*HEADER    ANTIMICROBIAL PROTEIN                   01-JUN-18   6GO0              
*TITLE     PLANTARICIN S-B IN 100 MM DPC MICELLES. THIS IS THE BETA PART OF THE  
*TITLE    2 BACTERIOCIN PLANTARICIN S                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLANTARICIN S BETA PROTEIN;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM;                        
*SOURCE   4 ORGANISM_TAXID: 1590                                                 
*KEYWDS    ANTIMICROBIAL PROTEIN BACTERIOCIN MENBRANE INTERACTING PEPTIDE,       
*KEYWDS   2 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.EKBLAD,P.E.KRISTIANSEN                                              
*REVDAT   1   06-MAR-19 6GO0    0                                                
# Restraints file 1: test.upl
 16 VAL  QG1    20 GLU  H       4.97            #peak     2 #SUP  0.49  #QF  0.49
 15 ILE  QG2    16 VAL  H       3.70            #peak     6 #SUP  0.62  #QF  0.44
 15 ILE  QG2    18 PHE  H       4.54            #peak     7 #SUP  0.50  #QF  0.50
 11 ALA  QB     12 GLY  H       3.43            #peak     8 #SUP  0.70  #QF  0.70
 11 ALA  H      11 ALA  QB      3.10            #peak     9 #SUP  0.73  #QF  0.73
 15 ILE  H      15 ILE  HG13    3.91            #peak    13 #SUP  0.71  #QF  0.71
 16 VAL  QG2    17 SER  H       4.15            #peak    16 #SUP  0.42  #QF  0.42
 10 ALA  QB     11 ALA  H       3.63            #peak    17 #SUP  0.53  #QF  0.22
 10 ALA  QB     12 GLY  H       4.51            #peak    19 #SUP  0.38  #QF  0.38
  6 SER  H       9 ALA  QB      3.81            #peak    20 #SUP  0.71  #QF  0.71
 10 ALA  QB     13 ASP  H       5.50            #peak    21 #SUP  0.76  #QF  0.50
  9 ALA  QB     10 ALA  H       3.24            #peak    24 #SUP  0.74  #QF  0.58
 10 ALA  H      10 ALA  QB      3.39            #peak    24 #SUP  0.74  #QF  0.58
  7 TRP  H       9 ALA  QB      5.11            #peak    25 #SUP  0.78  #QF  0.78
 15 ILE  QG2    19 GLY  H       4.57            #peak    26 #SUP  0.42  #QF  0.42
 12 GLY  H      14 ALA  QB      4.91            #peak    27 #SUP  0.90  #QF  0.77
 11 ALA  H      14 ALA  QB      4.65            #peak    28 #SUP  0.82  #QF  0.82
 14 ALA  QB     16 VAL  H       5.21            #peak    34 #SUP  0.89  #QF  0.80
  5 GLN  HB2     6 SER  H       4.53            #peak    39 #SUP  0.85  #QF  0.85
  5 GLN  HB3     6 SER  H       4.53            #peak    40 #SUP  0.54  #QF  0.54
 15 ILE  H      15 ILE  HG12    3.91            #peak    47 #SUP  0.66  #QF  0.66
 15 ILE  H      15 ILE  HB      3.25            #peak    48 #SUP  0.46  #QF  0.46
 15 ILE  HB     16 VAL  H       3.56            #peak    49 #SUP  0.44  #QF  0.44
 14 ALA  H      14 ALA  QB      3.09            #peak    50 #SUP  0.66  #QF  0.66
 10 ALA  H      14 ALA  QB      5.06            #peak    53 #SUP  0.83  #QF  0.83
 23 LEU  H      23 LEU  HG      2.91            #peak    54 #SUP  0.87  #QF  0.87
 16 VAL  H      16 VAL  HB      3.36            #peak    55 #SUP  0.63  #QF  0.51
 16 VAL  HB     17 SER  H       3.39            #peak    56 #SUP  0.42  #QF  0.42
 20 GLU  HB2    21 GLY  H       3.95            #peak    57 #SUP  0.63  #QF  0.63
  5 GLN  H       5 GLN  HG3     4.45            #peak    58 #SUP  0.93  #QF  0.93
  5 GLN  H       5 GLN  HG2     4.45            #peak    62 #SUP  0.73  #QF  0.73
 20 GLU  H      20 GLU  HB2     3.58            #peak    63 #SUP  0.87  #QF  0.87
 20 GLU  H      20 GLU  HB3     3.58            #peak    64 #SUP  0.80  #QF  0.80
 20 GLU  H      20 GLU  HG3     4.01            #peak    65 #SUP  0.69  #QF  0.69
 13 ASP  H      13 ASP  HB2     3.48            #peak    67 #SUP  0.36  #QF  0.36
 24 ASN  H      24 ASN  QB      3.07            #peak    68 #SUP  0.54  #QF  0.54
 22 PHE  H      22 PHE  HB3     3.13            #peak    69 #SUP  0.67  #QF  0.41
 13 ASP  HB2    14 ALA  H       3.78            #peak    71 #SUP  0.40  #QF  0.40
 22 PHE  H      22 PHE  HB2     3.13            #peak    72 #SUP  0.52  #QF  0.52
 24 ASN  QB     25 ALA  H       3.77            #peak    73 #SUP  0.62  #QF  0.62
  8 TYR  HB2     9 ALA  H       4.33            #peak    76 #SUP  0.57  #QF  0.57
  7 TRP  HB3     7 TRP  HD1     3.83            #peak    77 #SUP  0.59  #QF  0.48
  7 TRP  HB2     7 TRP  HD1     3.83            #peak    82 #SUP  0.50  #QF  0.50
 18 PHE  H      18 PHE  HB2     3.32            #peak    85 #SUP  0.69  #QF  0.69
 18 PHE  H      18 PHE  HB3     3.29            #peak    86 #SUP  0.67  #QF  0.67
 18 PHE  HB3    19 GLY  H       3.84            #peak    89 #SUP  0.74  #QF  0.74
 18 PHE  HB2    19 GLY  H       3.67            #peak    90 #SUP  0.73  #QF  0.73
  7 TRP  H       7 TRP  HB2     3.75            #peak    91 #SUP  0.64  #QF  0.64
  7 TRP  H       7 TRP  HB3     3.53            #peak    92 #SUP  0.63  #QF  0.63
  6 SER  H       6 SER  HB3     3.89            #peak    98 #SUP  0.78  #QF  0.78
  6 SER  H       6 SER  HB2     3.89            #peak    99 #SUP  0.76  #QF  0.76
 10 ALA  HA     11 ALA  H       3.52            #peak   104 #SUP  0.68  #QF  0.68
 15 ILE  HA     18 PHE  H       3.59            #peak   108 #SUP  0.55  #QF  0.55
 12 GLY  HA2    15 ILE  H       4.28            #peak   110 #SUP  0.32  #QF  0.32
 16 VAL  HA     18 PHE  H       4.38            #peak   115 #SUP  0.35  #QF  0.35
 17 SER  HB3    18 PHE  H       4.48            #peak   118 #SUP  0.30  #QF  0.30
  8 TYR  HA     12 GLY  H       5.22            #peak   119 #SUP  0.80  #QF  0.70
 23 LEU  HA     26 TRP  H       4.45            #peak   128 #SUP  0.50  #QF  0.50
 23 LEU  HA     25 ALA  H       4.63            #peak   129 #SUP  0.64  #QF  0.64
  7 TRP  HA      7 TRP  HD1     4.57            #peak   130 #SUP  0.53  #QF  0.53
 26 TRP  HA     26 TRP  HE3     4.78            #peak   135 #SUP  0.33  #QF  0.33
  6 SER  HA      7 TRP  HD1     4.45            #peak   136 #SUP  0.55  #QF  0.55
 24 ASN  HA     26 TRP  H       4.51            #peak   139 #SUP  0.39  #QF  0.39
  4 LYS  HA      5 GLN  H       3.44            #peak   145 #SUP  0.58  #QF  0.44
 13 ASP  H      14 ALA  HA      5.41            #peak   148 #SUP  0.42  #QF  0.42
  2 LYS  HA      3 LYS  H       3.18            #peak   149 #SUP  0.50  #QF  0.50
  7 TRP  HA     11 ALA  H       4.25            #peak   150 #SUP  0.36  #QF  0.36
  5 GLN  H       6 SER  HA      4.64            #peak   153 #SUP  0.64  #QF  0.64
 13 ASP  HA     15 ILE  H       4.46            #peak   155 #SUP  0.49  #QF  0.49
 13 ASP  HA     17 SER  H       4.18            #peak   156 #SUP  0.48  #QF  0.48
 13 ASP  HA     16 VAL  H       4.42            #peak   157 #SUP  0.69  #QF  0.55
  5 GLN  HA      6 SER  H       2.95            #peak   159 #SUP  0.41  #QF  0.41
 17 SER  HA     20 GLU  H       4.87            #peak   162 #SUP  0.94  #QF  0.70
 18 PHE  HA     20 GLU  H       4.63            #peak   163 #SUP  0.56  #QF  0.56
 17 SER  HA     19 GLY  H       4.97            #peak   166 #SUP  0.80  #QF  0.80
  6 SER  HA      7 TRP  H       3.24            #peak   167 #SUP  0.68  #QF  0.68
  7 TRP  HE1     8 TYR  QD      4.98            #peak   168 #SUP  0.80  #QF  0.80
 18 PHE  QD     19 GLY  H       4.42            #peak   171 #SUP  0.84  #QF  0.84
 22 PHE  H      22 PHE  QD      4.61            #peak   174 #SUP  0.91  #QF  0.56
  6 SER  H       9 ALA  H       4.77            #peak   179 #SUP  0.66  #QF  0.66
  7 TRP  HE3     8 TYR  H       4.01            #peak   186 #SUP  0.39  #QF  0.39
  7 TRP  HH2     8 TYR  QD      4.75            #peak   188 #SUP  0.31  #QF  0.31
  7 TRP  HZ3     8 TYR  QD      4.71            #peak   189 #SUP  0.31  #QF  0.31
  8 TYR  H       9 ALA  H       3.27            #peak   207 #SUP  0.39  #QF  0.39
 18 PHE  QE     18 PHE  HZ      2.44            #peak   209 #SUP  0.66  #QF  0.66
 24 ASN  HD21   26 TRP  H       4.40            #peak   210 #SUP  0.67  #QF  0.67
 25 ALA  H      26 TRP  H       3.35            #peak   211 #SUP  0.66  #QF  0.66
 24 ASN  H      25 ALA  H       3.41            #peak   212 #SUP  0.63  #QF  0.63
  9 ALA  H      10 ALA  H       3.47            #peak   216 #SUP  0.51  #QF  0.51
 19 GLY  H      21 GLY  H       4.53            #peak   222 #SUP  0.83  #QF  0.83
 17 SER  H      19 GLY  H       4.56            #peak   228 #SUP  0.71  #QF  0.71
 13 ASP  H      15 ILE  H       4.28            #peak   230 #SUP  0.49  #QF  0.49
 15 ILE  H      16 VAL  H       3.43            #peak   232 #SUP  0.78  #QF  0.78
 17 SER  H      18 PHE  H       3.54            #peak   234 #SUP  0.67  #QF  0.67
 11 ALA  H      12 GLY  H       3.40            #peak   236 #SUP  0.68  #QF  0.68
  5 GLN  H       6 SER  H       4.11            #peak   237 #SUP  0.88  #QF  0.88
 19 GLY  H      20 GLU  H       3.59            #peak   240 #SUP  0.85  #QF  0.85
 18 PHE  H      19 GLY  H       3.55            #peak   241 #SUP  0.81  #QF  0.81
  7 TRP  H       7 TRP  HD1     3.81            #peak   242 #SUP  0.63  #QF  0.63
 13 ASP  H      14 ALA  H       3.40            #peak   243 #SUP  0.41  #QF  0.41
 20 GLU  H      21 GLY  H       3.51            #peak   244 #SUP  0.52  #QF  0.52
 10 ALA  H      11 ALA  H       3.41            #peak   246 #SUP  0.66  #QF  0.66
 14 ALA  H      15 ILE  H       3.49            #peak   247 #SUP  0.64  #QF  0.64
 14 ALA  H      17 SER  H       5.44            #peak   248 #SUP  0.78  #QF  0.64
 14 ALA  H      16 VAL  H       4.60            #peak   249 #SUP  0.59  #QF  0.59
  6 SER  H       7 TRP  H       4.78            #peak   250 #SUP  0.79  #QF  0.79
  7 TRP  HE1     8 TYR  H       5.50            #peak   259 #SUP  0.94  #QF  0.62
  7 TRP  HE1     8 TYR  QE      5.50            #peak   259 #SUP  0.94  #QF  0.62
  7 TRP  H       8 TYR  H       3.76            #peak   262 #SUP  0.58  #QF  0.58
  7 TRP  H       8 TYR  QD      4.37            #peak   264 #SUP  0.56  #QF  0.56
  9 ALA  H      11 ALA  H       4.50            #peak   267 #SUP  0.56  #QF  0.56
 18 PHE  H      18 PHE  QD      4.02            #peak   268 #SUP  0.73  #QF  0.73
 15 ILE  H      18 PHE  QD      5.50            #peak   269 #SUP  0.61  #QF  0.61
  8 TYR  H      10 ALA  H       4.60            #peak   271 #SUP  0.48  #QF  0.48
 22 PHE  QD     23 LEU  H       3.69            #peak   272 #SUP  0.84  #QF  0.84
  7 TRP  HZ2     8 TYR  QD      3.56            #peak   276 #SUP  0.44  #QF  0.44
  8 TYR  QD      9 ALA  H       4.35            #peak   277 #SUP  0.59  #QF  0.59
 22 PHE  QD     24 ASN  HD21    4.93            #peak   279 #SUP  0.65  #QF  0.65
 26 TRP  H      26 TRP  HD1     4.34            #peak   281 #SUP  0.68  #QF  0.68
 18 PHE  QD     21 GLY  H       5.14            #peak   284 #SUP  0.78  #QF  0.78
 18 PHE  QD     22 PHE  H       4.97            #peak   287 #SUP  0.33  #QF  0.33
  7 TRP  HE3     8 TYR  QD      4.57            #peak   293 #SUP  0.32  #QF  0.32
  8 TYR  H       8 TYR  QD      2.98            #peak   297 #SUP  0.83  #QF  0.39
 18 PHE  HA     18 PHE  QD      3.56            #peak   298 #SUP  0.69  #QF  0.69
 26 TRP  HA     26 TRP  HD1     4.45            #peak   300 #SUP  0.33  #QF  0.33
 25 ALA  HA     26 TRP  HD1     5.30            #peak   301 #SUP  0.45  #QF  0.45
 22 PHE  HA     22 PHE  QD      3.63            #peak   302 #SUP  0.51  #QF  0.51
 22 PHE  HA     22 PHE  QE      4.89            #peak   303 #SUP  0.53  #QF  0.53
  6 SER  HA      8 TYR  H       4.54            #peak   304 #SUP  0.50  #QF  0.50
 14 ALA  HA     18 PHE  QD      5.49            #peak   306 #SUP  0.59  #QF  0.59
  7 TRP  HA      9 ALA  H       4.85            #peak   307 #SUP  0.45  #QF  0.45
 23 LEU  HA     26 TRP  HD1     4.95            #peak   312 #SUP  0.70  #QF  0.70
  7 TRP  HE3     8 TYR  HA      3.68            #peak   314 #SUP  0.50  #QF  0.50
  7 TRP  HZ3     8 TYR  HA      4.08            #peak   318 #SUP  0.45  #QF  0.45
  8 TYR  QE      9 ALA  HA      4.56            #peak   319 #SUP  0.57  #QF  0.57
  6 SER  HB2     8 TYR  H       4.47            #peak   321 #SUP  0.83  #QF  0.49
  6 SER  HB2     8 TYR  QE      4.80            #peak   321 #SUP  0.83  #QF  0.49
  8 TYR  QD      9 ALA  HA      3.96            #peak   324 #SUP  0.50  #QF  0.50
  6 SER  HB2     8 TYR  QD      4.73            #peak   327 #SUP  0.66  #QF  0.66
  7 TRP  HB2     7 TRP  HE3     3.60            #peak   342 #SUP  0.36  #QF  0.36
  7 TRP  HB2     8 TYR  H       4.32            #peak   343 #SUP  0.51  #QF  0.51
  7 TRP  HB3     8 TYR  H       4.21            #peak   344 #SUP  0.48  #QF  0.48
  8 TYR  H       8 TYR  HB3     3.69            #peak   348 #SUP  0.45  #QF  0.45
 25 ALA  H      25 ALA  QB      3.26            #peak   353 #SUP  0.67  #QF  0.67
 22 PHE  QD     23 LEU  HG      4.27            #peak   357 #SUP  0.68  #QF  0.68
 22 PHE  QD     25 ALA  QB      4.82            #peak   360 #SUP  0.63  #QF  0.63
  8 TYR  H      11 ALA  QB      5.18            #peak   363 #SUP  0.55  #QF  0.55
  8 TYR  QE      9 ALA  QB      4.30            #peak   364 #SUP  0.85  #QF  0.50
  8 TYR  QD      9 ALA  QB      4.33            #peak   366 #SUP  0.63  #QF  0.63
 22 PHE  QD     23 LEU  QD2     4.42            #peak   369 #SUP  0.62  #QF  0.62
 22 PHE  QD     23 LEU  QD1     4.61            #peak   370 #SUP  0.54  #QF  0.54
 22 PHE  QE     23 LEU  QD2     4.77            #peak   371 #SUP  0.68  #QF  0.68
 22 PHE  QE     23 LEU  QD1     5.50            #peak   372 #SUP  0.56  #QF  0.56
 20 GLU  HA     23 LEU  QD2     4.38            #peak   375 #SUP  0.61  #QF  0.61
 20 GLU  HA     23 LEU  QD1     4.23            #peak   376 #SUP  0.52  #QF  0.52
 23 LEU  HA     23 LEU  QD1     4.01            #peak   377 #SUP  0.69  #QF  0.69
  8 TYR  HA     11 ALA  QB      3.42            #peak   383 #SUP  0.74  #QF  0.74
 15 ILE  HA     15 ILE  QD1     3.83            #peak   385 #SUP  0.50  #QF  0.50
 15 ILE  HA     15 ILE  HG13    3.57            #peak   389 #SUP  0.32  #QF  0.32
  6 SER  HB3     9 ALA  QB      4.32            #peak   393 #SUP  0.58  #QF  0.58
  6 SER  HB2     9 ALA  QB      4.32            #peak   394 #SUP  0.51  #QF  0.51
 11 ALA  HA     14 ALA  QB      3.15            #peak   400 #SUP  0.24  #QF  0.24
 14 ALA  QB     15 ILE  HA      4.28            #peak   402 #SUP  0.61  #QF  0.61
 20 GLU  HA     23 LEU  HG      3.61            #peak   407 #SUP  0.71  #QF  0.71
 15 ILE  HA     15 ILE  HG12    3.57            #peak   408 #SUP  0.52  #QF  0.52
 15 ILE  HB     16 VAL  HA      4.48            #peak   415 #SUP  0.35  #QF  0.35
 20 GLU  HA     20 GLU  HG2     3.87            #peak   417 #SUP  0.63  #QF  0.63
 20 GLU  HA     20 GLU  HG3     3.87            #peak   418 #SUP  0.56  #QF  0.56
 10 ALA  HA     13 ASP  HB3     4.23            #peak   420 #SUP  0.37  #QF  0.37
 10 ALA  HA     13 ASP  HB2     4.23            #peak   421 #SUP  0.29  #QF  0.29
 15 ILE  HA     18 PHE  HB2     3.62            #peak   422 #SUP  0.42  #QF  0.42
 15 ILE  HA     18 PHE  HB3     4.26            #peak   423 #SUP  0.69  #QF  0.48
 18 PHE  HB3    19 GLY  QA      4.48            #peak   423 #SUP  0.69  #QF  0.48
  8 TYR  HA      8 TYR  QD      3.84            #peak   458 #SUP  0.72  #QF  0.72
  6 SER  HB3     8 TYR  QD      4.73            #peak   460 #SUP  0.65  #QF  0.65
  6 SER  HB3     8 TYR  H       4.47            #peak   466 #SUP  0.79  #QF  0.40
  6 SER  HB3     8 TYR  QE      4.80            #peak   466 #SUP  0.79  #QF  0.40
 15 ILE  HA     18 PHE  QD      4.11            #peak   468 #SUP  0.49  #QF  0.49
 22 PHE  QD     23 LEU  HA      4.25            #peak   473 #SUP  0.82  #QF  0.82
  6 SER  HB3     9 ALA  H       4.83            #peak   476 #SUP  0.49  #QF  0.49
  6 SER  HB2     9 ALA  H       4.83            #peak   477 #SUP  0.56  #QF  0.56
  8 TYR  H       8 TYR  HB2     3.69            #peak   497 #SUP  0.49  #QF  0.49
 10 ALA  H      10 ALA  HA      2.88            #peak   501 #SUP  0.51  #QF  0.51
 17 SER  H      17 SER  HB2     3.54            #peak   504 #SUP  0.52  #QF  0.52
 17 SER  H      17 SER  HB3     3.54            #peak   505 #SUP  0.61  #QF  0.61
 15 ILE  HA     17 SER  H       4.25            #peak   507 #SUP  0.32  #QF  0.32
 17 SER  HB2    18 PHE  H       4.48            #peak   512 #SUP  0.75  #QF  0.31
  8 TYR  HA     11 ALA  H       3.87            #peak   513 #SUP  0.65  #QF  0.65
 11 ALA  HA     12 GLY  H       3.48            #peak   524 #SUP  0.44  #QF  0.44
 18 PHE  H      20 GLU  H       5.01            #peak   536 #SUP  0.75  #QF  0.75
  6 SER  HB3     7 TRP  H       4.14            #peak   540 #SUP  0.72  #QF  0.72
  6 SER  HB2     7 TRP  H       4.14            #peak   541 #SUP  0.76  #QF  0.76
 13 ASP  H      13 ASP  HB3     3.48            #peak   550 #SUP  0.39  #QF  0.39
 20 GLU  H      20 GLU  HG2     4.01            #peak   552 #SUP  0.61  #QF  0.61
 15 ILE  H      16 VAL  HB      4.88            #peak   565 #SUP  0.59  #QF  0.59
 13 ASP  H      14 ALA  QB      4.20            #peak   579 #SUP  0.52  #QF  0.52
 14 ALA  QB     15 ILE  H       3.56            #peak   580 #SUP  0.76  #QF  0.76
 14 ALA  QB     17 SER  H       4.89            #peak   581 #SUP  0.37  #QF  0.37
  2 LYS  QG      3 LYS  H       3.86            #peak   587 #SUP  0.51  #QF  0.51
 20 GLU  HB3    21 GLY  H       3.95            #peak   596 #SUP  0.44  #QF  0.44
  8 TYR  HB3     9 ALA  H       4.33            #peak   601 #SUP  0.41  #QF  0.41
 24 ASN  H      25 ALA  QB      4.61            #peak   602 #SUP  0.49  #QF  0.49
 10 ALA  H      11 ALA  QB      4.30            #peak   603 #SUP  0.49  #QF  0.49
 25 ALA  QB     26 TRP  H       3.85            #peak   604 #SUP  0.61  #QF  0.61
  9 ALA  H       9 ALA  QB      3.02            #peak   606 #SUP  0.48  #QF  0.48
 14 ALA  QB     18 PHE  QD      4.92            #peak   608 #SUP  0.72  #QF  0.72
  7 TRP  HE3    11 ALA  QB      3.98            #peak   609 #SUP  0.42  #QF  0.42
 15 ILE  QG2    18 PHE  QD      4.73            #peak   612 #SUP  0.57  #QF  0.57
 23 LEU  H      23 LEU  QD1     4.12            #peak   614 #SUP  0.73  #QF  0.73
 23 LEU  H      23 LEU  QD2     4.01            #peak   615 #SUP  0.73  #QF  0.73
  7 TRP  HZ3    11 ALA  QB      4.47            #peak   617 #SUP  0.48  #QF  0.48
 13 ASP  HA     16 VAL  QG1     4.41            #peak   630 #SUP  0.39  #QF  0.39
 13 ASP  HA     16 VAL  QG2     3.96            #peak   631 #SUP  0.35  #QF  0.35
 16 VAL  QG1    17 SER  HA      4.15            #peak   632 #SUP  0.56  #QF  0.56
 23 LEU  HA     23 LEU  QD2     3.28            #peak   635 #SUP  0.64  #QF  0.64
  2 LYS  HA      2 LYS  QG      3.44            #peak   640 #SUP  0.76  #QF  0.76
  5 GLN  HA      9 ALA  QB      4.06            #peak   641 #SUP  0.34  #QF  0.34
  6 SER  HA      9 ALA  QB      4.42            #peak   642 #SUP  0.68  #QF  0.68
 10 ALA  HA     14 ALA  QB      3.50            #peak   649 #SUP  0.64  #QF  0.64
 13 ASP  HA     16 VAL  HB      3.73            #peak   659 #SUP  0.38  #QF  0.38
 17 SER  HA     20 GLU  HB3     4.08            #peak   663 #SUP  0.73  #QF  0.73
 17 SER  HA     20 GLU  HB2     4.08            #peak   664 #SUP  0.88  #QF  0.88
 12 GLY  HA2    15 ILE  QD1     4.00            #peak   681 #SUP  0.35  #QF  0.35
 16 VAL  HA     16 VAL  QG1     3.06            #peak   682 #SUP  0.39  #QF  0.39
 15 ILE  HA     15 ILE  QG2     3.15            #peak   683 #SUP  0.37  #QF  0.37
 12 GLY  HA3    16 VAL  QG2     4.42            #peak   685 #SUP  0.26  #QF  0.26
 16 VAL  HA     16 VAL  QG2     3.05            #peak   686 #SUP  0.34  #QF  0.34
 11 ALA  HA     15 ILE  QG2     5.50            #peak   689 #SUP  0.79  #QF  0.40
 16 VAL  QG1    20 GLU  HG3     4.26            #peak   691 #SUP  0.47  #QF  0.47
  5 GLN  HB2     9 ALA  QB      3.65            #peak   737 #SUP  0.39  #QF  0.39
  1 LYS  QG      1 LYS  QD      2.64            #peak   744 #SUP  0.99  #QF  0.83
  2 LYS  QG      2 LYS  QD      2.90            #peak   744 #SUP  0.99  #QF  0.83
 23 LEU  HB2    23 LEU  QD1     3.66            #peak   752 #SUP  0.91  #QF  0.70
 23 LEU  HB2    23 LEU  QD2     3.90            #peak   753 #SUP  0.89  #QF  0.62
 15 ILE  HB     16 VAL  QG2     3.73            #peak   762 #SUP  0.30  #QF  0.30
 15 ILE  HB     15 ILE  QD1     3.25            #peak   766 #SUP  0.35  #QF  0.35
 23 LEU  HB3    23 LEU  QD1     3.66            #peak   773 #SUP  0.68  #QF  0.68
 23 LEU  HB3    23 LEU  QD2     3.90            #peak   774 #SUP  0.65  #QF  0.65
 14 ALA  QB     15 ILE  QD1     4.42            #peak   776 #SUP  0.48  #QF  0.48
  5 GLN  HB3     9 ALA  QB      3.65            #peak   777 #SUP  0.56  #QF  0.56
 16 VAL  QG1    20 GLU  HG2     4.26            #peak   779 #SUP  0.44  #QF  0.44
 11 ALA  QB     15 ILE  QD1     3.48            #peak   782 #SUP  0.41  #QF  0.41
 15 ILE  QG2    15 ILE  QD1     2.60            #peak   787 #SUP  0.43  #QF  0.43
 11 ALA  QB     15 ILE  QG2     5.05            #peak   792 #SUP  0.32  #QF  0.32
 11 ALA  QB     14 ALA  QB      4.20            #peak   798 #SUP  0.73  #QF  0.73
