HD2  HIS   9           HD2      HIS   9   1.304  -6.716  12.315
   81    HE1  HIS   9           HE1      HIS   9   2.932  -4.784   8.898
   82    HE2  HIS   9           HE2      HIS   9   3.424  -5.592  11.255
   83    H    SER  10           H        SER  10  -3.684  -7.369   8.636
   84    HA   SER  10           HA       SER  10  -5.140  -8.883  10.658
   85    HB2  SER  10           HB2      SER  10  -6.051  -6.814   9.644
   86    HB3  SER  10           HB3      SER  10  -6.038  -7.613   8.049
   87    HG   SER  10           HG       SER  10  -7.527  -8.387  10.335
   88    H    ARG  11           H        ARG  11  -4.083  -9.377   7.281
   89    HA   ARG  11           HA       ARG  11  -5.539 -11.853   6.915
   90    HB2  ARG  11           HB2      ARG  11  -3.122 -10.627   5.529
   91    HB3  ARG  11           HB3      ARG  11  -3.893 -12.144   5.024
   92    HG2  ARG  11           HG2      ARG  11  -6.009 -10.995   4.612
   93    HG3  ARG  11           HG3      ARG  11  -5.360  -9.476   5.256
   94    HD2  ARG  11           HD2      ARG  11  -5.334  -9.431   2.809
   95    HD3  ARG  11           HD3      ARG  11  -3.686  -9.421   3.436
   96    HE   ARG  11           HE       ARG  11  -3.322 -11.576   2.590
   97   HH11  ARG  11          HH11      ARG  11  -6.705 -10.646   2.155
   98   HH12  ARG  11          HH12      ARG  11  -7.038 -11.962   1.050
   99   HH21  ARG  11          HH21      ARG  11  -3.785 -13.266   1.158
  100   HH22  ARG  11          HH22      ARG  11  -5.389 -13.437   0.485
  101    H    LEU  12           H        LEU  12  -2.484 -10.967   8.423
  102    HA   LEU  12           HA       LEU  12  -1.514 -13.710   8.601
  103    HB2  LEU  12           HB2      LEU  12   0.033 -11.870   8.531
  104    HB3  LEU  12           HB3      LEU  12  -0.721 -11.078   9.914
  105    HG   LEU  12           HG       LEU  12   0.375 -13.860  10.290
  106   HD11  LEU  12          HD11      LEU  12   2.033 -11.309  10.207
  107   HD12  LEU  12          HD12      LEU  12   2.604 -12.905  10.746
  108   HD13  LEU  12          HD13      LEU  12   2.137 -12.652   9.047
  109   HD21  LEU  12          HD21      LEU  12   0.348 -11.334  12.012
  110   HD22  LEU  12          HD22      LEU  12  -0.773 -12.703  12.186
  111   HD23  LEU  12          HD23      LEU  12   0.953 -12.923  12.522
  112    H    GLN  13           H        GLN  13  -3.555 -11.547  10.521
  113    HA   GLN  13           HA       GLN  13  -3.519 -13.266  12.872
  114    HB2  GLN  13           HB2      GLN  13  -3.819 -10.858  13.085
  115    HB3  GLN  13           HB3      GLN  13  -5.263 -10.903  12.051
  116    HG2  GLN  13           HG2      GLN  13  -6.472 -12.247  13.684
  117    HG3  GLN  13           HG3      GLN  13  -5.012 -12.383  14.687
  118   HE21  GLN  13          HE21      GLN  13  -6.964 -11.505  16.147
  119   HE22  GLN  13          HE22      GLN  13  -6.959  -9.764  16.346
  120    H    ASP  14           H        ASP  14  -5.669 -12.717  10.071
  121    HA   ASP  14           HA       ASP  14  -7.636 -14.596  11.032
  122    HB2  ASP  14           HB2      ASP  14  -7.312 -13.114   8.431
  123    HB3  ASP  14           HB3      ASP  14  -8.579 -14.314   8.690
  124    HN1  NH2  15           HN1      NH2  15  -4.619 -15.297  10.017
  125    HN2  NH2  15           HN2      NH2  15  -4.931 -16.864   9.287
  Start of MODEL    7
    1    H1   TRP   1           H1       TRP   1  -0.715   1.718  -1.849
    2    H2   TRP   1           H2       TRP   1   0.661   0.886  -2.190
    3    H3   TRP   1           H3       TRP   1   0.304   2.258  -3.027
    4    HA   TRP   1           HA       TRP   1   2.034   2.669  -1.453
    5    HB2  TRP   1           HB2      TRP   1   0.437   4.452  -2.064
    6    HB3  TRP   1           HB3      TRP   1  -0.604   3.981  -0.729
    7    HD1  TRP   1           HD1      TRP   1   2.816   5.558  -1.430
    8    HE1  TRP   1           HE1      TRP   1   3.574   6.953   0.559
    9    HE3  TRP   1           HE3      TRP   1  -0.934   4.385   1.840
   10    HZ2  TRP   1           HZ2      TRP   1   2.692   7.467   3.269
   11    HZ3  TRP   1           HZ3      TRP   1  -0.937   5.333   4.127
   12    HH2  TRP   1           HH2      TRP   1   0.874   6.865   4.859
   13    H    TYR   2           H        TYR   2   2.225   3.296   1.021
   14    HA   TYR   2           HA       TYR   2   2.416   0.864   2.295
   15    HB2  TYR   2           HB2      TYR   2   3.948   2.411   2.920
   16    HB3  TYR   2           HB3      TYR   2   2.743   3.677   3.174
   17    HD1  TYR   2           HD1      TYR   2   1.415   3.824   5.196
   18    HD2  TYR   2           HD2      TYR   2   4.455   0.826   4.716
   19    HE1  TYR   2           HE1      TYR   2   1.340   3.381   7.625
   20    HE2  TYR   2           HE2      TYR   2   4.400   0.378   7.159
   21    HH   TYR   2           HH       TYR   2   2.190   2.142   9.365
   22    H    HIS   3           H        HIS   3  -0.556   2.571   2.212
   23    HA   HIS   3           HA       HIS   3  -1.561   1.816   4.768
   24    HB2  HIS   3           HB2      HIS   3  -3.762   2.225   3.799
   25    HB3  HIS   3           HB3      HIS   3  -2.616   3.480   3.302
   26    HD2  HIS   3           HD2      HIS   3  -2.892   4.143   0.846
   27    HE1  HIS   3           HE1      HIS   3  -4.321   0.473  -0.765
   28    HE2  HIS   3           HE2      HIS   3  -3.722   2.899  -1.302
   29    H    ARG   4           H        ARG   4  -0.833  -0.093   1.986
   30    HA   ARG   4           HA       ARG   4  -2.701  -2.229   2.440
   31    HB2  ARG   4           HB2      ARG   4  -0.081  -1.951   0.937
   32    HB3  ARG   4           HB3      ARG   4  -0.867  -3.528   1.090
   33    HG2  ARG   4           HG2      ARG   4  -2.207  -1.062  -0.085
   34    HG3  ARG   4           HG3      ARG   4  -1.452  -2.368  -1.019
   35    HD2  ARG   4           HD2      ARG   4  -2.983  -4.000   0.116
   36    HD3  ARG   4           HD3      ARG   4  -3.820  -2.647   0.877
   37    HE   ARG   4           HE       ARG   4  -3.645  -3.079  -2.094
   38   HH11  ARG   4          HH11      ARG   4  -5.456  -1.972   0.749
   39   HH12  ARG   4          HH12      ARG   4  -6.880  -1.576  -0.186
   40   HH21  ARG   4          HH21      ARG   4  -5.505  -2.542  -3.262
   41   HH22  ARG   4          HH22      ARG   4  -6.902  -1.885  -2.435
   42    H    LEU   5           H        LEU   5   0.101  -1.324   4.254
   43    HA   LEU   5           HA       LEU   5   0.838  -3.990   5.054
   44    HB2  LEU   5           HB2      LEU   5   1.304  -1.164   6.043
   45    HB3  LEU   5           HB3      LEU   5   1.625  -2.488   7.157
   46    HG   LEU   5           HG       LEU   5   3.643  -1.742   5.933
   47   HD11  LEU   5          HD11      LEU   5   2.794  -4.579   5.228
   48   HD12  LEU   5          HD12      LEU   5   4.457  -3.962   5.332
   49   HD13  LEU   5          HD13      LEU   5   3.453  -4.045   6.797
   50   HD21  LEU   5          HD21      LEU   5   3.938  -2.299   3.564
   51   HD22  LEU   5          HD22      LEU   5   2.268  -2.885   3.463
   52   HD23  LEU   5          HD23      LEU   5   2.589  -1.158   3.772
   53    H    SER   6           H        SER   6  -1.488  -1.593   6.252
   54    HA   SER   6           HA       SER   6  -2.259  -3.022   8.610
   55    HB2  SER   6           HB2      SER   6  -3.782  -1.026   6.886
   56    HB3  SER   6           HB3      SER   6  -4.260  -1.557   8.513
   57    HG   SER   6           HG       SER   6  -3.061   0.398   8.541
   58    H    HIS   7           H        HIS   7  -2.668  -3.838   5.322
   59    HA   HIS   7           HA       HIS   7  -5.175  -5.340   5.817
   60    HB2  HIS   7           HB2      HIS   7  -4.669  -3.826   3.774
   61    HB3  HIS   7           HB3      HIS   7  -3.610  -5.126   3.228
   62    HD2  HIS   7           HD2      HIS   7  -7.166  -4.020   3.122
   63    HE1  HIS   7           HE1      HIS   7  -7.300  -8.119   1.993
   64    HE2  HIS   7           HE2      HIS   7  -8.620  -5.945   2.099
   65    H    ILE   8           H        ILE   8  -1.708  -5.738   5.127
   66    HA   ILE   8           HA       ILE   8  -1.887  -8.594   4.679
   67    HB   ILE   8           HB       ILE   8   0.408  -6.683   5.203
   68   HG12  ILE   8          HG12      ILE   8  -0.445  -8.158   2.676
   69   HG13  ILE   8          HG13      ILE   8  -0.920  -6.497   3.054
   70   HG21  ILE   8          HG21      ILE   8   0.518  -9.630   4.423
   71   HG22  ILE   8          HG22      ILE   8   1.911  -8.532   4.498
   72   HG23  ILE   8          HG23      ILE   8   1.047  -8.952   5.980
   73   HD11  ILE   8          HD11      ILE   8   0.991  -6.448   1.561
   74   HD12  ILE   8          HD12      ILE   8   1.472  -5.829   3.155
   75   HD13  ILE   8          HD13      ILE   8   1.932  -7.477   2.653
   76    H    HIS   9           H        HIS   9  -0.933  -6.508   7.461
   77    HA   HIS   9           HA       HIS   9  -0.274  -8.770   9.130
   78    HB2  HIS   9           HB2      HIS   9  -0.774  -5.829   9.673
   79    HB3  HIS   9           HB3      HIS   9  -0.366  -6.995  10.943
   80    HD2  HIS   9           HD2      HIS   9   2.115  -6.966  11.528
   81    HE1  HIS   9           HE1      HIS   9   3.788  -6.068   7.720
   82    HE2  HIS   9           HE2      HIS   9   4.319  -6.558  10.168
   83    H    SER  10           H        SER  10  -3.316  -7.101   8.417
   84    HA   SER  10           HA       SER  10  -4.632  -8.241  10.763
   85    HB2  SER  10           HB2      SER  10  -6.664  -7.295   9.805
   86    HB3  SER  10           HB3      SER  10  -5.353  -6.094   9.743
   87    HG   SER  10           HG       SER  10  -6.492  -6.224   7.779
   88    H    ARG  11           H        ARG  11  -4.111  -9.123   7.359
   89    HA   ARG  11           HA       ARG  11  -6.020 -11.296   7.343
   90    HB2  ARG  11           HB2      ARG  11  -5.242 -10.160   5.310
   91    HB3  ARG  11           HB3      ARG  11  -3.580 -10.698   5.622
   92    HG2  ARG  11           HG2      ARG  11  -4.269 -13.053   5.382
   93    HG3  ARG  11           HG3      ARG  11  -5.956 -12.546   5.150
   94    HD2  ARG  11           HD2      ARG  11  -5.301 -11.293   3.118
   95    HD3  ARG  11           HD3      ARG  11  -3.619 -11.755   3.366
   96    HE   ARG  11           HE       ARG  11  -4.110 -13.992   2.744
   97   HH11  ARG  11          HH11      ARG  11  -6.978 -11.928   2.614
   98   HH12  ARG  11          HH12      ARG  11  -7.887 -13.072   1.647
   99   HH21  ARG  11          HH21      ARG  11  -5.304 -15.433   1.477
  100   HH22  ARG  11          HH22      ARG  11  -6.935 -15.036   0.985
  101    H    LEU  12           H        LEU  12  -2.620 -10.908   8.260
  102    HA   LEU  12           HA       LEU  12  -2.092 -13.741   8.575
  103    HB2  LEU  12           HB2      LEU  12  -0.312 -12.198   8.127
  104    HB3  LEU  12           HB3      LEU  12  -0.718 -11.187   9.510
  105    HG   LEU  12           HG       LEU  12  -0.025 -14.078  10.023
  106   HD11  LEU  12          HD11      LEU  12   1.707 -13.303   8.432
  107   HD12  LEU  12          HD12      LEU  12   1.993 -11.869   9.444
  108   HD13  LEU  12          HD13      LEU  12   2.375 -13.497  10.067
  109   HD21  LEU  12          HD21      LEU  12   0.653 -11.467  11.456
  110   HD22  LEU  12          HD22      LEU  12  -0.662 -12.562  11.922
  111   HD23  LEU  12          HD23      LEU  12   1.019 -13.107  12.039
  112    H    GLN  13           H        GLN  13  -3.486 -11.173  10.570
  113    HA   GLN  13           HA       GLN  13  -3.288 -12.688  13.049
  114    HB2  GLN  13           HB2      GLN  13  -3.271 -10.246  13.071
  115    HB3  GLN  13           HB3      GLN  13  -4.819 -10.192  12.227
  116    HG2  GLN  13           HG2      GLN  13  -5.169  -9.738  14.589
  117    HG3  GLN  13           HG3      GLN  13  -5.924 -11.272  14.178
  118   HE21  GLN  13          HE21      GLN  13  -5.785 -11.453  16.626
  119   HE22  GLN  13          HE22      GLN  13  -4.322 -12.141  17.303
  120    H    ASP  14           H        ASP  14  -5.641 -12.307  10.436
  121    HA   ASP  14           HA       ASP  14  -7.763 -13.629  11.882
  122    HB2  ASP  14           HB2      ASP  14  -7.462 -12.737   9.022
  123    HB3  ASP  14           HB3      ASP  14  -8.874 -13.637   9.597
  124    HN1  NH2  15           HN1      NH2  15  -4.984 -14.985  10.820
  125    HN2  NH2  15           HN2      NH2  15  -5.590 -16.588  10.445
  Start of MODEL    8
    1    H1   TRP   1           H1       TRP   1   5.413   3.721  -2.639
    2    H2   TRP   1           H2       TRP   1   3.842   4.135  -2.385
    3    H3   TRP   1           H3       TRP   1   4.211   2.663  -3.023
    4    HA   TRP   1           HA       TRP   1   5.297   1.989  -1.010
    5    HB2  TRP   1           HB2      TRP   1   6.014   4.227  -0.309
    6    HB3  TRP   1           HB3      TRP   1   4.329   4.674  -0.032
    7    HD1  TRP   1           HD1      TRP   1   7.016   2.320   1.393
    8    HE1  TRP   1           HE1      TRP   1   6.510   1.835   3.840
    9    HE3  TRP   1           HE3      TRP   1   2.515   4.721   1.771
   10    HZ2  TRP   1           HZ2      TRP   1   4.422   2.433   5.752
   11    HZ3  TRP   1           HZ3      TRP   1   1.302   4.761   3.923
   12    HH2  TRP   1           HH2      TRP   1   2.233   3.612   5.918
   13    H    TYR   2           H        TYR   2   4.086   0.510   0.091
   14    HA   TYR   2           HA       TYR   2   1.247   0.690  -0.362
   15    HB2  TYR   2           HB2      TYR   2   2.964  -1.506   0.672
   16    HB3  TYR   2           HB3      TYR   2   1.195  -1.540   0.811
   17    HD1  TYR   2           HD1      TYR   2  -0.123  -0.855  -1.398
   18    HD2  TYR   2           HD2      TYR   2   3.862  -2.476  -1.284
   19    HE1  TYR   2           HE1      TYR   2  -0.376  -1.624  -3.736
   20    HE2  TYR   2           HE2      TYR   2   3.609  -3.271  -3.622
   21    HH   TYR   2           HH       TYR   2   0.602  -2.707  -5.497
   22    H    HIS   3           H        HIS   3   0.107   2.015   0.687
   23    HA   HIS   3           HA       HIS   3   0.386   2.480   3.541
   24    HB2  HIS   3           HB2      HIS   3  -1.603   3.905   3.172
   25    HB3  HIS   3           HB3      HIS   3  -0.301   4.182   1.982
   26    HD2  HIS   3           HD2      HIS   3  -0.973   4.175  -0.490
   27    HE1  HIS   3           HE1      HIS   3  -4.754   2.242  -0.208
   28    HE2  HIS   3           HE2      HIS   3  -3.119   3.409  -1.783
   29    H    ARG   4           H        ARG   4  -1.284   0.161   1.589
   30    HA   ARG   4           HA       ARG   4  -3.319  -0.494   3.575
   31    HB2  ARG   4           HB2      ARG   4  -3.880  -2.327   2.084
   32    HB3  ARG   4           HB3      ARG   4  -3.771  -0.811   1.174
   33    HG2  ARG   4           HG2      ARG   4  -1.760  -1.439   0.121
   34    HG3  ARG   4           HG3      ARG   4  -1.354  -2.628   1.376
   35    HD2  ARG   4           HD2      ARG   4  -3.206  -4.058   0.683
   36    HD3  ARG   4           HD3      ARG   4  -3.660  -2.898  -0.583
   37    HE   ARG   4           HE       ARG   4  -1.318  -3.304  -1.521
   38   HH11  ARG   4          HH11      ARG   4  -3.065  -5.788   0.289
   39   HH12  ARG   4          HH12      ARG   4  -2.211  -7.106  -0.486
   40   HH21  ARG   4          HH21      ARG   4  -0.243  -5.040  -2.516
   41   HH22  ARG   4          HH22      ARG   4  -0.626  -6.683  -2.059
   42    H    LEU   5           H        LEU   5  -0.345  -0.645   4.314
   43    HA   LEU   5           HA       LEU   5   0.485  -3.332   4.427
   44    HB2  LEU   5           HB2      LEU   5   1.961  -1.423   4.832
   45    HB3  LEU   5           HB3      LEU   5   1.036  -0.977   6.271
   46    HG   LEU   5           HG       LEU   5   1.713  -3.083   7.385
   47   HD11  LEU   5          HD11      LEU   5   3.376  -3.481   4.854
   48   HD12  LEU   5          HD12      LEU   5   3.542  -4.435   6.344
   49   HD13  LEU   5          HD13      LEU   5   2.037  -4.517   5.405
   50   HD21  LEU   5          HD21      LEU   5   4.077  -2.485   7.710
   51   HD22  LEU   5          HD22      LEU   5   4.030  -1.473   6.243
   52   HD23  LEU   5          HD23      LEU   5   3.052  -1.034   7.661
   53    H    SER   6           H        SER   6  -1.872  -1.602   6.428
   54    HA   SER   6           HA       SER   6  -1.854  -3.421   8.632
   55    HB2  SER   6           HB2      SER   6  -3.988  -2.341   9.197
   56    HB3  SER   6           HB3      SER   6  -2.775  -1.135   8.717
   57    HG   SER   6           HG       SER   6  -4.814  -0.808   7.716
   58    H    HIS   7           H        HIS   7  -3.099  -3.725   5.389
   59    HA   HIS   7           HA       HIS   7  -5.193  -5.630   6.009
   60    HB2  HIS   7           HB2      HIS   7  -4.983  -4.092   3.983
   61    HB3  HIS   7           HB3      HIS   7  -3.725  -5.177   3.390
   62    HD2  HIS   7           HD2      HIS   7  -7.431  -4.684   3.401
   63    HE1  HIS   7           HE1      HIS   7  -6.881  -8.672   2.025
   64    HE2  HIS   7           HE2      HIS   7  -8.556  -6.766   2.277
   65    H    ILE   8           H        ILE   8  -1.712  -5.753   5.335
   66    HA   ILE   8           HA       ILE   8  -1.676  -8.586   4.796
   67    HB   ILE   8           HB       ILE   8   0.508  -6.602   5.526
   68   HG12  ILE   8          HG12      ILE   8  -0.404  -7.805   2.872
   69   HG13  ILE   8          HG13      ILE   8  -0.694  -6.143   3.405
   70   HG21  ILE   8          HG21      ILE   8   0.750  -9.448   4.460
   71   HG22  ILE   8          HG22      ILE   8   2.093  -8.306   4.711
   72   HG23  ILE   8          HG23      ILE   8   1.187  -8.911   6.098
   73   HD11  ILE   8          HD11      ILE   8   2.014  -7.392   2.804
   74   HD12  ILE   8          HD12      ILE   8   1.168  -6.148   1.862
   75   HD13  ILE   8          HD13      ILE   8   1.772  -5.763   3.482
   76    H    HIS   9           H        HIS   9  -1.187  -6.532   7.690
   77    HA   HIS   9           HA       HIS   9  -0.388  -8.738   9.379
   78    HB2  HIS   9           HB2      HIS   9  -1.380  -5.929   9.955
   79    HB3  HIS   9           HB3      HIS   9  -0.875  -7.072  11.204
   80    HD2  HIS   9           HD2      HIS   9   1.569  -6.787  11.950
   81    HE1  HIS   9           HE1      HIS   9   3.247  -5.146   8.407
   82    HE2  HIS   9           HE2      HIS   9   3.728  -5.851  10.804
   83    H    SER  10           H        SER  10  -3.541  -7.309   8.485
   84    HA   SER  10           HA       SER  10  -4.935  -8.667  10.637
   85    HB2  SER  10           HB2      SER  10  -6.947  -7.883   9.543
   86    HB3  SER  10           HB3      SER  10  -5.745  -6.577   9.561
   87    HG   SER  10           HG       SER  10  -6.809  -6.884   7.521
   88    H    ARG  11           H        ARG  11  -3.897  -9.516   7.376
   89    HA   ARG  11           HA       ARG  11  -5.660 -11.785   7.084
   90    HB2  ARG  11           HB2      ARG  11  -4.562 -10.618   5.197
   91    HB3  ARG  11           HB3      ARG  11  -2.976 -11.145   5.786
   92    HG2  ARG  11           HG2      ARG  11  -3.627 -13.512   5.477
   93    HG3  ARG  11           HG3      ARG  11  -5.245 -13.000   4.946
   94    HD2  ARG  11           HD2      ARG  11  -3.897 -13.517   2.992
   95    HD3  ARG  11           HD3      ARG  11  -4.211 -11.779   3.047
   96    HE   ARG  11           HE       ARG  11  -1.663 -12.845   4.170
   97   HH11  ARG  11          HH11      ARG  11  -3.321 -10.990   1.644
   98   HH12  ARG  11          HH12      ARG  11  -1.839 -10.259   1.064
   99   HH21  ARG  11          HH21      ARG  11   0.227 -11.875   3.387
  100   HH22  ARG  11          HH22      ARG  11   0.158 -10.769   2.032
  101    H    LEU  12           H        LEU  12  -2.479 -11.222   8.536
  102    HA   LEU  12           HA       LEU  12  -1.939 -14.041   9.003
  103    HB2  LEU  12           HB2      LEU  12  -0.135 -12.493   8.701
  104    HB3  LEU  12           HB3      LEU  12  -0.712 -11.436   9.990
  105    HG   LEU  12           HG       LEU  12  -0.050 -14.302  10.683
  106   HD11  LEU  12          HD11      LEU  12   2.312 -13.665  11.003
  107   HD12  LEU  12          HD12      LEU  12   1.836 -13.564   9.292
  108   HD13  LEU  12          HD13      LEU  12   1.990 -12.083  10.267
  109   HD21  LEU  12          HD21      LEU  12   0.382 -11.610  12.073
  110   HD22  LEU  12          HD22      LEU  12  -0.952 -12.732  12.427
  111   HD23  LEU  12          HD23      LEU  12   0.726 -13.208  12.773
  112    H    GLN  13           H        GLN  13  -3.593 -11.413  10.694
  113    HA   GLN  13           HA       GLN  13  -3.665 -12.757  13.260
  114    HB2  GLN  13           HB2      GLN  13  -3.776 -10.316  13.052
  115    HB3  GLN  13           HB3      GLN  13  -5.247 -10.449  12.080
  116    HG2  GLN  13           HG2      GLN  13  -5.827  -9.827  14.350
  117    HG3  GLN  13           HG3      GLN  13  -6.438 -11.448  14.028
  118   HE21  GLN  13          HE21      GLN  13  -6.507 -11.399  16.484
  119   HE22  GLN  13          HE22      GLN  13  -5.067 -11.919  17.333
  120    H    ASP  14           H        ASP  14  -5.657 -12.751  10.342
  121    HA   ASP  14           HA       ASP  14  -7.878 -14.082  11.624
  122    HB2  ASP  14           HB2      ASP  14  -7.279 -13.368   8.757
  123    HB3  ASP  14           HB3      ASP  14  -8.685 -14.328   9.226
  124    HN1  NH2  15           HN1      NH2  15  -4.911 -15.325  11.017
  125    HN2  NH2  15           HN2      NH2  15  -5.370 -16.981  10.688
  Start of MODEL    9
    1    H1   TRP   1           H1       TRP   1   1.529   6.827   0.443
    2    H2   TRP   1           H2       TRP   1   1.848   8.036   1.515
    3    H3   TRP   1           H3       TRP   1   0.329   7.405   1.405
    4    HA   TRP   1           HA       TRP   1   2.725   5.966   2.297
    5    HB2  TRP   1           HB2      TRP   1   2.026   7.625   3.940
    6    HB3  TRP   1           HB3      TRP   1   0.363   7.033   3.853
    7    HD1  TRP   1           HD1      TRP   1   3.816   5.952   5.120
    8    HE1  TRP   1           HE1      TRP   1   3.543   4.207   6.960
    9    HE3  TRP   1           HE3      TRP   1  -1.244   5.296   4.855
   10    HZ2  TRP   1           HZ2      TRP   1   1.390   2.710   8.187
   11    HZ3  TRP   1           HZ3      TRP   1  -2.383   3.725   6.392
   12    HH2  TRP   1           HH2      TRP   1  -1.077   2.421   8.055
   13    H    TYR   2           H        TYR   2   2.581   3.781   2.420
   14    HA   TYR   2           HA       TYR   2   0.241   2.646   1.202
   15    HB2  TYR   2           HB2      TYR   2   2.855   1.461   1.978
   16    HB3  TYR   2           HB3      TYR   2   1.455   0.460   1.558
   17    HD1  TYR   2           HD1      TYR   2   0.172   1.076  -0.614
   18    HD2  TYR   2           HD2      TYR   2   4.239   2.200   0.195
   19    HE1  TYR   2           HE1      TYR   2   0.545   1.417  -3.041
   20    HE2  TYR   2           HE2      TYR   2   4.630   2.539  -2.233
   21    HH   TYR   2           HH       TYR   2   2.052   1.986  -4.661
   22    H    HIS   3           H        HIS   3  -1.534   2.635   2.222
   23    HA   HIS   3           HA       HIS   3  -1.786   1.791   4.992
   24    HB2  HIS   3           HB2      HIS   3  -4.193   2.102   4.523
   25    HB3  HIS   3           HB3      HIS   3  -3.182   3.467   3.963
   26    HD2  HIS   3           HD2      HIS   3  -3.546   4.251   1.539
   27    HE1  HIS   3           HE1      HIS   3  -5.625   0.878   0.001
   28    HE2  HIS   3           HE2      HIS   3  -4.813   3.238  -0.516
   29    H    ARG   4           H        ARG   4  -1.615   0.153   1.960
   30    HA   ARG   4           HA       ARG   4  -3.140  -2.185   2.679
   31    HB2  ARG   4           HB2      ARG   4  -1.143  -1.451   0.538
   32    HB3  ARG   4           HB3      ARG   4  -1.541  -3.157   0.783
   33    HG2  ARG   4           HG2      ARG   4  -3.647  -1.014   0.320
   34    HG3  ARG   4           HG3      ARG   4  -2.945  -2.029  -0.957
   35    HD2  ARG   4           HD2      ARG   4  -3.665  -4.065   0.312
   36    HD3  ARG   4           HD3      ARG   4  -4.470  -3.027   1.487
   37    HE   ARG   4           HE       ARG   4  -6.055  -2.343  -0.173
   38   HH11  ARG   4          HH11      ARG   4  -3.892  -4.919  -1.290
   39   HH12  ARG   4          HH12      ARG   4  -4.964  -5.387  -2.592
   40   HH21  ARG   4          HH21      ARG   4  -7.405  -2.986  -1.868
   41   HH22  ARG   4          HH22      ARG   4  -6.944  -4.321  -2.900
   42    H    LEU   5           H        LEU   5  -0.137  -1.065   3.882
   43    HA   LEU   5           HA       LEU   5   1.118  -3.627   4.179
   44    HB2  LEU   5           HB2      LEU   5   2.312  -1.492   4.233
   45    HB3  LEU   5           HB3      LEU   5   1.463  -1.005   5.698
   46    HG   LEU   5           HG       LEU   5   3.839  -1.786   5.958
   47   HD11  LEU   5          HD11      LEU   5   1.846  -3.384   7.600
   48   HD12  LEU   5          HD12      LEU   5   3.500  -2.932   8.039
   49   HD13  LEU   5          HD13      LEU   5   2.263  -1.676   7.867
   50   HD21  LEU   5          HD21      LEU   5   3.742  -3.705   4.396
   51   HD22  LEU   5          HD22      LEU   5   4.316  -4.175   6.006
   52   HD23  LEU   5          HD23      LEU   5   2.651  -4.554   5.524
   53    H    SER   6           H        SER   6  -1.013  -1.650   6.292
   54    HA   SER   6           HA       SER   6  -0.935  -3.498   8.484
   55    HB2  SER   6           HB2      SER   6  -1.536  -1.125   8.723
   56    HB3  SER   6           HB3      SER   6  -2.988  -1.377   7.738
   57    HG   SER   6           HG       SER   6  -3.743  -2.814   9.318
   58    H    HIS   7           H        HIS   7  -2.565  -3.573   5.419
   59    HA   HIS   7           HA       HIS   7  -4.842  -5.148   6.218
   60    HB2  HIS   7           HB2      HIS   7  -4.496  -3.749   4.094
   61    HB3  HIS   7           HB3      HIS   7  -3.470  -5.061   3.502
   62    HD2  HIS   7           HD2      HIS   7  -7.013  -3.942   3.562
   63    HE1  HIS   7           HE1      HIS   7  -7.226  -8.070   2.551
   64    HE2  HIS   7           HE2      HIS   7  -8.529  -5.883   2.663
   65    H    ILE   8           H        ILE   8  -1.488  -5.833   5.218
   66    HA   ILE   8           HA       ILE   8  -1.899  -8.651   4.818
   67    HB   ILE   8           HB       ILE   8   0.591  -6.974   5.289
   68   HG12  ILE   8          HG12      ILE   8  -0.571  -8.180   2.740
   69   HG13  ILE   8          HG13      ILE   8  -0.836  -6.508   3.250
   70   HG21  ILE   8          HG21      ILE   8   1.025  -9.322   5.896
   71   HG22  ILE   8          HG22      ILE   8   0.365  -9.859   4.330
   72   HG23  ILE   8          HG23      ILE   8   1.858  -8.895   4.399
   73   HD11  ILE   8          HD11      ILE   8   0.970  -6.549   1.633
   74   HD12  ILE   8          HD12      ILE   8   1.620  -6.114   3.230
   75   HD13  ILE   8          HD13      ILE   8   1.853  -7.761   2.577
   76    H    HIS   9           H        HIS   9  -0.884  -6.630   7.604
   77    HA   HIS   9           HA       HIS   9  -0.336  -8.893   9.314
   78    HB2  HIS   9           HB2      HIS   9  -1.015  -5.993   9.921
   79    HB3  HIS   9           HB3      HIS   9  -0.519  -7.181  11.128
   80    HD2  HIS   9           HD2      HIS   9   1.979  -7.125  11.690
   81    HE1  HIS   9           HE1      HIS   9   3.534  -5.577   8.048
   82    HE2  HIS   9           HE2      HIS   9   4.127  -6.338  10.407
   83    H    SER  10           H        SER  10  -3.247  -7.100   8.391
   84    HA   SER  10           HA       SER  10  -4.896  -8.161  10.533
   85    HB2  SER  10           HB2      SER  10  -5.635  -6.939   7.838
   86    HB3  SER  10           HB3      SER  10  -6.762  -7.287   9.163
   87    HG   SER  10           HG       SER  10  -4.571  -5.489   9.186
   88    H    ARG  11           H        ARG  11  -3.976  -9.209   7.265
   89    HA   ARG  11           HA       ARG  11  -5.928 -11.342   7.111
   90    HB2  ARG  11           HB2      ARG  11  -4.913 -10.294   5.146
   91    HB3  ARG  11           HB3      ARG  11  -3.302 -10.858   5.639
   92    HG2  ARG  11           HG2      ARG  11  -4.016 -13.204   5.400
   93    HG3  ARG  11           HG3      ARG  11  -5.667 -12.673   5.001
   94    HD2  ARG  11           HD2      ARG  11  -4.807 -11.492   3.011
   95    HD3  ARG  11           HD3      ARG  11  -3.158 -11.996   3.418
   96    HE   ARG  11           HE       ARG  11  -5.361 -13.699   2.381
   97   HH11  ARG  11          HH11      ARG  11  -2.004 -13.474   3.482
   98   HH12  ARG  11          HH12      ARG  11  -1.556 -15.011   2.780
   99   HH21  ARG  11          HH21      ARG  11  -4.741 -15.704   1.499
  100   HH22  ARG  11          HH22      ARG  11  -3.088 -16.257   1.664
  101    H    LEU  12           H        LEU  12  -2.621 -10.993   8.359
  102    HA   LEU  12           HA       LEU  12  -2.220 -13.817   8.831
  103    HB2  LEU  12           HB2      LEU  12  -0.367 -12.329   8.494
  104    HB3  LEU  12           HB3      LEU  12  -0.863 -11.274   9.821
  105    HG   LEU  12           HG       LEU  12  -0.295 -14.165  10.447
  106   HD11  LEU  12          HD11      LEU  12   2.110 -13.617  10.693
  107   HD12  LEU  12          HD12      LEU  12   1.582 -13.486   9.002
  108   HD13  LEU  12          HD13      LEU  12   1.818 -12.017   9.978
  109   HD21  LEU  12          HD21      LEU  12   0.595 -13.152  12.532
  110   HD22  LEU  12          HD22      LEU  12   0.317 -11.524  11.869
  111   HD23  LEU  12          HD23      LEU  12  -1.058 -12.590  12.251
  112    H    GLN  13           H        GLN  13  -3.718 -11.142  10.588
  113    HA   GLN  13           HA       GLN  13  -3.786 -12.548  13.127
  114    HB2  GLN  13           HB2      GLN  13  -3.724 -10.099  13.012
  115    HB3  GLN  13           HB3      GLN  13  -5.218 -10.078  12.071
  116    HG2  GLN  13           HG2      GLN  13  -5.721  -9.502  14.377
  117    HG3  GLN  13           HG3      GLN  13  -6.459 -11.050  13.986
  118   HE21  GLN  13          HE21      GLN  13  -6.514 -11.156  16.434
  119   HE22  GLN  13          HE22      GLN  13  -5.099 -11.807  17.237
  120    H    ASP  14           H        ASP  14  -5.861 -12.290  10.279
  121    HA   ASP  14           HA       ASP  14  -8.125 -13.520  11.592
  122    HB2  ASP  14           HB2      ASP  14  -7.575 -12.710   8.743
  123    HB3  ASP  14           HB3      ASP  14  -9.021 -13.614   9.207
  124    HN1  NH2  15           HN1      NH2  15  -5.280 -14.935  10.864
  125    HN2  NH2  15           HN2      NH2  15  -5.857 -16.540  10.461
  Start of MODEL   10
    1    H1   TRP   1           H1       TRP   1   3.694   6.758   0.743
    2    H2   TRP   1           H2       TRP   1   4.335   5.667  -0.308
    3    H3   TRP   1           H3       TRP   1   5.328   6.636   0.581
    4    HA   TRP   1           HA       TRP   1   5.310   4.422   1.468
    5    HB2  TRP   1           HB2      TRP   1   5.656   6.293   2.999
    6    HB3  TRP   1           HB3      TRP   1   3.902   6.471   3.173
    7    HD1  TRP   1           HD1      TRP   1   6.710   4.022   4.104
    8    HE1  TRP   1           HE1      TRP   1   6.007   2.658   6.138
    9    HE3  TRP   1           HE3      TRP   1   1.891   5.677   4.555
   10    HZ2  TRP   1           HZ2      TRP   1   3.649   2.321   7.778
   11    HZ3  TRP   1           HZ3      TRP   1   0.455   4.835   6.388
   12    HH2  TRP   1           HH2      TRP   1   1.313   3.163   7.996
   13    H    TYR   2           H        TYR   2   4.226   2.538   1.781
   14    HA   TYR   2           HA       TYR   2   1.452   2.592   1.010
   15    HB2  TYR   2           HB2      TYR   2   3.334   0.339   1.491
   16    HB3  TYR   2           HB3      TYR   2   1.586   0.094   1.351
   17    HD1  TYR   2           HD1      TYR   2   0.420   1.334  -0.671
   18    HD2  TYR   2           HD2      TYR   2   4.587   0.266  -0.522
   19    HE1  TYR   2           HE1      TYR   2   0.530   1.433  -3.145
   20    HE2  TYR   2           HE2      TYR   2   4.699   0.351  -2.998
   21    HH   TYR   2           HH       TYR   2   3.559   0.749  -4.939
   22    H    HIS   3           H        HIS   3   0.021   3.349   2.267
   23    HA   HIS   3           HA       HIS   3  -0.052   2.794   5.120
   24    HB2  HIS   3           HB2      HIS   3  -2.151   4.098   4.976
   25    HB3  HIS   3           HB3      HIS   3  -0.778   4.883   4.154
   26    HD2  HIS   3           HD2      HIS   3  -1.170   5.681   1.749
   27    HE1  HIS   3           HE1      HIS   3  -4.697   3.482   0.830
   28    HE2  HIS   3           HE2      HIS   3  -3.065   5.249  -0.015