 13 ASP  HB3    14 ALA  H       3.78            #peak   803 #SUP  0.54  #QF  0.54
  7 TRP  H       7 TRP  HE3     5.18            #peak   819 #SUP  0.39  #QF  0.39
 10 ALA  HA     14 ALA  H       4.03            #peak   826 #SUP  0.45  #QF  0.45
 16 VAL  H      16 VAL  QG2     3.10            #peak   830 #SUP  0.46  #QF  0.46
 15 ILE  H      16 VAL  QG2     4.42            #peak   831 #SUP  0.52  #QF  0.52
 16 VAL  QG1    17 SER  H       3.66            #peak   834 #SUP  0.45  #QF  0.45
 15 ILE  H      15 ILE  QG2     3.83            #peak   835 #SUP  0.53  #QF  0.53
 15 ILE  H      15 ILE  QD1     3.99            #peak   836 #SUP  0.53  #QF  0.53
 24 ASN  QB     25 ALA  QB      4.67            #peak   839 #SUP  0.59  #QF  0.59
  7 TRP  HD1     8 TYR  H       4.25            #peak   849 #SUP  0.56  #QF  0.56
 18 PHE  HA     21 GLY  H       4.56            #peak   853 #SUP  0.73  #QF  0.60
  7 TRP  HA     10 ALA  H       4.13            #peak   858 #SUP  0.35  #QF  0.35
  1 LYS  QG      1 LYS  QZ      4.38            #peak   864 #SUP  0.98  #QF  0.98
 15 ILE  QD1    18 PHE  QD      5.50            #peak   865 #SUP  0.57  #QF  0.57
 23 LEU  QD2    24 ASN  HD21    5.50            #peak   867 #SUP  0.60  #QF  0.60
 15 ILE  QD1    16 VAL  H       4.43            #peak   868 #SUP  0.57  #QF  0.57
 12 GLY  H      16 VAL  QG2     5.50            #peak   869 #SUP  0.52  #QF  0.52
 13 ASP  H      16 VAL  QG2     5.17            #peak   870 #SUP  0.31  #QF  0.31
 12 GLY  H      15 ILE  QD1     5.14            #peak   874 #SUP  0.46  #QF  0.46
 14 ALA  H      16 VAL  QG2     5.50            #peak   878 #SUP  0.42  #QF  0.42
 11 ALA  QB     14 ALA  H       5.47            #peak   880 #SUP  0.52  #QF  0.52
 16 VAL  HA     20 GLU  H       4.53            #peak   884 #SUP  0.44  #QF  0.44
 23 LEU  HA     24 ASN  HD21    5.50            #peak   887 #SUP  0.74  #QF  0.74
  9 ALA  H      10 ALA  HA      5.50            #peak   888 #SUP  0.35  #QF  0.35
  5 GLN  HE21   10 ALA  HA      4.87            #peak   889 #SUP  0.93  #QF  0.93
  6 SER  HB2     7 TRP  HD1     5.50            #peak   891 #SUP  0.41  #QF  0.26
  6 SER  HB3     7 TRP  HD1     5.50            #peak   891 #SUP  0.41  #QF  0.26
 14 ALA  H      16 VAL  HB      5.50            #peak   892 #SUP  0.31  #QF  0.31
 14 ALA  H      15 ILE  HB      5.16            #peak   896 #SUP  0.52  #QF  0.52
 20 GLU  H      21 GLY  HA3     5.06            #peak   902 #SUP  0.68  #QF  0.68
 17 SER  H      18 PHE  HB3     5.50            #peak   903 #SUP  0.27  #QF  0.27
 17 SER  H      18 PHE  HB2     4.38            #peak   904 #SUP  0.26  #QF  0.26
  5 GLN  HE22   10 ALA  HA      4.87            #peak   907 #SUP  0.48  #QF  0.48
 25 ALA  QB     26 TRP  HD1     5.02            #peak   908 #SUP  0.64  #QF  0.64
 14 ALA  QB     15 ILE  QG2     5.06            #peak   922 #SUP  0.51  #QF  0.51
 16 VAL  QG1    20 GLU  HA      5.50            #peak   926 #SUP  0.56  #QF  0.56
 18 PHE  QD     21 GLY  HA3     5.09            #peak   928 #SUP  0.66  #QF  0.66
  1 LYS  QB      2 LYS  H       4.46            #peak    36
  2 LYS  QB      3 LYS  H       4.03            #peak   576
  3 LYS  H       3 LYS  QB      3.69            #peak    43
  4 LYS  H       4 LYS  QB      3.31            #peak    42
  4 LYS  H       4 LYS  QG      3.43            #peak    17
  4 LYS  QB      4 LYS  QE      2.81            #peak   690
  4 LYS  QG      5 GLN  QB      3.89            #peak   738
  4 LYS  QG      5 GLN  QG      3.25            #peak   916
  5 GLN  H       5 GLN  QB      3.30            #peak    45
  5 GLN  HA      5 GLN  QG      3.74            #peak   660
  5 GLN  QB      6 SER  H       3.82            #peak    40
  5 GLN  QB      9 ALA  QB      3.20            #peak   777
  5 GLN  QG      6 SER  H       4.35            #peak   564
  5 GLN  QG      9 ALA  QB      2.84            #peak   914
  5 GLN  QE2     9 ALA  QB      3.96            #peak   354
  5 GLN  QE2    10 ALA  HA      4.10            #peak   889
  5 GLN  QE2    10 ALA  QB      4.81            #peak   626
  6 SER  H       6 SER  QB      3.35            #peak    98
  6 SER  QB      7 TRP  H       3.52            #peak   541
  6 SER  QB      8 TYR  H       3.88            #peak   321
  6 SER  QB      8 TYR  QD      3.85            #peak   327
  6 SER  QB      8 TYR  QE      4.13            #peak   321
  6 SER  QB      9 ALA  H       4.18            #peak   477
  8 TYR  QB      9 ALA  H       3.74            #peak    76
 10 ALA  HA     13 ASP  QB      3.60            #peak   421
 10 ALA  QB     13 ASP  QB      5.21            #peak   910
 13 ASP  H      13 ASP  QB      3.02            #peak    67
 13 ASP  QB     14 ALA  H       3.27            #peak   803
 13 ASP  QB     14 ALA  QB      5.13            #peak   920
 14 ALA  HA     17 SER  QB      3.33            #peak   441
 14 ALA  QB     17 SER  QB      4.42            #peak   401
 15 ILE  H      15 ILE  QG1     3.26            #peak    47
 15 ILE  HA     15 ILE  QG1     3.09            #peak   389
 15 ILE  QG2    15 ILE  QG1     3.32            #peak   768
 16 VAL  QG1    17 SER  QB      4.51            #peak   688
 16 VAL  QG1    20 GLU  QG      3.63            #peak   691
 17 SER  HA     17 SER  QB      2.64            #peak   440
 17 SER  HA     20 GLU  QB      3.51            #peak   664
 18 PHE  QD     22 PHE  QB      5.32            #peak   332
 20 GLU  H      20 GLU  QB      3.08            #peak    63
 20 GLU  H      20 GLU  QG      3.37            #peak    65
 20 GLU  HA     20 GLU  QG      3.27            #peak   417
 23 LEU  H      23 LEU  QB      3.22            #peak    52
 23 LEU  QB     23 LEU  QD1     3.15            #peak   773
 23 LEU  QB     23 LEU  QD2     3.27            #peak   774
 26 TRP  H      26 TRP  QB      3.22            #peak   800
 14 ALA  HA     18 PHE  H       5.29            #peak   516 #SUP  0.94  #QF  0.60
 18 PHE  HA     22 PHE  H       5.50            #peak   141 #SUP  0.76  #QF  0.62
  1 LYS  HA      3 LYS  H       5.22            #peak   519 #SUP  0.34  #QF  0.34
  9 ALA  HA     12 GLY  H       4.44            #peak   530 #SUP  0.20  #QF  0.20
  2 LYS  H       3 LYS  H       4.50            #peak   519 #SUP  0.34  #QF  0.34
 21 GLY  HA2    22 PHE  H       3.42            #peak   129 #SUP  0.66  #QF  0.66
 21 GLY  HA3    22 PHE  H       3.45 
 12 GLY  HA2    13 ASP  H       3.51            #peak   129 #SUP  0.66  #QF  0.66
 12 GLY  HA3    13 ASP  H       3.33 
 15 ILE  HA     16 VAL  H       3.40 
 16 VAL  HA     17 SER  H       3.37 
  7 TRP  HA      8 TYR  H       3.46 
  8 TYR  HA      9 ALA  H       3.29 
 13 ASP  HA     14 ALA  H       3.33 
 17 SER  HA     18 PHE  H       3.44 
 19 GLY  QA     20 GLU  H       3.51 
 20 GLU  HA     21 GLY  H       3.32 
 24 ASN  HA     25 ALA  H       3.52 
 25 ALA  HA     26 TRP  H       3.50 
# Restraints file 2: D_1200010162_mr_P1.cyana.V1
 16 VAL  QG1    20 GLU  H       4.97            #peak     2 #SUP  0.49  #QF  0.49
 15 ILE  QG2    16 VAL  H       3.70            #peak     6 #SUP  0.62  #QF  0.44
 15 ILE  QG2    18 PHE  H       4.54            #peak     7 #SUP  0.50  #QF  0.50
 11 ALA  QB     12 GLY  H       3.43            #peak     8 #SUP  0.70  #QF  0.70
 11 ALA  H      11 ALA  QB      3.10            #peak     9 #SUP  0.73  #QF  0.73
 15 ILE  H      15 ILE  HG13    3.91            #peak    13 #SUP  0.71  #QF  0.71
 16 VAL  QG2    17 SER  H       4.15            #peak    16 #SUP  0.42  #QF  0.42
 10 ALA  QB     11 ALA  H       3.63            #peak    17 #SUP  0.53  #QF  0.22
 10 ALA  QB     12 GLY  H       4.51            #peak    19 #SUP  0.38  #QF  0.38
  6 SER  H       9 ALA  QB      3.81            #peak    20 #SUP  0.71  #QF  0.71
 10 ALA  QB     13 ASP  H       5.50            #peak    21 #SUP  0.76  #QF  0.50
  9 ALA  QB     10 ALA  H       3.24            #peak    24 #SUP  0.74  #QF  0.58
 10 ALA  H      10 ALA  QB      3.39            #peak    24 #SUP  0.74  #QF  0.58
  7 TRP  H       9 ALA  QB      5.11            #peak    25 #SUP  0.78  #QF  0.78
 15 ILE  QG2    19 GLY  H       4.57            #peak    26 #SUP  0.42  #QF  0.42
 12 GLY  H      14 ALA  QB      4.91            #peak    27 #SUP  0.90  #QF  0.77
 11 ALA  H      14 ALA  QB      4.65            #peak    28 #SUP  0.82  #QF  0.82
 14 ALA  QB     16 VAL  H       5.21            #peak    34 #SUP  0.89  #QF  0.80
  5 GLN  HB2     6 SER  H       4.53            #peak    39 #SUP  0.85  #QF  0.85
  5 GLN  HB3     6 SER  H       4.53            #peak    40 #SUP  0.54  #QF  0.54
 15 ILE  H      15 ILE  HG12    3.91            #peak    47 #SUP  0.66  #QF  0.66
 15 ILE  H      15 ILE  HB      3.25            #peak    48 #SUP  0.46  #QF  0.46
 15 ILE  HB     16 VAL  H       3.56            #peak    49 #SUP  0.44  #QF  0.44
 14 ALA  H      14 ALA  QB      3.09            #peak    50 #SUP  0.66  #QF  0.66
 10 ALA  H      14 ALA  QB      5.06            #peak    53 #SUP  0.83  #QF  0.83
 23 LEU  H      23 LEU  HG      2.91            #peak    54 #SUP  0.87  #QF  0.87
 16 VAL  H      16 VAL  HB      3.36            #peak    55 #SUP  0.63  #QF  0.51
 16 VAL  HB     17 SER  H       3.39            #peak    56 #SUP  0.42  #QF  0.42
 20 GLU  HB2    21 GLY  H       3.95            #peak    57 #SUP  0.63  #QF  0.63
  5 GLN  H       5 GLN  HG3     4.45            #peak    58 #SUP  0.93  #QF  0.93
  5 GLN  H       5 GLN  HG2     4.45            #peak    62 #SUP  0.73  #QF  0.73
 20 GLU  H      20 GLU  HB2     3.58            #peak    63 #SUP  0.87  #QF  0.87
 20 GLU  H      20 GLU  HB3     3.58            #peak    64 #SUP  0.80  #QF  0.80
 20 GLU  H      20 GLU  HG3     4.01            #peak    65 #SUP  0.69  #QF  0.69
 13 ASP  H      13 ASP  HB2     3.48            #peak    67 #SUP  0.36  #QF  0.36
 24 ASN  H      24 ASN  QB      3.07            #peak    68 #SUP  0.54  #QF  0.54
 22 PHE  H      22 PHE  HB3     3.13            #peak    69 #SUP  0.67  #QF  0.41
 13 ASP  HB2    14 ALA  H       3.78            #peak    71 #SUP  0.40  #QF  0.40
 22 PHE  H      22 PHE  HB2     3.13            #peak    72 #SUP  0.52  #QF  0.52
 24 ASN  QB     25 ALA  H       3.77            #peak    73 #SUP  0.62  #QF  0.62
  8 TYR  HB2     9 ALA  H       4.33            #peak    76 #SUP  0.57  #QF  0.57
  7 TRP  HB3     7 TRP  HD1     3.83            #peak    77 #SUP  0.59  #QF  0.48
  7 TRP  HB2     7 TRP  HD1     3.83            #peak    82 #SUP  0.50  #QF  0.50
 18 PHE  H      18 PHE  HB2     3.32            #peak    85 #SUP  0.69  #QF  0.69
 18 PHE  H      18 PHE  HB3     3.29            #peak    86 #SUP  0.67  #QF  0.67
 18 PHE  HB3    19 GLY  H       3.84            #peak    89 #SUP  0.74  #QF  0.74
 18 PHE  HB2    19 GLY  H       3.67            #peak    90 #SUP  0.73  #QF  0.73
  7 TRP  H       7 TRP  HB2     3.75            #peak    91 #SUP  0.64  #QF  0.64
  7 TRP  H       7 TRP  HB3     3.53            #peak    92 #SUP  0.63  #QF  0.63
  6 SER  H       6 SER  HB3     3.89            #peak    98 #SUP  0.78  #QF  0.78
  6 SER  H       6 SER  HB2     3.89            #peak    99 #SUP  0.76  #QF  0.76
 10 ALA  HA     11 ALA  H       3.52            #peak   104 #SUP  0.68  #QF  0.68
 15 ILE  HA     18 PHE  H       3.59            #peak   108 #SUP  0.55  #QF  0.55
 12 GLY  HA2    15 ILE  H       4.28            #peak   110 #SUP  0.32  #QF  0.32
 16 VAL  HA     18 PHE  H       4.38            #peak   115 #SUP  0.35  #QF  0.35
 17 SER  HB3    18 PHE  H       4.48            #peak   118 #SUP  0.30  #QF  0.30
  8 TYR  HA     12 GLY  H       5.22            #peak   119 #SUP  0.80  #QF  0.70
  9 ALA  HA     12 GLY  H       5.43            #peak   119 #SUP  0.80  #QF  0.70
 23 LEU  HA     26 TRP  H       4.45            #peak   128 #SUP  0.50  #QF  0.50
 23 LEU  HA     25 ALA  H       4.63            #peak   129 #SUP  0.64  #QF  0.64
  7 TRP  HA      7 TRP  HD1     4.57            #peak   130 #SUP  0.53  #QF  0.53
 26 TRP  HA     26 TRP  HE3     4.78            #peak   135 #SUP  0.33  #QF  0.33
  6 SER  HA      7 TRP  HD1     4.45            #peak   136 #SUP  0.55  #QF  0.55
 24 ASN  HA     26 TRP  H       4.51            #peak   139 #SUP  0.39  #QF  0.39
  4 LYS  HA      5 GLN  H       3.44            #peak   145 #SUP  0.58  #QF  0.44
 13 ASP  H      14 ALA  HA      5.41            #peak   148 #SUP  0.42  #QF  0.42
  2 LYS  HA      3 LYS  H       3.18            #peak   149 #SUP  0.50  #QF  0.50
  7 TRP  HA     11 ALA  H       4.25            #peak   150 #SUP  0.36  #QF  0.36
  5 GLN  H       6 SER  HA      4.64            #peak   153 #SUP  0.64  #QF  0.64
 13 ASP  HA     15 ILE  H       4.46            #peak   155 #SUP  0.49  #QF  0.49
 13 ASP  HA     17 SER  H       4.18            #peak   156 #SUP  0.48  #QF  0.48
 13 ASP  HA     16 VAL  H       4.42            #peak   157 #SUP  0.69  #QF  0.55
  5 GLN  HA      6 SER  H       2.95            #peak   159 #SUP  0.41  #QF  0.41
 17 SER  HA     20 GLU  H       4.87            #peak   162 #SUP  0.94  #QF  0.70
 18 PHE  HA     20 GLU  H       4.63            #peak   163 #SUP  0.56  #QF  0.56
 17 SER  HA     19 GLY  H       4.97            #peak   166 #SUP  0.80  #QF  0.80
  6 SER  HA      7 TRP  H       3.24            #peak   167 #SUP  0.68  #QF  0.68
  7 TRP  HE1     8 TYR  QD      4.98            #peak   168 #SUP  0.80  #QF  0.80
 18 PHE  QD     19 GLY  H       4.42            #peak   171 #SUP  0.84  #QF  0.84
 22 PHE  H      22 PHE  QD      4.61            #peak   174 #SUP  0.91  #QF  0.56
  6 SER  H       9 ALA  H       4.77            #peak   179 #SUP  0.66  #QF  0.66
  7 TRP  HE3     8 TYR  H       4.01            #peak   186 #SUP  0.39  #QF  0.39
  7 TRP  HH2     8 TYR  QD      4.75            #peak   188 #SUP  0.31  #QF  0.31
  7 TRP  HZ3     8 TYR  QD      4.71            #peak   189 #SUP  0.31  #QF  0.31
  8 TYR  H       9 ALA  H       3.27            #peak   207 #SUP  0.39  #QF  0.39
 18 PHE  QE     18 PHE  HZ      2.44            #peak   209 #SUP  0.66  #QF  0.66
 24 ASN  HD21   26 TRP  H       4.40            #peak   210 #SUP  0.67  #QF  0.67
 25 ALA  H      26 TRP  H       3.35            #peak   211 #SUP  0.66  #QF  0.66
 24 ASN  H      25 ALA  H       3.41            #peak   212 #SUP  0.63  #QF  0.63
  9 ALA  H      10 ALA  H       3.47            #peak   216 #SUP  0.51  #QF  0.51
 19 GLY  H      21 GLY  H       4.53            #peak   222 #SUP  0.83  #QF  0.83
 17 SER  H      19 GLY  H       4.56            #peak   228 #SUP  0.71  #QF  0.71
 13 ASP  H      15 ILE  H       4.28            #peak   230 #SUP  0.49  #QF  0.49
 15 ILE  H      16 VAL  H       3.43            #peak   232 #SUP  0.78  #QF  0.78
 17 SER  H      18 PHE  H       3.54            #peak   234 #SUP  0.67  #QF  0.67
 11 ALA  H      12 GLY  H       3.40            #peak   236 #SUP  0.68  #QF  0.68
  5 GLN  H       6 SER  H       4.11            #peak   237 #SUP  0.88  #QF  0.88
 19 GLY  H      20 GLU  H       3.59            #peak   240 #SUP  0.85  #QF  0.85
 18 PHE  H      19 GLY  H       3.55            #peak   241 #SUP  0.81  #QF  0.81
  7 TRP  H       7 TRP  HD1     3.81            #peak   242 #SUP  0.63  #QF  0.63
 13 ASP  H      14 ALA  H       3.40            #peak   243 #SUP  0.41  #QF  0.41
 20 GLU  H      21 GLY  H       3.51            #peak   244 #SUP  0.52  #QF  0.52
 10 ALA  H      11 ALA  H       3.41            #peak   246 #SUP  0.66  #QF  0.66
 14 ALA  H      15 ILE  H       3.49            #peak   247 #SUP  0.64  #QF  0.64
 14 ALA  H      17 SER  H       5.44            #peak   248 #SUP  0.78  #QF  0.64
 14 ALA  H      16 VAL  H       4.60            #peak   249 #SUP  0.59  #QF  0.59
  6 SER  H       7 TRP  H       4.78            #peak   250 #SUP  0.79  #QF  0.79
  7 TRP  HE1     8 TYR  H       5.50            #peak   259 #SUP  0.94  #QF  0.62
  7 TRP  HE1     8 TYR  QE      5.50            #peak   259 #SUP  0.94  #QF  0.62
  7 TRP  H       8 TYR  H       3.76            #peak   262 #SUP  0.58  #QF  0.58
  7 TRP  H       8 TYR  QD      4.37            #peak   264 #SUP  0.56  #QF  0.56
  9 ALA  H      11 ALA  H       4.50            #peak   267 #SUP  0.56  #QF  0.56
 18 PHE  H      18 PHE  QD      4.02            #peak   268 #SUP  0.73  #QF  0.73
 15 ILE  H      18 PHE  QD      5.50            #peak   269 #SUP  0.61  #QF  0.61
  8 TYR  H      10 ALA  H       4.60            #peak   271 #SUP  0.48  #QF  0.48
 22 PHE  QD     23 LEU  H       3.69            #peak   272 #SUP  0.84  #QF  0.84
  7 TRP  HZ2     8 TYR  QD      3.56            #peak   276 #SUP  0.44  #QF  0.44
  8 TYR  QD      9 ALA  H       4.35            #peak   277 #SUP  0.59  #QF  0.59
 22 PHE  QD     24 ASN  HD21    4.93            #peak   279 #SUP  0.65  #QF  0.65
 26 TRP  H      26 TRP  HD1     4.34            #peak   281 #SUP  0.68  #QF  0.68
 18 PHE  QD     21 GLY  H       5.14            #peak   284 #SUP  0.78  #QF  0.78
 18 PHE  QD     22 PHE  H       4.97            #peak   287 #SUP  0.33  #QF  0.33
  7 TRP  HE3     8 TYR  QD      4.57            #peak   293 #SUP  0.32  #QF  0.32
  8 TYR  H       8 TYR  QD      2.98            #peak   297 #SUP  0.83  #QF  0.39
 18 PHE  HA     18 PHE  QD      3.56            #peak   298 #SUP  0.69  #QF  0.69
 26 TRP  HA     26 TRP  HD1     4.45            #peak   300 #SUP  0.33  #QF  0.33
 25 ALA  HA     26 TRP  HD1     5.30            #peak   301 #SUP  0.45  #QF  0.45
 22 PHE  HA     22 PHE  QD      3.63            #peak   302 #SUP  0.51  #QF  0.51
 22 PHE  HA     22 PHE  QE      4.89            #peak   303 #SUP  0.53  #QF  0.53
  6 SER  HA      8 TYR  H       4.54            #peak   304 #SUP  0.50  #QF  0.50
 14 ALA  HA     18 PHE  QD      5.49            #peak   306 #SUP  0.59  #QF  0.59
  7 TRP  HA      9 ALA  H       4.85            #peak   307 #SUP  0.45  #QF  0.45
 23 LEU  HA     26 TRP  HD1     4.95            #peak   312 #SUP  0.70  #QF  0.70
  7 TRP  HE3     8 TYR  HA      3.68            #peak   314 #SUP  0.50  #QF  0.50
  7 TRP  HZ3     8 TYR  HA      4.08            #peak   318 #SUP  0.45  #QF  0.45
  8 TYR  QE      9 ALA  HA      4.56            #peak   319 #SUP  0.57  #QF  0.57
  6 SER  HB2     8 TYR  H       4.47            #peak   321 #SUP  0.83  #QF  0.49
  6 SER  HB2     8 TYR  QE      4.80            #peak   321 #SUP  0.83  #QF  0.49
  8 TYR  QD      9 ALA  HA      3.96            #peak   324 #SUP  0.50  #QF  0.50
  6 SER  HB2     8 TYR  QD      4.73            #peak   327 #SUP  0.66  #QF  0.66
  7 TRP  HB2     7 TRP  HE3     3.60            #peak   342 #SUP  0.36  #QF  0.36
  7 TRP  HB2     8 TYR  H       4.32            #peak   343 #SUP  0.51  #QF  0.51
  7 TRP  HB3     8 TYR  H       4.21            #peak   344 #SUP  0.48  #QF  0.48
  8 TYR  H       8 TYR  HB3     3.69            #peak   348 #SUP  0.45  #QF  0.45
 25 ALA  H      25 ALA  QB      3.26            #peak   353 #SUP  0.67  #QF  0.67
 22 PHE  QD     23 LEU  HG      4.27            #peak   357 #SUP  0.68  #QF  0.68
 22 PHE  QD     25 ALA  QB      4.82            #peak   360 #SUP  0.63  #QF  0.63
  8 TYR  H      11 ALA  QB      5.18            #peak   363 #SUP  0.55  #QF  0.55
  8 TYR  QE      9 ALA  QB      4.30            #peak   364 #SUP  0.85  #QF  0.50
  8 TYR  QD      9 ALA  QB      4.33            #peak   366 #SUP  0.63  #QF  0.63
 22 PHE  QD     23 LEU  QD2     4.42            #peak   369 #SUP  0.62  #QF  0.62
 22 PHE  QD     23 LEU  QD1     4.61            #peak   370 #SUP  0.54  #QF  0.54
 22 PHE  QE     23 LEU  QD2     4.77            #peak   371 #SUP  0.68  #QF  0.68
 22 PHE  QE     23 LEU  QD1     5.50            #peak   372 #SUP  0.56  #QF  0.56
 20 GLU  HA     23 LEU  QD2     4.38            #peak   375 #SUP  0.61  #QF  0.61
 20 GLU  HA     23 LEU  QD1     4.23            #peak   376 #SUP  0.52  #QF  0.52
 23 LEU  HA     23 LEU  QD1     4.01            #peak   377 #SUP  0.69  #QF  0.69
  8 TYR  HA     11 ALA  QB      3.42            #peak   383 #SUP  0.74  #QF  0.74
 15 ILE  HA     15 ILE  QD1     3.83            #peak   385 #SUP  0.50  #QF  0.50
 15 ILE  HA     15 ILE  HG13    3.57            #peak   389 #SUP  0.32  #QF  0.32
  6 SER  HB3     9 ALA  QB      4.32            #peak   393 #SUP  0.58  #QF  0.58
  6 SER  HB2     9 ALA  QB      4.32            #peak   394 #SUP  0.51  #QF  0.51
 11 ALA  HA     14 ALA  QB      3.15            #peak   400 #SUP  0.24  #QF  0.24
 14 ALA  QB     15 ILE  HA      4.28            #peak   402 #SUP  0.61  #QF  0.61
 20 GLU  HA     23 LEU  HG      3.61            #peak   407 #SUP  0.71  #QF  0.71
 15 ILE  HA     15 ILE  HG12    3.57            #peak   408 #SUP  0.52  #QF  0.52
 15 ILE  HB     16 VAL  HA      4.48            #peak   415 #SUP  0.35  #QF  0.35
 20 GLU  HA     20 GLU  HG2     3.87            #peak   417 #SUP  0.63  #QF  0.63
 20 GLU  HA     20 GLU  HG3     3.87            #peak   418 #SUP  0.56  #QF  0.56
 10 ALA  HA     13 ASP  HB3     4.23            #peak   420 #SUP  0.37  #QF  0.37
 10 ALA  HA     13 ASP  HB2     4.23            #peak   421 #SUP  0.29  #QF  0.29
 15 ILE  HA     18 PHE  HB2     3.62            #peak   422 #SUP  0.42  #QF  0.42
 15 ILE  HA     18 PHE  HB3     4.26            #peak   423 #SUP  0.69  #QF  0.48
 18 PHE  HB3    19 GLY  QA      4.48            #peak   423 #SUP  0.69  #QF  0.48
  8 TYR  HA      8 TYR  QD      3.84            #peak   458 #SUP  0.72  #QF  0.72
  6 SER  HB3     8 TYR  QD      4.73            #peak   460 #SUP  0.65  #QF  0.65
  6 SER  HB3     8 TYR  H       4.47            #peak   466 #SUP  0.79  #QF  0.40
  6 SER  HB3     8 TYR  QE      4.80            #peak   466 #SUP  0.79  #QF  0.40
 15 ILE  HA     18 PHE  QD      4.11            #peak   468 #SUP  0.49  #QF  0.49
 22 PHE  QD     23 LEU  HA      4.25            #peak   473 #SUP  0.82  #QF  0.82
  6 SER  HB3     9 ALA  H       4.83            #peak   476 #SUP  0.49  #QF  0.49
  6 SER  HB2     9 ALA  H       4.83            #peak   477 #SUP  0.56  #QF  0.56
  8 TYR  H       8 TYR  HB2     3.69            #peak   497 #SUP  0.49  #QF  0.49
 10 ALA  H      10 ALA  HA      2.88            #peak   501 #SUP  0.51  #QF  0.51
 17 SER  H      17 SER  HB2     3.54            #peak   504 #SUP  0.52  #QF  0.52
 17 SER  H      17 SER  HB3     3.54            #peak   505 #SUP  0.61  #QF  0.61
 15 ILE  HA     17 SER  H       4.25            #peak   507 #SUP  0.32  #QF  0.32
 17 SER  HB2    18 PHE  H       4.48            #peak   512 #SUP  0.75  #QF  0.31
  8 TYR  HA     11 ALA  H       3.87            #peak   513 #SUP  0.65  #QF  0.65
 11 ALA  HA     12 GLY  H       3.48            #peak   524 #SUP  0.44  #QF  0.44
 18 PHE  H      20 GLU  H       5.01            #peak   536 #SUP  0.75  #QF  0.75
  6 SER  HB3     7 TRP  H       4.14            #peak   540 #SUP  0.72  #QF  0.72
  6 SER  HB2     7 TRP  H       4.14            #peak   541 #SUP  0.76  #QF  0.76
 13 ASP  H      13 ASP  HB3     3.48            #peak   550 #SUP  0.39  #QF  0.39
 20 GLU  H      20 GLU  HG2     4.01            #peak   552 #SUP  0.61  #QF  0.61
 15 ILE  H      16 VAL  HB      4.88            #peak   565 #SUP  0.59  #QF  0.59
 13 ASP  H      14 ALA  QB      4.20            #peak   579 #SUP  0.52  #QF  0.52
 14 ALA  QB     15 ILE  H       3.56            #peak   580 #SUP  0.76  #QF  0.76
 14 ALA  QB     17 SER  H       4.89            #peak   581 #SUP  0.37  #QF  0.37
  2 LYS  QG      3 LYS  H       3.86            #peak   587 #SUP  0.51  #QF  0.51
 20 GLU  HB3    21 GLY  H       3.95            #peak   596 #SUP  0.44  #QF  0.44
  8 TYR  HB3     9 ALA  H       4.33            #peak   601 #SUP  0.41  #QF  0.41
 24 ASN  H      25 ALA  QB      4.61            #peak   602 #SUP  0.49  #QF  0.49
 10 ALA  H      11 ALA  QB      4.30            #peak   603 #SUP  0.49  #QF  0.49
 25 ALA  QB     26 TRP  H       3.85            #peak   604 #SUP  0.61  #QF  0.61
  9 ALA  H       9 ALA  QB      3.02            #peak   606 #SUP  0.48  #QF  0.48
 14 ALA  QB     18 PHE  QD      4.92            #peak   608 #SUP  0.72  #QF  0.72
  7 TRP  HE3    11 ALA  QB      3.98            #peak   609 #SUP  0.42  #QF  0.42
 15 ILE  QG2    18 PHE  QD      4.73            #peak   612 #SUP  0.57  #QF  0.57
 23 LEU  H      23 LEU  QD1     4.12            #peak   614 #SUP  0.73  #QF  0.73
 23 LEU  H      23 LEU  QD2     4.01            #peak   615 #SUP  0.73  #QF  0.73
  7 TRP  HZ3    11 ALA  QB      4.47            #peak   617 #SUP  0.48  #QF  0.48
 13 ASP  HA     16 VAL  QG1     4.41            #peak   630 #SUP  0.39  #QF  0.39
 13 ASP  HA     16 VAL  QG2     3.96            #peak   631 #SUP  0.35  #QF  0.35
 16 VAL  QG1    17 SER  HA      4.15            #peak   632 #SUP  0.56  #QF  0.56
 23 LEU  HA     23 LEU  QD2     3.28            #peak   635 #SUP  0.64  #QF  0.64
  2 LYS  HA      2 LYS  QG      3.44            #peak   640 #SUP  0.76  #QF  0.76
  5 GLN  HA      9 ALA  QB      4.06            #peak   641 #SUP  0.34  #QF  0.34
  6 SER  HA      9 ALA  QB      4.42            #peak   642 #SUP  0.68  #QF  0.68
 10 ALA  HA     14 ALA  QB      3.50            #peak   649 #SUP  0.64  #QF  0.64
 13 ASP  HA     16 VAL  HB      3.73            #peak   659 #SUP  0.38  #QF  0.38
 17 SER  HA     20 GLU  HB3     4.08            #peak   663 #SUP  0.73  #QF  0.73
 17 SER  HA     20 GLU  HB2     4.08            #peak   664 #SUP  0.88  #QF  0.88
 12 GLY  HA2    15 ILE  QD1     4.00            #peak   681 #SUP  0.35  #QF  0.35
 16 VAL  HA     16 VAL  QG1     3.06            #peak   682 #SUP  0.39  #QF  0.39
 15 ILE  HA     15 ILE  QG2     3.15            #peak   683 #SUP  0.37  #QF  0.37
 12 GLY  HA3    16 VAL  QG2     4.42            #peak   685 #SUP  0.26  #QF  0.26
 16 VAL  HA     16 VAL  QG2     3.05            #peak   686 #SUP  0.34  #QF  0.34
 11 ALA  HA     15 ILE  QG2     5.50            #peak   689 #SUP  0.79  #QF  0.40
 16 VAL  QG1    20 GLU  HG3     4.26            #peak   691 #SUP  0.47  #QF  0.47
  5 GLN  HB2     9 ALA  QB      3.65            #peak   737 #SUP  0.39  #QF  0.39
  1 LYS  QG      1 LYS  QD      2.64            #peak   744 #SUP  0.99  #QF  0.83
  2 LYS  QG      2 LYS  QD      2.90            #peak   744 #SUP  0.99  #QF  0.83
 23 LEU  HB2    23 LEU  QD1     3.66            #peak   752 #SUP  0.91  #QF  0.70
 23 LEU  HB2    23 LEU  QD2     3.90            #peak   753 #SUP  0.89  #QF  0.62
 15 ILE  HB     16 VAL  QG2     3.73            #peak   762 #SUP  0.30  #QF  0.30
 15 ILE  HB     15 ILE  QD1     3.25            #peak   766 #SUP  0.35  #QF  0.35
 23 LEU  HB3    23 LEU  QD1     3.66            #peak   773 #SUP  0.68  #QF  0.68
 23 LEU  HB3    23 LEU  QD2     3.90            #peak   774 #SUP  0.65  #QF  0.65
 14 ALA  QB     15 ILE  QD1     4.42            #peak   776 #SUP  0.48  #QF  0.48
  5 GLN  HB3     9 ALA  QB      3.65            #peak   777 #SUP  0.56  #QF  0.56
 16 VAL  QG1    20 GLU  HG2     4.26            #peak   779 #SUP  0.44  #QF  0.44
 11 ALA  QB     15 ILE  QD1     3.48            #peak   782 #SUP  0.41  #QF  0.41
 15 ILE  QG2    15 ILE  QD1     2.60            #peak   787 #SUP  0.43  #QF  0.43
 11 ALA  QB     15 ILE  QG2     5.05            #peak   792 #SUP  0.32  #QF  0.32
 11 ALA  QB     14 ALA  QB      4.20            #peak   798 #SUP  0.73  #QF  0.73
 13 ASP  HB3    14 ALA  H       3.78            #peak   803 #SUP  0.54  #QF  0.54
  7 TRP  H       7 TRP  HE3     5.18            #peak   819 #SUP  0.39  #QF  0.39
 10 ALA  HA     14 ALA  H       4.03            #peak   826 #SUP  0.45  #QF  0.45
 16 VAL  H      16 VAL  QG2     3.10            #peak   830 #SUP  0.46  #QF  0.46
 15 ILE  H      16 VAL  QG2     4.42            #peak   831 #SUP  0.52  #QF  0.52
 16 VAL  QG1    17 SER  H       3.66            #peak   834 #SUP  0.45  #QF  0.45
 15 ILE  H      15 ILE  QG2     3.83            #peak   835 #SUP  0.53  #QF  0.53
 15 ILE  H      15 ILE  QD1     3.99            #peak   836 #SUP  0.53  #QF  0.53
 24 ASN  QB     25 ALA  QB      4.67            #peak   839 #SUP  0.59  #QF  0.59
  7 TRP  HD1     8 TYR  H       4.25            #peak   849 #SUP  0.56  #QF  0.56
 18 PHE  HA     21 GLY  H       4.56            #peak   853 #SUP  0.73  #QF  0.60
  7 TRP  HA     10 ALA  H       4.13            #peak   858 #SUP  0.35  #QF  0.35
  1 LYS  QG      1 LYS  QZ      4.38            #peak   864 #SUP  0.98  #QF  0.98
 15 ILE  QD1    18 PHE  QD      5.50            #peak   865 #SUP  0.57  #QF  0.57
 23 LEU  QD2    24 ASN  HD21    5.50            #peak   867 #SUP  0.60  #QF  0.60
 15 ILE  QD1    16 VAL  H       4.43            #peak   868 #SUP  0.57  #QF  0.57
 12 GLY  H      16 VAL  QG2     5.50            #peak   869 #SUP  0.52  #QF  0.52
 13 ASP  H      16 VAL  QG2     5.17            #peak   870 #SUP  0.31  #QF  0.31
 12 GLY  H      15 ILE  QD1     5.14            #peak   874 #SUP  0.46  #QF  0.46
 14 ALA  H      16 VAL  QG2     5.50            #peak   878 #SUP  0.42  #QF  0.42
 11 ALA  QB     14 ALA  H       5.47            #peak   880 #SUP  0.52  #QF  0.52
 16 VAL  HA     20 GLU  H       4.53            #peak   884 #SUP  0.44  #QF  0.44
 23 LEU  HA     24 ASN  HD21    5.50            #peak   887 #SUP  0.74  #QF  0.74
  9 ALA  H      10 ALA  HA      5.50            #peak   888 #SUP  0.35  #QF  0.35
  5 GLN  HE21   10 ALA  HA      4.87            #peak   889 #SUP  0.93  #QF  0.93
  6 SER  HB2     7 TRP  HD1     5.50            #peak   891 #SUP  0.41  #QF  0.26
  6 SER  HB3     7 TRP  HD1     5.50            #peak   891 #SUP  0.41  #QF  0.26
 14 ALA  H      16 VAL  HB      5.50            #peak   892 #SUP  0.31  #QF  0.31
 14 ALA  H      15 ILE  HB      5.16            #peak   896 #SUP  0.52  #QF  0.52
 20 GLU  H      21 GLY  HA3     5.06            #peak   902 #SUP  0.68  #QF  0.68
 17 SER  H      18 PHE  HB3     5.50            #peak   903 #SUP  0.27  #QF  0.27
 17 SER  H      18 PHE  HB2     4.38            #peak   904 #SUP  0.26  #QF  0.26
  5 GLN  HE22   10 ALA  HA      4.87            #peak   907 #SUP  0.48  #QF  0.48
 25 ALA  QB     26 TRP  HD1     5.02            #peak   908 #SUP  0.64  #QF  0.64
 14 ALA  QB     15 ILE  QG2     5.06            #peak   922 #SUP  0.51  #QF  0.51
 16 VAL  QG1    20 GLU  HA      5.50            #peak   926 #SUP  0.56  #QF  0.56
 18 PHE  QD     21 GLY  HA3     5.09            #peak   928 #SUP  0.66  #QF  0.66
  1 LYS  QB      2 LYS  H       4.46            #peak    36
  2 LYS  QB      3 LYS  H       4.03            #peak   576
  3 LYS  H       3 LYS  QB      3.69            #peak    43
  4 LYS  H       4 LYS  QB      3.31            #peak    42
  4 LYS  H       4 LYS  QG      3.43            #peak    17
  4 LYS  QB      4 LYS  QE      2.81            #peak   690
  4 LYS  QG      5 GLN  QB      3.89            #peak   738
  4 LYS  QG      5 GLN  QG      3.25            #peak   916
  5 GLN  H       5 GLN  QB      3.30            #peak    45
  5 GLN  HA      5 GLN  QG      3.74            #peak   660
  5 GLN  QB      6 SER  H       3.82            #peak    40
  5 GLN  QB      9 ALA  QB      3.20            #peak   777
  5 GLN  QG      6 SER  H       4.35            #peak   564
  5 GLN  QG      9 ALA  QB      2.84            #peak   914
  5 GLN  QE2     9 ALA  QB      3.96            #peak   354
  5 GLN  QE2    10 ALA  HA      4.10            #peak   889
  5 GLN  QE2    10 ALA  QB      4.81            #peak   626
  6 SER  H       6 SER  QB      3.35            #peak    98
  6 SER  QB      7 TRP  H       3.52            #peak   541
  6 SER  QB      8 TYR  H       3.88            #peak   321
  6 SER  QB      8 TYR  QD      3.85            #peak   327
  6 SER  QB      8 TYR  QE      4.13            #peak   321
  6 SER  QB      9 ALA  H       4.18            #peak   477
  8 TYR  QB      9 ALA  H       3.74            #peak    76
 10 ALA  HA     13 ASP  QB      3.60            #peak   421
 10 ALA  QB     13 ASP  QB      5.21            #peak   910
 13 ASP  H      13 ASP  QB      3.02            #peak    67
 13 ASP  QB     14 ALA  H       3.27            #peak   803
 13 ASP  QB     14 ALA  QB      5.13            #peak   920
 14 ALA  HA     17 SER  QB      3.33            #peak   441
 14 ALA  QB     17 SER  QB      4.42            #peak   401
 15 ILE  H      15 ILE  QG1     3.26            #peak    47
 15 ILE  HA     15 ILE  QG1     3.09            #peak   389
 15 ILE  QG2    15 ILE  QG1     3.32            #peak   768
 16 VAL  QG1    17 SER  QB      4.51            #peak   688
 16 VAL  QG1    20 GLU  QG      3.63            #peak   691
 17 SER  HA     17 SER  QB      2.64            #peak   440
 17 SER  HA     20 GLU  QB      3.51            #peak   664
 18 PHE  QD     22 PHE  QB      5.32            #peak   332
 20 GLU  H      20 GLU  QB      3.08            #peak    63
 20 GLU  H      20 GLU  QG      3.37            #peak    65
 20 GLU  HA     20 GLU  QG      3.27            #peak   417
 23 LEU  H      23 LEU  QB      3.22            #peak    52
 23 LEU  QB     23 LEU  QD1     3.15            #peak   773
 23 LEU  QB     23 LEU  QD2     3.27            #peak   774
 26 TRP  H      26 TRP  QB      3.22            #peak   800
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           HT1      LYS   1  20.131  -4.783   0.643
    2    H2   LYS   1           HT2      LYS   1  19.745  -5.167  -0.939
    3    H3   LYS   1           HT3      LYS   1  21.311  -5.351  -0.420
    4    HA   LYS   1           HA       LYS   1  20.205  -7.392  -0.698
    5    HB2  LYS   1           HB2      LYS   1  20.524  -8.393   1.603
    6    HB3  LYS   1           HB3      LYS   1  21.906  -7.549   0.954
    7    HG2  LYS   1           HG2      LYS   1  20.022  -6.216   2.887
    8    HG3  LYS   1           HG3      LYS   1  21.323  -7.255   3.448
    9    HD2  LYS   1           HD2      LYS   1  21.674  -4.778   1.750
   10    HD3  LYS   1           HD3      LYS   1  21.938  -4.871   3.491
   11    HE2  LYS   1           HE2      LYS   1  23.460  -6.394   1.362
   12    HE3  LYS   1           HE3      LYS   1  24.038  -5.016   2.277
   13    HZ1  LYS   1           HZ1      LYS   1  23.981  -6.284   4.279
   14    HZ2  LYS   1           HZ2      LYS   1  24.837  -7.182   3.144
   15    HZ3  LYS   1           HZ3      LYS   1  23.258  -7.588   3.527
   16    H    LYS   2           H        LYS   2  18.491  -5.611   1.944
   17    HA   LYS   2           HA       LYS   2  16.186  -7.189   1.142
   18    HB2  LYS   2           HB2      LYS   2  17.159  -8.172   3.175
   19    HB3  LYS   2           HB3      LYS   2  17.019  -6.611   3.968
   20    HG2  LYS   2           HG2      LYS   2  15.216  -7.963   4.726
   21    HG3  LYS   2           HG3      LYS   2  14.564  -6.731   3.651
   22    HD2  LYS   2           HD2      LYS   2  13.508  -8.866   3.187
   23    HD3  LYS   2           HD3      LYS   2  14.494  -8.368   1.817
   24    HE2  LYS   2           HE2      LYS   2  14.772 -10.751   2.270
   25    HE3  LYS   2           HE3      LYS   2  16.281  -9.894   2.550
   26    HZ1  LYS   2           HZ1      LYS   2  15.818 -11.514   4.272
   27    HZ2  LYS   2           HZ2      LYS   2  14.377 -10.759   4.680
   28    HZ3  LYS   2           HZ3      LYS   2  15.841  -9.986   4.943
   29    H    LYS   3           H        LYS   3  15.470  -5.438  -0.005
   30    HA   LYS   3           HA       LYS   3  13.474  -4.023   1.199
   31    HB2  LYS   3           HB2      LYS   3  15.278  -2.533   2.124
   32    HB3  LYS   3           HB3      LYS   3  15.786  -2.178   0.472
   33    HG2  LYS   3           HG2      LYS   3  13.742  -1.034   0.008
   34    HG3  LYS   3           HG3      LYS   3  13.021  -1.615   1.507
   35    HD2  LYS   3           HD2      LYS   3  13.626   0.710   1.775
   36    HD3  LYS   3           HD3      LYS   3  14.682  -0.280   2.773
   37    HE2  LYS   3           HE2      LYS   3  15.948   1.478   1.684
   38    HE3  LYS   3           HE3      LYS   3  16.444  -0.089   1.063
   39    HZ1  LYS   3           HZ1      LYS   3  16.163   1.558  -0.685
   40    HZ2  LYS   3           HZ2      LYS   3  14.533   1.744  -0.323
   41    HZ3  LYS   3           HZ3      LYS   3  15.148   0.250  -0.875
   42    H    LYS   4           H        LYS   4  12.074  -3.695  -0.284
   43    HA   LYS   4           HA       LYS   4  12.993  -3.518  -3.057
   44    HB2  LYS   4           HB2      LYS   4  10.828  -4.569  -3.701
   45    HB3  LYS   4           HB3      LYS   4  11.855  -5.615  -2.738
   46    HG2  LYS   4           HG2      LYS   4  10.516  -5.236  -0.794
   47    HG3  LYS   4           HG3      LYS   4   9.529  -4.040  -1.627
   48    HD2  LYS   4           HD2      LYS   4   8.368  -6.161  -1.495
   49    HD3  LYS   4           HD3      LYS   4   8.762  -5.794  -3.181
   50    HE2  LYS   4           HE2      LYS   4   9.170  -8.143  -2.673
   51    HE3  LYS   4           HE3      LYS   4  10.678  -7.317  -3.054
   52    HZ1  LYS   4           HZ1      LYS   4  10.904  -8.774  -1.173
   53    HZ2  LYS   4           HZ2      LYS   4   9.701  -7.999  -0.318
   54    HZ3  LYS   4           HZ3      LYS   4  11.148  -7.202  -0.667
   55    H    GLN   5           H        GLN   5  10.831  -2.339  -0.613
   56    HA   GLN   5           HA       GLN   5  10.219  -0.024  -2.280
   57    HB2  GLN   5           HB2      GLN   5   8.309  -1.549  -0.485
   58    HB3  GLN   5           HB3      GLN   5   7.945   0.008  -1.213
   59    HG2  GLN   5           HG2      GLN   5   8.030  -0.934  -3.408
   60    HG3  GLN   5           HG3      GLN   5   8.575  -2.486  -2.774
   61   HE21  GLN   5          HE21      GLN   5   5.889  -0.338  -3.230
   62   HE22  GLN   5          HE22      GLN   5   4.643  -1.456  -2.820
   63    H    SER   6           H        SER   6  11.041   1.693  -1.319
   64    HA   SER   6           HA       SER   6  11.851   1.702   1.419
   65    HB2  SER   6           HB2      SER   6  11.561   3.986  -0.535
   66    HB3  SER   6           HB3      SER   6  12.521   3.995   0.947
   67    HG   SER   6           HG       SER   6  13.047   3.030  -1.518
   68    H    TRP   7           H        TRP   7  11.123   3.698   2.777
   69    HA   TRP   7           HA       TRP   7   8.587   3.174   3.694
   70    HB2  TRP   7           HB2      TRP   7   8.754   5.251   5.039
   71    HB3  TRP   7           HB3      TRP   7  10.225   4.301   5.106
   72    HD1  TRP   7           HD1      TRP   7  12.419   5.359   3.920
   73    HE1  TRP   7           HE1      TRP   7  12.991   7.768   3.242
   74    HE3  TRP   7           HE3      TRP   7   7.759   7.414   4.149
   75    HZ2  TRP   7           HZ2      TRP   7  11.676  10.206   2.860
   76    HZ3  TRP   7           HZ3      TRP   7   7.495   9.801   3.597
   77    HH2  TRP   7           HH2      TRP   7   9.415  11.168   2.969
   78    H    TYR   8           H        TYR   8   9.481   5.622   1.388
   79    HA   TYR   8           HA       TYR   8   6.853   6.782   1.291
   80    HB2  TYR   8           HB2      TYR   8   7.767   8.061  -0.686
   81    HB3  TYR   8           HB3      TYR   8   8.648   8.277   0.821
   82    HD1  TYR   8           HD1      TYR   8   8.769   6.729  -2.530
   83    HD2  TYR   8           HD2      TYR   8  10.893   7.538   1.051
   84    HE1  TYR   8           HE1      TYR   8  10.862   6.054  -3.630
   85    HE2  TYR   8           HE2      TYR   8  12.996   6.870  -0.035
   86    HH   TYR   8           HH       TYR   8  13.183   6.397  -3.408
   87    H    ALA   9           H        ALA   9   8.495   4.348  -0.340
   88    HA   ALA   9           HA       ALA   9   6.810   4.246  -2.655
   89    HB1  ALA   9           HB1      ALA   9   8.003   2.138  -3.141
   90    HB2  ALA   9           HB2      ALA   9   8.755   2.211  -1.548
   91    HB3  ALA   9           HB3      ALA   9   9.121   3.445  -2.750
   92    H    ALA  10           H        ALA  10   7.145   2.401   0.375
   93    HA   ALA  10           HA       ALA  10   5.019   0.688  -0.139
   94    HB1  ALA  10           HB1      ALA  10   5.236   0.117   2.232
   95    HB2  ALA  10           HB2      ALA  10   6.317   1.493   2.462
   96    HB3  ALA  10           HB3      ALA  10   6.812   0.144   1.438
   97    H    ALA  11           H        ALA  11   5.351   3.640   1.815
   98    HA   ALA  11           HA       ALA  11   2.719   3.687   2.714
   99    HB1  ALA  11           HB1      ALA  11   4.469   5.088   3.648
  100    HB2  ALA  11           HB2      ALA  11   3.040   6.036   3.217
  101    HB3  ALA  11           HB3      ALA  11   4.477   6.073   2.186
  102    H    GLY  12           H        GLY  12   4.013   4.889  -0.315
  103    HA2  GLY  12           HA2      GLY  12   1.534   6.075  -1.083
  104    HA3  GLY  12           HA3      GLY  12   2.869   5.688  -2.177
  105    H    ASP  13           H        ASP  13   3.132   3.083  -1.986
  106    HA   ASP  13           HA       ASP  13   1.064   2.161  -3.671
  107    HB2  ASP  13           HB2      ASP  13   3.349   1.437  -3.966
  108    HB3  ASP  13           HB3      ASP  13   3.374   0.738  -2.365
  109    H    ALA  14           H        ALA  14   1.891   1.349  -0.459
  110    HA   ALA  14           HA       ALA  14   0.060  -0.752  -0.055
  111    HB1  ALA  14           HB1      ALA  14   2.020  -0.387   1.359
  112    HB2  ALA  14           HB2      ALA  14   0.567  -0.408   2.378
  113    HB3  ALA  14           HB3      ALA  14   1.347   1.114   1.911
  114    H    ILE  15           H        ILE  15  -0.147   2.693   0.654
  115    HA   ILE  15           HA       ILE  15  -2.718   2.428   1.916
  116    HB   ILE  15           HB       ILE  15  -1.242   4.931   1.081
  117   HG12  ILE  15          HG12      ILE  15  -1.581   3.682   3.815
  118   HG13  ILE  15          HG13      ILE  15  -0.136   3.545   2.821
  119   HG21  ILE  15          HG21      ILE  15  -3.649   5.364   1.229
  120   HG22  ILE  15          HG22      ILE  15  -2.794   6.145   2.559
  121   HG23  ILE  15          HG23      ILE  15  -3.682   4.645   2.841