   29    H    ARG   4           H        ARG   4  -1.254   1.211   2.267
   30    HA   ARG   4           HA       ARG   4  -3.370  -0.239   3.653
   31    HB2  ARG   4           HB2      ARG   4  -3.653  -1.420   1.520
   32    HB3  ARG   4           HB3      ARG   4  -3.698   0.335   1.367
   33    HG2  ARG   4           HG2      ARG   4  -2.482  -0.477  -0.477
   34    HG3  ARG   4           HG3      ARG   4  -1.292   0.279   0.591
   35    HD2  ARG   4           HD2      ARG   4  -0.556  -1.911   1.395
   36    HD3  ARG   4           HD3      ARG   4  -1.860  -2.716   0.502
   37    HE   ARG   4           HE       ARG   4   0.631  -1.558  -0.590
   38   HH11  ARG   4          HH11      ARG   4  -2.490  -3.087  -1.243
   39   HH12  ARG   4          HH12      ARG   4  -2.049  -3.546  -2.875
   40   HH21  ARG   4          HH21      ARG   4   1.164  -2.152  -2.712
   41   HH22  ARG   4          HH22      ARG   4   0.012  -3.025  -3.697
   42    H    LEU   5           H        LEU   5  -0.257  -0.460   4.268
   43    HA   LEU   5           HA       LEU   5   0.501  -3.132   3.732
   44    HB2  LEU   5           HB2      LEU   5   2.085  -1.415   4.412
   45    HB3  LEU   5           HB3      LEU   5   1.237  -1.184   5.945
   46    HG   LEU   5           HG       LEU   5   1.861  -3.483   6.643
   47   HD11  LEU   5          HD11      LEU   5   3.433  -3.492   4.027
   48   HD12  LEU   5          HD12      LEU   5   3.563  -4.715   5.313
   49   HD13  LEU   5          HD13      LEU   5   2.050  -4.545   4.408
   50   HD21  LEU   5          HD21      LEU   5   4.258  -3.032   6.949
   51   HD22  LEU   5          HD22      LEU   5   4.193  -1.771   5.690
   52   HD23  LEU   5          HD23      LEU   5   3.297  -1.565   7.212
   53    H    SER   6           H        SER   6  -1.689  -1.805   6.164
   54    HA   SER   6           HA       SER   6  -1.583  -3.983   8.013
   55    HB2  SER   6           HB2      SER   6  -3.674  -3.021   8.869
   56    HB3  SER   6           HB3      SER   6  -2.501  -1.733   8.518
   57    HG   SER   6           HG       SER   6  -4.605  -1.295   7.708
   58    H    HIS   7           H        HIS   7  -2.840  -3.818   4.811
   59    HA   HIS   7           HA       HIS   7  -5.044  -5.634   5.060
   60    HB2  HIS   7           HB2      HIS   7  -4.605  -4.077   3.172
   61    HB3  HIS   7           HB3      HIS   7  -3.210  -5.049   2.705
   62    HD2  HIS   7           HD2      HIS   7  -6.948  -4.812   2.285
   63    HE1  HIS   7           HE1      HIS   7  -5.860  -8.524   0.526
   64    HE2  HIS   7           HE2      HIS   7  -7.733  -6.828   0.807
   65    H    ILE   8           H        ILE   8  -1.538  -6.044   4.927
   66    HA   ILE   8           HA       ILE   8  -1.759  -8.885   4.249
   67    HB   ILE   8           HB       ILE   8   0.611  -7.125   4.985
   68   HG12  ILE   8          HG12      ILE   8  -0.407  -8.193   2.320
   69   HG13  ILE   8          HG13      ILE   8  -0.531  -6.514   2.873
   70   HG21  ILE   8          HG21      ILE   8   0.561  -9.964   3.875
   71   HG22  ILE   8          HG22      ILE   8   2.013  -8.971   4.156
   72   HG23  ILE   8          HG23      ILE   8   1.039  -9.509   5.525
   73   HD11  ILE   8          HD11      ILE   8   1.968  -6.402   2.996
   74   HD12  ILE   8          HD12      ILE   8   2.037  -8.023   2.263
   75   HD13  ILE   8          HD13      ILE   8   1.337  -6.663   1.359
   76    H    HIS   9           H        HIS   9  -1.201  -6.836   7.105
   77    HA   HIS   9           HA       HIS   9  -0.451  -9.040   8.829
   78    HB2  HIS   9           HB2      HIS   9  -1.326  -6.192   9.396
   79    HB3  HIS   9           HB3      HIS   9  -0.745  -7.324  10.623
   80    HD2  HIS   9           HD2      HIS   9   1.752  -7.100  11.173
   81    HE1  HIS   9           HE1      HIS   9   3.179  -5.500   7.501
   82    HE2  HIS   9           HE2      HIS   9   3.834  -6.203   9.869
   83    H    SER  10           H        SER  10  -3.554  -7.694   7.803
   84    HA   SER  10           HA       SER  10  -5.040  -8.558  10.096
   85    HB2  SER  10           HB2      SER  10  -6.990  -8.227   8.674
   86    HB3  SER  10           HB3      SER  10  -5.852  -6.889   8.433
   87    HG   SER  10           HG       SER  10  -6.667  -7.772   6.458
   88    H    ARG  11           H        ARG  11  -3.664 -10.251   7.349
   89    HA   ARG  11           HA       ARG  11  -5.397 -12.568   7.500
   90    HB2  ARG  11           HB2      ARG  11  -2.605 -12.213   6.332
   91    HB3  ARG  11           HB3      ARG  11  -3.673 -13.598   6.066
   92    HG2  ARG  11           HG2      ARG  11  -5.354 -12.103   5.016
   93    HG3  ARG  11           HG3      ARG  11  -4.294 -10.708   5.302
   94    HD2  ARG  11           HD2      ARG  11  -4.046 -11.448   3.001
   95    HD3  ARG  11           HD3      ARG  11  -2.544 -11.749   3.887
   96    HE   ARG  11           HE       ARG  11  -2.890 -14.062   3.741
   97   HH11  ARG  11          HH11      ARG  11  -5.658 -12.302   2.407
   98   HH12  ARG  11          HH12      ARG  11  -6.339 -13.719   1.645
   99   HH21  ARG  11          HH21      ARG  11  -3.802 -15.885   2.731
  100   HH22  ARG  11          HH22      ARG  11  -5.294 -15.728   1.826
  101    H    LEU  12           H        LEU  12  -2.489 -11.479   9.169
  102    HA   LEU  12           HA       LEU  12  -1.947 -14.101  10.355
  103    HB2  LEU  12           HB2      LEU  12  -0.118 -12.643   9.863
  104    HB3  LEU  12           HB3      LEU  12  -0.834 -11.296  10.751
  105    HG   LEU  12           HG       LEU  12  -0.270 -13.864  12.231
  106   HD11  LEU  12          HD11      LEU  12   1.820 -11.777  11.485
  107   HD12  LEU  12          HD12      LEU  12   2.049 -13.131  12.623
  108   HD13  LEU  12          HD13      LEU  12   1.757 -13.455  10.900
  109   HD21  LEU  12          HD21      LEU  12  -1.345 -11.932  13.412
  110   HD22  LEU  12          HD22      LEU  12   0.275 -12.268  14.051
  111   HD23  LEU  12          HD23      LEU  12   0.021 -10.901  12.940
  112    H    GLN  13           H        GLN  13  -3.751 -11.159  11.128
  113    HA   GLN  13           HA       GLN  13  -4.173 -11.902  13.911
  114    HB2  GLN  13           HB2      GLN  13  -5.528  -9.866  12.099
  115    HB3  GLN  13           HB3      GLN  13  -5.836 -10.020  13.836
  116    HG2  GLN  13           HG2      GLN  13  -3.104  -9.432  12.613
  117    HG3  GLN  13           HG3      GLN  13  -4.192  -8.214  13.273
  118   HE21  GLN  13          HE21      GLN  13  -1.677  -8.347  14.309
  119   HE22  GLN  13          HE22      GLN  13  -1.714  -9.032  15.919
  120    H    ASP  14           H        ASP  14  -5.681 -12.676  10.857
  121    HA   ASP  14           HA       ASP  14  -8.149 -13.580  12.082
  122    HB2  ASP  14           HB2      ASP  14  -7.080 -13.705   9.275
  123    HB3  ASP  14           HB3      ASP  14  -8.563 -14.535   9.761
  124    HN1  NH2  15           HN1      NH2  15  -5.206 -14.915  12.430
  125    HN2  NH2  15           HN2      NH2  15  -5.669 -16.602  12.509
  Start of MODEL   11
    1    H1   TRP   1           H1       TRP   1   2.615   7.720   1.959
    2    H2   TRP   1           H2       TRP   1   3.441   8.493   3.156
    3    H3   TRP   1           H3       TRP   1   1.843   8.124   3.351
    4    HA   TRP   1           HA       TRP   1   4.030   6.184   3.083
    5    HB2  TRP   1           HB2      TRP   1   4.115   7.353   5.225
    6    HB3  TRP   1           HB3      TRP   1   2.401   7.001   5.484
    7    HD1  TRP   1           HD1      TRP   1   5.777   5.167   5.293
    8    HE1  TRP   1           HE1      TRP   1   5.652   3.008   6.635
    9    HE3  TRP   1           HE3      TRP   1   0.819   5.278   6.496
   10    HZ2  TRP   1           HZ2      TRP   1   3.638   1.508   8.088
   11    HZ3  TRP   1           HZ3      TRP   1  -0.173   3.481   7.888
   12    HH2  TRP   1           HH2      TRP   1   1.224   1.591   8.682
   13    H    TYR   2           H        TYR   2   3.447   4.073   2.732
   14    HA   TYR   2           HA       TYR   2   0.682   3.695   2.037
   15    HB2  TYR   2           HB2      TYR   2   3.078   1.978   1.660
   16    HB3  TYR   2           HB3      TYR   2   1.435   1.347   1.469
   17    HD1  TYR   2           HD1      TYR   2   4.067   3.104  -0.198
   18    HD2  TYR   2           HD2      TYR   2  -0.207   2.669  -0.019
   19    HE1  TYR   2           HE1      TYR   2   3.874   4.069  -2.472
   20    HE2  TYR   2           HE2      TYR   2  -0.413   3.645  -2.282
   21    HH   TYR   2           HH       TYR   2   0.703   4.519  -4.082
   22    H    HIS   3           H        HIS   3  -0.777   3.573   3.472
   23    HA   HIS   3           HA       HIS   3  -0.430   2.032   5.930
   24    HB2  HIS   3           HB2      HIS   3  -2.698   2.867   6.397
   25    HB3  HIS   3           HB3      HIS   3  -1.604   4.158   5.836
   26    HD2  HIS   3           HD2      HIS   3  -2.526   5.684   3.992
   27    HE1  HIS   3           HE1      HIS   3  -5.612   3.181   2.466
   28    HE2  HIS   3           HE2      HIS   3  -4.518   5.482   2.297
   29    H    ARG   4           H        ARG   4  -1.343   1.361   2.729
   30    HA   ARG   4           HA       ARG   4  -3.395  -0.573   3.104
   31    HB2  ARG   4           HB2      ARG   4  -2.053   0.662   0.974
   32    HB3  ARG   4           HB3      ARG   4  -1.601  -1.039   0.805
   33    HG2  ARG   4           HG2      ARG   4  -4.427   0.075   1.025
   34    HG3  ARG   4           HG3      ARG   4  -3.646  -0.488  -0.463
   35    HD2  ARG   4           HD2      ARG   4  -3.424  -2.763   0.545
   36    HD3  ARG   4           HD3      ARG   4  -4.313  -2.194   1.967
   37    HE   ARG   4           HE       ARG   4  -6.271  -1.825   0.564
   38   HH11  ARG   4          HH11      ARG   4  -3.688  -3.784  -0.875
   39   HH12  ARG   4          HH12      ARG   4  -4.773  -4.571  -1.999
   40   HH21  ARG   4          HH21      ARG   4  -7.632  -2.862  -0.916
   41   HH22  ARG   4          HH22      ARG   4  -6.990  -4.054  -2.022
   42    H    LEU   5           H        LEU   5  -0.063  -0.709   3.925
   43    HA   LEU   5           HA       LEU   5   0.502  -3.460   3.459
   44    HB2  LEU   5           HB2      LEU   5   2.235  -1.824   3.953
   45    HB3  LEU   5           HB3      LEU   5   1.495  -1.460   5.520
   46    HG   LEU   5           HG       LEU   5   2.000  -3.771   6.288
   47   HD11  LEU   5          HD11      LEU   5   2.008  -4.925   4.098
   48   HD12  LEU   5          HD12      LEU   5   3.437  -3.980   3.601
   49   HD13  LEU   5          HD13      LEU   5   3.554  -5.155   4.936
   50   HD21  LEU   5          HD21      LEU   5   3.577  -1.907   6.697
   51   HD22  LEU   5          HD22      LEU   5   4.426  -3.456   6.476
   52   HD23  LEU   5          HD23      LEU   5   4.391  -2.263   5.159
   53    H    SER   6           H        SER   6  -1.483  -1.834   5.870
   54    HA   SER   6           HA       SER   6  -1.421  -3.822   7.898
   55    HB2  SER   6           HB2      SER   6  -2.279  -1.550   8.244
   56    HB3  SER   6           HB3      SER   6  -3.599  -1.854   7.088
   57    HG   SER   6           HG       SER   6  -4.233  -2.139   9.267
   58    H    HIS   7           H        HIS   7  -2.910  -3.845   4.737
   59    HA   HIS   7           HA       HIS   7  -5.034  -5.691   5.281
   60    HB2  HIS   7           HB2      HIS   7  -4.799  -4.243   3.265
   61    HB3  HIS   7           HB3      HIS   7  -3.424  -5.214   2.741
   62    HD2  HIS   7           HD2      HIS   7  -7.165  -5.025   2.551
   63    HE1  HIS   7           HE1      HIS   7  -6.197  -8.886   1.048
   64    HE2  HIS   7           HE2      HIS   7  -8.044  -7.147   1.292
   65    H    ILE   8           H        ILE   8  -1.545  -6.046   4.735
   66    HA   ILE   8           HA       ILE   8  -1.692  -8.881   4.188
   67    HB   ILE   8           HB       ILE   8   0.697  -7.197   5.049
   68   HG12  ILE   8          HG12      ILE   8  -0.288  -6.155   3.090
   69   HG13  ILE   8          HG13      ILE   8   1.220  -6.961   2.668
   70   HG21  ILE   8          HG21      ILE   8   1.078  -9.602   5.233
   71   HG22  ILE   8          HG22      ILE   8   0.462  -9.862   3.592
   72   HG23  ILE   8          HG23      ILE   8   1.976  -8.960   3.846
   73   HD11  ILE   8          HD11      ILE   8  -0.051  -8.881   1.737
   74   HD12  ILE   8          HD12      ILE   8  -1.579  -8.073   2.165
   75   HD13  ILE   8          HD13      ILE   8  -0.497  -7.348   0.960
   76    H    HIS   9           H        HIS   9  -1.026  -6.815   7.047
   77    HA   HIS   9           HA       HIS   9  -0.374  -9.024   8.787
   78    HB2  HIS   9           HB2      HIS   9  -1.208  -6.156   9.343
   79    HB3  HIS   9           HB3      HIS   9  -0.609  -7.292  10.559
   80    HD2  HIS   9           HD2      HIS   9   1.882  -7.012  11.082
   81    HE1  HIS   9           HE1      HIS   9   3.279  -5.530   7.354
   82    HE2  HIS   9           HE2      HIS   9   3.952  -6.148   9.732
   83    H    SER  10           H        SER  10  -3.371  -7.651   7.620
   84    HA   SER  10           HA       SER  10  -5.024  -8.400   9.846
   85    HB2  SER  10           HB2      SER  10  -5.660  -7.976   6.896
   86    HB3  SER  10           HB3      SER  10  -6.870  -8.195   8.174
   87    HG   SER  10           HG       SER  10  -4.918  -6.140   8.040
   88    H    ARG  11           H        ARG  11  -3.514 -10.243   7.289
   89    HA   ARG  11           HA       ARG  11  -5.349 -12.494   7.433
   90    HB2  ARG  11           HB2      ARG  11  -2.502 -12.282   6.367
   91    HB3  ARG  11           HB3      ARG  11  -3.609 -13.645   6.113
   92    HG2  ARG  11           HG2      ARG  11  -5.198 -12.118   4.939
   93    HG3  ARG  11           HG3      ARG  11  -4.060 -10.775   5.188
   94    HD2  ARG  11           HD2      ARG  11  -3.802 -11.672   2.938
   95    HD3  ARG  11           HD3      ARG  11  -2.343 -11.997   3.876
   96    HE   ARG  11           HE       ARG  11  -4.500 -13.999   3.278
   97   HH11  ARG  11          HH11      ARG  11  -1.082 -13.251   3.877
   98   HH12  ARG  11          HH12      ARG  11  -0.576 -14.908   3.643
   99   HH21  ARG  11          HH21      ARG  11  -3.793 -16.135   2.996
  100   HH22  ARG  11          HH22      ARG  11  -2.093 -16.524   3.158
  101    H    LEU  12           H        LEU  12  -2.487 -11.423   9.190
  102    HA   LEU  12           HA       LEU  12  -2.133 -14.030  10.508
  103    HB2  LEU  12           HB2      LEU  12  -0.185 -12.739   9.958
  104    HB3  LEU  12           HB3      LEU  12  -0.807 -11.300  10.764
  105    HG   LEU  12           HG       LEU  12  -0.473 -13.798  12.414
  106   HD11  LEU  12          HD11      LEU  12   1.610 -13.664  11.101
  107   HD12  LEU  12          HD12      LEU  12   1.808 -11.960  11.571
  108   HD13  LEU  12          HD13      LEU  12   1.899 -13.239  12.804
  109   HD21  LEU  12          HD21      LEU  12   0.088 -10.835  12.918
  110   HD22  LEU  12          HD22      LEU  12  -1.381 -11.681  13.428
  111   HD23  LEU  12          HD23      LEU  12   0.192 -12.129  14.124
  112    H    GLN  13           H        GLN  13  -3.789 -10.975  11.012
  113    HA   GLN  13           HA       GLN  13  -4.253 -11.357  13.853
  114    HB2  GLN  13           HB2      GLN  13  -4.147  -9.143  12.824
  115    HB3  GLN  13           HB3      GLN  13  -5.515  -9.538  11.757
  116    HG2  GLN  13           HG2      GLN  13  -7.029  -9.676  13.639
  117    HG3  GLN  13           HG3      GLN  13  -5.686  -9.535  14.791
  118   HE21  GLN  13          HE21      GLN  13  -7.422  -7.780  15.427
  119   HE22  GLN  13          HE22      GLN  13  -7.102  -6.179  14.789
  120    H    ASP  14           H        ASP  14  -5.753 -12.509  10.911
  121    HA   ASP  14           HA       ASP  14  -8.354 -12.955  12.016
  122    HB2  ASP  14           HB2      ASP  14  -8.241 -12.760   9.699
  123    HB3  ASP  14           HB3      ASP  14  -6.938 -13.942   9.564
  124    HN1  NH2  15           HN1      NH2  15  -8.946 -14.262  13.569
  125    HN2  NH2  15           HN2      NH2  15  -8.249 -15.835  13.905
  Start of MODEL   12
    1    H1   TRP   1           H1       TRP   1   0.335   3.375  -1.962
    2    H2   TRP   1           H2       TRP   1  -0.653   2.494  -0.976
    3    H3   TRP   1           H3       TRP   1   0.889   1.997  -1.248
    4    HA   TRP   1           HA       TRP   1   1.778   3.918  -0.164
    5    HB2  TRP   1           HB2      TRP   1  -0.146   5.377  -0.738
    6    HB3  TRP   1           HB3      TRP   1  -1.128   4.534   0.451
    7    HD1  TRP   1           HD1      TRP   1   1.898   6.861   0.189
    8    HE1  TRP   1           HE1      TRP   1   2.224   8.140   2.376
    9    HE3  TRP   1           HE3      TRP   1  -1.700   4.562   3.005
   10    HZ2  TRP   1           HZ2      TRP   1   1.075   8.155   5.028
   11    HZ3  TRP   1           HZ3      TRP   1  -2.047   5.227   5.363
   12    HH2  TRP   1           HH2      TRP   1  -0.668   7.008   6.385
   13    H    TYR   2           H        TYR   2   1.580   4.208   2.382
   14    HA   TYR   2           HA       TYR   2   2.216   1.740   3.405
   15    HB2  TYR   2           HB2      TYR   2   3.210   3.514   4.402
   16    HB3  TYR   2           HB3      TYR   2   1.700   4.399   4.610
   17    HD1  TYR   2           HD1      TYR   2   0.078   3.815   6.385
   18    HD2  TYR   2           HD2      TYR   2   3.983   2.028   6.143
   19    HE1  TYR   2           HE1      TYR   2  -0.111   3.073   8.757
   20    HE2  TYR   2           HE2      TYR   2   3.802   1.295   8.509
   21    HH   TYR   2           HH       TYR   2   2.501   1.250  10.385
   22    H    HIS   3           H        HIS   3  -1.060   2.783   3.131
   23    HA   HIS   3           HA       HIS   3  -2.098   1.387   5.402
   24    HB2  HIS   3           HB2      HIS   3  -4.251   1.606   4.273
   25    HB3  HIS   3           HB3      HIS   3  -3.329   3.115   4.176
   26    HD2  HIS   3           HD2      HIS   3  -3.538   4.236   1.883
   27    HE1  HIS   3           HE1      HIS   3  -4.052   0.806  -0.577
   28    HE2  HIS   3           HE2      HIS   3  -3.925   3.355  -0.554
   29    H    ARG   4           H        ARG   4  -0.802   0.244   2.421
   30    HA   ARG   4           HA       ARG   4  -2.302  -2.198   2.221
   31    HB2  ARG   4           HB2      ARG   4   0.354  -1.240   1.123
   32    HB3  ARG   4           HB3      ARG   4  -0.176  -2.909   0.881
   33    HG2  ARG   4           HG2      ARG   4  -1.795  -0.478   0.040
   34    HG3  ARG   4           HG3      ARG   4  -0.766  -1.464  -1.020
   35    HD2  ARG   4           HD2      ARG   4  -2.123  -3.480  -0.328
   36    HD3  ARG   4           HD3      ARG   4  -3.227  -2.395   0.517
   37    HE   ARG   4           HE       ARG   4  -2.712  -2.352  -2.434
   38   HH11  ARG   4          HH11      ARG   4  -4.904  -1.814   0.305
   39   HH12  ARG   4          HH12      ARG   4  -6.260  -1.440  -0.736
   40   HH21  ARG   4          HH21      ARG   4  -4.490  -1.828  -3.729
   41   HH22  ARG   4          HH22      ARG   4  -6.023  -1.427  -2.990
   42    H    LEU   5           H        LEU   5   0.211  -1.270   4.451
   43    HA   LEU   5           HA       LEU   5   1.079  -4.007   4.929
   44    HB2  LEU   5           HB2      LEU   5   1.354  -1.357   6.399
   45    HB3  LEU   5           HB3      LEU   5   1.910  -2.871   7.119
   46    HG   LEU   5           HG       LEU   5   2.851  -1.821   4.407
   47   HD11  LEU   5          HD11      LEU   5   4.204  -1.767   7.138
   48   HD12  LEU   5          HD12      LEU   5   4.932  -1.246   5.600
   49   HD13  LEU   5          HD13      LEU   5   3.546  -0.357   6.271
   50   HD21  LEU   5          HD21      LEU   5   3.076  -4.270   4.616
   51   HD22  LEU   5          HD22      LEU   5   4.670  -3.509   4.745
   52   HD23  LEU   5          HD23      LEU   5   3.843  -4.077   6.214
   53    H    SER   6           H        SER   6  -1.167  -1.715   6.542
   54    HA   SER   6           HA       SER   6  -1.969  -3.487   8.611
   55    HB2  SER   6           HB2      SER   6  -2.437  -1.081   8.627
   56    HB3  SER   6           HB3      SER   6  -3.489  -1.261   7.206
   57    HG   SER   6           HG       SER   6  -3.875  -2.428   9.766
   58    H    HIS   7           H        HIS   7  -2.761  -3.398   5.189
   59    HA   HIS   7           HA       HIS   7  -5.199  -4.923   5.327
   60    HB2  HIS   7           HB2      HIS   7  -4.378  -3.429   3.453
   61    HB3  HIS   7           HB3      HIS   7  -3.197  -4.674   3.052
   62    HD2  HIS   7           HD2      HIS   7  -6.678  -3.621   2.289
   63    HE1  HIS   7           HE1      HIS   7  -6.482  -7.653   0.957
   64    HE2  HIS   7           HE2      HIS   7  -7.845  -5.506   0.891
   65    H    ILE   8           H        ILE   8  -1.743  -5.748   4.745
   66    HA   ILE   8           HA       ILE   8  -2.327  -8.563   4.357
   67    HB   ILE   8           HB       ILE   8   0.241  -6.998   4.766
   68   HG12  ILE   8          HG12      ILE   8  -0.983  -8.290   2.284
   69   HG13  ILE   8          HG13      ILE   8  -1.107  -6.571   2.683
   70   HG21  ILE   8          HG21      ILE   8  -0.122  -9.925   3.988
   71   HG22  ILE   8          HG22      ILE   8   1.424  -9.038   3.998
   72   HG23  ILE   8          HG23      ILE   8   0.564  -9.332   5.513
   73   HD11  ILE   8          HD11      ILE   8   0.699  -6.888   1.089
   74   HD12  ILE   8          HD12      ILE   8   1.376  -6.387   2.656
   75   HD13  ILE   8          HD13      ILE   8   1.472  -8.090   2.133
   76    H    HIS   9           H        HIS   9  -1.102  -6.550   7.067
   77    HA   HIS   9           HA       HIS   9  -0.538  -8.771   8.781
   78    HB2  HIS   9           HB2      HIS   9  -0.987  -5.813   9.259
   79    HB3  HIS   9           HB3      HIS   9  -0.622  -6.953  10.563
   80    HD2  HIS   9           HD2      HIS   9   1.838  -6.737  11.216
   81    HE1  HIS   9           HE1      HIS   9   3.610  -6.286   7.379
   82    HE2  HIS   9           HE2      HIS   9   4.075  -6.455   9.878
   83    H    SER  10           H        SER  10  -3.563  -7.188   7.937
   84    HA   SER  10           HA       SER  10  -4.993  -8.072  10.297
   85    HB2  SER  10           HB2      SER  10  -5.937  -7.300   7.509
   86    HB3  SER  10           HB3      SER  10  -7.018  -7.692   8.859
   87    HG   SER  10           HG       SER  10  -5.165  -5.565   8.674
   88    H    ARG  11           H        ARG  11  -4.122  -9.562   7.192
   89    HA   ARG  11           HA       ARG  11  -5.878 -11.856   7.603
   90    HB2  ARG  11           HB2      ARG  11  -3.619 -11.317   5.633
   91    HB3  ARG  11           HB3      ARG  11  -4.636 -12.767   5.641
   92    HG2  ARG  11           HG2      ARG  11  -6.658 -11.382   5.339
   93    HG3  ARG  11           HG3      ARG  11  -5.658  -9.905   5.335
   94    HD2  ARG  11           HD2      ARG  11  -4.481 -10.675   3.334
   95    HD3  ARG  11           HD3      ARG  11  -5.373 -12.202   3.364
   96    HE   ARG  11           HE       ARG  11  -6.761  -9.565   3.048
   97   HH11  ARG  11          HH11      ARG  11  -6.143 -12.860   1.902
   98   HH12  ARG  11          HH12      ARG  11  -7.387 -12.787   0.679
   99   HH21  ARG  11          HH21      ARG  11  -8.374  -9.506   1.452
  100   HH22  ARG  11          HH22      ARG  11  -8.634 -10.894   0.419
  101    H    LEU  12           H        LEU  12  -2.599 -10.937   8.471
  102    HA   LEU  12           HA       LEU  12  -1.766 -13.632   9.177
  103    HB2  LEU  12           HB2      LEU  12  -0.134 -11.990   8.560
  104    HB3  LEU  12           HB3      LEU  12  -0.703 -10.846   9.781
  105    HG   LEU  12           HG       LEU  12   0.254 -13.555  10.706
  106   HD11  LEU  12          HD11      LEU  12   2.057 -11.244   9.874
  107   HD12  LEU  12          HD12      LEU  12   2.576 -12.710  10.735
  108   HD13  LEU  12          HD13      LEU  12   1.951 -12.830   9.073
  109   HD21  LEU  12          HD21      LEU  12   1.120 -12.176  12.590
  110   HD22  LEU  12          HD22      LEU  12   0.560 -10.707  11.771
  111   HD23  LEU  12          HD23      LEU  12  -0.617 -11.896  12.369
  112    H    GLN  13           H        GLN  13  -3.457 -10.940  10.741
  113    HA   GLN  13           HA       GLN  13  -3.276 -12.078  13.405
  114    HB2  GLN  13           HB2      GLN  13  -3.453  -9.658  13.039
  115    HB3  GLN  13           HB3      GLN  13  -4.980  -9.870  12.173
  116    HG2  GLN  13           HG2      GLN  13  -5.428  -9.088  14.421
  117    HG3  GLN  13           HG3      GLN  13  -6.061 -10.721  14.224
  118   HE21  GLN  13          HE21      GLN  13  -5.988 -10.456  16.691
  119   HE22  GLN  13          HE22      GLN  13  -4.513 -10.941  17.502
  120    H    ASP  14           H        ASP  14  -5.430 -12.397  10.638
  121    HA   ASP  14           HA       ASP  14  -7.652 -13.546  12.122
  122    HB2  ASP  14           HB2      ASP  14  -7.741 -12.342   9.881
  123    HB3  ASP  14           HB3      ASP  14  -6.927 -13.732   9.160
  124    HN1  NH2  15           HN1      NH2  15  -4.517 -14.673  11.440
  125    HN2  NH2  15           HN2      NH2  15  -4.848 -16.395  11.463
  Start of MODEL   13
    1    H1   TRP   1           H1       TRP   1  -1.984   3.384  -1.766
    2    H2   TRP   1           H2       TRP   1  -2.561   4.913  -1.983
    3    H3   TRP   1           H3       TRP   1  -2.990   4.054  -0.647
    4    HA   TRP   1           HA       TRP   1  -0.287   4.978  -1.320
    5    HB2  TRP   1           HB2      TRP   1  -1.832   6.782  -0.665
    6    HB3  TRP   1           HB3      TRP   1  -2.196   5.934   0.832
    7    HD1  TRP   1           HD1      TRP   1   0.658   7.776  -0.938
    8    HE1  TRP   1           HE1      TRP   1   2.341   8.642   0.769
    9    HE3  TRP   1           HE3      TRP   1  -1.307   5.654   3.279
   10    HZ2  TRP   1           HZ2      TRP   1   2.818   8.401   3.609
   11    HZ3  TRP   1           HZ3      TRP   1  -0.210   5.988   5.470
   12    HH2  TRP   1           HH2      TRP   1   1.852   7.350   5.652
   13    H    TYR   2           H        TYR   2   1.047   4.933   0.862
   14    HA   TYR   2           HA       TYR   2   1.617   2.268   1.257
   15    HB2  TYR   2           HB2      TYR   2   3.367   3.673   1.492
   16    HB3  TYR   2           HB3      TYR   2   2.499   4.779   2.555
   17    HD1  TYR   2           HD1      TYR   2   2.127   4.262   4.937
   18    HD2  TYR   2           HD2      TYR   2   4.618   1.825   2.420
   19    HE1  TYR   2           HE1      TYR   2   3.114   3.207   6.951
   20    HE2  TYR   2           HE2      TYR   2   5.632   0.776   4.423
   21    HH   TYR   2           HH       TYR   2   5.676   0.701   6.714
   22    H    HIS   3           H        HIS   3  -0.993   3.738   2.905
   23    HA   HIS   3           HA       HIS   3  -0.725   2.344   5.396
   24    HB2  HIS   3           HB2      HIS   3  -3.066   2.946   5.729
   25    HB3  HIS   3           HB3      HIS   3  -2.162   4.315   5.062
   26    HD2  HIS   3           HD2      HIS   3  -3.505   5.568   3.241
   27    HE1  HIS   3           HE1      HIS   3  -5.889   2.376   1.754
   28    HE2  HIS   3           HE2      HIS   3  -5.367   4.864   1.544
   29    H    ARG   4           H        ARG   4  -1.448   1.283   2.247
   30    HA   ARG   4           HA       ARG   4  -3.298  -0.816   2.737
   31    HB2  ARG   4           HB2      ARG   4  -1.861   0.281   0.547
   32    HB3  ARG   4           HB3      ARG   4  -1.394  -1.421   0.599
   33    HG2  ARG   4           HG2      ARG   4  -4.238  -0.346   0.606
   34    HG3  ARG   4           HG3      ARG   4  -3.404  -1.016  -0.808
   35    HD2  ARG   4           HD2      ARG   4  -3.137  -3.185   0.384
   36    HD3  ARG   4           HD3      ARG   4  -4.049  -2.532   1.752
   37    HE   ARG   4           HE       ARG   4  -5.993  -2.266   0.234
   38   HH11  ARG   4          HH11      ARG   4  -3.444  -4.552  -0.704
   39   HH12  ARG   4          HH12      ARG   4  -4.532  -5.495  -1.702
   40   HH21  ARG   4          HH21      ARG   4  -7.347  -3.520  -1.077
   41   HH22  ARG   4          HH22      ARG   4  -6.708  -4.917  -1.914
   42    H    LEU   5           H        LEU   5   0.051  -0.532   3.613
   43    HA   LEU   5           HA       LEU   5   0.738  -3.313   3.513
   44    HB2  LEU   5           HB2      LEU   5   2.427  -1.607   3.596
   45    HB3  LEU   5           HB3      LEU   5   1.793  -0.930   5.091
   46    HG   LEU   5           HG       LEU   5   2.686  -3.812   5.111
   47   HD11  LEU   5          HD11      LEU   5   4.546  -1.403   5.208
   48   HD12  LEU   5          HD12      LEU   5   5.004  -3.092   5.542
   49   HD13  LEU   5          HD13      LEU   5   4.480  -2.613   3.912
   50   HD21  LEU   5          HD21      LEU   5   1.739  -2.795   7.188
   51   HD22  LEU   5          HD22      LEU   5   3.469  -3.139   7.382
   52   HD23  LEU   5          HD23      LEU   5   2.928  -1.477   7.072
   53    H    SER   6           H        SER   6  -1.139  -1.384   5.779
   54    HA   SER   6           HA       SER   6  -0.907  -3.193   8.003
   55    HB2  SER   6           HB2      SER   6  -2.731  -1.895   8.953
   56    HB3  SER   6           HB3      SER   6  -1.586  -0.792   8.168
   57    HG   SER   6           HG       SER   6  -2.985  -0.598   6.450
   58    H    HIS   7           H        HIS   7  -2.587  -3.449   5.009
   59    HA   HIS   7           HA       HIS   7  -4.844  -5.015   5.942
   60    HB2  HIS   7           HB2      HIS   7  -4.838  -3.750   3.822
   61    HB3  HIS   7           HB3      HIS   7  -3.503  -4.742   3.222
   62    HD2  HIS   7           HD2      HIS   7  -7.267  -4.694   3.403
   63    HE1  HIS   7           HE1      HIS   7  -6.239  -8.551   1.931
   64    HE2  HIS   7           HE2      HIS   7  -8.153  -6.909   2.326
   65    H    ILE   8           H        ILE   8  -1.488  -5.683   5.042
   66    HA   ILE   8           HA       ILE   8  -1.850  -8.416   4.318
   67    HB   ILE   8           HB       ILE   8   0.583  -6.879   5.302
   68   HG12  ILE   8          HG12      ILE   8  -0.346  -7.569   2.476
   69   HG13  ILE   8          HG13      ILE   8  -0.573  -5.994   3.250
   70   HG21  ILE   8          HG21      ILE   8   0.417  -9.531   3.816
   71   HG22  ILE   8          HG22      ILE   8   1.914  -8.659   4.232
   72   HG23  ILE   8          HG23      ILE   8   0.904  -9.330   5.518
   73   HD11  ILE   8          HD11      ILE   8   1.889  -5.767   3.504
   74   HD12  ILE   8          HD12      ILE   8   2.095  -7.294   2.605
   75   HD13  ILE   8          HD13      ILE   8   1.360  -5.888   1.812
   76    H    HIS   9           H        HIS   9  -1.394  -6.791   7.439
   77    HA   HIS   9           HA       HIS   9  -0.610  -9.149   8.879
   78    HB2  HIS   9           HB2      HIS   9  -1.794  -6.513   9.819
   79    HB3  HIS   9           HB3      HIS   9  -1.066  -7.744  10.859
   80    HD2  HIS   9           HD2      HIS   9   1.376  -7.227  11.476
   81    HE1  HIS   9           HE1      HIS   9   2.562  -5.028   8.033
   82    HE2  HIS   9           HE2      HIS   9   3.316  -5.915  10.307
   83    H    SER  10           H        SER  10  -3.712  -7.973   7.737
   84    HA   SER  10           HA       SER  10  -5.324  -9.065   9.840
   85    HB2  SER  10           HB2      SER  10  -7.173  -8.711   8.364
   86    HB3  SER  10           HB3      SER  10  -6.067  -7.341   8.167
   87    HG   SER  10           HG       SER  10  -5.337  -8.250   6.255
   88    H    ARG  11           H        ARG  11  -3.494 -10.564   7.345
   89    HA   ARG  11           HA       ARG  11  -5.180 -12.889   6.948
   90    HB2  ARG  11           HB2      ARG  11  -2.232 -12.420   6.362
   91    HB3  ARG  11           HB3      ARG  11  -3.244 -13.730   5.723
   92    HG2  ARG  11           HG2      ARG  11  -4.712 -12.022   4.625
   93    HG3  ARG  11           HG3      ARG  11  -3.626 -10.745   5.208
   94    HD2  ARG  11           HD2      ARG  11  -2.943 -13.004   3.301
   95    HD3  ARG  11           HD3      ARG  11  -3.073 -11.286   2.902
   96    HE   ARG  11           HE       ARG  11  -1.145 -11.078   4.693
   97   HH11  ARG  11          HH11      ARG  11  -1.535 -13.649   2.296
   98   HH12  ARG  11          HH12      ARG  11   0.177 -14.004   2.240
   99   HH21  ARG  11          HH21      ARG  11   1.065 -11.602   4.629
  100   HH22  ARG  11          HH22      ARG  11   1.638 -12.848   3.544
  101    H    LEU  12           H        LEU  12  -3.012 -11.899   9.430
  102    HA   LEU  12           HA       LEU  12  -2.963 -14.700  10.466