  122   HD11  ILE  15          HD11      ILE  15   0.124   5.260   4.507
  123   HD12  ILE  15          HD12      ILE  15  -1.303   6.101   3.851
  124   HD13  ILE  15          HD13      ILE  15   0.147   5.910   2.859
  125    H    VAL  16           H        VAL  16  -1.629   3.582  -1.151
  126    HA   VAL  16           HA       VAL  16  -4.214   4.240  -2.057
  127    HB   VAL  16           HB       VAL  16  -1.790   3.493  -3.737
  128   HG11  VAL  16          HG11      VAL  16  -4.409   4.703  -4.652
  129   HG12  VAL  16          HG12      VAL  16  -3.842   3.065  -5.008
  130   HG13  VAL  16          HG13      VAL  16  -2.973   4.459  -5.651
  131   HG21  VAL  16          HG21      VAL  16  -3.049   6.161  -3.100
  132   HG22  VAL  16          HG22      VAL  16  -1.668   5.913  -4.168
  133   HG23  VAL  16          HG23      VAL  16  -1.532   5.544  -2.448
  134    H    SER  17           H        SER  17  -2.456   1.266  -2.191
  135    HA   SER  17           HA       SER  17  -4.460  -0.077  -3.704
  136    HB2  SER  17           HB2      SER  17  -1.980  -0.761  -3.457
  137    HB3  SER  17           HB3      SER  17  -2.485  -1.532  -1.955
  138    HG   SER  17           HG       SER  17  -3.804  -1.934  -4.381
  139    H    PHE  18           H        PHE  18  -3.885   0.465  -0.339
  140    HA   PHE  18           HA       PHE  18  -5.618  -1.310   0.898
  141    HB2  PHE  18           HB2      PHE  18  -3.952   0.410   1.868
  142    HB3  PHE  18           HB3      PHE  18  -5.225   1.582   1.639
  143    HD1  PHE  18           HD1      PHE  18  -7.609   0.528   2.681
  144    HD2  PHE  18           HD2      PHE  18  -3.651  -0.162   4.004
  145    HE1  PHE  18           HE1      PHE  18  -8.481   0.043   4.936
  146    HE2  PHE  18           HE2      PHE  18  -4.492  -0.673   6.275
  147    HZ   PHE  18           HZ       PHE  18  -6.910  -0.578   6.740
  148    H    GLY  19           H        GLY  19  -6.095   1.907  -0.483
  149    HA2  GLY  19           HA2      GLY  19  -8.847   2.194   0.092
  150    HA3  GLY  19           HA3      GLY  19  -7.973   3.075  -1.150
  151    H    GLU  20           H        GLU  20  -7.121   0.845  -2.677
  152    HA   GLU  20           HA       GLU  20  -9.326   0.449  -4.377
  153    HB2  GLU  20           HB2      GLU  20  -6.880  -1.301  -4.115
  154    HB3  GLU  20           HB3      GLU  20  -7.938  -1.224  -5.503
  155    HG2  GLU  20           HG2      GLU  20  -7.212   1.071  -5.885
  156    HG3  GLU  20           HG3      GLU  20  -6.122   0.943  -4.506
  157    H    GLY  21           H        GLY  21  -7.775  -1.510  -2.049
  158    HA2  GLY  21           HA2      GLY  21  -9.292  -3.872  -2.186
  159    HA3  GLY  21           HA3      GLY  21  -8.406  -3.298  -0.771
  160    H    PHE  22           H        PHE  22  -9.635  -1.058  -0.199
  161    HA   PHE  22           HA       PHE  22 -11.827  -1.788   1.362
  162    HB2  PHE  22           HB2      PHE  22 -10.508   0.107   1.963
  163    HB3  PHE  22           HB3      PHE  22 -10.816   0.882   0.421
  164    HD1  PHE  22           HD1      PHE  22 -12.547  -0.275   3.487
  165    HD2  PHE  22           HD2      PHE  22 -12.445   2.453   0.257
  166    HE1  PHE  22           HE1      PHE  22 -14.379   1.029   4.535
  167    HE2  PHE  22           HE2      PHE  22 -14.264   3.751   1.246
  168    HZ   PHE  22           HZ       PHE  22 -15.249   3.037   3.413
  169    H    LEU  23           H        LEU  23 -11.732  -0.520  -1.901
  170    HA   LEU  23           HA       LEU  23 -14.477   0.224  -2.007
  171    HB2  LEU  23           HB2      LEU  23 -12.581  -0.276  -4.286
  172    HB3  LEU  23           HB3      LEU  23 -14.142   0.500  -4.425
  173    HG   LEU  23           HG       LEU  23 -11.672   1.557  -3.078
  174   HD11  LEU  23          HD11      LEU  23 -11.958   3.397  -4.641
  175   HD12  LEU  23          HD12      LEU  23 -13.295   2.547  -5.395
  176   HD13  LEU  23          HD13      LEU  23 -11.665   1.858  -5.448
  177   HD21  LEU  23          HD21      LEU  23 -13.564   2.107  -1.678
  178   HD22  LEU  23          HD22      LEU  23 -14.428   2.779  -3.070
  179   HD23  LEU  23          HD23      LEU  23 -12.932   3.535  -2.497
  180    H    ASN  24           H        ASN  24 -13.100  -2.783  -1.984
  181    HA   ASN  24           HA       ASN  24 -14.607  -4.209  -3.892
  182    HB2  ASN  24           HB2      ASN  24 -13.919  -6.210  -2.848
  183    HB3  ASN  24           HB3      ASN  24 -12.612  -5.077  -2.592
  184   HD21  ASN  24          HD21      ASN  24 -13.885  -3.675  -0.244
  185   HD22  ASN  24          HD22      ASN  24 -13.809  -4.840   1.008
  186    H    ALA  25           H        ALA  25 -15.718  -2.698  -1.103
  187    HA   ALA  25           HA       ALA  25 -18.070  -4.440  -0.951
  188    HB1  ALA  25           HB1      ALA  25 -16.764  -4.336   1.103
  189    HB2  ALA  25           HB2      ALA  25 -18.361  -3.613   1.329
  190    HB3  ALA  25           HB3      ALA  25 -16.935  -2.580   1.140
  191    H    TRP  26           H        TRP  26 -17.201  -1.915  -2.583
  192    HA   TRP  26           HA       TRP  26 -19.678  -0.448  -2.124
  193    HB2  TRP  26           HB2      TRP  26 -16.981   0.656  -2.996
  194    HB3  TRP  26           HB3      TRP  26 -18.491   1.557  -3.038
  195    HD1  TRP  26           HD1      TRP  26 -16.016   0.023  -0.508
  196    HE1  TRP  26           HE1      TRP  26 -16.278   1.252   1.729
  197    HE3  TRP  26           HE3      TRP  26 -20.030   2.965  -1.670
  198    HZ2  TRP  26           HZ2      TRP  26 -17.965   3.229   2.863
  199    HZ3  TRP  26           HZ3      TRP  26 -20.900   4.499   0.042
  200    HH2  TRP  26           HH2      TRP  26 -19.885   4.626   2.263
  Start of MODEL    2
    1    H1   LYS   1           HT1      LYS   1  13.132  10.701  -3.389
    2    H2   LYS   1           HT2      LYS   1  14.684  10.066  -3.357
    3    H3   LYS   1           HT3      LYS   1  14.474  11.724  -3.488
    4    HA   LYS   1           HA       LYS   1  15.187  11.085  -1.334
    5    HB2  LYS   1           HB2      LYS   1  13.378  12.130   0.009
    6    HB3  LYS   1           HB3      LYS   1  13.778  13.032  -1.443
    7    HG2  LYS   1           HG2      LYS   1  11.782  12.099  -2.550
    8    HG3  LYS   1           HG3      LYS   1  11.389  11.229  -1.075
    9    HD2  LYS   1           HD2      LYS   1  10.079  13.301  -1.295
   10    HD3  LYS   1           HD3      LYS   1  11.134  13.336   0.119
   11    HE2  LYS   1           HE2      LYS   1  12.673  14.787  -0.957
   12    HE3  LYS   1           HE3      LYS   1  11.909  14.547  -2.523
   13    HZ1  LYS   1           HZ1      LYS   1  11.329  16.681  -1.544
   14    HZ2  LYS   1           HZ2      LYS   1  10.658  15.907  -0.199
   15    HZ3  LYS   1           HZ3      LYS   1   9.980  15.692  -1.707
   16    H    LYS   2           H        LYS   2  12.185   9.395  -2.242
   17    HA   LYS   2           HA       LYS   2  12.349   7.804   0.168
   18    HB2  LYS   2           HB2      LYS   2  10.161   8.671  -0.706
   19    HB3  LYS   2           HB3      LYS   2  10.377   7.643  -2.109
   20    HG2  LYS   2           HG2      LYS   2  10.485   5.689  -0.566
   21    HG3  LYS   2           HG3      LYS   2  10.005   6.764   0.739
   22    HD2  LYS   2           HD2      LYS   2   8.444   6.215  -1.783
   23    HD3  LYS   2           HD3      LYS   2   8.085   5.571  -0.176
   24    HE2  LYS   2           HE2      LYS   2   7.624   7.805   0.646
   25    HE3  LYS   2           HE3      LYS   2   8.090   8.506  -0.899
   26    HZ1  LYS   2           HZ1      LYS   2   5.678   8.317  -0.668
   27    HZ2  LYS   2           HZ2      LYS   2   5.795   6.641  -0.531
   28    HZ3  LYS   2           HZ3      LYS   2   6.242   7.404  -1.948
   29    H    LYS   3           H        LYS   3  13.948   6.401   0.031
   30    HA   LYS   3           HA       LYS   3  13.755   4.369  -2.071
   31    HB2  LYS   3           HB2      LYS   3  16.186   4.203  -2.204
   32    HB3  LYS   3           HB3      LYS   3  15.679   5.840  -2.575
   33    HG2  LYS   3           HG2      LYS   3  16.356   6.543  -0.301
   34    HG3  LYS   3           HG3      LYS   3  16.895   4.894   0.025
   35    HD2  LYS   3           HD2      LYS   3  18.427   5.089  -1.962
   36    HD3  LYS   3           HD3      LYS   3  17.978   6.788  -2.071
   37    HE2  LYS   3           HE2      LYS   3  20.078   6.565  -0.901
   38    HE3  LYS   3           HE3      LYS   3  18.851   7.145   0.214
   39    HZ1  LYS   3           HZ1      LYS   3  18.630   4.836   1.036
   40    HZ2  LYS   3           HZ2      LYS   3  20.165   5.431   1.263
   41    HZ3  LYS   3           HZ3      LYS   3  19.880   4.343   0.032
   42    H    LYS   4           H        LYS   4  12.657   4.508   0.533
   43    HA   LYS   4           HA       LYS   4  14.387   2.730   2.113
   44    HB2  LYS   4           HB2      LYS   4  13.162   3.368   4.082
   45    HB3  LYS   4           HB3      LYS   4  13.771   4.801   3.277
   46    HG2  LYS   4           HG2      LYS   4  11.581   5.286   2.397
   47    HG3  LYS   4           HG3      LYS   4  10.946   3.780   3.064
   48    HD2  LYS   4           HD2      LYS   4  12.019   6.133   4.631
   49    HD3  LYS   4           HD3      LYS   4  10.329   5.668   4.479
   50    HE2  LYS   4           HE2      LYS   4  10.884   3.483   5.572
   51    HE3  LYS   4           HE3      LYS   4  12.521   4.065   5.830
   52    HZ1  LYS   4           HZ1      LYS   4  10.053   5.233   6.984
   53    HZ2  LYS   4           HZ2      LYS   4  11.620   5.852   7.194
   54    HZ3  LYS   4           HZ3      LYS   4  11.237   4.337   7.775
   55    H    GLN   5           H        GLN   5  11.706   2.540   0.140
   56    HA   GLN   5           HA       GLN   5  10.752   0.267   1.717
   57    HB2  GLN   5           HB2      GLN   5   9.192   1.731  -0.431
   58    HB3  GLN   5           HB3      GLN   5   8.605   0.418   0.576
   59    HG2  GLN   5           HG2      GLN   5   8.893   1.808   2.557
   60    HG3  GLN   5           HG3      GLN   5   9.439   3.139   1.550
   61   HE21  GLN   5          HE21      GLN   5   6.735   0.952   0.829
   62   HE22  GLN   5          HE22      GLN   5   5.507   2.156   0.980
   63    H    SER   6           H        SER   6  11.918  -1.355   1.100
   64    HA   SER   6           HA       SER   6  12.687  -1.915  -1.570
   65    HB2  SER   6           HB2      SER   6  12.435  -3.745   0.815
   66    HB3  SER   6           HB3      SER   6  13.413  -4.035  -0.627
   67    HG   SER   6           HG       SER   6  13.919  -2.502   1.578
   68    H    TRP   7           H        TRP   7  11.985  -4.198  -2.481
   69    HA   TRP   7           HA       TRP   7   9.392  -3.986  -3.377
   70    HB2  TRP   7           HB2      TRP   7   9.599  -6.349  -4.189
   71    HB3  TRP   7           HB3      TRP   7  10.964  -5.344  -4.615
   72    HD1  TRP   7           HD1      TRP   7  13.289  -5.895  -3.458
   73    HE1  TRP   7           HE1      TRP   7  14.178  -7.957  -2.274
   74    HE3  TRP   7           HE3      TRP   7   8.857  -8.282  -2.685
   75    HZ2  TRP   7           HZ2      TRP   7  13.102 -10.366  -1.136
   76    HZ3  TRP   7           HZ3      TRP   7   8.848 -10.442  -1.549
   77    HH2  TRP   7           HH2      TRP   7  10.960 -11.476  -0.790
   78    H    TYR   8           H        TYR   8  10.493  -5.797  -0.623
   79    HA   TYR   8           HA       TYR   8   7.918  -6.935  -0.111
   80    HB2  TYR   8           HB2      TYR   8   8.917  -7.646   2.100
   81    HB3  TYR   8           HB3      TYR   8   9.758  -8.227   0.672
   82    HD1  TYR   8           HD1      TYR   8  11.989  -7.487   0.172
   83    HD2  TYR   8           HD2      TYR   8   9.938  -5.936   3.547
   84    HE1  TYR   8           HE1      TYR   8  14.101  -6.568   1.022
   85    HE2  TYR   8           HE2      TYR   8  12.028  -5.006   4.405
   86    HH   TYR   8           HH       TYR   8  14.460  -5.560   4.147
   87    H    ALA   9           H        ALA   9   9.587  -4.202   0.951
   88    HA   ALA   9           HA       ALA   9   7.851  -3.482   3.107
   89    HB1  ALA   9           HB1      ALA   9   8.949  -1.244   2.965
   90    HB2  ALA   9           HB2      ALA   9   9.719  -1.754   1.475
   91    HB3  ALA   9           HB3      ALA   9  10.114  -2.573   2.990
   92    H    ALA  10           H        ALA  10   8.171  -2.570  -0.265
   93    HA   ALA  10           HA       ALA  10   6.004  -0.809  -0.359
   94    HB1  ALA  10           HB1      ALA  10   7.315  -2.392  -2.560
   95    HB2  ALA  10           HB2      ALA  10   7.779  -0.769  -2.040
   96    HB3  ALA  10           HB3      ALA  10   6.204  -1.045  -2.787
   97    H    ALA  11           H        ALA  11   6.359  -4.256  -1.168
   98    HA   ALA  11           HA       ALA  11   3.839  -4.679  -2.218
   99    HB1  ALA  11           HB1      ALA  11   5.651  -6.300  -2.277
  100    HB2  ALA  11           HB2      ALA  11   4.110  -6.986  -1.746
  101    HB3  ALA  11           HB3      ALA  11   5.387  -6.648  -0.564
  102    H    GLY  12           H        GLY  12   4.758  -4.673   1.161
  103    HA2  GLY  12           HA2      GLY  12   2.158  -5.482   2.010
  104    HA3  GLY  12           HA3      GLY  12   3.383  -4.750   3.043
  105    H    ASP  13           H        ASP  13   3.829  -2.397   1.987
  106    HA   ASP  13           HA       ASP  13   1.718  -0.867   3.049
  107    HB2  ASP  13           HB2      ASP  13   4.044  -0.239   3.260
  108    HB3  ASP  13           HB3      ASP  13   4.197  -0.113   1.520
  109    H    ALA  14           H        ALA  14   2.879  -1.220  -0.150
  110    HA   ALA  14           HA       ALA  14   1.233   0.651  -1.464
  111    HB1  ALA  14           HB1      ALA  14   2.003  -0.441  -3.547
  112    HB2  ALA  14           HB2      ALA  14   2.657  -1.772  -2.559
  113    HB3  ALA  14           HB3      ALA  14   3.342  -0.189  -2.416
  114    H    ILE  15           H        ILE  15   0.875  -2.816  -0.905
  115    HA   ILE  15           HA       ILE  15  -1.438  -2.949  -2.604
  116    HB   ILE  15           HB       ILE  15  -0.312  -5.015  -0.710
  117   HG12  ILE  15          HG12      ILE  15  -0.291  -4.815  -3.717
  118   HG13  ILE  15          HG13      ILE  15   1.062  -4.434  -2.660
  119   HG21  ILE  15          HG21      ILE  15  -2.737  -5.376  -0.974
  120   HG22  ILE  15          HG22      ILE  15  -1.816  -6.630  -1.800
  121   HG23  ILE  15          HG23      ILE  15  -2.549  -5.316  -2.729
  122   HD11  ILE  15          HD11      ILE  15   1.322  -6.625  -3.609
  123   HD12  ILE  15          HD12      ILE  15  -0.264  -7.096  -2.947
  124   HD13  ILE  15          HD13      ILE  15   1.065  -6.676  -1.851
  125    H    VAL  16           H        VAL  16  -0.902  -2.899   0.788
  126    HA   VAL  16           HA       VAL  16  -3.595  -3.055   1.566
  127    HB   VAL  16           HB       VAL  16  -1.363  -1.525   2.950
  128   HG11  VAL  16          HG11      VAL  16  -4.068  -2.311   4.056
  129   HG12  VAL  16          HG12      VAL  16  -3.568  -0.670   3.647
  130   HG13  VAL  16          HG13      VAL  16  -2.756  -1.541   4.950
  131   HG21  VAL  16          HG21      VAL  16  -2.558  -4.246   3.466
  132   HG22  VAL  16          HG22      VAL  16  -1.338  -3.459   4.471
  133   HG23  VAL  16          HG23      VAL  16  -0.954  -3.904   2.811
  134    H    SER  17           H        SER  17  -1.704  -0.288   0.736
  135    HA   SER  17           HA       SER  17  -3.767   1.655   1.060
  136    HB2  SER  17           HB2      SER  17  -1.357   2.241   1.109
  137    HB3  SER  17           HB3      SER  17  -1.215   1.772  -0.578
  138    HG   SER  17           HG       SER  17  -1.478   3.848  -0.727
  139    H    PHE  18           H        PHE  18  -2.711  -0.324  -1.594
  140    HA   PHE  18           HA       PHE  18  -4.222   0.876  -3.688
  141    HB2  PHE  18           HB2      PHE  18  -2.364  -1.147  -3.517
  142    HB3  PHE  18           HB3      PHE  18  -3.834  -2.054  -3.800
  143    HD1  PHE  18           HD1      PHE  18  -1.127  -0.691  -5.336
  144    HD2  PHE  18           HD2      PHE  18  -5.349  -0.862  -5.759
  145    HE1  PHE  18           HE1      PHE  18  -0.902  -0.178  -7.736
  146    HE2  PHE  18           HE2      PHE  18  -5.134  -0.364  -8.168
  147    HZ   PHE  18           HZ       PHE  18  -2.907  -0.019  -9.151
  148    H    GLY  19           H        GLY  19  -4.804  -1.822  -1.486
  149    HA2  GLY  19           HA2      GLY  19  -7.391  -2.489  -2.363
  150    HA3  GLY  19           HA3      GLY  19  -6.700  -2.878  -0.792
  151    H    GLU  20           H        GLU  20  -6.283  -0.361   0.260
  152    HA   GLU  20           HA       GLU  20  -8.851   0.376   1.103
  153    HB2  GLU  20           HB2      GLU  20  -6.220   1.815   1.326
  154    HB3  GLU  20           HB3      GLU  20  -7.669   2.370   2.136
  155    HG2  GLU  20           HG2      GLU  20  -7.772   0.172   3.305
  156    HG3  GLU  20           HG3      GLU  20  -6.219  -0.230   2.569
  157    H    GLY  21           H        GLY  21  -6.807   1.537  -1.351
  158    HA2  GLY  21           HA2      GLY  21  -8.204   3.870  -2.114
  159    HA3  GLY  21           HA3      GLY  21  -7.142   2.938  -3.168
  160    H    PHE  22           H        PHE  22  -8.693   0.541  -2.854
  161    HA   PHE  22           HA       PHE  22 -10.848   1.043  -4.691
  162    HB2  PHE  22           HB2      PHE  22  -9.601  -0.997  -4.977
  163    HB3  PHE  22           HB3      PHE  22  -9.916  -1.473  -3.314
  164    HD1  PHE  22           HD1      PHE  22 -11.456  -3.091  -3.014
  165    HD2  PHE  22           HD2      PHE  22 -11.887  -0.492  -6.337
  166    HE1  PHE  22           HE1      PHE  22 -13.448  -4.333  -3.709
  167    HE2  PHE  22           HE2      PHE  22 -13.892  -1.732  -7.056
  168    HZ   PHE  22           HZ       PHE  22 -14.680  -3.656  -5.739
  169    H    LEU  23           H        LEU  23 -10.556  -0.061  -1.381
  170    HA   LEU  23           HA       LEU  23 -13.280  -0.559  -0.858
  171    HB2  LEU  23           HB2      LEU  23 -11.138   0.115   1.137
  172    HB3  LEU  23           HB3      LEU  23 -12.663  -0.667   1.481
  173    HG   LEU  23           HG       LEU  23 -10.402  -1.795  -0.147
  174   HD11  LEU  23          HD11      LEU  23 -11.474  -2.586   2.542
  175   HD12  LEU  23          HD12      LEU  23  -9.933  -1.797   2.196
  176   HD13  LEU  23          HD13      LEU  23 -10.236  -3.435   1.618
  177   HD21  LEU  23          HD21      LEU  23 -13.061  -3.047   0.531
  178   HD22  LEU  23          HD22      LEU  23 -11.702  -3.839  -0.283
  179   HD23  LEU  23          HD23      LEU  23 -12.534  -2.493  -1.061
  180    H    ASN  24           H        ASN  24 -11.821   2.367  -1.210
  181    HA   ASN  24           HA       ASN  24 -13.204   3.967   0.697
  182    HB2  ASN  24           HB2      ASN  24 -12.341   5.835  -0.426
  183    HB3  ASN  24           HB3      ASN  24 -11.125   4.575  -0.559
  184   HD21  ASN  24          HD21      ASN  24 -12.768   3.228  -2.853
  185   HD22  ASN  24          HD22      ASN  24 -12.426   4.261  -4.186
  186    H    ALA  25           H        ALA  25 -14.473   2.319  -1.816
  187    HA   ALA  25           HA       ALA  25 -16.401   4.359  -2.648
  188    HB1  ALA  25           HB1      ALA  25 -15.315   3.046  -4.400
  189    HB2  ALA  25           HB2      ALA  25 -17.054   2.772  -4.382
  190    HB3  ALA  25           HB3      ALA  25 -15.960   1.567  -3.688
  191    H    TRP  26           H        TRP  26 -16.227   2.717  -0.084
  192    HA   TRP  26           HA       TRP  26 -18.613   1.192   0.027
  193    HB2  TRP  26           HB2      TRP  26 -18.341   1.160   2.500
  194    HB3  TRP  26           HB3      TRP  26 -16.849   0.751   1.683
  195    HD1  TRP  26           HD1      TRP  26 -15.157   3.157   1.468
  196    HE1  TRP  26           HE1      TRP  26 -14.537   4.692   3.383
  197    HE3  TRP  26           HE3      TRP  26 -19.000   2.014   4.651
  198    HZ2  TRP  26           HZ2      TRP  26 -15.534   5.348   5.971
  199    HZ3  TRP  26           HZ3      TRP  26 -19.080   3.146   6.825
  200    HH2  TRP  26           HH2      TRP  26 -17.393   4.770   7.473
  Start of MODEL    3
    1    H1   LYS   1           HT1      LYS   1 -21.041  -5.598  -2.948
    2    H2   LYS   1           HT2      LYS   1 -21.677  -4.533  -1.808
    3    H3   LYS   1           HT3      LYS   1 -21.313  -6.115  -1.384
    4    HA   LYS   1           HA       LYS   1 -19.337  -4.163  -2.339
    5    HB2  LYS   1           HB2      LYS   1 -18.530  -4.077   0.022
    6    HB3  LYS   1           HB3      LYS   1 -20.116  -3.359  -0.203