  103    HB2  LEU  12           HB2      LEU  12  -0.776 -14.168   9.682
  104    HB3  LEU  12           HB3      LEU  12  -0.784 -12.588  10.467
  105    HG   LEU  12           HG       LEU  12  -1.123 -15.020  12.215
  106   HD11  LEU  12          HD11      LEU  12   1.324 -15.303  12.312
  107   HD12  LEU  12          HD12      LEU  12   0.701 -15.651  10.685
  108   HD13  LEU  12          HD13      LEU  12   1.524 -14.107  11.012
  109   HD21  LEU  12          HD21      LEU  12   0.261 -13.658  13.748
  110   HD22  LEU  12          HD22      LEU  12   0.482 -12.432  12.485
  111   HD23  LEU  12          HD23      LEU  12  -1.129 -12.702  13.184
  112    H    GLN  13           H        GLN  13  -3.696 -11.355  10.971
  113    HA   GLN  13           HA       GLN  13  -3.723 -11.448  13.866
  114    HB2  GLN  13           HB2      GLN  13  -3.377  -9.381  12.623
  115    HB3  GLN  13           HB3      GLN  13  -4.977  -9.521  11.873
  116    HG2  GLN  13           HG2      GLN  13  -6.082  -9.201  14.011
  117    HG3  GLN  13           HG3      GLN  13  -4.539  -9.329  14.873
  118   HE21  GLN  13          HE21      GLN  13  -5.595  -7.186  15.696
  119   HE22  GLN  13          HE22      GLN  13  -5.087  -5.736  14.850
  120    H    ASP  14           H        ASP  14  -5.834 -12.669  11.437
  121    HA   ASP  14           HA       ASP  14  -8.266 -12.440  12.967
  122    HB2  ASP  14           HB2      ASP  14  -9.176 -14.052  11.246
  123    HB3  ASP  14           HB3      ASP  14  -8.576 -12.502  10.666
  124    HN1  NH2  15           HN1      NH2  15  -5.619 -14.291  13.657
  125    HN2  NH2  15           HN2      NH2  15  -6.421 -15.619  14.469
  Start of MODEL   14
    1    H1   TRP   1           H1       TRP   1   2.317   7.530   1.488
    2    H2   TRP   1           H2       TRP   1   3.057   8.417   2.660
    3    H3   TRP   1           H3       TRP   1   1.473   7.996   2.820
    4    HA   TRP   1           HA       TRP   1   3.743   6.143   2.798
    5    HB2  TRP   1           HB2      TRP   1   3.661   7.455   4.846
    6    HB3  TRP   1           HB3      TRP   1   1.948   7.056   5.045
    7    HD1  TRP   1           HD1      TRP   1   5.395   5.371   5.183
    8    HE1  TRP   1           HE1      TRP   1   5.273   3.313   6.681
    9    HE3  TRP   1           HE3      TRP   1   0.360   5.329   6.072
   10    HZ2  TRP   1           HZ2      TRP   1   3.236   1.815   8.095
   11    HZ3  TRP   1           HZ3      TRP   1  -0.633   3.589   7.527
   12    HH2  TRP   1           HH2      TRP   1   0.782   1.825   8.531
   13    H    TYR   2           H        TYR   2   3.286   3.997   2.554
   14    HA   TYR   2           HA       TYR   2   0.597   3.427   1.713
   15    HB2  TYR   2           HB2      TYR   2   3.083   1.797   1.675
   16    HB3  TYR   2           HB3      TYR   2   1.486   1.087   1.401
   17    HD1  TYR   2           HD1      TYR   2  -0.064   2.240  -0.315
   18    HD2  TYR   2           HD2      TYR   2   4.198   2.785  -0.174
   19    HE1  TYR   2           HE1      TYR   2  -0.098   3.032  -2.664
   20    HE2  TYR   2           HE2      TYR   2   4.184   3.561  -2.531
   21    HH   TYR   2           HH       TYR   2   2.912   4.006  -4.369
   22    H    HIS   3           H        HIS   3  -0.955   3.369   3.049
   23    HA   HIS   3           HA       HIS   3  -0.728   2.027   5.638
   24    HB2  HIS   3           HB2      HIS   3  -3.051   2.809   5.890
   25    HB3  HIS   3           HB3      HIS   3  -1.956   4.099   5.318
   26    HD2  HIS   3           HD2      HIS   3  -2.802   5.465   3.313
   27    HE1  HIS   3           HE1      HIS   3  -5.672   2.749   1.742
   28    HE2  HIS   3           HE2      HIS   3  -4.654   5.069   1.499
   29    H    ARG   4           H        ARG   4  -1.377   1.084   2.453
   30    HA   ARG   4           HA       ARG   4  -3.389  -0.902   2.832
   31    HB2  ARG   4           HB2      ARG   4  -1.943   0.219   0.706
   32    HB3  ARG   4           HB3      ARG   4  -1.413  -1.464   0.709
   33    HG2  ARG   4           HG2      ARG   4  -4.289  -0.479   0.629
   34    HG3  ARG   4           HG3      ARG   4  -3.367  -1.133  -0.739
   35    HD2  ARG   4           HD2      ARG   4  -3.126  -3.295   0.483
   36    HD3  ARG   4           HD3      ARG   4  -4.146  -2.660   1.782
   37    HE   ARG   4           HE       ARG   4  -4.997  -3.439  -0.940
   38   HH11  ARG   4          HH11      ARG   4  -5.906  -2.003   2.176
   39   HH12  ARG   4          HH12      ARG   4  -7.617  -2.255   1.901
   40   HH21  ARG   4          HH21      ARG   4  -7.224  -3.723  -1.245
   41   HH22  ARG   4          HH22      ARG   4  -8.356  -3.193  -0.020
   42    H    LEU   5           H        LEU   5  -0.114  -0.813   3.876
   43    HA   LEU   5           HA       LEU   5   0.594  -3.562   3.645
   44    HB2  LEU   5           HB2      LEU   5   2.207  -1.778   4.094
   45    HB3  LEU   5           HB3      LEU   5   1.399  -1.392   5.619
   46    HG   LEU   5           HG       LEU   5   2.001  -3.619   6.526
   47   HD11  LEU   5          HD11      LEU   5   3.501  -3.934   3.888
   48   HD12  LEU   5          HD12      LEU   5   3.642  -5.013   5.295
   49   HD13  LEU   5          HD13      LEU   5   2.108  -4.908   4.410
   50   HD21  LEU   5          HD21      LEU   5   4.421  -3.199   6.715
   51   HD22  LEU   5          HD22      LEU   5   4.345  -2.079   5.334
   52   HD23  LEU   5          HD23      LEU   5   3.498  -1.689   6.855
   53    H    SER   6           H        SER   6  -1.615  -1.874   5.804
   54    HA   SER   6           HA       SER   6  -1.570  -3.724   7.973
   55    HB2  SER   6           HB2      SER   6  -2.512  -1.466   8.123
   56    HB3  SER   6           HB3      SER   6  -3.770  -1.891   6.950
   57    HG   SER   6           HG       SER   6  -4.475  -2.063   9.126
   58    H    HIS   7           H        HIS   7  -2.836  -4.019   4.749
   59    HA   HIS   7           HA       HIS   7  -4.939  -5.897   5.282
   60    HB2  HIS   7           HB2      HIS   7  -4.634  -4.567   3.189
   61    HB3  HIS   7           HB3      HIS   7  -3.197  -5.523   2.815
   62    HD2  HIS   7           HD2      HIS   7  -6.928  -5.486   2.399
   63    HE1  HIS   7           HE1      HIS   7  -5.724  -9.380   1.188
   64    HE2  HIS   7           HE2      HIS   7  -7.651  -7.712   1.224
   65    H    ILE   8           H        ILE   8  -1.416  -6.144   5.018
   66    HA   ILE   8           HA       ILE   8  -1.466  -9.033   4.670
   67    HB   ILE   8           HB       ILE   8   0.729  -6.977   5.118
   68   HG12  ILE   8          HG12      ILE   8   1.511  -7.813   2.920
   69   HG13  ILE   8          HG13      ILE   8   0.132  -8.914   2.837
   70   HG21  ILE   8          HG21      ILE   8   2.352  -8.830   4.817
   71   HG22  ILE   8          HG22      ILE   8   1.441  -8.971   6.331
   72   HG23  ILE   8          HG23      ILE   8   1.022 -10.004   4.951
   73   HD11  ILE   8          HD11      ILE   8  -0.121  -6.798   1.490
   74   HD12  ILE   8          HD12      ILE   8  -1.410  -7.039   2.670
   75   HD13  ILE   8          HD13      ILE   8  -0.101  -5.872   3.008
   76    H    HIS   9           H        HIS   9  -0.928  -6.721   7.364
   77    HA   HIS   9           HA       HIS   9  -0.189  -8.801   9.237
   78    HB2  HIS   9           HB2      HIS   9  -1.079  -5.921   9.619
   79    HB3  HIS   9           HB3      HIS   9  -0.488  -6.970  10.910
   80    HD2  HIS   9           HD2      HIS   9   2.012  -6.704  11.420
   81    HE1  HIS   9           HE1      HIS   9   3.411  -5.319   7.657
   82    HE2  HIS   9           HE2      HIS   9   4.075  -5.863  10.057
   83    H    SER  10           H        SER  10  -3.250  -7.194   8.325
   84    HA   SER  10           HA       SER  10  -4.715  -8.315  10.551
   85    HB2  SER  10           HB2      SER  10  -6.699  -7.513   9.328
   86    HB3  SER  10           HB3      SER  10  -5.455  -6.257   9.491
   87    HG   SER  10           HG       SER  10  -4.915  -6.496   7.400
   88    H    ARG  11           H        ARG  11  -3.668  -9.536   7.444
   89    HA   ARG  11           HA       ARG  11  -5.689 -11.607   7.225
   90    HB2  ARG  11           HB2      ARG  11  -4.375 -10.767   5.308
   91    HB3  ARG  11           HB3      ARG  11  -2.887 -11.380   6.050
   92    HG2  ARG  11           HG2      ARG  11  -3.765 -13.700   5.921
   93    HG3  ARG  11           HG3      ARG  11  -5.283 -13.080   5.232
   94    HD2  ARG  11           HD2      ARG  11  -3.872 -13.912   3.438
   95    HD3  ARG  11           HD3      ARG  11  -4.022 -12.152   3.313
   96    HE   ARG  11           HE       ARG  11  -1.662 -13.353   4.694
   97   HH11  ARG  11          HH11      ARG  11  -2.967 -11.525   1.949
   98   HH12  ARG  11          HH12      ARG  11  -1.391 -10.988   1.426
   99   HH21  ARG  11          HH21      ARG  11   0.359 -12.604   3.993
  100   HH22  ARG  11          HH22      ARG  11   0.479 -11.595   2.568
  101    H    LEU  12           H        LEU  12  -2.507 -11.294   8.790
  102    HA   LEU  12           HA       LEU  12  -2.386 -14.098   9.552
  103    HB2  LEU  12           HB2      LEU  12  -0.369 -12.848   9.155
  104    HB3  LEU  12           HB3      LEU  12  -0.820 -11.604  10.321
  105    HG   LEU  12           HG       LEU  12  -0.594 -14.448  11.305
  106   HD11  LEU  12          HD11      LEU  12   1.412 -14.138   9.911
  107   HD12  LEU  12          HD12      LEU  12   1.771 -12.608  10.759
  108   HD13  LEU  12          HD13      LEU  12   1.829 -14.154  11.636
  109   HD21  LEU  12          HD21      LEU  12  -1.279 -12.597  12.863
  110   HD22  LEU  12          HD22      LEU  12   0.293 -13.290  13.309
  111   HD23  LEU  12          HD23      LEU  12   0.216 -11.733  12.456
  112    H    GLN  13           H        GLN  13  -3.700 -11.108  10.867
  113    HA   GLN  13           HA       GLN  13  -4.017 -12.066  13.575
  114    HB2  GLN  13           HB2      GLN  13  -3.845  -9.702  12.997
  115    HB3  GLN  13           HB3      GLN  13  -5.334  -9.801  12.028
  116    HG2  GLN  13           HG2      GLN  13  -6.656 -10.305  14.013
  117    HG3  GLN  13           HG3      GLN  13  -5.195 -10.389  15.010
  118   HE21  GLN  13          HE21      GLN  13  -6.851  -8.742  16.110
  119   HE22  GLN  13          HE22      GLN  13  -6.530  -7.062  15.734
  120    H    ASP  14           H        ASP  14  -5.844 -12.444  10.598
  121    HA   ASP  14           HA       ASP  14  -8.357 -13.153  11.877
  122    HB2  ASP  14           HB2      ASP  14  -7.990 -12.207   9.529
  123    HB3  ASP  14           HB3      ASP  14  -7.325 -13.783   9.070
  124    HN1  NH2  15           HN1      NH2  15  -5.312 -14.689  11.675
  125    HN2  NH2  15           HN2      NH2  15  -5.839 -16.350  11.823
  Start of MODEL   15
    1    H1   TRP   1           H1       TRP   1  -1.061   4.749  -0.572
    2    H2   TRP   1           H2       TRP   1  -0.661   6.152  -1.331
    3    H3   TRP   1           H3       TRP   1  -0.985   6.157   0.282
    4    HA   TRP   1           HA       TRP   1   1.250   4.779  -1.014
    5    HB2  TRP   1           HB2      TRP   1   1.691   7.099  -1.161
    6    HB3  TRP   1           HB3      TRP   1   1.123   7.383   0.488
    7    HD1  TRP   1           HD1      TRP   1   4.179   6.247  -1.439
    8    HE1  TRP   1           HE1      TRP   1   6.194   6.086   0.113
    9    HE3  TRP   1           HE3      TRP   1   1.808   6.941   3.047
   10    HZ2  TRP   1           HZ2      TRP   1   6.714   6.159   2.957
   11    HZ3  TRP   1           HZ3      TRP   1   3.077   6.811   5.154
   12    HH2  TRP   1           HH2      TRP   1   5.536   6.434   5.130
   13    H    TYR   2           H        TYR   2   1.934   3.120   0.015
   14    HA   TYR   2           HA       TYR   2   2.447   1.630   1.528
   15    HB2  TYR   2           HB2      TYR   2   4.286   2.864   1.920
   16    HB3  TYR   2           HB3      TYR   2   3.397   4.139   2.753
   17    HD1  TYR   2           HD1      TYR   2   2.722   3.954   5.083
   18    HD2  TYR   2           HD2      TYR   2   5.047   0.886   3.165
   19    HE1  TYR   2           HE1      TYR   2   3.321   3.018   7.304
   20    HE2  TYR   2           HE2      TYR   2   5.655  -0.046   5.374
   21    HH   TYR   2           HH       TYR   2   5.436   0.151   7.640
   22    H    HIS   3           H        HIS   3  -0.147   3.554   2.778
   23    HA   HIS   3           HA       HIS   3  -0.320   2.278   5.322
   24    HB2  HIS   3           HB2      HIS   3  -2.562   3.258   5.400
   25    HB3  HIS   3           HB3      HIS   3  -1.375   4.423   4.790
   26    HD2  HIS   3           HD2      HIS   3  -2.168   5.741   2.735
   27    HE1  HIS   3           HE1      HIS   3  -5.062   3.035   1.184
   28    HE2  HIS   3           HE2      HIS   3  -3.994   5.332   0.900
   29    H    ARG   4           H        ARG   4  -0.964   1.172   2.168
   30    HA   ARG   4           HA       ARG   4  -3.125  -0.628   2.629
   31    HB2  ARG   4           HB2      ARG   4  -1.359   0.124   0.488
   32    HB3  ARG   4           HB3      ARG   4  -1.321  -1.639   0.613
   33    HG2  ARG   4           HG2      ARG   4  -3.845   0.058   0.424
   34    HG3  ARG   4           HG3      ARG   4  -3.106  -0.825  -0.923
   35    HD2  ARG   4           HD2      ARG   4  -3.396  -2.959   0.333
   36    HD3  ARG   4           HD3      ARG   4  -4.216  -2.083   1.627
   37    HE   ARG   4           HE       ARG   4  -5.241  -2.623  -1.106
   38   HH11  ARG   4          HH11      ARG   4  -5.793  -1.135   2.074
   39   HH12  ARG   4          HH12      ARG   4  -7.513  -0.993   1.813
   40   HH21  ARG   4          HH21      ARG   4  -7.486  -2.410  -1.384
   41   HH22  ARG   4          HH22      ARG   4  -8.463  -1.711  -0.116
   42    H    LEU   5           H        LEU   5   0.170  -0.753   3.682
   43    HA   LEU   5           HA       LEU   5   0.532  -3.593   3.723
   44    HB2  LEU   5           HB2      LEU   5   2.393  -2.062   3.945
   45    HB3  LEU   5           HB3      LEU   5   1.668  -1.296   5.362
   46    HG   LEU   5           HG       LEU   5   1.934  -3.380   6.667
   47   HD11  LEU   5          HD11      LEU   5   3.373  -5.188   5.758
   48   HD12  LEU   5          HD12      LEU   5   1.866  -5.032   4.832
   49   HD13  LEU   5          HD13      LEU   5   3.389  -4.378   4.174
   50   HD21  LEU   5          HD21      LEU   5   4.379  -3.274   6.867
   51   HD22  LEU   5          HD22      LEU   5   4.471  -2.416   5.307
   52   HD23  LEU   5          HD23      LEU   5   3.676  -1.650   6.700
   53    H    SER   6           H        SER   6  -1.318  -1.390   5.764
   54    HA   SER   6           HA       SER   6  -1.444  -3.036   8.089
   55    HB2  SER   6           HB2      SER   6  -3.347  -1.630   8.700
   56    HB3  SER   6           HB3      SER   6  -2.026  -0.639   8.049
   57    HG   SER   6           HG       SER   6  -3.147  -0.415   6.154
   58    H    HIS   7           H        HIS   7  -2.837  -3.467   4.953
   59    HA   HIS   7           HA       HIS   7  -5.166  -4.989   5.837
   60    HB2  HIS   7           HB2      HIS   7  -5.076  -3.720   3.705
   61    HB3  HIS   7           HB3      HIS   7  -3.757  -4.750   3.154
   62    HD2  HIS   7           HD2      HIS   7  -7.518  -4.602   3.256
   63    HE1  HIS   7           HE1      HIS   7  -6.572  -8.520   1.894
   64    HE2  HIS   7           HE2      HIS   7  -8.445  -6.818   2.204
   65    H    ILE   8           H        ILE   8  -1.786  -5.649   4.967
   66    HA   ILE   8           HA       ILE   8  -2.226  -8.424   4.348
   67    HB   ILE   8           HB       ILE   8   0.306  -6.858   4.989
   68   HG12  ILE   8          HG12      ILE   8  -1.042  -7.672   2.376
   69   HG13  ILE   8          HG13      ILE   8  -0.956  -6.033   3.045
   70   HG21  ILE   8          HG21      ILE   8   0.651  -9.285   5.338
   71   HG22  ILE   8          HG22      ILE   8  -0.031  -9.604   3.722
   72   HG23  ILE   8          HG23      ILE   8   1.508  -8.724   3.899
   73   HD11  ILE   8          HD11      ILE   8   1.380  -7.714   2.047
   74   HD12  ILE   8          HD12      ILE   8   0.709  -6.249   1.306
   75   HD13  ILE   8          HD13      ILE   8   1.543  -6.141   2.873
   76    H    HIS   9           H        HIS   9  -1.483  -6.667   7.354
   77    HA   HIS   9           HA       HIS   9  -0.617  -8.989   8.808
   78    HB2  HIS   9           HB2      HIS   9  -1.698  -6.306   9.710
   79    HB3  HIS   9           HB3      HIS   9  -1.049  -7.533  10.801
   80    HD2  HIS   9           HD2      HIS   9   1.448  -7.339  11.345
   81    HE1  HIS   9           HE1      HIS   9   2.764  -5.052   8.011
   82    HE2  HIS   9           HE2      HIS   9   3.469  -6.117  10.217
   83    H    SER  10           H        SER  10  -3.781  -7.915   7.792
   84    HA   SER  10           HA       SER  10  -5.284  -8.979   9.992
   85    HB2  SER  10           HB2      SER  10  -7.195  -8.772   8.553
   86    HB3  SER  10           HB3      SER  10  -6.153  -7.365   8.270
   87    HG   SER  10           HG       SER  10  -5.474  -8.285   6.366
   88    H    ARG  11           H        ARG  11  -3.591 -10.468   7.333
   89    HA   ARG  11           HA       ARG  11  -5.128 -12.922   7.273
   90    HB2  ARG  11           HB2      ARG  11  -2.323 -12.254   6.307
   91    HB3  ARG  11           HB3      ARG  11  -3.220 -13.732   5.925
   92    HG2  ARG  11           HG2      ARG  11  -5.001 -12.378   4.825
   93    HG3  ARG  11           HG3      ARG  11  -4.119 -10.891   5.231
   94    HD2  ARG  11           HD2      ARG  11  -3.686 -11.500   2.923
   95    HD3  ARG  11           HD3      ARG  11  -2.201 -11.642   3.874
   96    HE   ARG  11           HE       ARG  11  -3.928 -13.931   2.984
   97   HH11  ARG  11          HH11      ARG  11  -0.741 -12.658   3.876
   98   HH12  ARG  11          HH12      ARG  11   0.074 -14.161   3.507
   99   HH21  ARG  11          HH21      ARG  11  -2.828 -15.854   2.519
  100   HH22  ARG  11          HH22      ARG  11  -1.099 -15.955   2.753
  101    H    LEU  12           H        LEU  12  -2.499 -11.672   9.230
  102    HA   LEU  12           HA       LEU  12  -1.875 -14.327  10.332
  103    HB2  LEU  12           HB2      LEU  12  -0.096 -12.756   9.807
  104    HB3  LEU  12           HB3      LEU  12  -0.810 -11.510  10.820
  105    HG   LEU  12           HG       LEU  12   1.216 -12.694  11.708
  106   HD11  LEU  12          HD11      LEU  12   0.503 -12.706  13.994
  107   HD12  LEU  12          HD12      LEU  12  -0.315 -11.380  13.149
  108   HD13  LEU  12          HD13      LEU  12  -1.194 -12.881  13.550
  109   HD21  LEU  12          HD21      LEU  12  -0.707 -14.985  12.226
  110   HD22  LEU  12          HD22      LEU  12   0.615 -14.979  11.027
  111   HD23  LEU  12          HD23      LEU  12   0.979 -14.861  12.764
  112    H    GLN  13           H        GLN  13  -3.623 -11.353  11.095
  113    HA   GLN  13           HA       GLN  13  -4.023 -12.057  13.898
  114    HB2  GLN  13           HB2      GLN  13  -5.142  -9.870  12.118
  115    HB3  GLN  13           HB3      GLN  13  -5.489 -10.014  13.854
  116    HG2  GLN  13           HG2      GLN  13  -3.141  -9.765  14.417
  117    HG3  GLN  13           HG3      GLN  13  -2.673  -9.794  12.711
  118   HE21  GLN  13          HE21      GLN  13  -1.705  -7.694  13.964
  119   HE22  GLN  13          HE22      GLN  13  -2.612  -6.233  13.627
  120    H    ASP  14           H        ASP  14  -5.644 -12.845  10.940
  121    HA   ASP  14           HA       ASP  14  -7.668 -14.306  12.458
  122    HB2  ASP  14           HB2      ASP  14  -8.745 -12.158  12.378
  123    HB3  ASP  14           HB3      ASP  14  -8.369 -11.974  10.661
  124    HN1  NH2  15           HN1      NH2  15  -6.338 -13.333   9.292
  125    HN2  NH2  15           HN2      NH2  15  -6.691 -14.854   8.494
  Start of MODEL   16
    1    H1   TRP   1           H1       TRP   1   1.080   1.532  -1.623
    2    H2   TRP   1           H2       TRP   1   0.732   2.929  -2.420
    3    H3   TRP   1           H3       TRP   1  -0.362   2.286  -1.370
    4    HA   TRP   1           HA       TRP   1   2.277   3.351  -0.665
    5    HB2  TRP   1           HB2      TRP   1   0.632   5.078  -1.310
    6    HB3  TRP   1           HB3      TRP   1  -0.485   4.454  -0.100
    7    HD1  TRP   1           HD1      TRP   1   2.872   6.256  -0.406
    8    HE1  TRP   1           HE1      TRP   1   3.377   7.569   1.719
    9    HE3  TRP   1           HE3      TRP   1  -1.058   4.685   2.454
   10    HZ2  TRP   1           HZ2      TRP   1   2.246   7.866   4.359
   11    HZ3  TRP   1           HZ3      TRP   1  -1.305   5.492   4.790
   12    HH2  TRP   1           HH2      TRP   1   0.334   7.070   5.750
   13    H    TYR   2           H        TYR   2   2.193   3.822   1.855
   14    HA   TYR   2           HA       TYR   2   2.428   1.323   2.998
   15    HB2  TYR   2           HB2      TYR   2   3.787   2.916   3.863
   16    HB3  TYR   2           HB3      TYR   2   2.485   4.089   4.048
   17    HD1  TYR   2           HD1      TYR   2   0.923   3.996   5.940
   18    HD2  TYR   2           HD2      TYR   2   4.240   1.282   5.612
   19    HE1  TYR   2           HE1      TYR   2   0.651   3.389   8.331
   20    HE2  TYR   2           HE2      TYR   2   3.997   0.686   8.011
   21    HH   TYR   2           HH       TYR   2   2.829   1.034   9.935
   22    H    HIS   3           H        HIS   3  -0.623   2.883   2.740
   23    HA   HIS   3           HA       HIS   3  -1.821   1.879   5.122
   24    HB2  HIS   3           HB2      HIS   3  -3.936   2.232   3.978
   25    HB3  HIS   3           HB3      HIS   3  -2.833   3.586   3.703
   26    HD2  HIS   3           HD2      HIS   3  -2.907   4.422   1.271
   27    HE1  HIS   3           HE1      HIS   3  -3.975   0.824  -0.726
   28    HE2  HIS   3           HE2      HIS   3  -3.462   3.310  -1.031
   29    H    ARG   4           H        ARG   4  -0.742   0.241   2.268
   30    HA   ARG   4           HA       ARG   4  -2.490  -2.033   2.397
   31    HB2  ARG   4           HB2      ARG   4   0.240  -1.499   1.184
   32    HB3  ARG   4           HB3      ARG   4  -0.470  -3.121   1.150
   33    HG2  ARG   4           HG2      ARG   4  -1.852  -0.650   0.042
   34    HG3  ARG   4           HG3      ARG   4  -0.920  -1.817  -0.917
   35    HD2  ARG   4           HD2      ARG   4  -2.411  -3.642  -0.083
   36    HD3  ARG   4           HD3      ARG   4  -3.415  -2.428   0.723
   37    HE   ARG   4           HE       ARG   4  -2.977  -2.570  -2.243
   38   HH11  ARG   4          HH11      ARG   4  -5.072  -1.818   0.534
   39   HH12  ARG   4          HH12      ARG   4  -6.433  -1.426  -0.487
   40   HH21  ARG   4          HH21      ARG   4  -4.768  -2.037  -3.503
   41   HH22  ARG   4          HH22      ARG   4  -6.261  -1.527  -2.752
   42    H    LEU   5           H        LEU   5   0.042  -1.088   4.565
   43    HA   LEU   5           HA       LEU   5   0.862  -3.765   5.246
   44    HB2  LEU   5           HB2      LEU   5   1.079  -0.989   6.432
   45    HB3  LEU   5           HB3      LEU   5   1.326  -2.345   7.514
   46    HG   LEU   5           HG       LEU   5   3.441  -1.462   6.556
   47   HD11  LEU   5          HD11      LEU   5   4.416  -3.614   5.977
   48   HD12  LEU   5          HD12      LEU   5   3.257  -3.808   7.307
   49   HD13  LEU   5          HD13      LEU   5   2.810  -4.304   5.657
   50   HD21  LEU   5          HD21      LEU   5   4.024  -1.867   4.226
   51   HD22  LEU   5          HD22      LEU   5   2.417  -2.554   3.907
   52   HD23  LEU   5          HD23      LEU   5   2.577  -0.834   4.313
   53    H    SER   6           H        SER   6  -1.739  -1.599   6.332
   54    HA   SER   6           HA       SER   6  -2.582  -3.213   8.544
   55    HB2  SER   6           HB2      SER   6  -3.257  -0.861   8.228
   56    HB3  SER   6           HB3      SER   6  -4.169  -1.307   6.768
   57    HG   SER   6           HG       SER   6  -5.482  -2.614   8.068
   58    H    HIS   7           H        HIS   7  -2.754  -3.739   5.132
   59    HA   HIS   7           HA       HIS   7  -5.081  -5.535   5.289
   60    HB2  HIS   7           HB2      HIS   7  -4.514  -4.004   3.330
   61    HB3  HIS   7           HB3      HIS   7  -3.135  -5.052   3.000
   62    HD2  HIS   7           HD2      HIS   7  -6.747  -4.682   2.195
   63    HE1  HIS   7           HE1      HIS   7  -5.820  -8.693   1.123
   64    HE2  HIS   7           HE2      HIS   7  -7.545  -6.839   0.928
   65    H    ILE   8           H        ILE   8  -1.515  -5.675   4.932
   66    HA   ILE   8           HA       ILE   8  -1.439  -8.501   4.429
   67    HB   ILE   8           HB       ILE   8   0.664  -6.498   5.322
   68   HG12  ILE   8          HG12      ILE   8   0.182  -7.847   2.623
   69   HG13  ILE   8          HG13      ILE   8  -0.399  -6.226   3.046
   70   HG21  ILE   8          HG21      ILE   8   1.009  -9.384   4.405
   71   HG22  ILE   8          HG22      ILE   8   2.329  -8.234   4.712
   72   HG23  ILE   8          HG23      ILE   8   1.310  -8.774   6.048
   73   HD11  ILE   8          HD11      ILE   8   2.516  -7.102   2.939
   74   HD12  ILE   8          HD12      ILE   8   1.675  -6.037   1.794
   75   HD13  ILE   8          HD13      ILE   8   1.942  -5.505   3.474
   76    H    HIS   9           H        HIS   9  -1.032  -6.509   7.406
   77    HA   HIS   9           HA       HIS   9  -0.410  -8.797   9.049
   78    HB2  HIS   9           HB2      HIS   9  -1.309  -5.955   9.636
   79    HB3  HIS   9           HB3      HIS   9  -0.963  -7.140  10.903
   80    HD2  HIS   9           HD2      HIS   9   1.340  -6.626  11.912
   81    HE1  HIS   9           HE1      HIS   9   3.523  -5.702   8.386
   82    HE2  HIS   9           HE2      HIS   9   3.675  -5.999  10.910
   83    H    SER  10           H        SER  10  -3.434  -7.139   8.130
   84    HA   SER  10           HA       SER  10  -5.064  -8.474  10.090
   85    HB2  SER  10           HB2      SER  10  -5.742  -6.379   9.056
   86    HB3  SER  10           HB3      SER  10  -5.718  -7.127   7.445
   87    HG   SER  10           HG       SER  10  -7.422  -7.762   9.611
   88    H    ARG  11           H        ARG  11  -3.522  -9.627   7.268
   89    HA   ARG  11           HA       ARG  11  -5.532 -11.452   6.323
   90    HB2  ARG  11           HB2      ARG  11  -3.582 -10.469   5.069
   91    HB3  ARG  11           HB3      ARG  11  -2.515 -11.560   5.965
   92    HG2  ARG  11           HG2      ARG  11  -3.643 -13.515   5.038
   93    HG3  ARG  11           HG3      ARG  11  -4.872 -12.480   4.267
   94    HD2  ARG  11           HD2      ARG  11  -3.120 -11.428   2.880
   95    HD3  ARG  11           HD3      ARG  11  -1.886 -12.436   3.642
   96    HE   ARG  11           HE       ARG  11  -3.980 -13.298   1.721
   97   HH11  ARG  11          HH11      ARG  11  -1.227 -14.184   3.770
   98   HH12  ARG  11          HH12      ARG  11  -0.969 -15.706   2.953
   99   HH21  ARG  11          HH21      ARG  11  -3.614 -15.293   0.690
  100   HH22  ARG  11          HH22      ARG  11  -2.333 -16.345   1.240
  101    H    LEU  12           H        LEU  12  -3.359 -11.540   9.030
  102    HA   LEU  12           HA       LEU  12  -4.145 -14.346   9.533
  103    HB2  LEU  12           HB2      LEU  12  -2.112 -14.454   8.205
  104    HB3  LEU  12           HB3      LEU  12  -1.271 -13.366   9.303
  105    HG   LEU  12           HG       LEU  12  -0.696 -15.811   9.442
  106   HD11  LEU  12          HD11      LEU  12  -0.175 -14.202  11.256
  107   HD12  LEU  12          HD12      LEU  12  -1.684 -14.662  12.076
  108   HD13  LEU  12          HD13      LEU  12  -0.417 -15.871  11.808
  109   HD21  LEU  12          HD21      LEU  12  -2.985 -16.698   9.224
  110   HD22  LEU  12          HD22      LEU  12  -2.145 -17.323  10.657
  111   HD23  LEU  12          HD23      LEU  12  -3.386 -16.059  10.838
  112    H    GLN  13           H        GLN  13  -2.641 -11.308  10.705
  113    HA   GLN  13           HA       GLN  13  -2.386 -12.324  13.405
  114    HB2  GLN  13           HB2      GLN  13  -2.309  -9.444  12.419
  115    HB3  GLN  13           HB3      GLN  13  -1.785 -10.035  14.000
  116    HG2  GLN  13           HG2      GLN  13  -0.136 -11.545  12.859
  117    HG3  GLN  13           HG3      GLN  13  -0.579 -10.812  11.314
  118   HE21  GLN  13          HE21      GLN  13   1.971 -10.580  11.704
  119   HE22  GLN  13          HE22      GLN  13   2.445  -9.014  12.327
  120    H    ASP  14           H        ASP  14  -5.091 -11.096  11.646
  121    HA   ASP  14           HA       ASP  14  -6.479 -10.197  14.032
  122    HB2  ASP  14           HB2      ASP  14  -7.327 -10.485  11.156
  123    HB3  ASP  14           HB3      ASP  14  -8.462 -10.054  12.445
  124    HN1  NH2  15           HN1      NH2  15  -5.700 -13.252  13.152
  125    HN2  NH2  15           HN2      NH2  15  -7.065 -14.094  13.862
  Start of MODEL   17
    1    H1   TRP   1           H1       TRP   1   1.273   5.634  -2.028
    2    H2   TRP   1           H2       TRP   1   1.337   7.275  -1.899
    3    H3   TRP   1           H3       TRP   1   0.116   6.434  -1.173
    4    HA   TRP   1           HA       TRP   1   2.963   6.256  -0.475
    5    HB2  TRP   1           HB2      TRP   1   1.838   8.403   0.147
    6    HB3  TRP   1           HB3      TRP   1   0.647   7.465   1.050
    7    HD1  TRP   1           HD1      TRP   1   4.403   8.280   1.103
    8    HE1  TRP   1           HE1      TRP   1   5.291   8.100   3.491
    9    HE3  TRP   1           HE3      TRP   1   0.191   6.505   3.388
   10    HZ2  TRP   1           HZ2      TRP   1   4.301   7.280   6.076
   11    HZ3  TRP   1           HZ3      TRP   1   0.193   6.045   5.821
   12    HH2  TRP   1           HH2      TRP   1   2.230   6.427   7.170
   13    H    TYR   2           H        TYR   2   3.439   4.808   1.273
   14    HA   TYR   2           HA       TYR   2   1.669   2.552   1.221
   15    HB2  TYR   2           HB2      TYR   2   4.373   2.934   2.397
   16    HB3  TYR   2           HB3      TYR   2   3.378   1.533   2.801
   17    HD1  TYR   2           HD1      TYR   2   2.319   0.197   0.859
   18    HD2  TYR   2           HD2      TYR   2   5.681   2.842   0.413
   19    HE1  TYR   2           HE1      TYR   2   2.915  -0.945  -1.246
   20    HE2  TYR   2           HE2      TYR   2   6.308   1.682  -1.700
   21    HH   TYR   2           HH       TYR   2   4.386  -1.043  -3.005
   22    H    HIS   3           H        HIS   3  -0.160   2.534   2.166
   23    HA   HIS   3           HA       HIS   3  -0.164   2.736   5.146
   24    HB2  HIS   3           HB2      HIS   3  -2.361   3.860   5.008
   25    HB3  HIS   3           HB3      HIS   3  -1.086   4.813   4.217
   26    HD2  HIS   3           HD2      HIS   3  -1.746   5.745   1.909
   27    HE1  HIS   3           HE1      HIS   3  -4.744   2.925   0.818
   28    HE2  HIS   3           HE2      HIS   3  -3.528   5.061   0.115
   29    H    ARG   4           H        ARG   4  -0.906   1.144   2.251
   30    HA   ARG   4           HA       ARG   4  -3.234  -0.344   3.138
   31    HB2  ARG   4           HB2      ARG   4  -2.922   0.423   0.839
   32    HB3  ARG   4           HB3      ARG   4  -1.422  -0.498   0.703
   33    HG2  ARG   4           HG2      ARG   4  -3.342  -1.532  -0.432
   34    HG3  ARG   4           HG3      ARG   4  -2.611  -2.595   0.782
   35    HD2  ARG   4           HD2      ARG   4  -5.061  -2.720   0.905
   36    HD3  ARG   4           HD3      ARG   4  -4.417  -1.999   2.382
   37    HE   ARG   4           HE       ARG   4  -5.386   0.054   1.827
   38   HH11  ARG   4          HH11      ARG   4  -5.691  -2.197  -0.896
   39   HH12  ARG   4          HH12      ARG   4  -6.867  -1.200  -1.722
   40   HH21  ARG   4          HH21      ARG   4  -6.921   1.307   0.723
   41   HH22  ARG   4          HH22      ARG   4  -7.537   0.779  -0.827
   42    H    LEU   5           H        LEU   5   0.076  -0.657   3.803
   43    HA   LEU   5           HA       LEU   5   0.468  -3.457   3.610
   44    HB2  LEU   5           HB2      LEU   5   2.320  -1.930   3.967
   45    HB3  LEU   5           HB3      LEU   5   1.597  -1.332   5.466
   46    HG   LEU   5           HG       LEU   5   1.903  -3.561   6.516
   47   HD11  LEU   5          HD11      LEU   5   3.370  -4.225   3.920
   48   HD12  LEU   5          HD12      LEU   5   3.346  -5.226   5.393
   49   HD13  LEU   5          HD13      LEU   5   1.851  -4.966   4.474
   50   HD21  LEU   5          HD21      LEU   5   3.629  -1.811   6.750
   51   HD22  LEU   5          HD22      LEU   5   4.346  -3.438   6.717