    7    HG2  LYS   1           HG2      LYS   1 -21.142  -5.396   0.675
    8    HG3  LYS   1           HG3      LYS   1 -19.535  -6.083   0.943
    9    HD2  LYS   1           HD2      LYS   1 -19.024  -4.307   2.523
   10    HD3  LYS   1           HD3      LYS   1 -20.555  -3.519   2.150
   11    HE2  LYS   1           HE2      LYS   1 -21.753  -5.456   3.036
   12    HE3  LYS   1           HE3      LYS   1 -20.218  -6.231   3.416
   13    HZ1  LYS   1           HZ1      LYS   1 -19.730  -4.464   4.969
   14    HZ2  LYS   1           HZ2      LYS   1 -21.194  -5.156   5.354
   15    HZ3  LYS   1           HZ3      LYS   1 -21.156  -3.657   4.588
   16    H    LYS   2           H        LYS   2 -17.392  -4.929  -2.697
   17    HA   LYS   2           HA       LYS   2 -16.759  -7.618  -1.746
   18    HB2  LYS   2           HB2      LYS   2 -15.622  -8.205  -3.809
   19    HB3  LYS   2           HB3      LYS   2 -17.311  -7.871  -4.115
   20    HG2  LYS   2           HG2      LYS   2 -15.093  -5.918  -4.607
   21    HG3  LYS   2           HG3      LYS   2 -15.676  -7.045  -5.836
   22    HD2  LYS   2           HD2      LYS   2 -17.239  -4.787  -4.525
   23    HD3  LYS   2           HD3      LYS   2 -16.657  -4.836  -6.179
   24    HE2  LYS   2           HE2      LYS   2 -18.785  -6.600  -4.959
   25    HE3  LYS   2           HE3      LYS   2 -19.013  -5.332  -6.142
   26    HZ1  LYS   2           HZ1      LYS   2 -17.699  -6.639  -7.730
   27    HZ2  LYS   2           HZ2      LYS   2 -19.057  -7.460  -7.171
   28    HZ3  LYS   2           HZ3      LYS   2 -17.558  -7.883  -6.582
   29    H    LYS   3           H        LYS   3 -16.044  -4.501  -1.616
   30    HA   LYS   3           HA       LYS   3 -13.215  -4.994  -0.986
   31    HB2  LYS   3           HB2      LYS   3 -14.537  -2.417  -1.879
   32    HB3  LYS   3           HB3      LYS   3 -12.858  -2.594  -1.435
   33    HG2  LYS   3           HG2      LYS   3 -14.168  -3.896  -3.816
   34    HG3  LYS   3           HG3      LYS   3 -13.211  -2.414  -3.849
   35    HD2  LYS   3           HD2      LYS   3 -11.283  -3.758  -2.956
   36    HD3  LYS   3           HD3      LYS   3 -12.282  -5.204  -3.163
   37    HE2  LYS   3           HE2      LYS   3 -12.483  -4.734  -5.547
   38    HE3  LYS   3           HE3      LYS   3 -11.534  -3.272  -5.352
   39    HZ1  LYS   3           HZ1      LYS   3 -10.176  -5.075  -6.202
   40    HZ2  LYS   3           HZ2      LYS   3 -10.603  -6.044  -4.906
   41    HZ3  LYS   3           HZ3      LYS   3  -9.655  -4.697  -4.638
   42    H    LYS   4           H        LYS   4 -12.534  -3.740   0.883
   43    HA   LYS   4           HA       LYS   4 -14.734  -2.655   2.480
   44    HB2  LYS   4           HB2      LYS   4 -13.720  -3.562   4.504
   45    HB3  LYS   4           HB3      LYS   4 -14.065  -4.858   3.375
   46    HG2  LYS   4           HG2      LYS   4 -11.640  -4.741   2.698
   47    HG3  LYS   4           HG3      LYS   4 -11.390  -3.669   4.074
   48    HD2  LYS   4           HD2      LYS   4 -12.397  -6.522   4.158
   49    HD3  LYS   4           HD3      LYS   4 -10.826  -5.952   4.693
   50    HE2  LYS   4           HE2      LYS   4 -13.481  -5.171   5.910
   51    HE3  LYS   4           HE3      LYS   4 -12.375  -6.372   6.556
   52    HZ1  LYS   4           HZ1      LYS   4 -10.726  -4.636   6.896
   53    HZ2  LYS   4           HZ2      LYS   4 -12.176  -4.295   7.670
   54    HZ3  LYS   4           HZ3      LYS   4 -11.791  -3.459   6.276
   55    H    GLN   5           H        GLN   5 -12.096  -2.018   0.761
   56    HA   GLN   5           HA       GLN   5 -11.261   0.239   2.401
   57    HB2  GLN   5           HB2      GLN   5  -9.623  -1.510   0.566
   58    HB3  GLN   5           HB3      GLN   5  -9.078  -0.011   1.299
   59    HG2  GLN   5           HG2      GLN   5  -9.226  -1.002   3.502
   60    HG3  GLN   5           HG3      GLN   5  -9.899  -2.481   2.811
   61   HE21  GLN   5          HE21      GLN   5  -7.362  -0.682   1.225
   62   HE22  GLN   5          HE22      GLN   5  -6.140  -1.863   1.450
   63    H    SER   6           H        SER   6 -11.385   2.063   1.336
   64    HA   SER   6           HA       SER   6 -12.134   2.122  -1.460
   65    HB2  SER   6           HB2      SER   6 -13.302   3.585   0.215
   66    HB3  SER   6           HB3      SER   6 -11.766   4.376   0.540
   67    HG   SER   6           HG       SER   6 -13.452   5.174  -1.162
   68    H    TRP   7           H        TRP   7 -10.989   4.153  -2.534
   69    HA   TRP   7           HA       TRP   7  -8.395   3.445  -3.210
   70    HB2  TRP   7           HB2      TRP   7  -8.212   5.683  -4.301
   71    HB3  TRP   7           HB3      TRP   7  -9.690   4.832  -4.717
   72    HD1  TRP   7           HD1      TRP   7 -12.004   5.883  -3.746
   73    HE1  TRP   7           HE1      TRP   7 -12.599   8.250  -2.950
   74    HE3  TRP   7           HE3      TRP   7  -7.291   7.735  -3.112
   75    HZ2  TRP   7           HZ2      TRP   7 -11.249  10.601  -2.163
   76    HZ3  TRP   7           HZ3      TRP   7  -7.030  10.039  -2.344
   77    HH2  TRP   7           HH2      TRP   7  -8.958  11.447  -1.873
   78    H    TYR   8           H        TYR   8  -9.458   5.736  -0.822
   79    HA   TYR   8           HA       TYR   8  -6.777   6.624  -0.280
   80    HB2  TYR   8           HB2      TYR   8  -7.788   7.927   1.615
   81    HB3  TYR   8           HB3      TYR   8  -8.492   8.269   0.049
   82    HD1  TYR   8           HD1      TYR   8  -9.071   6.692   3.313
   83    HD2  TYR   8           HD2      TYR   8 -10.799   7.748  -0.417
   84    HE1  TYR   8           HE1      TYR   8 -11.296   6.248   4.233
   85    HE2  TYR   8           HE2      TYR   8 -13.041   7.322   0.492
   86    HH   TYR   8           HH       TYR   8 -13.752   7.111   3.655
   87    H    ALA   9           H        ALA   9  -8.842   4.268   0.935
   88    HA   ALA   9           HA       ALA   9  -7.430   3.806   3.375
   89    HB1  ALA   9           HB1      ALA   9  -8.749   1.722   3.526
   90    HB2  ALA   9           HB2      ALA   9  -9.391   2.032   1.908
   91    HB3  ALA   9           HB3      ALA   9  -9.756   3.133   3.234
   92    H    ALA  10           H        ALA  10  -7.445   2.417   0.108
   93    HA   ALA  10           HA       ALA  10  -5.501   0.398   0.566
   94    HB1  ALA  10           HB1      ALA  10  -5.434   0.294  -1.861
   95    HB2  ALA  10           HB2      ALA  10  -6.364   1.798  -1.968
   96    HB3  ALA  10           HB3      ALA  10  -7.106   0.348  -1.303
   97    H    ALA  11           H        ALA  11  -5.406   3.686  -0.723
   98    HA   ALA  11           HA       ALA  11  -2.720   3.806  -1.355
   99    HB1  ALA  11           HB1      ALA  11  -4.377   5.512  -1.918
  100    HB2  ALA  11           HB2      ALA  11  -2.926   6.215  -1.194
  101    HB3  ALA  11           HB3      ALA  11  -4.402   6.038  -0.240
  102    H    GLY  12           H        GLY  12  -4.259   4.336   1.746
  103    HA2  GLY  12           HA2      GLY  12  -2.088   5.247   3.174
  104    HA3  GLY  12           HA3      GLY  12  -3.457   4.369   3.869
  105    H    ASP  13           H        ASP  13  -3.192   1.937   2.687
  106    HA   ASP  13           HA       ASP  13  -0.935   0.849   4.139
  107    HB2  ASP  13           HB2      ASP  13  -3.086  -0.400   3.996
  108    HB3  ASP  13           HB3      ASP  13  -2.840  -0.555   2.269
  109    H    ALA  14           H        ALA  14  -1.934   1.069   0.900
  110    HA   ALA  14           HA       ALA  14  -0.048  -0.470  -0.392
  111    HB1  ALA  14           HB1      ALA  14  -1.339   1.968  -1.604
  112    HB2  ALA  14           HB2      ALA  14  -2.226   0.530  -1.253
  113    HB3  ALA  14           HB3      ALA  14  -0.885   0.461  -2.425
  114    H    ILE  15           H        ILE  15   0.126   2.977   0.303
  115    HA   ILE  15           HA       ILE  15   2.611   3.268  -1.116
  116    HB   ILE  15           HB       ILE  15   1.187   5.174   0.743
  117   HG12  ILE  15          HG12      ILE  15   1.426   5.207  -2.267
  118   HG13  ILE  15          HG13      ILE  15   0.060   4.528  -1.389
  119   HG21  ILE  15          HG21      ILE  15   3.594   5.680   0.694
  120   HG22  ILE  15          HG22      ILE  15   2.675   6.924  -0.144
  121   HG23  ILE  15          HG23      ILE  15   3.566   5.716  -1.067
  122   HD11  ILE  15          HD11      ILE  15  -0.407   6.640  -0.432
  123   HD12  ILE  15          HD12      ILE  15  -0.372   6.739  -2.216
  124   HD13  ILE  15          HD13      ILE  15   0.990   7.354  -1.253
  125    H    VAL  16           H        VAL  16   1.671   2.942   2.167
  126    HA   VAL  16           HA       VAL  16   4.258   3.262   3.297
  127    HB   VAL  16           HB       VAL  16   1.899   1.680   4.366
  128   HG11  VAL  16          HG11      VAL  16   3.969   0.924   5.380
  129   HG12  VAL  16          HG12      VAL  16   2.997   1.809   6.555
  130   HG13  VAL  16          HG13      VAL  16   4.401   2.578   5.814
  131   HG21  VAL  16          HG21      VAL  16   1.557   3.666   5.807
  132   HG22  VAL  16          HG22      VAL  16   1.353   3.997   4.100
  133   HG23  VAL  16          HG23      VAL  16   2.834   4.507   4.920
  134    H    SER  17           H        SER  17   2.506   0.505   2.178
  135    HA   SER  17           HA       SER  17   4.498  -1.421   2.796
  136    HB2  SER  17           HB2      SER  17   2.166  -1.531   0.872
  137    HB3  SER  17           HB3      SER  17   3.111  -2.921   1.426
  138    HG   SER  17           HG       SER  17   0.979  -2.007   2.591
  139    H    PHE  18           H        PHE  18   3.967   0.758   0.171
  140    HA   PHE  18           HA       PHE  18   5.640  -0.427  -1.776
  141    HB2  PHE  18           HB2      PHE  18   3.876   1.523  -1.882
  142    HB3  PHE  18           HB3      PHE  18   5.232   2.535  -1.445
  143    HD1  PHE  18           HD1      PHE  18   7.435   1.869  -2.967
  144    HD2  PHE  18           HD2      PHE  18   3.348   1.570  -4.064
  145    HE1  PHE  18           HE1      PHE  18   8.079   2.023  -5.345
  146    HE2  PHE  18           HE2      PHE  18   3.974   1.703  -6.453
  147    HZ   PHE  18           HZ       PHE  18   6.346   1.929  -7.088
  148    H    GLY  19           H        GLY  19   6.034   1.974   0.787
  149    HA2  GLY  19           HA2      GLY  19   8.766   2.583   0.406
  150    HA3  GLY  19           HA3      GLY  19   7.862   2.805   1.902
  151    H    GLU  20           H        GLU  20   7.168   0.253   2.522
  152    HA   GLU  20           HA       GLU  20   9.517  -0.825   3.657
  153    HB2  GLU  20           HB2      GLU  20   6.826  -2.129   3.201
  154    HB3  GLU  20           HB3      GLU  20   8.068  -2.745   4.276
  155    HG2  GLU  20           HG2      GLU  20   6.633  -0.113   4.598
  156    HG3  GLU  20           HG3      GLU  20   6.264  -1.593   5.473
  157    H    GLY  21           H        GLY  21   7.842  -1.406   0.761
  158    HA2  GLY  21           HA2      GLY  21   9.164  -3.809  -0.003
  159    HA3  GLY  21           HA3      GLY  21   8.220  -2.779  -1.073
  160    H    PHE  22           H        PHE  22   9.905  -0.468  -0.321
  161    HA   PHE  22           HA       PHE  22  11.821  -0.499  -2.370
  162    HB2  PHE  22           HB2      PHE  22  11.054   1.593  -1.642
  163    HB3  PHE  22           HB3      PHE  22  11.368   1.225   0.044
  164    HD1  PHE  22           HD1      PHE  22  12.978   2.077  -3.171
  165    HD2  PHE  22           HD2      PHE  22  13.410   1.777   1.046
  166    HE1  PHE  22           HE1      PHE  22  15.117   3.306  -3.294
  167    HE2  PHE  22           HE2      PHE  22  15.528   2.982   0.942
  168    HZ   PHE  22           HZ       PHE  22  16.393   3.756  -1.231
  169    H    LEU  23           H        LEU  23  11.979  -1.546   0.880
  170    HA   LEU  23           HA       LEU  23  14.802  -1.575   1.155
  171    HB2  LEU  23           HB2      LEU  23  12.688  -3.049   2.709
  172    HB3  LEU  23           HB3      LEU  23  14.375  -2.909   3.171
  173    HG   LEU  23           HG       LEU  23  12.420  -0.623   2.956
  174   HD11  LEU  23          HD11      LEU  23  11.966  -2.038   4.854
  175   HD12  LEU  23          HD12      LEU  23  12.669  -0.495   5.368
  176   HD13  LEU  23          HD13      LEU  23  13.666  -1.950   5.333
  177   HD21  LEU  23          HD21      LEU  23  14.680   0.102   2.390
  178   HD22  LEU  23          HD22      LEU  23  15.297  -0.672   3.851
  179   HD23  LEU  23          HD23      LEU  23  14.181   0.695   3.975
  180    H    ASN  24           H        ASN  24  12.808  -3.496  -0.694
  181    HA   ASN  24           HA       ASN  24  13.852  -6.078  -0.477
  182    HB2  ASN  24           HB2      ASN  24  12.937  -6.566  -2.603
  183    HB3  ASN  24           HB3      ASN  24  11.865  -5.410  -1.839
  184   HD21  ASN  24          HD21      ASN  24  13.663  -3.064  -2.543
  185   HD22  ASN  24          HD22      ASN  24  13.429  -2.844  -4.231
  186    H    ALA  25           H        ALA  25  15.522  -3.375  -1.425
  187    HA   ALA  25           HA       ALA  25  17.273  -4.657  -3.338
  188    HB1  ALA  25           HB1      ALA  25  18.356  -2.474  -3.457
  189    HB2  ALA  25           HB2      ALA  25  17.338  -1.891  -2.139
  190    HB3  ALA  25           HB3      ALA  25  16.611  -2.334  -3.685
  191    H    TRP  26           H        TRP  26  17.007  -4.453   0.007
  192    HA   TRP  26           HA       TRP  26  19.832  -5.088   0.326
  193    HB2  TRP  26           HB2      TRP  26  18.179  -3.288   2.134
  194    HB3  TRP  26           HB3      TRP  26  19.807  -3.853   2.491
  195    HD1  TRP  26           HD1      TRP  26  17.915  -1.395   0.224
  196    HE1  TRP  26           HE1      TRP  26  19.603   0.312  -0.739
  197    HE3  TRP  26           HE3      TRP  26  22.265  -3.487   1.918
  198    HZ2  TRP  26           HZ2      TRP  26  22.368   0.712  -0.774
  199    HZ3  TRP  26           HZ3      TRP  26  24.390  -2.371   1.377
  200    HH2  TRP  26           HH2      TRP  26  24.439  -0.316   0.063
  Start of MODEL    4
    1    H1   LYS   1           HT1      LYS   1 -20.583   2.881   4.152
    2    H2   LYS   1           HT2      LYS   1 -19.156   3.800   4.308
    3    H3   LYS   1           HT3      LYS   1 -19.178   2.438   3.352
    4    HA   LYS   1           HA       LYS   1 -20.466   3.282   1.774
    5    HB2  LYS   1           HB2      LYS   1 -21.325   5.664   1.852
    6    HB3  LYS   1           HB3      LYS   1 -22.125   4.531   2.927
    7    HG2  LYS   1           HG2      LYS   1 -20.792   5.443   4.807
    8    HG3  LYS   1           HG3      LYS   1 -20.070   6.592   3.684
    9    HD2  LYS   1           HD2      LYS   1 -22.243   7.550   3.210
   10    HD3  LYS   1           HD3      LYS   1 -23.026   6.370   4.251
   11    HE2  LYS   1           HE2      LYS   1 -21.752   7.286   6.175
   12    HE3  LYS   1           HE3      LYS   1 -21.054   8.494   5.103
   13    HZ1  LYS   1           HZ1      LYS   1 -23.943   8.207   5.760
   14    HZ2  LYS   1           HZ2      LYS   1 -23.326   9.325   4.685
   15    HZ3  LYS   1           HZ3      LYS   1 -22.920   9.416   6.306
   16    H    LYS   2           H        LYS   2 -18.361   5.749   3.399
   17    HA   LYS   2           HA       LYS   2 -17.030   5.847   0.842
   18    HB2  LYS   2           HB2      LYS   2 -17.578   8.043   1.751
   19    HB3  LYS   2           HB3      LYS   2 -16.733   7.665   3.239
   20    HG2  LYS   2           HG2      LYS   2 -15.417   9.153   1.799
   21    HG3  LYS   2           HG3      LYS   2 -14.614   7.597   2.054
   22    HD2  LYS   2           HD2      LYS   2 -15.429   6.842  -0.146
   23    HD3  LYS   2           HD3      LYS   2 -16.183   8.426  -0.381
   24    HE2  LYS   2           HE2      LYS   2 -14.016   9.501  -0.290
   25    HE3  LYS   2           HE3      LYS   2 -13.232   7.961   0.044
   26    HZ1  LYS   2           HZ1      LYS   2 -13.031   8.558  -2.304
   27    HZ2  LYS   2           HZ2      LYS   2 -14.692   8.649  -2.457
   28    HZ3  LYS   2           HZ3      LYS   2 -13.958   7.179  -2.138
   29    H    LYS   3           H        LYS   3 -15.937   4.059   0.776
   30    HA   LYS   3           HA       LYS   3 -14.015   3.526   2.833
   31    HB2  LYS   3           HB2      LYS   3 -13.399   1.561   1.318
   32    HB3  LYS   3           HB3      LYS   3 -15.005   1.525   2.022
   33    HG2  LYS   3           HG2      LYS   3 -15.900   2.361  -0.142
   34    HG3  LYS   3           HG3      LYS   3 -14.264   2.251  -0.802
   35    HD2  LYS   3           HD2      LYS   3 -14.218  -0.138  -0.383
   36    HD3  LYS   3           HD3      LYS   3 -15.784  -0.051   0.417
   37    HE2  LYS   3           HE2      LYS   3 -16.053  -0.899  -1.844
   38    HE3  LYS   3           HE3      LYS   3 -16.815   0.680  -1.677
   39    HZ1  LYS   3           HZ1      LYS   3 -14.165   0.183  -2.944
   40    HZ2  LYS   3           HZ2      LYS   3 -14.903   1.680  -2.752
   41    HZ3  LYS   3           HZ3      LYS   3 -15.621   0.523  -3.719
   42    H    LYS   4           H        LYS   4 -12.030   4.168   2.757
   43    HA   LYS   4           HA       LYS   4 -11.295   5.997   0.647
   44    HB2  LYS   4           HB2      LYS   4  -9.259   6.441   2.014
   45    HB3  LYS   4           HB3      LYS   4 -10.753   6.684   2.900
   46    HG2  LYS   4           HG2      LYS   4 -10.444   4.421   3.902
   47    HG3  LYS   4           HG3      LYS   4  -8.874   4.333   3.114
   48    HD2  LYS   4           HD2      LYS   4  -9.731   6.428   5.101
   49    HD3  LYS   4           HD3      LYS   4  -8.736   5.022   5.454
   50    HE2  LYS   4           HE2      LYS   4  -7.041   5.816   3.908
   51    HE3  LYS   4           HE3      LYS   4  -8.019   7.231   3.534
   52    HZ1  LYS   4           HZ1      LYS   4  -6.303   7.686   5.157
   53    HZ2  LYS   4           HZ2      LYS   4  -6.964   6.548   6.217
   54    HZ3  LYS   4           HZ3      LYS   4  -7.831   7.940   5.807
   55    H    GLN   5           H        GLN   5 -10.128   2.962   1.856
   56    HA   GLN   5           HA       GLN   5  -9.100   2.272  -0.733
   57    HB2  GLN   5           HB2      GLN   5  -7.311   2.265   1.738
   58    HB3  GLN   5           HB3      GLN   5  -6.916   1.451   0.240
   59    HG2  GLN   5           HG2      GLN   5  -6.876   3.560  -0.923
   60    HG3  GLN   5           HG3      GLN   5  -7.290   4.426   0.555
   61   HE21  GLN   5          HE21      GLN   5  -4.979   1.737   0.208
   62   HE22  GLN   5          HE22      GLN   5  -3.602   2.698   0.595
   63    H    SER   6           H        SER   6  -9.506   0.150  -1.058
   64    HA   SER   6           HA       SER   6 -10.888  -1.345   0.881
   65    HB2  SER   6           HB2      SER   6  -9.533  -2.345  -1.627
   66    HB3  SER   6           HB3      SER   6 -11.006  -2.952  -0.852
   67    HG   SER   6           HG       SER   6 -11.967  -1.642  -2.255
   68    H    TRP   7           H        TRP   7 -10.033  -3.636   1.419
   69    HA   TRP   7           HA       TRP   7  -7.775  -3.448   3.001
   70    HB2  TRP   7           HB2      TRP   7  -7.861  -5.962   3.174
   71    HB3  TRP   7           HB3      TRP   7  -9.401  -5.167   3.472
   72    HD1  TRP   7           HD1      TRP   7 -11.337  -5.555   1.658
   73    HE1  TRP   7           HE1      TRP   7 -11.649  -7.358  -0.156
   74    HE3  TRP   7           HE3      TRP   7  -6.602  -7.451   1.561
   75    HZ2  TRP   7           HZ2      TRP   7 -10.108  -9.320  -1.438
   76    HZ3  TRP   7           HZ3      TRP   7  -6.110  -9.284   0.021
   77    HH2  TRP   7           HH2      TRP   7  -7.820 -10.200  -1.449
   78    H    TYR   8           H        TYR   8  -8.026  -4.732  -0.228
   79    HA   TYR   8           HA       TYR   8  -5.264  -5.476  -0.396
   80    HB2  TYR   8           HB2      TYR   8  -5.690  -5.843  -2.825
   81    HB3  TYR   8           HB3      TYR   8  -6.852  -6.666  -1.804
   82    HD1  TYR   8           HD1      TYR   8  -9.194  -6.105  -1.892
   83    HD2  TYR   8           HD2      TYR   8  -6.365  -3.813  -4.097
   84    HE1  TYR   8           HE1      TYR   8 -11.036  -5.000  -3.136
   85    HE2  TYR   8           HE2      TYR   8  -8.182  -2.726  -5.325
   86    HH   TYR   8           HH       TYR   8 -10.436  -3.080  -5.900
   87    H    ALA   9           H        ALA   9  -6.991  -2.654  -0.944
   88    HA   ALA   9           HA       ALA   9  -5.082  -1.327  -2.642
   89    HB1  ALA   9           HB1      ALA   9  -7.361  -0.233  -1.005
   90    HB2  ALA   9           HB2      ALA   9  -7.390  -0.590  -2.740
   91    HB3  ALA   9           HB3      ALA   9  -6.400   0.726  -2.115
   92    H    ALA  10           H        ALA  10  -5.801  -1.442   0.836