   52   HD23  LEU   5          HD23      LEU   5   4.427  -2.402   5.276
   53    H    SER   6           H        SER   6  -1.375  -1.528   5.920
   54    HA   SER   6           HA       SER   6  -1.406  -3.415   8.058
   55    HB2  SER   6           HB2      SER   6  -3.394  -1.264   7.241
   56    HB3  SER   6           HB3      SER   6  -3.455  -2.158   8.771
   57    HG   SER   6           HG       SER   6  -1.331  -0.522   7.853
   58    H    HIS   7           H        HIS   7  -2.858  -3.609   4.932
   59    HA   HIS   7           HA       HIS   7  -5.133  -5.232   5.697
   60    HB2  HIS   7           HB2      HIS   7  -5.034  -3.901   3.614
   61    HB3  HIS   7           HB3      HIS   7  -3.661  -4.866   3.058
   62    HD2  HIS   7           HD2      HIS   7  -7.415  -4.785   3.021
   63    HE1  HIS   7           HE1      HIS   7  -6.367  -8.652   1.589
   64    HE2  HIS   7           HE2      HIS   7  -8.271  -6.976   1.873
   65    H    ILE   8           H        ILE   8  -1.721  -5.817   4.870
   66    HA   ILE   8           HA       ILE   8  -2.078  -8.613   4.287
   67    HB   ILE   8           HB       ILE   8   0.302  -6.825   4.850
   68   HG12  ILE   8          HG12      ILE   8   0.933  -7.474   2.545
   69   HG13  ILE   8          HG13      ILE   8  -0.522  -8.471   2.420
   70   HG21  ILE   8          HG21      ILE   8   0.363  -9.826   4.356
   71   HG22  ILE   8          HG22      ILE   8   1.774  -8.742   4.305
   72   HG23  ILE   8          HG23      ILE   8   0.907  -8.982   5.829
   73   HD11  ILE   8          HD11      ILE   8  -1.945  -6.494   2.540
   74   HD12  ILE   8          HD12      ILE   8  -0.532  -5.460   2.897
   75   HD13  ILE   8          HD13      ILE   8  -0.702  -6.238   1.306
   76    H    HIS   9           H        HIS   9  -1.365  -6.746   7.232
   77    HA   HIS   9           HA       HIS   9  -0.629  -9.015   8.821
   78    HB2  HIS   9           HB2      HIS   9  -1.595  -6.236   9.560
   79    HB3  HIS   9           HB3      HIS   9  -0.985  -7.426  10.717
   80    HD2  HIS   9           HD2      HIS   9   1.516  -7.158  11.280
   81    HE1  HIS   9           HE1      HIS   9   2.887  -5.294   7.714
   82    HE2  HIS   9           HE2      HIS   9   3.562  -6.112  10.030
   83    H    SER  10           H        SER  10  -3.732  -7.971   7.661
   84    HA   SER  10           HA       SER  10  -5.281  -8.854   9.927
   85    HB2  SER  10           HB2      SER  10  -7.168  -8.670   8.464
   86    HB3  SER  10           HB3      SER  10  -6.085  -7.316   8.079
   87    HG   SER  10           HG       SER  10  -5.427  -8.399   6.253
   88    H    ARG  11           H        ARG  11  -3.640 -10.491   7.291
   89    HA   ARG  11           HA       ARG  11  -5.187 -12.939   7.435
   90    HB2  ARG  11           HB2      ARG  11  -2.408 -12.376   6.335
   91    HB3  ARG  11           HB3      ARG  11  -3.366 -13.850   6.064
   92    HG2  ARG  11           HG2      ARG  11  -5.131 -12.516   4.960
   93    HG3  ARG  11           HG3      ARG  11  -4.196 -11.031   5.236
   94    HD2  ARG  11           HD2      ARG  11  -3.855 -11.798   2.945
   95    HD3  ARG  11           HD3      ARG  11  -2.350 -11.937   3.865
   96    HE   ARG  11           HE       ARG  11  -4.191 -14.223   3.228
   97   HH11  ARG  11          HH11      ARG  11  -0.921 -12.974   3.760
   98   HH12  ARG  11          HH12      ARG  11  -0.167 -14.523   3.457
   99   HH21  ARG  11          HH21      ARG  11  -3.174 -16.213   2.838
  100   HH22  ARG  11          HH22      ARG  11  -1.435 -16.340   2.921
  101    H    LEU  12           H        LEU  12  -2.473 -11.573   9.208
  102    HA   LEU  12           HA       LEU  12  -1.785 -14.140  10.465
  103    HB2  LEU  12           HB2      LEU  12  -0.023 -12.591   9.954
  104    HB3  LEU  12           HB3      LEU  12  -0.827 -11.268  10.807
  105    HG   LEU  12           HG       LEU  12  -0.162 -13.759  12.366
  106   HD11  LEU  12          HD11      LEU  12   1.852 -11.608  11.587
  107   HD12  LEU  12          HD12      LEU  12   2.109 -12.901  12.780
  108   HD13  LEU  12          HD13      LEU  12   1.881 -13.310  11.063
  109   HD21  LEU  12          HD21      LEU  12  -1.340 -11.828  13.452
  110   HD22  LEU  12          HD22      LEU  12   0.279 -12.076  14.137
  111   HD23  LEU  12          HD23      LEU  12  -0.005 -10.763  12.976
  112    H    GLN  13           H        GLN  13  -3.786 -11.308  11.051
  113    HA   GLN  13           HA       GLN  13  -4.181 -11.823  13.876
  114    HB2  GLN  13           HB2      GLN  13  -4.403  -9.576  12.923
  115    HB3  GLN  13           HB3      GLN  13  -5.690 -10.133  11.843
  116    HG2  GLN  13           HG2      GLN  13  -6.671  -8.940  13.716
  117    HG3  GLN  13           HG3      GLN  13  -7.129 -10.641  13.794
  118   HE21  GLN  13          HE21      GLN  13  -7.626  -9.919  16.100
  119   HE22  GLN  13          HE22      GLN  13  -6.314 -10.014  17.259
  120    H    ASP  14           H        ASP  14  -5.691 -12.890  10.878
  121    HA   ASP  14           HA       ASP  14  -8.006 -13.996  12.211
  122    HB2  ASP  14           HB2      ASP  14  -7.005 -14.130   9.378
  123    HB3  ASP  14           HB3      ASP  14  -8.414 -15.049   9.941
  124    HN1  NH2  15           HN1      NH2  15  -4.943 -15.046  12.508
  125    HN2  NH2  15           HN2      NH2  15  -5.246 -16.764  12.650
  Start of MODEL   18
    1    H1   TRP   1           H1       TRP   1   4.880   4.868  -0.759
    2    H2   TRP   1           H2       TRP   1   5.691   3.508  -1.219
    3    H3   TRP   1           H3       TRP   1   6.497   4.750  -0.494
    4    HA   TRP   1           HA       TRP   1   6.179   2.951   1.029
    5    HB2  TRP   1           HB2      TRP   1   6.299   5.205   1.927
    6    HB3  TRP   1           HB3      TRP   1   4.572   5.441   1.608
    7    HD1  TRP   1           HD1      TRP   1   6.884   3.405   3.917
    8    HE1  TRP   1           HE1      TRP   1   5.631   2.806   6.055
    9    HE3  TRP   1           HE3      TRP   1   2.275   5.210   2.666
   10    HZ2  TRP   1           HZ2      TRP   1   2.956   3.109   7.120
   11    HZ3  TRP   1           HZ3      TRP   1   0.399   5.071   4.272
   12    HH2  TRP   1           HH2      TRP   1   0.718   4.018   6.490
   13    H    TYR   2           H        TYR   2   4.954   1.254   1.722
   14    HA   TYR   2           HA       TYR   2   2.406   0.978   0.413
   15    HB2  TYR   2           HB2      TYR   2   4.042  -0.932   2.004
   16    HB3  TYR   2           HB3      TYR   2   2.348  -1.253   1.594
   17    HD1  TYR   2           HD1      TYR   2   5.658  -1.658   0.435
   18    HD2  TYR   2           HD2      TYR   2   1.664  -0.806  -0.909
   19    HE1  TYR   2           HE1      TYR   2   6.273  -2.403  -1.855
   20    HE2  TYR   2           HE2      TYR   2   2.263  -1.529  -3.194
   21    HH   TYR   2           HH       TYR   2   3.923  -2.344  -4.563
   22    H    HIS   3           H        HIS   3   0.810   2.110   1.011
   23    HA   HIS   3           HA       HIS   3   0.101   2.549   3.790
   24    HB2  HIS   3           HB2      HIS   3  -1.852   3.673   2.747
   25    HB3  HIS   3           HB3      HIS   3  -0.294   4.151   2.027
   26    HD2  HIS   3           HD2      HIS   3  -0.147   4.095  -0.529
   27    HE1  HIS   3           HE1      HIS   3  -3.448   1.557  -1.391
   28    HE2  HIS   3           HE2      HIS   3  -1.605   3.005  -2.406
   29    H    ARG   4           H        ARG   4  -0.494   0.034   1.501
   30    HA   ARG   4           HA       ARG   4  -2.941  -0.915   2.773
   31    HB2  ARG   4           HB2      ARG   4  -2.787  -2.796   1.203
   32    HB3  ARG   4           HB3      ARG   4  -2.743  -1.213   0.440
   33    HG2  ARG   4           HG2      ARG   4  -1.180  -2.558  -0.687
   34    HG3  ARG   4           HG3      ARG   4  -0.226  -1.423   0.275
   35    HD2  ARG   4           HD2      ARG   4   0.208  -3.167   1.957
   36    HD3  ARG   4           HD3      ARG   4  -0.850  -4.295   1.094
   37    HE   ARG   4           HE       ARG   4   1.889  -3.506   0.380
   38   HH11  ARG   4          HH11      ARG   4  -1.097  -5.074  -0.710
   39   HH12  ARG   4          HH12      ARG   4  -0.290  -5.960  -1.986
   40   HH21  ARG   4          HH21      ARG   4   2.896  -4.688  -1.272
   41   HH22  ARG   4          HH22      ARG   4   1.946  -5.747  -2.297
   42    H    LEU   5           H        LEU   5  -0.083  -0.778   4.152
   43    HA   LEU   5           HA       LEU   5   0.693  -3.405   4.800
   44    HB2  LEU   5           HB2      LEU   5   2.101  -1.499   5.286
   45    HB3  LEU   5           HB3      LEU   5   0.847  -0.763   6.289
   46    HG   LEU   5           HG       LEU   5   1.053  -2.611   7.932
   47   HD11  LEU   5          HD11      LEU   5   3.395  -3.470   6.180
   48   HD12  LEU   5          HD12      LEU   5   3.005  -4.131   7.788
   49   HD13  LEU   5          HD13      LEU   5   1.891  -4.388   6.432
   50   HD21  LEU   5          HD21      LEU   5   2.335  -0.527   8.204
   51   HD22  LEU   5          HD22      LEU   5   3.233  -1.928   8.830
   52   HD23  LEU   5          HD23      LEU   5   3.672  -1.214   7.256
   53    H    SER   6           H        SER   6  -1.973  -1.416   6.060
   54    HA   SER   6           HA       SER   6  -2.443  -2.872   8.460
   55    HB2  SER   6           HB2      SER   6  -4.338  -1.285   6.680
   56    HB3  SER   6           HB3      SER   6  -4.691  -1.805   8.340
   57    HG   SER   6           HG       SER   6  -3.863   0.325   8.234
   58    H    HIS   7           H        HIS   7  -2.862  -3.865   5.187
   59    HA   HIS   7           HA       HIS   7  -5.139  -5.608   5.612
   60    HB2  HIS   7           HB2      HIS   7  -4.484  -4.710   3.399
   61    HB3  HIS   7           HB3      HIS   7  -2.953  -5.586   3.496
   62    HD2  HIS   7           HD2      HIS   7  -2.966  -7.775   2.156
   63    HE1  HIS   7           HE1      HIS   7  -7.091  -8.769   2.370
   64    HE2  HIS   7           HE2      HIS   7  -4.837  -9.460   1.425
   65    H    ILE   8           H        ILE   8  -1.601  -5.877   5.940
   66    HA   ILE   8           HA       ILE   8  -1.586  -8.752   5.993
   67    HB   ILE   8           HB       ILE   8   0.457  -6.713   6.956
   68   HG12  ILE   8          HG12      ILE   8   0.121  -8.210   4.321
   69   HG13  ILE   8          HG13      ILE   8  -0.097  -6.474   4.576
   70   HG21  ILE   8          HG21      ILE   8   0.757  -9.690   6.349
   71   HG22  ILE   8          HG22      ILE   8   2.076  -8.580   6.785
   72   HG23  ILE   8          HG23      ILE   8   0.811  -8.944   7.966
   73   HD11  ILE   8          HD11      ILE   8   2.514  -8.025   4.789
   74   HD12  ILE   8          HD12      ILE   8   2.067  -6.845   3.554
   75   HD13  ILE   8          HD13      ILE   8   2.326  -6.309   5.232
   76    H    HIS   9           H        HIS   9  -2.008  -6.213   8.401
   77    HA   HIS   9           HA       HIS   9  -1.572  -7.829  10.724
   78    HB2  HIS   9           HB2      HIS   9  -3.046  -5.211  10.294
   79    HB3  HIS   9           HB3      HIS   9  -2.747  -5.937  11.877
   80    HD2  HIS   9           HD2      HIS   9  -0.671  -5.012  13.066
   81    HE1  HIS   9           HE1      HIS   9   1.700  -3.906   9.720
   82    HE2  HIS   9           HE2      HIS   9   1.580  -3.945  12.258
   83    H    SER  10           H        SER  10  -3.976  -8.180   8.434
   84    HA   SER  10           HA       SER  10  -5.724  -9.517  10.430
   85    HB2  SER  10           HB2      SER  10  -6.632  -7.608   8.246
   86    HB3  SER  10           HB3      SER  10  -7.711  -8.677   9.170
   87    HG   SER  10           HG       SER  10  -7.572  -6.587  10.073
   88    H    ARG  11           H        ARG  11  -3.965  -9.705   7.525
   89    HA   ARG  11           HA       ARG  11  -5.711 -11.572   6.138
   90    HB2  ARG  11           HB2      ARG  11  -4.140 -10.110   4.956
   91    HB3  ARG  11           HB3      ARG  11  -2.773 -10.881   5.780
   92    HG2  ARG  11           HG2      ARG  11  -3.277 -13.028   4.713
   93    HG3  ARG  11           HG3      ARG  11  -4.735 -12.340   3.958
   94    HD2  ARG  11           HD2      ARG  11  -3.339 -10.713   2.736
   95    HD3  ARG  11           HD3      ARG  11  -1.883 -11.388   3.474
   96    HE   ARG  11           HE       ARG  11  -3.649 -12.732   1.481
   97   HH11  ARG  11          HH11      ARG  11  -0.596 -12.655   3.289
   98   HH12  ARG  11          HH12      ARG  11   0.138 -13.901   2.307
   99   HH21  ARG  11          HH21      ARG  11  -2.653 -14.341   0.229
  100   HH22  ARG  11          HH22      ARG  11  -1.020 -14.853   0.587
  101    H    LEU  12           H        LEU  12  -3.126 -11.803   8.516
  102    HA   LEU  12           HA       LEU  12  -3.686 -14.670   8.848
  103    HB2  LEU  12           HB2      LEU  12  -2.064 -14.664   7.067
  104    HB3  LEU  12           HB3      LEU  12  -0.976 -13.604   7.964
  105    HG   LEU  12           HG       LEU  12  -1.765 -16.202   9.262
  106   HD11  LEU  12          HD11      LEU  12   0.237 -15.947   6.979
  107   HD12  LEU  12          HD12      LEU  12   0.005 -17.387   8.006
  108   HD13  LEU  12          HD13      LEU  12  -1.297 -16.849   6.931
  109   HD21  LEU  12          HD21      LEU  12   0.879 -14.680   8.998
  110   HD22  LEU  12          HD22      LEU  12  -0.213 -14.590  10.402
  111   HD23  LEU  12          HD23      LEU  12   0.593 -16.114  10.014
  112    H    GLN  13           H        GLN  13  -2.212 -11.639   9.944
  113    HA   GLN  13           HA       GLN  13  -1.133 -12.672  12.387
  114    HB2  GLN  13           HB2      GLN  13  -0.371 -10.601  11.330
  115    HB3  GLN  13           HB3      GLN  13  -1.979  -9.887  11.503
  116    HG2  GLN  13           HG2      GLN  13  -0.483  -8.993  13.194
  117    HG3  GLN  13           HG3      GLN  13  -1.761  -9.929  13.958
  118   HE21  GLN  13          HE21      GLN  13  -0.126  -9.832  15.791
  119   HE22  GLN  13          HE22      GLN  13   1.087 -11.093  15.846
  120    H    ASP  14           H        ASP  14  -4.395 -12.062  11.395
  121    HA   ASP  14           HA       ASP  14  -5.447 -11.377  13.960
  122    HB2  ASP  14           HB2      ASP  14  -6.724 -10.735  12.118
  123    HB3  ASP  14           HB3      ASP  14  -6.665 -12.335  11.395
  124    HN1  NH2  15           HN1      NH2  15  -5.539 -12.517  15.738
  125    HN2  NH2  15           HN2      NH2  15  -5.762 -14.256  15.829
  Start of MODEL   19
    1    H1   TRP   1           H1       TRP   1  -0.001   1.740  -2.563
    2    H2   TRP   1           H2       TRP   1  -0.158   3.265  -3.166
    3    H3   TRP   1           H3       TRP   1  -0.883   2.866  -1.744
    4    HA   TRP   1           HA       TRP   1   2.006   2.953  -2.232
    5    HB2  TRP   1           HB2      TRP   1   0.926   5.172  -2.174
    6    HB3  TRP   1           HB3      TRP   1   0.243   4.796  -0.598
    7    HD1  TRP   1           HD1      TRP   1   3.598   5.494  -2.310
    8    HE1  TRP   1           HE1      TRP   1   5.298   6.325  -0.606
    9    HE3  TRP   1           HE3      TRP   1   0.835   4.880   1.954
   10    HZ2  TRP   1           HZ2      TRP   1   5.474   6.636   2.257
   11    HZ3  TRP   1           HZ3      TRP   1   1.808   5.435   4.160
   12    HH2  TRP   1           HH2      TRP   1   4.120   6.307   4.329
   13    H    TYR   2           H        TYR   2   3.097   3.115   0.084
   14    HA   TYR   2           HA       TYR   2   2.927   0.563   1.093
   15    HB2  TYR   2           HB2      TYR   2   4.949   1.562   1.292
   16    HB3  TYR   2           HB3      TYR   2   4.282   3.041   1.978
   17    HD1  TYR   2           HD1      TYR   2   3.602   3.180   4.338
   18    HD2  TYR   2           HD2      TYR   2   5.575  -0.287   2.734
   19    HE1  TYR   2           HE1      TYR   2   4.130   2.431   6.635
   20    HE2  TYR   2           HE2      TYR   2   6.133  -1.036   5.034
   21    HH   TYR   2           HH       TYR   2   5.164   0.846   7.924
   22    H    HIS   3           H        HIS   3   0.668   2.948   2.033
   23    HA   HIS   3           HA       HIS   3   0.294   2.098   4.753
   24    HB2  HIS   3           HB2      HIS   3  -1.813   3.303   4.616
   25    HB3  HIS   3           HB3      HIS   3  -0.524   4.235   3.836