   93    HA   ALA  10           HA       ALA  10  -3.846   0.465   1.499
   94    HB1  ALA  10           HB1      ALA  10  -5.788   0.014   2.956
   95    HB2  ALA  10           HB2      ALA  10  -4.258  -0.276   3.786
   96    HB3  ALA  10           HB3      ALA  10  -5.205  -1.635   3.189
   97    H    ALA  11           H        ALA  11  -4.130  -3.058   1.725
   98    HA   ALA  11           HA       ALA  11  -1.543  -3.582   2.679
   99    HB1  ALA  11           HB1      ALA  11  -3.175  -5.325   0.843
  100    HB2  ALA  11           HB2      ALA  11  -3.355  -5.255   2.597
  101    HB3  ALA  11           HB3      ALA  11  -1.851  -5.827   1.888
  102    H    GLY  12           H        GLY  12  -2.629  -3.428  -0.665
  103    HA2  GLY  12           HA2      GLY  12  -0.155  -4.044  -1.801
  104    HA3  GLY  12           HA3      GLY  12  -1.447  -3.143  -2.583
  105    H    ASP  13           H        ASP  13  -1.651  -0.875  -1.297
  106    HA   ASP  13           HA       ASP  13   0.528   0.632  -2.257
  107    HB2  ASP  13           HB2      ASP  13  -1.751   1.566  -2.042
  108    HB3  ASP  13           HB3      ASP  13  -1.598   1.466  -0.297
  109    H    ALA  14           H        ALA  14  -0.447  -0.209   0.893
  110    HA   ALA  14           HA       ALA  14   1.439   1.233   2.362
  111    HB1  ALA  14           HB1      ALA  14  -0.636   0.210   3.262
  112    HB2  ALA  14           HB2      ALA  14   0.786  -0.176   4.246
  113    HB3  ALA  14           HB3      ALA  14   0.108  -1.358   3.111
  114    H    ILE  15           H        ILE  15   1.543  -2.103   1.159
  115    HA   ILE  15           HA       ILE  15   4.090  -2.590   2.366
  116    HB   ILE  15           HB       ILE  15   2.542  -4.224   0.337
  117   HG12  ILE  15          HG12      ILE  15   3.016  -4.689   3.270
  118   HG13  ILE  15          HG13      ILE  15   1.552  -3.961   2.616
  119   HG21  ILE  15          HG21      ILE  15   5.017  -4.977   1.883
  120   HG22  ILE  15          HG22      ILE  15   4.921  -4.742   0.128
  121   HG23  ILE  15          HG23      ILE  15   4.040  -6.065   0.900
  122   HD11  ILE  15          HD11      ILE  15   1.205  -6.297   3.087
  123   HD12  ILE  15          HD12      ILE  15   2.585  -6.724   2.056
  124   HD13  ILE  15          HD13      ILE  15   1.144  -5.990   1.343
  125    H    VAL  16           H        VAL  16   3.000  -1.918  -0.842
  126    HA   VAL  16           HA       VAL  16   5.543  -2.049  -2.064
  127    HB   VAL  16           HB       VAL  16   3.126  -0.426  -2.940
  128   HG11  VAL  16          HG11      VAL  16   5.653  -1.020  -4.482
  129   HG12  VAL  16          HG12      VAL  16   5.151   0.556  -3.873
  130   HG13  VAL  16          HG13      VAL  16   4.204  -0.244  -5.128
  131   HG21  VAL  16          HG21      VAL  16   4.223  -3.057  -3.944
  132   HG22  VAL  16          HG22      VAL  16   2.829  -2.202  -4.594
  133   HG23  VAL  16          HG23      VAL  16   2.783  -2.836  -2.952
  134    H    SER  17           H        SER  17   3.909   0.601  -0.530
  135    HA   SER  17           HA       SER  17   5.933   2.500  -1.164
  136    HB2  SER  17           HB2      SER  17   3.754   2.552   0.919
  137    HB3  SER  17           HB3      SER  17   4.782   3.929   0.487
  138    HG   SER  17           HG       SER  17   2.604   2.880  -0.795
  139    H    PHE  18           H        PHE  18   5.382   0.254   1.416
  140    HA   PHE  18           HA       PHE  18   7.286   1.214   3.265
  141    HB2  PHE  18           HB2      PHE  18   5.374  -0.541   3.454
  142    HB3  PHE  18           HB3      PHE  18   6.547  -1.671   2.815
  143    HD1  PHE  18           HD1      PHE  18   5.011  -1.536   5.498
  144    HD2  PHE  18           HD2      PHE  18   8.954  -0.519   4.336
  145    HE1  PHE  18           HE1      PHE  18   5.783  -1.919   7.803
  146    HE2  PHE  18           HE2      PHE  18   9.739  -0.895   6.640
  147    HZ   PHE  18           HZ       PHE  18   8.163  -1.588   8.366
  148    H    GLY  19           H        GLY  19   7.317  -1.211   0.681
  149    HA2  GLY  19           HA2      GLY  19  10.004  -1.983   0.915
  150    HA3  GLY  19           HA3      GLY  19   9.017  -2.187  -0.518
  151    H    GLU  20           H        GLU  20   8.456   0.428  -1.176
  152    HA   GLU  20           HA       GLU  20  10.805   1.235  -2.480
  153    HB2  GLU  20           HB2      GLU  20   8.262   2.748  -1.906
  154    HB3  GLU  20           HB3      GLU  20   9.508   3.364  -2.970
  155    HG2  GLU  20           HG2      GLU  20   7.909   0.840  -3.377
  156    HG3  GLU  20           HG3      GLU  20   7.662   2.370  -4.214
  157    H    GLY  21           H        GLY  21   9.344   2.189   0.446
  158    HA2  GLY  21           HA2      GLY  21  10.993   4.391   1.101
  159    HA3  GLY  21           HA3      GLY  21  10.047   3.453   2.255
  160    H    PHE  22           H        PHE  22  11.380   0.993   1.451
  161    HA   PHE  22           HA       PHE  22  13.824   1.234   2.906
  162    HB2  PHE  22           HB2      PHE  22  12.559  -0.765   3.261
  163    HB3  PHE  22           HB3      PHE  22  12.504  -1.107   1.540
  164    HD1  PHE  22           HD1      PHE  22  13.719  -2.929   0.982
  165    HD2  PHE  22           HD2      PHE  22  15.215  -0.287   3.938
  166    HE1  PHE  22           HE1      PHE  22  15.738  -4.310   1.151
  167    HE2  PHE  22           HE2      PHE  22  17.265  -1.670   4.147
  168    HZ   PHE  22           HZ       PHE  22  17.525  -3.685   2.747
  169    H    LEU  23           H        LEU  23  12.939   0.388  -0.401
  170    HA   LEU  23           HA       LEU  23  15.443  -0.282  -1.372
  171    HB2  LEU  23           HB2      LEU  23  13.140   0.824  -2.939
  172    HB3  LEU  23           HB3      LEU  23  14.505  -0.057  -3.605
  173    HG   LEU  23           HG       LEU  23  12.386  -1.137  -1.764
  174   HD11  LEU  23          HD11      LEU  23  11.660  -0.926  -4.050
  175   HD12  LEU  23          HD12      LEU  23  11.858  -2.619  -3.594
  176   HD13  LEU  23          HD13      LEU  23  13.079  -1.830  -4.599
  177   HD21  LEU  23          HD21      LEU  23  14.496  -2.112  -1.153
  178   HD22  LEU  23          HD22      LEU  23  14.837  -2.520  -2.832
  179   HD23  LEU  23          HD23      LEU  23  13.496  -3.302  -1.986
  180    H    ASN  24           H        ASN  24  14.090   2.873  -1.137
  181    HA   ASN  24           HA       ASN  24  15.957   4.253  -2.798
  182    HB2  ASN  24           HB2      ASN  24  15.159   6.262  -1.817
  183    HB3  ASN  24           HB3      ASN  24  13.791   5.165  -1.989
  184   HD21  ASN  24          HD21      ASN  24  14.818   3.632   0.540
  185   HD22  ASN  24          HD22      ASN  24  14.240   4.634   1.790
  186    H    ALA  25           H        ALA  25  16.602   2.614  -0.035
  187    HA   ALA  25           HA       ALA  25  18.706   4.421   0.915
  188    HB1  ALA  25           HB1      ALA  25  18.639   3.104   2.971
  189    HB2  ALA  25           HB2      ALA  25  17.390   2.074   2.259
  190    HB3  ALA  25           HB3      ALA  25  17.047   3.776   2.587
  191    H    TRP  26           H        TRP  26  18.687   2.629  -1.388
  192    HA   TRP  26           HA       TRP  26  20.162   0.322  -1.032
  193    HB2  TRP  26           HB2      TRP  26  20.776   0.569  -3.453
  194    HB3  TRP  26           HB3      TRP  26  19.059   0.677  -3.090
  195    HD1  TRP  26           HD1      TRP  26  17.898   3.074  -3.406
  196    HE1  TRP  26           HE1      TRP  26  18.518   5.093  -4.847
  197    HE3  TRP  26           HE3      TRP  26  22.775   1.901  -4.329
  198    HZ2  TRP  26           HZ2      TRP  26  20.809   6.074  -6.216
  199    HZ3  TRP  26           HZ3      TRP  26  24.117   3.419  -5.712
  200    HH2  TRP  26           HH2      TRP  26  23.155   5.470  -6.632
  Start of MODEL    5
    1    H1   LYS   1           HT1      LYS   1  18.291  10.504  -1.840
    2    H2   LYS   1           HT2      LYS   1  19.651   9.500  -1.792
    3    H3   LYS   1           HT3      LYS   1  18.810   9.889  -0.379
    4    HA   LYS   1           HA       LYS   1  17.693   8.409  -2.647
    5    HB2  LYS   1           HB2      LYS   1  18.664   7.435   0.039
    6    HB3  LYS   1           HB3      LYS   1  17.684   6.481  -1.073
    7    HG2  LYS   1           HG2      LYS   1  19.473   6.616  -2.742
    8    HG3  LYS   1           HG3      LYS   1  20.440   7.572  -1.629
    9    HD2  LYS   1           HD2      LYS   1  20.505   5.739  -0.064
   10    HD3  LYS   1           HD3      LYS   1  19.439   4.783  -1.094
   11    HE2  LYS   1           HE2      LYS   1  21.130   4.847  -2.875
   12    HE3  LYS   1           HE3      LYS   1  22.195   5.770  -1.818
   13    HZ1  LYS   1           HZ1      LYS   1  21.210   3.029  -1.307
   14    HZ2  LYS   1           HZ2      LYS   1  22.270   3.905  -0.311
   15    HZ3  LYS   1           HZ3      LYS   1  22.737   3.442  -1.858
   16    H    LYS   2           H        LYS   2  15.606   7.939  -2.500
   17    HA   LYS   2           HA       LYS   2  14.066   9.264  -0.373
   18    HB2  LYS   2           HB2      LYS   2  12.255   9.375  -2.057
   19    HB3  LYS   2           HB3      LYS   2  13.700  10.231  -2.579
   20    HG2  LYS   2           HG2      LYS   2  14.338   8.283  -3.946
   21    HG3  LYS   2           HG3      LYS   2  12.854   7.480  -3.442
   22    HD2  LYS   2           HD2      LYS   2  11.527   9.225  -4.485
   23    HD3  LYS   2           HD3      LYS   2  12.998  10.081  -4.956
   24    HE2  LYS   2           HE2      LYS   2  13.676   8.132  -6.291
   25    HE3  LYS   2           HE3      LYS   2  12.180   7.316  -5.840
   26    HZ1  LYS   2           HZ1      LYS   2  10.948   9.074  -6.927
   27    HZ2  LYS   2           HZ2      LYS   2  12.021   8.333  -7.993
   28    HZ3  LYS   2           HZ3      LYS   2  12.384   9.837  -7.370
   29    H    LYS   3           H        LYS   3  15.098   6.379  -1.411
   30    HA   LYS   3           HA       LYS   3  12.665   4.892  -0.940
   31    HB2  LYS   3           HB2      LYS   3  14.190   4.267  -2.728
   32    HB3  LYS   3           HB3      LYS   3  15.442   3.892  -1.545
   33    HG2  LYS   3           HG2      LYS   3  14.098   2.082  -0.656
   34    HG3  LYS   3           HG3      LYS   3  12.774   2.504  -1.745
   35    HD2  LYS   3           HD2      LYS   3  15.515   1.572  -2.586
   36    HD3  LYS   3           HD3      LYS   3  14.051   0.587  -2.578
   37    HE2  LYS   3           HE2      LYS   3  13.017   2.149  -4.199
   38    HE3  LYS   3           HE3      LYS   3  14.498   3.083  -4.224
   39    HZ1  LYS   3           HZ1      LYS   3  14.203   0.276  -5.144
   40    HZ2  LYS   3           HZ2      LYS   3  15.653   1.133  -5.080
   41    HZ3  LYS   3           HZ3      LYS   3  14.432   1.644  -6.091
   42    H    LYS   4           H        LYS   4  12.071   4.640   1.004
   43    HA   LYS   4           HA       LYS   4  14.005   4.472   3.193
   44    HB2  LYS   4           HB2      LYS   4  12.023   4.958   4.626
   45    HB3  LYS   4           HB3      LYS   4  12.447   6.254   3.515
   46    HG2  LYS   4           HG2      LYS   4  10.630   5.582   2.040
   47    HG3  LYS   4           HG3      LYS   4  10.223   4.245   3.116
   48    HD2  LYS   4           HD2      LYS   4  10.145   7.174   3.855
   49    HD3  LYS   4           HD3      LYS   4   8.740   6.215   3.384
   50    HE2  LYS   4           HE2      LYS   4   9.124   4.748   5.331
   51    HE3  LYS   4           HE3      LYS   4  10.528   5.729   5.755
   52    HZ1  LYS   4           HZ1      LYS   4   7.737   6.721   5.647
   53    HZ2  LYS   4           HZ2      LYS   4   9.097   7.605   6.072
   54    HZ3  LYS   4           HZ3      LYS   4   8.584   6.328   7.040
   55    H    GLN   5           H        GLN   5  11.667   2.621   1.450
   56    HA   GLN   5           HA       GLN   5  11.930   0.526   3.408
   57    HB2  GLN   5           HB2      GLN   5   9.429   1.411   1.981
   58    HB3  GLN   5           HB3      GLN   5   9.580  -0.160   2.750
   59    HG2  GLN   5           HG2      GLN   5   9.914   0.823   4.865
   60    HG3  GLN   5           HG3      GLN   5   9.939   2.457   4.202
   61   HE21  GLN   5          HE21      GLN   5   7.711  -0.151   3.322
   62   HE22  GLN   5          HE22      GLN   5   6.310   0.584   3.979
   63    H    SER   6           H        SER   6  12.235  -1.376   2.618
   64    HA   SER   6           HA       SER   6  13.259  -1.731  -0.012
   65    HB2  SER   6           HB2      SER   6  12.427  -3.815   1.998
   66    HB3  SER   6           HB3      SER   6  13.601  -4.027   0.698
   67    HG   SER   6           HG       SER   6  15.006  -3.396   2.137
   68    H    TRP   7           H        TRP   7  12.431  -3.497  -1.506
   69    HA   TRP   7           HA       TRP   7   9.937  -2.812  -2.497
   70    HB2  TRP   7           HB2      TRP   7  10.079  -4.791  -3.976
   71    HB3  TRP   7           HB3      TRP   7  11.578  -3.872  -3.945
   72    HD1  TRP   7           HD1      TRP   7  13.721  -5.083  -2.902
   73    HE1  TRP   7           HE1      TRP   7  14.256  -7.540  -2.410
   74    HE3  TRP   7           HE3      TRP   7   9.020  -7.025  -3.232
   75    HZ2  TRP   7           HZ2      TRP   7  12.891  -9.988  -2.196
   76    HZ3  TRP   7           HZ3      TRP   7   8.716  -9.450  -2.873
   77    HH2  TRP   7           HH2      TRP   7  10.616 -10.897  -2.372
   78    H    TYR   8           H        TYR   8  10.701  -5.492  -0.425
   79    HA   TYR   8           HA       TYR   8   8.043  -6.518  -0.497
   80    HB2  TYR   8           HB2      TYR   8   8.786  -8.023   1.368
   81    HB3  TYR   8           HB3      TYR   8   9.769  -8.110  -0.084
   82    HD1  TYR   8           HD1      TYR   8  12.054  -7.357  -0.069
   83    HD2  TYR   8           HD2      TYR   8   9.676  -7.020   3.427
   84    HE1  TYR   8           HE1      TYR   8  14.074  -6.910   1.250
   85    HE2  TYR   8           HE2      TYR   8  11.678  -6.569   4.762
   86    HH   TYR   8           HH       TYR   8  14.034  -6.961   4.651
   87    H    ALA   9           H        ALA   9   9.655  -4.268   1.410
   88    HA   ALA   9           HA       ALA   9   7.833  -4.258   3.620
   89    HB1  ALA   9           HB1      ALA   9   8.978  -2.128   4.231
   90    HB2  ALA   9           HB2      ALA   9   9.887  -2.240   2.724
   91    HB3  ALA   9           HB3      ALA   9  10.088  -3.470   3.966
   92    H    ALA  10           H        ALA  10   8.337  -2.349   0.668
   93    HA   ALA  10           HA       ALA  10   6.175  -0.591   1.063
   94    HB1  ALA  10           HB1      ALA  10   8.043  -0.107  -0.451
   95    HB2  ALA  10           HB2      ALA  10   6.484  -0.091  -1.287
   96    HB3  ALA  10           HB3      ALA  10   7.566  -1.469  -1.467
   97    H    ALA  11           H        ALA  11   6.597  -3.588  -0.769
   98    HA   ALA  11           HA       ALA  11   4.083  -3.775  -1.902
   99    HB1  ALA  11           HB1      ALA  11   4.458  -6.155  -2.071
  100    HB2  ALA  11           HB2      ALA  11   5.718  -6.080  -0.846
  101    HB3  ALA  11           HB3      ALA  11   5.959  -5.296  -2.404
  102    H    GLY  12           H        GLY  12   5.074  -4.870   1.296
  103    HA2  GLY  12           HA2      GLY  12   2.702  -6.113   2.040
  104    HA3  GLY  12           HA3      GLY  12   3.840  -5.383   3.164
  105    H    ASP  13           H        ASP  13   3.690  -2.758   2.446
  106    HA   ASP  13           HA       ASP  13   1.160  -2.021   3.633
  107    HB2  ASP  13           HB2      ASP  13   3.289  -0.814   4.186
  108    HB3  ASP  13           HB3      ASP  13   3.325  -0.226   2.538
  109    H    ALA  14           H        ALA  14   2.718  -1.492   0.642
  110    HA   ALA  14           HA       ALA  14   0.901   0.230  -0.576
  111    HB1  ALA  14           HB1      ALA  14   2.154  -0.139  -2.615
  112    HB2  ALA  14           HB2      ALA  14   2.794  -1.655  -1.953
  113    HB3  ALA  14           HB3      ALA  14   3.281  -0.149  -1.242
  114    H    ILE  15           H        ILE  15   1.045  -3.306  -0.687
  115    HA   ILE  15           HA       ILE  15  -1.024  -3.474  -2.669
  116    HB   ILE  15           HB       ILE  15   0.118  -5.597  -0.842
  117   HG12  ILE  15          HG12      ILE  15   0.495  -5.126  -3.798
  118   HG13  ILE  15          HG13      ILE  15   1.635  -4.646  -2.542
  119   HG21  ILE  15          HG21      ILE  15  -1.001  -7.257  -2.260
  120   HG22  ILE  15          HG22      ILE  15  -1.787  -5.962  -3.166
  121   HG23  ILE  15          HG23      ILE  15  -2.178  -6.210  -1.466
  122   HD11  ILE  15          HD11      ILE  15   1.895  -6.949  -1.911
  123   HD12  ILE  15          HD12      ILE  15   2.311  -6.699  -3.625
  124   HD13  ILE  15          HD13      ILE  15   0.764  -7.437  -3.174
  125    H    VAL  16           H        VAL  16  -0.891  -3.773   0.744
  126    HA   VAL  16           HA       VAL  16  -3.632  -4.358   1.110
  127    HB   VAL  16           HB       VAL  16  -1.786  -2.951   3.061
  128   HG11  VAL  16          HG11      VAL  16  -4.151  -2.625   3.626
  129   HG12  VAL  16          HG12      VAL  16  -3.341  -3.661   4.796
  130   HG13  VAL  16          HG13      VAL  16  -4.409  -4.370   3.578
  131   HG21  VAL  16          HG21      VAL  16  -2.464  -5.875   2.717
  132   HG22  VAL  16          HG22      VAL  16  -1.569  -5.197   4.080
  133   HG23  VAL  16          HG23      VAL  16  -0.893  -5.098   2.464
  134    H    SER  17           H        SER  17  -1.895  -1.382   0.957
  135    HA   SER  17           HA       SER  17  -4.133   0.309   1.452
  136    HB2  SER  17           HB2      SER  17  -1.778   1.062   1.782
  137    HB3  SER  17           HB3      SER  17  -1.528   0.988   0.043
  138    HG   SER  17           HG       SER  17  -2.136   3.109   1.105
  139    H    PHE  18           H        PHE  18  -2.770  -1.154  -1.358
  140    HA   PHE  18           HA       PHE  18  -4.103   0.224  -3.415
  141    HB2  PHE  18           HB2      PHE  18  -2.192  -1.547  -3.436
  142    HB3  PHE  18           HB3      PHE  18  -3.484  -2.715  -3.403
  143    HD1  PHE  18           HD1      PHE  18  -5.414  -1.929  -5.310
  144    HD2  PHE  18           HD2      PHE  18  -1.218  -1.398  -5.421
  145    HE1  PHE  18           HE1      PHE  18  -5.501  -1.895  -7.772
  146    HE2  PHE  18           HE2      PHE  18  -1.276  -1.353  -7.878
  147    HZ   PHE  18           HZ       PHE  18  -3.430  -1.609  -9.066
  148    H    GLY  19           H        GLY  19  -4.910  -2.674  -1.558
  149    HA2  GLY  19           HA2      GLY  19  -7.400  -3.192  -2.780
  150    HA3  GLY  19           HA3      GLY  19  -6.876  -3.783  -1.203
  151    H    GLU  20           H        GLU  20  -6.518  -1.511   0.188
  152    HA   GLU  20           HA       GLU  20  -9.097  -0.826   1.038
  153    HB2  GLU  20           HB2      GLU  20  -6.452   0.532   1.506
  154    HB3  GLU  20           HB3      GLU  20  -7.938   0.939   2.353
  155    HG2  GLU  20           HG2      GLU  20  -6.531  -1.725   2.442
  156    HG3  GLU  20           HG3      GLU  20  -6.489  -0.485   3.697
  157    H    GLY  21           H        GLY  21  -6.961   0.622  -1.185
  158    HA2  GLY  21           HA2      GLY  21  -8.080   3.166  -1.572
  159    HA3  GLY  21           HA3      GLY  21  -7.248   2.238  -2.826
  160    H    PHE  22           H        PHE  22  -8.940   0.098  -2.886
  161    HA   PHE  22           HA       PHE  22 -11.171   1.151  -4.384
  162    HB2  PHE  22           HB2      PHE  22 -10.006  -0.790  -5.261
  163    HB3  PHE  22           HB3      PHE  22 -10.321  -1.682  -3.777
  164    HD1  PHE  22           HD1      PHE  22 -12.175   0.137  -6.433
  165    HD2  PHE  22           HD2      PHE  22 -12.026  -3.168  -3.789
  166    HE1  PHE  22           HE1      PHE  22 -14.242  -0.755  -7.437
  167    HE2  PHE  22           HE2      PHE  22 -14.079  -4.061  -4.751
  168    HZ   PHE  22           HZ       PHE  22 -15.201  -2.865  -6.592
  169    H    LEU  23           H        LEU  23 -10.698  -0.824  -1.505
  170    HA   LEU  23           HA       LEU  23 -13.388  -1.371  -0.956
  171    HB2  LEU  23           HB2      LEU  23 -11.090  -1.391   0.994
  172    HB3  LEU  23           HB3      LEU  23 -12.625  -2.195   1.196
  173    HG   LEU  23           HG       LEU  23 -10.516  -2.875  -0.839
  174   HD11  LEU  23          HD11      LEU  23 -10.365  -4.968   0.336
  175   HD12  LEU  23          HD12      LEU  23 -11.531  -4.394   1.537
  176   HD13  LEU  23          HD13      LEU  23  -9.952  -3.611   1.387
  177   HD21  LEU  23          HD21      LEU  23 -11.959  -4.752  -1.440
  178   HD22  LEU  23          HD22      LEU  23 -12.693  -3.185  -1.799
  179   HD23  LEU  23          HD23      LEU  23 -13.221  -4.099  -0.386
  180    H    ASN  24           H        ASN  24 -11.779   1.534  -0.500
  181    HA   ASN  24           HA       ASN  24 -13.091   2.526   1.786
  182    HB2  ASN  24           HB2      ASN  24 -12.464   4.735   1.120
  183    HB3  ASN  24           HB3      ASN  24 -11.164   3.686   0.611
  184   HD21  ASN  24          HD21      ASN  24 -12.578   2.774  -1.934
  185   HD22  ASN  24          HD22      ASN  24 -12.532   4.185  -2.904
  186    H    ALA  25           H        ALA  25 -14.324   1.899  -1.386
  187    HA   ALA  25           HA       ALA  25 -16.778   3.379  -0.730
  188    HB1  ALA  25           HB1      ALA  25 -15.542   4.504  -2.501
  189    HB2  ALA  25           HB2      ALA  25 -17.046   3.810  -3.127
  190    HB3  ALA  25           HB3      ALA  25 -15.510   3.010  -3.432
  191    H    TRP  26           H        TRP  26 -15.463   0.364  -1.160
  192    HA   TRP  26           HA       TRP  26 -18.009  -0.802  -1.884
  193    HB2  TRP  26           HB2      TRP  26 -15.319  -1.480  -3.134
  194    HB3  TRP  26           HB3      TRP  26 -16.728  -2.523  -3.230
  195    HD1  TRP  26           HD1      TRP  26 -15.676   1.045  -4.326
  196    HE1  TRP  26           HE1      TRP  26 -16.880   1.601  -6.512
  197    HE3  TRP  26           HE3      TRP  26 -18.507  -3.194  -4.767
  198    HZ2  TRP  26           HZ2      TRP  26 -18.782   0.390  -8.217
  199    HZ3  TRP  26           HZ3      TRP  26 -19.984  -3.416  -6.711
  200    HH2  TRP  26           HH2      TRP  26 -20.131  -1.666  -8.395
  Start of MODEL    6
    1    H1   LYS   1           HT1      LYS   1  16.778  -9.892   6.074
    2    H2   LYS   1           HT2      LYS   1  17.383  -9.434   4.570
    3    H3   LYS   1           HT3      LYS   1  15.727  -9.586   4.815
    4    HA   LYS   1           HA       LYS   1  15.587  -7.798   6.239
    5    HB2  LYS   1           HB2      LYS   1  17.483  -6.375   6.745
    6    HB3  LYS   1           HB3      LYS   1  17.747  -8.009   7.326
    7    HG2  LYS   1           HG2      LYS   1  19.241  -8.479   5.518
    8    HG3  LYS   1           HG3      LYS   1  18.914  -6.922   4.772
    9    HD2  LYS   1           HD2      LYS   1  20.172  -7.320   7.492
   10    HD3  LYS   1           HD3      LYS   1  21.056  -6.968   6.003
   11    HE2  LYS   1           HE2      LYS   1  19.920  -4.829   5.800
   12    HE3  LYS   1           HE3      LYS   1  18.955  -5.157   7.232
   13    HZ1  LYS   1           HZ1      LYS   1  21.912  -4.873   7.198
   14    HZ2  LYS   1           HZ2      LYS   1  20.959  -5.171   8.542
   15    HZ3  LYS   1           HZ3      LYS   1  20.803  -3.718   7.709
   16    H    LYS   2           H        LYS   2  16.490  -8.495   3.098
   17    HA   LYS   2           HA       LYS   2  16.640  -5.733   2.300
   18    HB2  LYS   2           HB2      LYS   2  18.218  -7.133   1.221
   19    HB3  LYS   2           HB3      LYS   2  16.999  -8.300   0.753
   20    HG2  LYS   2           HG2      LYS   2  17.667  -7.031  -1.179
   21    HG3  LYS   2           HG3      LYS   2  16.010  -6.626  -0.758
   22    HD2  LYS   2           HD2      LYS   2  17.158  -4.606  -1.356
   23    HD3  LYS   2           HD3      LYS   2  16.858  -4.574   0.374
   24    HE2  LYS   2           HE2      LYS   2  19.134  -5.159   0.844
   25    HE3  LYS   2           HE3      LYS   2  19.467  -5.430  -0.865
   26    HZ1  LYS   2           HZ1      LYS   2  19.040  -3.089  -1.270
   27    HZ2  LYS   2           HZ2      LYS   2  20.281  -3.277  -0.165
   28    HZ3  LYS   2           HZ3      LYS   2  18.778  -2.800   0.362
   29    H    LYS   3           H        LYS   3  14.854  -4.724   2.286
   30    HA   LYS   3           HA       LYS   3  12.466  -5.818   0.986
   31    HB2  LYS   3           HB2      LYS   3  12.270  -4.758   3.253
   32    HB3  LYS   3           HB3      LYS   3  12.955  -3.288   2.586
   33    HG2  LYS   3           HG2      LYS   3  10.608  -3.000   2.833
   34    HG3  LYS   3           HG3      LYS   3  10.958  -3.101   1.116
   35    HD2  LYS   3           HD2      LYS   3  10.161  -5.366   1.023
   36    HD3  LYS   3           HD3      LYS   3   9.980  -5.430   2.778
   37    HE2  LYS   3           HE2      LYS   3   8.295  -3.629   2.642
   38    HE3  LYS   3           HE3      LYS   3   8.447  -3.637   0.888
   39    HZ1  LYS   3           HZ1      LYS   3   7.552  -5.957   2.512
   40    HZ2  LYS   3           HZ2      LYS   3   7.567  -5.864   0.835
   41    HZ3  LYS   3           HZ3      LYS   3   6.533  -4.892   1.735
   42    H    LYS   4           H        LYS   4  12.203  -5.205  -1.112
   43    HA   LYS   4           HA       LYS   4  14.019  -3.434  -2.455
   44    HB2  LYS   4           HB2      LYS   4  12.616  -3.836  -4.432
   45    HB3  LYS   4           HB3      LYS   4  13.048  -5.331  -3.610
   46    HG2  LYS   4           HG2      LYS   4  10.785  -5.314  -2.530
   47    HG3  LYS   4           HG3      LYS   4  10.411  -3.884  -3.489
   48    HD2  LYS   4           HD2      LYS   4  11.215  -6.519  -4.700
   49    HD3  LYS   4           HD3      LYS   4   9.544  -6.036  -4.435
   50    HE2  LYS   4           HE2      LYS   4   9.837  -4.125  -5.914
   51    HE3  LYS   4           HE3      LYS   4  11.540  -4.526  -6.121
   52    HZ1  LYS   4           HZ1      LYS   4  10.927  -6.572  -7.174
   53    HZ2  LYS   4           HZ2      LYS   4  10.169  -5.329  -7.978
   54    HZ3  LYS   4           HZ3      LYS   4   9.300  -6.311  -6.912
   55    H    GLN   5           H        GLN   5  11.879  -2.414  -0.385
   56    HA   GLN   5           HA       GLN   5  10.881  -0.228  -2.044
   57    HB2  GLN   5           HB2      GLN   5   9.442  -1.628   0.212
   58    HB3  GLN   5           HB3      GLN   5   8.853  -0.228  -0.656
   59    HG2  GLN   5           HG2      GLN   5   8.626  -1.462  -2.679
   60    HG3  GLN   5           HG3      GLN   5   9.485  -2.835  -1.984
   61   HE21  GLN   5          HE21      GLN   5   7.097  -1.056  -0.187
   62   HE22  GLN   5          HE22      GLN   5   5.930  -2.339  -0.176
   63    H    SER   6           H        SER   6  11.739   1.597  -1.396
   64    HA   SER   6           HA       SER   6  12.888   2.114   1.149
   65    HB2  SER   6           HB2      SER   6  11.847   4.064  -0.913
   66    HB3  SER   6           HB3      SER   6  13.120   4.358   0.275
   67    HG   SER   6           HG       SER   6  14.339   3.813  -1.331
   68    H    TRP   7           H        TRP   7  11.971   4.098   2.446
   69    HA   TRP   7           HA       TRP   7   9.595   3.354   3.630
   70    HB2  TRP   7           HB2      TRP   7   9.630   5.535   4.800
   71    HB3  TRP   7           HB3      TRP   7  11.207   4.765   4.778
   72    HD1  TRP   7           HD1      TRP   7  13.134   5.968   3.365
   73    HE1  TRP   7           HE1      TRP   7  13.377   8.353   2.470
   74    HE3  TRP   7           HE3      TRP   7   8.293   7.510   3.840
   75    HZ2  TRP   7           HZ2      TRP   7  11.757  10.605   2.032
   76    HZ3  TRP   7           HZ3      TRP   7   7.726   9.810   3.165
   77    HH2  TRP   7           HH2      TRP   7   9.418  11.320   2.283
   78    H    TYR   8           H        TYR   8  10.039   5.721   1.108
   79    HA   TYR   8           HA       TYR   8   7.260   6.497   1.102
   80    HB2  TYR   8           HB2      TYR   8   7.854   7.857  -0.945
   81    HB3  TYR   8           HB3      TYR   8   8.826   8.218   0.466
   82    HD1  TYR   8           HD1      TYR   8  11.163   7.763   0.508
   83    HD2  TYR   8           HD2      TYR   8   8.847   6.641  -2.863
   84    HE1  TYR   8           HE1      TYR   8  13.221   7.364  -0.747
   85    HE2  TYR   8           HE2      TYR   8  10.905   6.223  -4.148
   86    HH   TYR   8           HH       TYR   8  13.960   6.086  -2.636
   87    H    ALA   9           H        ALA   9   9.113   4.176  -0.432
   88    HA   ALA   9           HA       ALA   9   7.346   3.675  -2.646
   89    HB1  ALA   9           HB1      ALA   9   9.475   1.897  -1.461
   90    HB2  ALA   9           HB2      ALA   9   9.723   3.037  -2.780
   91    HB3  ALA   9           HB3      ALA   9   8.670   1.636  -3.003
   92    H    ALA  10           H        ALA  10   7.903   2.329   0.587
   93    HA   ALA  10           HA       ALA  10   5.932   0.354   0.304
   94    HB1  ALA  10           HB1      ALA  10   7.195   1.508   2.784
   95    HB2  ALA  10           HB2      ALA  10   7.797   0.122   1.882
   96    HB3  ALA  10           HB3      ALA  10   6.233   0.035   2.700
   97    H    ALA  11           H        ALA  11   6.049   3.454   2.065
   98    HA   ALA  11           HA       ALA  11   3.438   3.361   3.042
   99    HB1  ALA  11           HB1      ALA  11   4.934   5.847   2.243
  100    HB2  ALA  11           HB2      ALA  11   5.129   4.998   3.778
  101    HB3  ALA  11           HB3      ALA  11   3.583   5.744   3.371
  102    H    GLY  12           H        GLY  12   4.545   4.527  -0.072
  103    HA2  GLY  12           HA2      GLY  12   2.098   5.624  -0.859
  104    HA3  GLY  12           HA3      GLY  12   3.426   5.151  -1.929
  105    H    ASP  13           H        ASP  13   3.562   2.462  -1.446
  106    HA   ASP  13           HA       ASP  13   1.265   1.631  -2.961
  107    HB2  ASP  13           HB2      ASP  13   3.617   0.697  -3.284
  108    HB3  ASP  13           HB3      ASP  13   3.360  -0.168  -1.784
  109    H    ALA  14           H        ALA  14   2.547   0.980   0.141
  110    HA   ALA  14           HA       ALA  14   0.909  -1.087   0.968
  111    HB1  ALA  14           HB1      ALA  14   2.145   0.988   2.763
  112    HB2  ALA  14           HB2      ALA  14   3.010  -0.333   2.052
  113    HB3  ALA  14           HB3      ALA  14   1.706  -0.669   3.212
  114    H    ILE  15           H        ILE  15   0.416   2.379   1.403
  115    HA   ILE  15           HA       ILE  15  -1.880   1.981   3.050
  116    HB   ILE  15           HB       ILE  15  -1.005   4.467   1.554
  117   HG12  ILE  15          HG12      ILE  15  -0.768   3.764   4.481
  118   HG13  ILE  15          HG13      ILE  15   0.542   3.619   3.309
  119   HG21  ILE  15          HG21      ILE  15  -2.535   5.679   3.059
  120   HG22  ILE  15          HG22      ILE  15  -3.059   4.128   3.736
  121   HG23  ILE  15          HG23      ILE  15  -3.418   4.511   2.056
  122   HD11  ILE  15          HD11      ILE  15   0.409   6.007   2.906
  123   HD12  ILE  15          HD12      ILE  15   0.771   5.643   4.594
  124   HD13  ILE  15          HD13      ILE  15  -0.858   6.157   4.123
  125    H    VAL  16           H        VAL  16  -1.371   2.680  -0.273
  126    HA   VAL  16           HA       VAL  16  -4.093   2.931  -1.015
  127    HB   VAL  16           HB       VAL  16  -1.737   2.112  -2.727
  128   HG11  VAL  16          HG11      VAL  16  -4.430   3.181  -3.540
  129   HG12  VAL  16          HG12      VAL  16  -3.847   1.530  -3.737
  130   HG13  VAL  16          HG13      VAL  16  -3.079   2.844  -4.639
  131   HG21  VAL  16          HG21      VAL  16  -1.705   4.494  -3.419
  132   HG22  VAL  16          HG22      VAL  16  -1.317   4.249  -1.734
  133   HG23  VAL  16          HG23      VAL  16  -2.926   4.833  -2.188
  134    H    SER  17           H        SER  17  -1.891   0.286  -0.893
  135    HA   SER  17           HA       SER  17  -3.629  -1.559  -2.161
  136    HB2  SER  17           HB2      SER  17  -1.038  -1.899  -0.672
  137    HB3  SER  17           HB3      SER  17  -1.903  -3.247  -1.434
  138    HG   SER  17           HG       SER  17  -0.158  -1.783  -2.623
  139    H    PHE  18           H        PHE  18  -3.025  -0.537   1.085
  140    HA   PHE  18           HA       PHE  18  -4.473  -2.617   2.330
  141    HB2  PHE  18           HB2      PHE  18  -3.268  -0.089   3.026
  142    HB3  PHE  18           HB3      PHE  18  -4.719  -0.380   3.946
  143    HD1  PHE  18           HD1      PHE  18  -1.438  -0.448   4.291
  144    HD2  PHE  18           HD2      PHE  18  -4.627  -3.222   4.448
  145    HE1  PHE  18           HE1      PHE  18  -0.068  -1.913   5.746
  146    HE2  PHE  18           HE2      PHE  18  -3.282  -4.714   5.905
  147    HZ   PHE  18           HZ       PHE  18  -0.992  -4.049   6.552
  148    H    GLY  19           H        GLY  19  -5.236   0.564   1.170
  149    HA2  GLY  19           HA2      GLY  19  -7.955   0.673   1.863
  150    HA3  GLY  19           HA3      GLY  19  -7.208   1.518   0.509
  151    H    GLU  20           H        GLU  20  -6.450  -0.285  -1.174
  152    HA   GLU  20           HA       GLU  20  -8.784  -1.183  -2.452
  153    HB2  GLU  20           HB2      GLU  20  -5.891  -1.919  -2.898
  154    HB3  GLU  20           HB3      GLU  20  -7.202  -2.414  -3.957
  155    HG2  GLU  20           HG2      GLU  20  -6.410   0.420  -3.363
  156    HG3  GLU  20           HG3      GLU  20  -5.973  -0.474  -4.817
  157    H    GLY  21           H        GLY  21  -6.507  -2.732  -0.434
  158    HA2  GLY  21           HA2      GLY  21  -7.321  -5.408  -0.696
  159    HA3  GLY  21           HA3      GLY  21  -6.481  -4.738   0.697
  160    H    PHE  22           H        PHE  22  -8.483  -2.800   1.233
  161    HA   PHE  22           HA       PHE  22 -10.369  -4.380   2.695
  162    HB2  PHE  22           HB2      PHE  22  -9.519  -2.353   3.692
  163    HB3  PHE  22           HB3      PHE  22 -10.025  -1.411   2.301
  164    HD1  PHE  22           HD1      PHE  22 -12.035  -0.309   2.333
  165    HD2  PHE  22           HD2      PHE  22 -11.391  -3.520   5.028
  166    HE1  PHE  22           HE1      PHE  22 -14.142   0.233   3.447
  167    HE2  PHE  22           HE2      PHE  22 -13.516  -2.982   6.177
  168    HZ   PHE  22           HZ       PHE  22 -14.892  -1.104   5.381
  169    H    LEU  23           H        LEU  23 -10.436  -2.216  -0.078
  170    HA   LEU  23           HA       LEU  23 -13.209  -2.203  -0.496
  171    HB2  LEU  23           HB2      LEU  23 -10.995  -1.634  -2.439
  172    HB3  LEU  23           HB3      LEU  23 -12.682  -1.282  -2.724
  173    HG   LEU  23           HG       LEU  23 -10.919  -0.044  -0.629
  174   HD11  LEU  23          HD11      LEU  23 -11.337   2.014  -1.880
  175   HD12  LEU  23          HD12      LEU  23 -12.236   1.076  -3.085
  176   HD13  LEU  23          HD13      LEU  23 -10.513   0.788  -2.846
  177   HD21  LEU  23          HD21      LEU  23 -12.856   1.376  -0.112
  178   HD22  LEU  23          HD22      LEU  23 -13.125  -0.325   0.269
  179   HD23  LEU  23          HD23      LEU  23 -13.849   0.376  -1.182
  180    H    ASN  24           H        ASN  24 -11.128  -4.685  -0.976
  181    HA   ASN  24           HA       ASN  24 -12.110  -5.944  -3.292
  182    HB2  ASN  24           HB2      ASN  24 -11.007  -7.896  -2.619
  183    HB3  ASN  24           HB3      ASN  24 -10.046  -6.576  -1.967
  184   HD21  ASN  24          HD21      ASN  24 -11.886  -6.167   0.479
  185   HD22  ASN  24          HD22      ASN  24 -11.544  -7.577   1.389
  186    H    ALA  25           H        ALA  25 -13.736  -5.377  -0.404
  187    HA   ALA  25           HA       ALA  25 -15.625  -7.572  -0.863
  188    HB1  ALA  25           HB1      ALA  25 -15.067  -6.027   1.664
  189    HB2  ALA  25           HB2      ALA  25 -14.487  -7.652   1.320
  190    HB3  ALA  25           HB3      ALA  25 -16.218  -7.351   1.499
  191    H    TRP  26           H        TRP  26 -15.283  -4.663  -1.906
  192    HA   TRP  26           HA       TRP  26 -18.038  -3.853  -1.370
  193    HB2  TRP  26           HB2      TRP  26 -15.570  -2.095  -1.608
  194    HB3  TRP  26           HB3      TRP  26 -17.213  -1.475  -1.707
  195    HD1  TRP  26           HD1      TRP  26 -14.851  -3.221   0.804
  196    HE1  TRP  26           HE1      TRP  26 -15.634  -2.659   3.175
  197    HE3  TRP  26           HE3      TRP  26 -19.103  -0.614  -0.345
  198    HZ2  TRP  26           HZ2      TRP  26 -17.748  -1.253   4.409
  199    HZ3  TRP  26           HZ3      TRP  26 -20.444   0.311   1.498
  200    HH2  TRP  26           HH2      TRP  26 -19.782  -0.004   3.821
  Start of MODEL    7
    1    H1   LYS   1           HT1      LYS   1  24.491   1.542  -3.043
    2    H2   LYS   1           HT2      LYS   1  23.920   1.615  -1.450
    3    H3   LYS   1           HT3      LYS   1  24.073   3.016  -2.339
    4    HA   LYS   1           HA       LYS   1  22.305   2.398  -3.791
    5    HB2  LYS   1           HB2      LYS   1  22.132  -0.075  -2.053
    6    HB3  LYS   1           HB3      LYS   1  21.003   0.375  -3.326
    7    HG2  LYS   1           HG2      LYS   1  22.861   0.195  -4.960
    8    HG3  LYS   1           HG3      LYS   1  23.891  -0.392  -3.652
    9    HD2  LYS   1           HD2      LYS   1  22.382  -2.273  -3.306
   10    HD3  LYS   1           HD3      LYS   1  21.344  -1.684  -4.605
   11    HE2  LYS   1           HE2      LYS   1  24.197  -2.630  -4.863
   12    HE3  LYS   1           HE3      LYS   1  22.739  -3.432  -5.443
   13    HZ1  LYS   1           HZ1      LYS   1  22.372  -1.505  -6.912
   14    HZ2  LYS   1           HZ2      LYS   1  23.818  -2.293  -7.237
   15    HZ3  LYS   1           HZ3      LYS   1  23.826  -0.847  -6.404
   16    H    LYS   2           H        LYS   2  20.167   2.905  -3.253
   17    HA   LYS   2           HA       LYS   2  19.932   3.572  -0.447
   18    HB2  LYS   2           HB2      LYS   2  20.695   5.541  -1.714
   19    HB3  LYS   2           HB3      LYS   2  19.236   5.442  -2.695
   20    HG2  LYS   2           HG2      LYS   2  17.881   5.829  -0.747
   21    HG3  LYS   2           HG3      LYS   2  19.325   5.857   0.270
   22    HD2  LYS   2           HD2      LYS   2  20.146   7.783  -1.065
   23    HD3  LYS   2           HD3      LYS   2  18.604   7.786  -1.929
   24    HE2  LYS   2           HE2      LYS   2  18.562   9.414  -0.143
   25    HE3  LYS   2           HE3      LYS   2  17.432   8.096   0.181
   26    HZ1  LYS   2           HZ1      LYS   2  18.720   8.655   2.179
   27    HZ2  LYS   2           HZ2      LYS   2  20.138   8.382   1.344
   28    HZ3  LYS   2           HZ3      LYS   2  19.122   7.102   1.650
   29    H    LYS   3           H        LYS   3  18.550   2.007  -0.082
   30    HA   LYS   3           HA       LYS   3  15.921   2.617  -1.085
   31    HB2  LYS   3           HB2      LYS   3  15.251   0.182  -0.948
   32    HB3  LYS   3           HB3      LYS   3  16.359   0.585  -2.229
   33    HG2  LYS   3           HG2      LYS   3  17.048  -1.508  -1.384
   34    HG3  LYS   3           HG3      LYS   3  18.206  -0.340  -0.781
   35    HD2  LYS   3           HD2      LYS   3  17.203  -0.380   1.401
   36    HD3  LYS   3           HD3      LYS   3  15.855  -1.345   0.816
   37    HE2  LYS   3           HE2      LYS   3  17.498  -2.696   2.050
   38    HE3  LYS   3           HE3      LYS   3  17.313  -3.221   0.370
   39    HZ1  LYS   3           HZ1      LYS   3  19.522  -1.552   1.450
   40    HZ2  LYS   3           HZ2      LYS   3  19.371  -2.096  -0.153
   41    HZ3  LYS   3           HZ3      LYS   3  19.594  -3.183   1.084
   42    H    LYS   4           H        LYS   4  14.265   2.685   0.310
   43    HA   LYS   4           HA       LYS   4  15.108   2.693   3.114
   44    HB2  LYS   4           HB2      LYS   4  13.358   4.334   3.503
   45    HB3  LYS   4           HB3      LYS   4  14.433   4.890   2.238
   46    HG2  LYS   4           HG2      LYS   4  12.798   4.315   0.539
   47    HG3  LYS   4           HG3      LYS   4  11.740   3.614   1.764
   48    HD2  LYS   4           HD2      LYS   4  10.913   5.812   1.194
   49    HD3  LYS   4           HD3      LYS   4  11.576   5.870   2.817
   50    HE2  LYS   4           HE2      LYS   4  13.644   6.851   1.939
   51    HE3  LYS   4           HE3      LYS   4  12.974   6.790   0.307
   52    HZ1  LYS   4           HZ1      LYS   4  11.929   8.416   2.581
   53    HZ2  LYS   4           HZ2      LYS   4  11.229   8.337   1.050
   54    HZ3  LYS   4           HZ3      LYS   4  12.738   8.993   1.234
   55    H    GLN   5           H        GLN   5  13.011   1.144   0.850
   56    HA   GLN   5           HA       GLN   5  11.832  -0.300   3.006
   57    HB2  GLN   5           HB2      GLN   5   9.542   0.088   2.246
   58    HB3  GLN   5           HB3      GLN   5  10.303   1.594   2.708
   59    HG2  GLN   5           HG2      GLN   5  10.737   2.033   0.270
   60    HG3  GLN   5           HG3      GLN   5   9.806   0.566  -0.052
   61   HE21  GLN   5          HE21      GLN   5   7.637   0.584   0.158
   62   HE22  GLN   5          HE22      GLN   5   6.711   2.040   0.388
   63    H    SER   6           H        SER   6  10.666  -2.076   2.170