   26    HD2  HIS   3           HD2      HIS   3  -1.283   5.339   1.642
   27    HE1  HIS   3           HE1      HIS   3  -4.293   2.585   0.432
   28    HE2  HIS   3           HE2      HIS   3  -3.105   4.766  -0.152
   29    H    ARG   4           H        ARG   4  -0.362   0.561   1.783
   30    HA   ARG   4           HA       ARG   4  -2.712  -0.907   2.441
   31    HB2  ARG   4           HB2      ARG   4  -0.836  -0.693   0.278
   32    HB3  ARG   4           HB3      ARG   4  -0.967  -2.410   0.691
   33    HG2  ARG   4           HG2      ARG   4  -3.310  -0.547   0.148
   34    HG3  ARG   4           HG3      ARG   4  -2.625  -1.697  -1.020
   35    HD2  ARG   4           HD2      ARG   4  -3.124  -3.575   0.528
   36    HD3  ARG   4           HD3      ARG   4  -3.884  -2.440   1.653
   37    HE   ARG   4           HE       ARG   4  -5.621  -2.003   0.014
   38   HH11  ARG   4          HH11      ARG   4  -3.527  -4.759  -0.747
   39   HH12  ARG   4          HH12      ARG   4  -4.708  -5.489  -1.813
   40   HH21  ARG   4          HH21      ARG   4  -7.112  -2.985  -1.358
   41   HH22  ARG   4          HH22      ARG   4  -6.708  -4.483  -2.171
   42    H    LEU   5           H        LEU   5   0.486  -1.147   3.709
   43    HA   LEU   5           HA       LEU   5   0.573  -3.962   4.183
   44    HB2  LEU   5           HB2      LEU   5   2.558  -2.618   4.259
   45    HB3  LEU   5           HB3      LEU   5   1.902  -1.565   5.513
   46    HG   LEU   5           HG       LEU   5   2.121  -4.503   6.131
   47   HD11  LEU   5          HD11      LEU   5   4.484  -4.203   6.802
   48   HD12  LEU   5          HD12      LEU   5   4.267  -3.987   5.050
   49   HD13  LEU   5          HD13      LEU   5   4.474  -2.568   6.106
   50   HD21  LEU   5          HD21      LEU   5   1.208  -2.788   7.779
   51   HD22  LEU   5          HD22      LEU   5   2.651  -3.641   8.365
   52   HD23  LEU   5          HD23      LEU   5   2.791  -1.984   7.735
   53    H    SER   6           H        SER   6  -1.203  -1.356   5.743
   54    HA   SER   6           HA       SER   6  -1.657  -2.674   8.251
   55    HB2  SER   6           HB2      SER   6  -3.201  -0.514   6.772
   56    HB3  SER   6           HB3      SER   6  -3.488  -1.006   8.459
   57    HG   SER   6           HG       SER   6  -2.074   0.792   8.284
   58    H    HIS   7           H        HIS   7  -2.816  -3.381   5.093
   59    HA   HIS   7           HA       HIS   7  -5.400  -4.458   5.965
   60    HB2  HIS   7           HB2      HIS   7  -4.936  -3.335   3.755
   61    HB3  HIS   7           HB3      HIS   7  -3.914  -4.708   3.326
   62    HD2  HIS   7           HD2      HIS   7  -7.500  -3.561   3.366
   63    HE1  HIS   7           HE1      HIS   7  -7.652  -7.657   2.237
   64    HE2  HIS   7           HE2      HIS   7  -8.997  -5.508   2.445
   65    H    ILE   8           H        ILE   8  -2.104  -5.537   5.742
   66    HA   ILE   8           HA       ILE   8  -2.687  -8.277   5.064
   67    HB   ILE   8           HB       ILE   8  -0.199  -6.900   6.154
   68   HG12  ILE   8          HG12      ILE   8  -1.004  -7.738   3.327
   69   HG13  ILE   8          HG13      ILE   8  -1.048  -6.080   3.954
   70   HG21  ILE   8          HG21      ILE   8  -0.508  -9.672   4.921
   71   HG22  ILE   8          HG22      ILE   8   1.037  -8.890   5.324
   72   HG23  ILE   8          HG23      ILE   8  -0.089  -9.316   6.612
   73   HD11  ILE   8          HD11      ILE   8   1.413  -6.199   4.367
   74   HD12  ILE   8          HD12      ILE   8   1.434  -7.798   3.577
   75   HD13  ILE   8          HD13      ILE   8   0.961  -6.357   2.655
   76    H    HIS   9           H        HIS   9  -2.712  -6.465   8.062
   77    HA   HIS   9           HA       HIS   9  -1.916  -8.524   9.841
   78    HB2  HIS   9           HB2      HIS   9  -3.786  -6.173  10.259
   79    HB3  HIS   9           HB3      HIS   9  -3.105  -7.174  11.551
   80    HD2  HIS   9           HD2      HIS   9  -0.847  -6.354  12.529
   81    HE1  HIS   9           HE1      HIS   9   0.407  -3.784   9.386
   82    HE2  HIS   9           HE2      HIS   9   0.951  -4.633  11.721
   83    H    SER  10           H        SER  10  -4.973  -8.071   8.115
   84    HA   SER  10           HA       SER  10  -6.463  -9.726   9.977
   85    HB2  SER  10           HB2      SER  10  -8.264  -9.564   8.331
   86    HB3  SER  10           HB3      SER  10  -7.535  -7.963   8.567
   87    HG   SER  10           HG       SER  10  -7.807  -8.468   6.355
   88    H    ARG  11           H        ARG  11  -4.049 -10.478   7.806
   89    HA   ARG  11           HA       ARG  11  -5.051 -13.285   7.551
   90    HB2  ARG  11           HB2      ARG  11  -3.195 -11.765   5.681
   91    HB3  ARG  11           HB3      ARG  11  -3.691 -13.455   5.508
   92    HG2  ARG  11           HG2      ARG  11  -6.069 -12.713   5.280
   93    HG3  ARG  11           HG3      ARG  11  -5.543 -11.026   5.447
   94    HD2  ARG  11           HD2      ARG  11  -5.843 -11.524   3.095
   95    HD3  ARG  11           HD3      ARG  11  -4.131 -11.261   3.427
   96    HE   ARG  11           HE       ARG  11  -3.671 -13.512   2.999
   97   HH11  ARG  11          HH11      ARG  11  -7.165 -12.940   2.955
   98   HH12  ARG  11          HH12      ARG  11  -7.519 -14.480   2.199
   99   HH21  ARG  11          HH21      ARG  11  -4.175 -15.518   2.041
  100   HH22  ARG  11          HH22      ARG  11  -5.835 -15.928   1.687
  101    H    LEU  12           H        LEU  12  -2.511 -11.090   8.544
  102    HA   LEU  12           HA       LEU  12  -0.603 -13.241   9.092
  103    HB2  LEU  12           HB2      LEU  12   0.215 -11.148   8.281
  104    HB3  LEU  12           HB3      LEU  12  -0.625 -10.231   9.531
  105    HG   LEU  12           HG       LEU  12   1.371 -12.294  10.430
  106   HD11  LEU  12          HD11      LEU  12   2.083  -9.580   9.255
  107   HD12  LEU  12          HD12      LEU  12   3.199 -10.669  10.133
  108   HD13  LEU  12          HD13      LEU  12   2.511 -11.157   8.569
  109   HD21  LEU  12          HD21      LEU  12   0.722  -9.440  11.311
  110   HD22  LEU  12          HD22      LEU  12   0.074 -10.903  12.079
  111   HD23  LEU  12          HD23      LEU  12   1.817 -10.562  12.144
  112    H    GLN  13           H        GLN  13  -3.267 -11.699  10.696
  113    HA   GLN  13           HA       GLN  13  -2.520 -13.075  13.232
  114    HB2  GLN  13           HB2      GLN  13  -1.919 -10.638  13.297
  115    HB3  GLN  13           HB3      GLN  13  -3.616 -10.243  13.008
  116    HG2  GLN  13           HG2      GLN  13  -4.290 -11.325  15.093
  117    HG3  GLN  13           HG3      GLN  13  -2.648 -11.919  15.360
  118   HE21  GLN  13          HE21      GLN  13  -3.376 -10.658  17.474
  119   HE22  GLN  13          HE22      GLN  13  -2.835  -8.995  17.541
  120    H    ASP  14           H        ASP  14  -4.957 -11.971  10.952
  121    HA   ASP  14           HA       ASP  14  -7.166 -12.275  10.805
  122    HB2  ASP  14           HB2      ASP  14  -6.497 -14.497  10.324
  123    HB3  ASP  14           HB3      ASP  14  -6.394 -14.912  12.032
  124    HN1  NH2  15           HN1      NH2  15  -6.497 -10.603  12.930
  125    HN2  NH2  15           HN2      NH2  15  -7.756 -10.756  14.137
  Start of MODEL   20
    1    H1   TRP   1           H1       TRP   1   0.486   1.460  -4.035
    2    H2   TRP   1           H2       TRP   1  -0.481   1.066  -2.759
    3    H3   TRP   1           H3       TRP   1   0.911   0.233  -3.022
    4    HA   TRP   1           HA       TRP   1   2.238   2.144  -2.568
    5    HB2  TRP   1           HB2      TRP   1   0.578   3.770  -3.385
    6    HB3  TRP   1           HB3      TRP   1  -0.434   3.452  -1.985
    7    HD1  TRP   1           HD1      TRP   1   2.921   5.048  -2.941
    8    HE1  TRP   1           HE1      TRP   1   3.628   6.733  -1.172
    9    HE3  TRP   1           HE3      TRP   1  -0.755   4.182   0.511
   10    HZ2  TRP   1           HZ2      TRP   1   2.754   7.571   1.462
   11    HZ3  TRP   1           HZ3      TRP   1  -0.769   5.424   2.652
   12    HH2  TRP   1           HH2      TRP   1   0.975   7.112   3.139
   13    H    TYR   2           H        TYR   2   2.411   3.116  -0.198
   14    HA   TYR   2           HA       TYR   2   2.736   0.885   1.385
   15    HB2  TYR   2           HB2      TYR   2   4.194   2.568   1.793
   16    HB3  TYR   2           HB3      TYR   2   2.941   3.799   1.878
   17    HD1  TYR   2           HD1      TYR   2   1.578   4.121   3.886
   18    HD2  TYR   2           HD2      TYR   2   4.824   1.301   3.775
   19    HE1  TYR   2           HE1      TYR   2   1.538   3.998   6.359
   20    HE2  TYR   2           HE2      TYR   2   4.811   1.185   6.254
   21    HH   TYR   2           HH       TYR   2   2.502   3.075   8.238
   22    H    HIS   3           H        HIS   3  -0.311   2.421   1.114
   23    HA   HIS   3           HA       HIS   3  -1.276   2.005   3.760
   24    HB2  HIS   3           HB2      HIS   3  -3.493   2.154   2.763
   25    HB3  HIS   3           HB3      HIS   3  -2.416   3.374   2.070
   26    HD2  HIS   3           HD2      HIS   3  -2.671   3.600  -0.492
   27    HE1  HIS   3           HE1      HIS   3  -4.031  -0.313  -1.451
   28    HE2  HIS   3           HE2      HIS   3  -3.468   1.989  -2.392
   29    H    ARG   4           H        ARG   4  -0.483  -0.263   1.282
   30    HA   ARG   4           HA       ARG   4  -2.201  -2.410   2.101
   31    HB2  ARG   4           HB2      ARG   4   0.306  -2.132   0.451
   32    HB3  ARG   4           HB3      ARG   4  -0.169  -3.748   0.986
   33    HG2  ARG   4           HG2      ARG   4  -2.038  -1.878  -0.511
   34    HG3  ARG   4           HG3      ARG   4  -1.038  -3.136  -1.268
   35    HD2  ARG   4           HD2      ARG   4  -2.117  -4.848   0.199
   36    HD3  ARG   4           HD3      ARG   4  -3.166  -3.595   0.868
   37    HE   ARG   4           HE       ARG   4  -4.113  -3.280  -1.406
   38   HH11  ARG   4          HH11      ARG   4  -2.387  -6.309  -0.743
   39   HH12  ARG   4          HH12      ARG   4  -3.220  -7.176  -2.010
   40   HH21  ARG   4          HH21      ARG   4  -5.159  -4.441  -3.033
   41   HH22  ARG   4          HH22      ARG   4  -4.782  -6.129  -3.295
   42    H    LEU   5           H        LEU   5   0.484  -0.998   3.725
   43    HA   LEU   5           HA       LEU   5   1.519  -3.357   4.948
   44    HB2  LEU   5           HB2      LEU   5   2.717  -1.244   4.860
   45    HB3  LEU   5           HB3      LEU   5   1.474  -0.438   5.808
   46    HG   LEU   5           HG       LEU   5   3.627  -1.003   6.984
   47   HD11  LEU   5          HD11      LEU   5   2.626  -1.576   9.081
   48   HD12  LEU   5          HD12      LEU   5   1.502  -0.516   8.197
   49   HD13  LEU   5          HD13      LEU   5   1.195  -2.267   8.306
   50   HD21  LEU   5          HD21      LEU   5   3.990  -3.268   7.792
   51   HD22  LEU   5          HD22      LEU   5   2.562  -3.849   6.913
   52   HD23  LEU   5          HD23      LEU   5   3.975  -3.234   6.014
   53    H    SER   6           H        SER   6  -1.123  -1.105   5.838
   54    HA   SER   6           HA       SER   6  -1.687  -2.485   8.328
   55    HB2  SER   6           HB2      SER   6  -2.092  -0.070   8.003
   56    HB3  SER   6           HB3      SER   6  -3.299  -0.441   6.749
   57    HG   SER   6           HG       SER   6  -4.496  -1.544   8.328
   58    H    HIS   7           H        HIS   7  -2.303  -3.262   5.068
   59    HA   HIS   7           HA       HIS   7  -4.953  -4.413   5.451
   60    HB2  HIS   7           HB2      HIS   7  -3.846  -3.414   3.324
   61    HB3  HIS   7           HB3      HIS   7  -3.008  -4.958   3.188
   62    HD2  HIS   7           HD2      HIS   7  -6.194  -3.251   2.263
   63    HE1  HIS   7           HE1      HIS   7  -7.020  -7.386   1.722
   64    HE2  HIS   7           HE2      HIS   7  -7.853  -5.018   1.282
   65    H    ILE   8           H        ILE   8  -1.628  -5.405   5.839
   66    HA   ILE   8           HA       ILE   8  -2.089  -8.240   5.533
   67    HB   ILE   8           HB       ILE   8   0.178  -6.571   6.661
   68   HG12  ILE   8          HG12      ILE   8  -0.026  -8.143   4.060
   69   HG13  ILE   8          HG13      ILE   8  -0.407  -6.417   4.198
   70   HG21  ILE   8          HG21      ILE   8   0.123  -9.562   6.079
   71   HG22  ILE   8          HG22      ILE   8   1.566  -8.625   6.532
   72   HG23  ILE   8          HG23      ILE   8   0.249  -8.813   7.690
   73   HD11  ILE   8          HD11      ILE   8   2.302  -7.691   4.761
   74   HD12  ILE   8          HD12      ILE   8   1.864  -6.668   3.384
   75   HD13  ILE   8          HD13      ILE   8   1.897  -5.969   5.013
   76    H    HIS   9           H        HIS   9  -2.313  -5.930   8.194
   77    HA   HIS   9           HA       HIS   9  -2.183  -7.831  10.334
   78    HB2  HIS   9           HB2      HIS   9  -3.491  -5.093  10.141
   79    HB3  HIS   9           HB3      HIS   9  -3.297  -6.012  11.637
   80    HD2  HIS   9           HD2      HIS   9  -1.231  -5.347  13.013
   81    HE1  HIS   9           HE1      HIS   9   1.307  -3.925   9.913
   82    HE2  HIS   9           HE2      HIS   9   1.075  -4.261  12.429
   83    H    SER  10           H        SER  10  -3.891  -8.687  11.620
   84    HA   SER  10           HA       SER  10  -5.680 -10.027  11.801
   85    HB2  SER  10           HB2      SER  10  -7.080  -7.590  10.649
   86    HB3  SER  10           HB3      SER  10  -7.857  -8.956  11.486
   87    HG   SER  10           HG       SER  10  -7.403  -7.221  12.896
   88    H    ARG  11           H        ARG  11  -4.192 -10.201   9.215
   89    HA   ARG  11           HA       ARG  11  -6.213 -11.904   7.870
   90    HB2  ARG  11           HB2      ARG  11  -6.250  -9.789   6.656
   91    HB3  ARG  11           HB3      ARG  11  -4.485  -9.809   6.500
   92    HG2  ARG  11           HG2      ARG  11  -4.583 -11.844   5.127
   93    HG3  ARG  11           HG3      ARG  11  -6.349 -11.916   5.333
   94    HD2  ARG  11           HD2      ARG  11  -6.555  -9.713   4.220
   95    HD3  ARG  11           HD3      ARG  11  -4.800  -9.650   4.016
   96    HE   ARG  11           HE       ARG  11  -4.894 -11.350   2.377
   97   HH11  ARG  11          HH11      ARG  11  -8.108 -10.549   3.615
   98   HH12  ARG  11          HH12      ARG  11  -8.935 -11.328   2.285
   99   HH21  ARG  11          HH21      ARG  11  -5.994 -12.344   0.666
  100   HH22  ARG  11          HH22      ARG  11  -7.743 -12.340   0.620
  101    H    LEU  12           H        LEU  12  -2.805 -10.947   8.374
  102    HA   LEU  12           HA       LEU  12  -1.814 -13.504   7.370
  103    HB2  LEU  12           HB2      LEU  12  -0.521 -11.522   7.029
  104    HB3  LEU  12           HB3      LEU  12  -0.549 -11.101   8.740
  105    HG   LEU  12           HG       LEU  12   0.656 -13.751   7.980
  106   HD11  LEU  12          HD11      LEU  12   1.564 -12.198   6.298
  107   HD12  LEU  12          HD12      LEU  12   2.029 -11.062   7.584
  108   HD13  LEU  12          HD13      LEU  12   2.811 -12.661   7.483
  109   HD21  LEU  12          HD21      LEU  12   0.545 -13.002  10.375
  110   HD22  LEU  12          HD22      LEU  12   2.222 -13.130   9.804
  111   HD23  LEU  12          HD23      LEU  12   1.448 -11.537   9.943
  112    H    GLN  13           H        GLN  13  -3.134 -12.315  10.346
  113    HA   GLN  13           HA       GLN  13  -2.104 -14.751  11.735
  114    HB2  GLN  13           HB2      GLN  13  -1.846 -13.483  13.768
  115    HB3  GLN  13           HB3      GLN  13  -0.895 -12.725  12.478
  116    HG2  GLN  13           HG2      GLN  13  -2.646 -11.019  12.167
  117    HG3  GLN  13           HG3      GLN  13  -3.649 -11.809  13.401
  118   HE21  GLN  13          HE21      GLN  13  -3.492  -9.484  14.254
  119   HE22  GLN  13          HE22      GLN  13  -2.164  -9.152  15.350
  120    H    ASP  14           H        ASP  14  -4.894 -13.299  10.558
  121    HA   ASP  14           HA       ASP  14  -6.620 -13.807  12.783
  122    HB2  ASP  14           HB2      ASP  14  -7.377 -12.242  11.250
  123    HB3  ASP  14           HB3      ASP  14  -7.072 -13.301   9.868
  124    HN1  NH2  15           HN1      NH2  15  -7.226 -15.631  13.668
  125    HN2  NH2  15           HN2      NH2  15  -7.353 -17.174  12.849