   64    HA   SER   6           HA       SER   6  11.889  -3.089  -0.263
   65    HB2  SER   6           HB2      SER   6  12.062  -4.466   1.797
   66    HB3  SER   6           HB3      SER   6  10.308  -4.595   1.848
   67    HG   SER   6           HG       SER   6  11.874  -6.238   0.698
   68    H    TRP   7           H        TRP   7  10.260  -4.743  -1.362
   69    HA   TRP   7           HA       TRP   7   8.291  -3.161  -2.599
   70    HB2  TRP   7           HB2      TRP   7   7.658  -5.318  -3.778
   71    HB3  TRP   7           HB3      TRP   7   9.342  -4.848  -3.931
   72    HD1  TRP   7           HD1      TRP   7  11.154  -6.395  -2.727
   73    HE1  TRP   7           HE1      TRP   7  11.071  -8.796  -1.867
   74    HE3  TRP   7           HE3      TRP   7   6.074  -7.053  -2.693
   75    HZ2  TRP   7           HZ2      TRP   7   9.100 -10.737  -1.244
   76    HZ3  TRP   7           HZ3      TRP   7   5.180  -9.220  -1.949
   77    HH2  TRP   7           HH2      TRP   7   6.655 -11.016  -1.238
   78    H    TYR   8           H        TYR   8   8.153  -5.597  -0.126
   79    HA   TYR   8           HA       TYR   8   5.307  -5.761  -0.167
   80    HB2  TYR   8           HB2      TYR   8   5.544  -7.126   1.928
   81    HB3  TYR   8           HB3      TYR   8   6.443  -7.734   0.554
   82    HD1  TYR   8           HD1      TYR   8   8.758  -8.099   0.719
   83    HD2  TYR   8           HD2      TYR   8   6.793  -5.844   3.741
   84    HE1  TYR   8           HE1      TYR   8  10.791  -8.184   2.099
   85    HE2  TYR   8           HE2      TYR   8   8.796  -5.912   5.114
   86    HH   TYR   8           HH       TYR   8  10.769  -7.408   5.332
   87    H    ALA   9           H        ALA   9   7.406  -3.541   1.077
   88    HA   ALA   9           HA       ALA   9   5.938  -2.723   3.352
   89    HB1  ALA   9           HB1      ALA   9   7.238  -0.630   3.236
   90    HB2  ALA   9           HB2      ALA   9   7.842  -1.087   1.644
   91    HB3  ALA   9           HB3      ALA   9   8.275  -2.044   3.058
   92    H    ALA  10           H        ALA  10   6.090  -1.628  -0.042
   93    HA   ALA  10           HA       ALA  10   3.987   0.258   0.276
   94    HB1  ALA  10           HB1      ALA  10   4.170   0.472  -2.154
   95    HB2  ALA  10           HB2      ALA  10   5.253  -0.921  -2.197
   96    HB3  ALA  10           HB3      ALA  10   5.761   0.567  -1.401
   97    H    ALA  11           H        ALA  11   4.383  -2.934  -1.211
   98    HA   ALA  11           HA       ALA  11   1.835  -3.247  -2.279
   99    HB1  ALA  11           HB1      ALA  11   2.260  -5.597  -2.294
  100    HB2  ALA  11           HB2      ALA  11   3.523  -5.430  -1.084
  101    HB3  ALA  11           HB3      ALA  11   3.758  -4.758  -2.698
  102    H    GLY  12           H        GLY  12   2.892  -4.045   0.975
  103    HA2  GLY  12           HA2      GLY  12   0.491  -5.216   1.783
  104    HA3  GLY  12           HA3      GLY  12   1.670  -4.459   2.857
  105    H    ASP  13           H        ASP  13   1.623  -1.903   2.206
  106    HA   ASP  13           HA       ASP  13  -0.790  -1.042   3.457
  107    HB2  ASP  13           HB2      ASP  13   1.483   0.057   3.741
  108    HB3  ASP  13           HB3      ASP  13   1.294   0.640   2.109
  109    H    ALA  14           H        ALA  14   0.506  -0.780   0.323
  110    HA   ALA  14           HA       ALA  14  -1.352   0.934  -0.899
  111    HB1  ALA  14           HB1      ALA  14  -0.364   0.259  -2.989
  112    HB2  ALA  14           HB2      ALA  14   0.257  -1.218  -2.245
  113    HB3  ALA  14           HB3      ALA  14   0.922   0.317  -1.767
  114    H    ILE  15           H        ILE  15  -1.313  -2.608  -0.725
  115    HA   ILE  15           HA       ILE  15  -3.712  -2.825  -2.292
  116    HB   ILE  15           HB       ILE  15  -2.327  -4.890  -0.548
  117   HG12  ILE  15          HG12      ILE  15  -2.335  -4.580  -3.560
  118   HG13  ILE  15          HG13      ILE  15  -1.041  -4.043  -2.492
  119   HG21  ILE  15          HG21      ILE  15  -4.690  -5.443  -0.849
  120   HG22  ILE  15          HG22      ILE  15  -3.648  -6.553  -1.742
  121   HG23  ILE  15          HG23      ILE  15  -4.518  -5.270  -2.600
  122   HD11  ILE  15          HD11      ILE  15  -1.988  -6.860  -2.845
  123   HD12  ILE  15          HD12      ILE  15  -0.767  -6.302  -1.714
  124   HD13  ILE  15          HD13      ILE  15  -0.470  -6.166  -3.461
  125    H    VAL  16           H        VAL  16  -2.953  -2.814   1.060
  126    HA   VAL  16           HA       VAL  16  -5.584  -3.262   2.007
  127    HB   VAL  16           HB       VAL  16  -3.355  -1.686   3.362
  128   HG11  VAL  16          HG11      VAL  16  -5.936  -2.725   4.543
  129   HG12  VAL  16          HG12      VAL  16  -5.542  -1.030   4.266
  130   HG13  VAL  16          HG13      VAL  16  -4.622  -1.969   5.442
  131   HG21  VAL  16          HG21      VAL  16  -4.333  -4.517   3.713
  132   HG22  VAL  16          HG22      VAL  16  -3.107  -3.720   4.708
  133   HG23  VAL  16          HG23      VAL  16  -2.797  -4.007   3.005
  134    H    SER  17           H        SER  17  -3.954  -0.340   1.167
  135    HA   SER  17           HA       SER  17  -6.060   1.457   1.799
  136    HB2  SER  17           HB2      SER  17  -3.589   2.012   1.464
  137    HB3  SER  17           HB3      SER  17  -3.899   1.888  -0.256
  138    HG   SER  17           HG       SER  17  -4.731   3.814   1.567
  139    H    PHE  18           H        PHE  18  -5.192  -0.397  -0.991
  140    HA   PHE  18           HA       PHE  18  -6.862   0.691  -2.978
  141    HB2  PHE  18           HB2      PHE  18  -4.997  -1.122  -3.037
  142    HB3  PHE  18           HB3      PHE  18  -6.269  -2.243  -2.642
  143    HD1  PHE  18           HD1      PHE  18  -8.438  -1.892  -4.306
  144    HD2  PHE  18           HD2      PHE  18  -4.384  -1.023  -5.160
  145    HE1  PHE  18           HE1      PHE  18  -8.903  -2.159  -6.705
  146    HE2  PHE  18           HE2      PHE  18  -4.823  -1.263  -7.576
  147    HZ   PHE  18           HZ       PHE  18  -7.093  -1.838  -8.349
  148    H    GLY  19           H        GLY  19  -7.317  -1.778  -0.495
  149    HA2  GLY  19           HA2      GLY  19 -10.004  -2.471  -1.088
  150    HA3  GLY  19           HA3      GLY  19  -9.166  -2.753   0.439
  151    H    GLU  20           H        GLU  20  -8.561  -0.229   1.227
  152    HA   GLU  20           HA       GLU  20 -10.842   0.784   2.446
  153    HB2  GLU  20           HB2      GLU  20  -8.288   2.245   1.734
  154    HB3  GLU  20           HB3      GLU  20  -9.487   2.821   2.874
  155    HG2  GLU  20           HG2      GLU  20  -7.979   0.244   3.185
  156    HG3  GLU  20           HG3      GLU  20  -7.448   1.773   3.881
  157    H    GLY  21           H        GLY  21  -9.349   1.613  -0.509
  158    HA2  GLY  21           HA2      GLY  21 -10.789   3.878  -1.335
  159    HA3  GLY  21           HA3      GLY  21 -10.086   2.687  -2.431
  160    H    PHE  22           H        PHE  22 -11.474   0.511  -1.798
  161    HA   PHE  22           HA       PHE  22 -13.944   0.890  -3.198
  162    HB2  PHE  22           HB2      PHE  22 -12.691  -1.172  -3.493
  163    HB3  PHE  22           HB3      PHE  22 -12.766  -1.508  -1.781
  164    HD1  PHE  22           HD1      PHE  22 -14.432  -2.841  -0.921
  165    HD2  PHE  22           HD2      PHE  22 -14.943  -1.089  -4.760
  166    HE1  PHE  22           HE1      PHE  22 -16.461  -4.144  -1.224
  167    HE2  PHE  22           HE2      PHE  22 -16.994  -2.407  -5.086
  168    HZ   PHE  22           HZ       PHE  22 -17.761  -3.939  -3.319
  169    H    LEU  23           H        LEU  23 -13.042   0.430   0.124
  170    HA   LEU  23           HA       LEU  23 -15.643   0.026   1.184
  171    HB2  LEU  23           HB2      LEU  23 -13.141   0.870   2.580
  172    HB3  LEU  23           HB3      LEU  23 -14.616   0.325   3.363
  173    HG   LEU  23           HG       LEU  23 -12.748  -1.297   1.652
  174   HD11  LEU  23          HD11      LEU  23 -12.093  -1.114   3.964
  175   HD12  LEU  23          HD12      LEU  23 -12.669  -2.745   3.600
  176   HD13  LEU  23          HD13      LEU  23 -13.710  -1.622   4.463
  177   HD21  LEU  23          HD21      LEU  23 -15.493  -2.035   2.628
  178   HD22  LEU  23          HD22      LEU  23 -14.330  -3.171   1.928
  179   HD23  LEU  23          HD23      LEU  23 -14.969  -1.845   0.953
  180    H    ASN  24           H        ASN  24 -14.370   2.777  -0.013
  181    HA   ASN  24           HA       ASN  24 -15.460   4.794   1.580
  182    HB2  ASN  24           HB2      ASN  24 -15.273   6.210  -0.282
  183    HB3  ASN  24           HB3      ASN  24 -14.137   4.939  -0.693
  184   HD21  ASN  24          HD21      ASN  24 -14.872   3.283  -2.227
  185   HD22  ASN  24          HD22      ASN  24 -16.048   3.718  -3.419
  186    H    ALA  25           H        ALA  25 -17.018   2.519  -0.600
  187    HA   ALA  25           HA       ALA  25 -19.644   3.698  -0.061
  188    HB1  ALA  25           HB1      ALA  25 -19.027   3.699  -2.408
  189    HB2  ALA  25           HB2      ALA  25 -20.362   2.579  -2.122
  190    HB3  ALA  25           HB3      ALA  25 -18.719   1.966  -2.344
  191    H    TRP  26           H        TRP  26 -17.623   0.993   0.400
  192    HA   TRP  26           HA       TRP  26 -17.754  -0.959   1.439
  193    HB2  TRP  26           HB2      TRP  26 -20.354   0.152   2.388
  194    HB3  TRP  26           HB3      TRP  26 -19.778  -1.427   2.933
  195    HD1  TRP  26           HD1      TRP  26 -19.397   2.281   3.511
  196    HE1  TRP  26           HE1      TRP  26 -17.758   2.696   5.446
  197    HE3  TRP  26           HE3      TRP  26 -17.593  -2.451   4.050
  198    HZ2  TRP  26           HZ2      TRP  26 -15.918   1.216   6.986
  199    HZ3  TRP  26           HZ3      TRP  26 -15.890  -2.881   5.765
  200    HH2  TRP  26           HH2      TRP  26 -15.067  -1.089   7.214
  Start of MODEL    8
    1    H1   LYS   1           HT1      LYS   1  21.934  -4.288  -1.365
    2    H2   LYS   1           HT2      LYS   1  20.769  -4.034  -0.191
    3    H3   LYS   1           HT3      LYS   1  20.419  -4.972  -1.557
    4    HA   LYS   1           HA       LYS   1  21.951  -6.617  -0.962
    5    HB2  LYS   1           HB2      LYS   1  22.353  -4.995   1.544
    6    HB3  LYS   1           HB3      LYS   1  22.986  -6.610   1.293
    7    HG2  LYS   1           HG2      LYS   1  24.315  -5.749  -0.610
    8    HG3  LYS   1           HG3      LYS   1  23.721  -4.134  -0.246
    9    HD2  LYS   1           HD2      LYS   1  25.404  -5.879   1.550
   10    HD3  LYS   1           HD3      LYS   1  25.923  -4.433   0.688
   11    HE2  LYS   1           HE2      LYS   1  24.336  -3.093   1.996
   12    HE3  LYS   1           HE3      LYS   1  23.860  -4.537   2.883
   13    HZ1  LYS   1           HZ1      LYS   1  25.490  -3.250   4.121
   14    HZ2  LYS   1           HZ2      LYS   1  26.552  -3.326   2.829
   15    HZ3  LYS   1           HZ3      LYS   1  26.180  -4.721   3.669
   16    H    LYS   2           H        LYS   2  20.142  -5.225   1.867
   17    HA   LYS   2           HA       LYS   2  18.757  -7.796   1.791
   18    HB2  LYS   2           HB2      LYS   2  18.470  -7.836   4.118
   19    HB3  LYS   2           HB3      LYS   2  20.138  -7.406   3.838
   20    HG2  LYS   2           HG2      LYS   2  17.925  -5.560   4.641
   21    HG3  LYS   2           HG3      LYS   2  19.161  -6.204   5.725
   22    HD2  LYS   2           HD2      LYS   2  20.833  -5.008   4.203
   23    HD3  LYS   2           HD3      LYS   2  19.424  -4.195   3.508
   24    HE2  LYS   2           HE2      LYS   2  20.350  -4.102   6.379
   25    HE3  LYS   2           HE3      LYS   2  20.380  -2.786   5.218
   26    HZ1  LYS   2           HZ1      LYS   2  17.891  -2.892   5.211
   27    HZ2  LYS   2           HZ2      LYS   2  18.538  -2.519   6.712
   28    HZ3  LYS   2           HZ3      LYS   2  17.980  -4.057   6.423
   29    H    LYS   3           H        LYS   3  18.187  -4.744   0.991
   30    HA   LYS   3           HA       LYS   3  15.471  -4.629   1.945
   31    HB2  LYS   3           HB2      LYS   3  15.242  -2.623   0.565
   32    HB3  LYS   3           HB3      LYS   3  16.680  -2.527   1.565
   33    HG2  LYS   3           HG2      LYS   3  18.066  -3.134  -0.342
   34    HG3  LYS   3           HG3      LYS   3  16.634  -3.267  -1.356
   35    HD2  LYS   3           HD2      LYS   3  17.502  -0.749   0.057
   36    HD3  LYS   3           HD3      LYS   3  17.887  -1.115  -1.623
   37    HE2  LYS   3           HE2      LYS   3  15.470  -1.182  -2.119
   38    HE3  LYS   3           HE3      LYS   3  15.137  -0.769  -0.434
   39    HZ1  LYS   3           HZ1      LYS   3  15.082   1.167  -1.939
   40    HZ2  LYS   3           HZ2      LYS   3  16.694   0.925  -2.306
   41    HZ3  LYS   3           HZ3      LYS   3  16.270   1.345  -0.752
   42    H    LYS   4           H        LYS   4  13.665  -5.011   0.783
   43    HA   LYS   4           HA       LYS   4  14.054  -6.452  -1.740
   44    HB2  LYS   4           HB2      LYS   4  11.780  -7.427  -1.330
   45    HB3  LYS   4           HB3      LYS   4  12.968  -7.858  -0.111
   46    HG2  LYS   4           HG2      LYS   4  12.008  -6.329   1.458
   47    HG3  LYS   4           HG3      LYS   4  10.952  -5.646   0.220
   48    HD2  LYS   4           HD2      LYS   4   9.747  -7.148   1.732
   49    HD3  LYS   4           HD3      LYS   4   9.733  -7.746   0.081
   50    HE2  LYS   4           HE2      LYS   4  11.466  -9.355   0.603
   51    HE3  LYS   4           HE3      LYS   4  11.631  -8.698   2.233
   52    HZ1  LYS   4           HZ1      LYS   4   9.373  -9.409   2.693
   53    HZ2  LYS   4           HZ2      LYS   4  10.301 -10.721   2.187
   54    HZ3  LYS   4           HZ3      LYS   4   9.206 -10.025   1.132
   55    H    GLN   5           H        GLN   5  12.651  -3.666  -0.271
   56    HA   GLN   5           HA       GLN   5  11.644  -2.717  -2.800
   57    HB2  GLN   5           HB2      GLN   5   9.948  -3.065  -0.317
   58    HB3  GLN   5           HB3      GLN   5   9.503  -2.040  -1.667
   59    HG2  GLN   5           HG2      GLN   5   9.276  -3.914  -3.107
   60    HG3  GLN   5           HG3      GLN   5   9.993  -4.990  -1.917
   61   HE21  GLN   5          HE21      GLN   5   7.717  -2.517  -1.048
   62   HE22  GLN   5          HE22      GLN   5   6.441  -3.580  -0.592
   63    H    SER   6           H        SER   6  11.495  -0.525  -2.767
   64    HA   SER   6           HA       SER   6  12.813   0.845  -0.585
   65    HB2  SER   6           HB2      SER   6  11.763   1.900  -3.229
   66    HB3  SER   6           HB3      SER   6  12.759   2.805  -2.091
   67    HG   SER   6           HG       SER   6  13.388   0.743  -3.803
   68    H    TRP   7           H        TRP   7  11.737   2.985   0.090
   69    HA   TRP   7           HA       TRP   7   9.403   2.383   1.438
   70    HB2  TRP   7           HB2      TRP   7   9.274   4.784   2.037
   71    HB3  TRP   7           HB3      TRP   7  10.889   4.133   2.231
   72    HD1  TRP   7           HD1      TRP   7  12.777   5.061   0.562
   73    HE1  TRP   7           HE1      TRP   7  12.924   7.202  -0.821
   74    HE3  TRP   7           HE3      TRP   7   7.867   6.393   0.668
   75    HZ2  TRP   7           HZ2      TRP   7  11.162   9.229  -1.758
   76    HZ3  TRP   7           HZ3      TRP   7   7.174   8.432  -0.486
   77    HH2  TRP   7           HH2      TRP   7   8.781   9.823  -1.672
   78    H    TYR   8           H        TYR   8   9.762   4.055  -1.595
   79    HA   TYR   8           HA       TYR   8   6.979   4.661  -1.762
   80    HB2  TYR   8           HB2      TYR   8   7.517   5.378  -4.135
   81    HB3  TYR   8           HB3      TYR   8   8.397   6.210  -2.853
   82    HD1  TYR   8           HD1      TYR   8  10.718   6.205  -2.815
   83    HD2  TYR   8           HD2      TYR   8   8.679   3.556  -5.423
   84    HE1  TYR   8           HE1      TYR   8  12.854   5.662  -3.913
   85    HE2  TYR   8           HE2      TYR   8  10.777   2.989  -6.528
   86    HH   TYR   8           HH       TYR   8  12.957   4.126  -6.854
   87    H    ALA   9           H        ALA   9   8.854   2.026  -2.660
   88    HA   ALA   9           HA       ALA   9   7.072   0.974  -4.633
   89    HB1  ALA   9           HB1      ALA   9   8.399  -1.138  -4.383
   90    HB2  ALA   9           HB2      ALA   9   9.241  -0.403  -3.026
   91    HB3  ALA   9           HB3      ALA   9   9.407   0.285  -4.638
   92    H    ALA  10           H        ALA  10   7.584   0.665  -1.178
   93    HA   ALA  10           HA       ALA  10   5.554  -1.284  -0.714
   94    HB1  ALA  10           HB1      ALA  10   6.901   0.700   1.127
   95    HB2  ALA  10           HB2      ALA  10   7.456  -0.946   0.821
   96    HB3  ALA  10           HB3      ALA  10   5.899  -0.669   1.609
   97    H    ALA  11           H        ALA  11   5.852   2.210  -0.247
   98    HA   ALA  11           HA       ALA  11   3.292   2.704   0.677
   99    HB1  ALA  11           HB1      ALA  11   3.609   4.993   0.029
  100    HB2  ALA  11           HB2      ALA  11   4.914   4.547  -1.071
  101    HB3  ALA  11           HB3      ALA  11   5.130   4.371   0.669
  102    H    GLY  12           H        GLY  12   4.388   2.539  -2.672
  103    HA2  GLY  12           HA2      GLY  12   2.085   3.336  -3.939
  104    HA3  GLY  12           HA3      GLY  12   3.270   2.203  -4.580
  105    H    ASP  13           H        ASP  13   3.053   0.060  -3.030
  106    HA   ASP  13           HA       ASP  13   0.538  -1.062  -3.900
  107    HB2  ASP  13           HB2      ASP  13   2.716  -2.384  -3.731
  108    HB3  ASP  13           HB3      ASP  13   2.506  -2.288  -1.998
  109    H    ALA  14           H        ALA  14   2.001  -0.313  -0.921
  110    HA   ALA  14           HA       ALA  14   0.203  -1.334   0.879
  111    HB1  ALA  14           HB1      ALA  14   1.323  -0.010   2.543
  112    HB2  ALA  14           HB2      ALA  14   1.798   1.169   1.320
  113    HB3  ALA  14           HB3      ALA  14   2.530  -0.407   1.297
  114    H    ILE  15           H        ILE  15   0.210   1.898  -0.566
  115    HA   ILE  15           HA       ILE  15  -2.095   2.698   0.913
  116    HB   ILE  15           HB       ILE  15  -0.765   4.029  -1.457
  117   HG12  ILE  15          HG12      ILE  15  -0.624   4.729   1.478
  118   HG13  ILE  15          HG13      ILE  15   0.588   3.785   0.616
  119   HG21  ILE  15          HG21      ILE  15  -2.009   6.045  -0.816
  120   HG22  ILE  15          HG22      ILE  15  -2.798   5.155   0.480
  121   HG23  ILE  15          HG23      ILE  15  -3.137   4.739  -1.199
  122   HD11  ILE  15          HD11      ILE  15   1.289   6.071   0.808
  123   HD12  ILE  15          HD12      ILE  15  -0.210   6.607   0.031
  124   HD13  ILE  15          HD13      ILE  15   0.957   5.633  -0.875
  125    H    VAL  16           H        VAL  16  -1.541   1.596  -2.300
  126    HA   VAL  16           HA       VAL  16  -4.208   1.905  -3.228
  127    HB   VAL  16           HB       VAL  16  -2.166  -0.157  -4.114
  128   HG11  VAL  16          HG11      VAL  16  -4.729   0.704  -5.456
  129   HG12  VAL  16          HG12      VAL  16  -4.405  -0.864  -4.711
  130   HG13  VAL  16          HG13      VAL  16  -3.518  -0.379  -6.155
  131   HG21  VAL  16          HG21      VAL  16  -2.893   2.532  -5.295
  132   HG22  VAL  16          HG22      VAL  16  -1.800   1.355  -6.027
  133   HG23  VAL  16          HG23      VAL  16  -1.378   2.095  -4.495
  134    H    SER  17           H        SER  17  -2.600  -0.726  -1.688
  135    HA   SER  17           HA       SER  17  -4.839  -2.466  -1.603
  136    HB2  SER  17           HB2      SER  17  -2.288  -2.429   0.007
  137    HB3  SER  17           HB3      SER  17  -3.437  -3.777  -0.066
  138    HG   SER  17           HG       SER  17  -1.398  -3.423  -1.691
  139    H    PHE  18           H        PHE  18  -3.745   0.153   0.346
  140    HA   PHE  18           HA       PHE  18  -5.198  -0.412   2.718
  141    HB2  PHE  18           HB2      PHE  18  -3.257   1.299   2.156
  142    HB3  PHE  18           HB3      PHE  18  -4.591   2.369   1.772
  143    HD1  PHE  18           HD1      PHE  18  -2.318   1.636   4.167
  144    HD2  PHE  18           HD2      PHE  18  -6.506   2.200   3.764
  145    HE1  PHE  18           HE1      PHE  18  -2.459   2.211   6.559
  146    HE2  PHE  18           HE2      PHE  18  -6.664   2.785   6.149
  147    HZ   PHE  18           HZ       PHE  18  -4.641   2.787   7.550
  148    H    GLY  19           H        GLY  19  -5.701   1.563  -0.164
  149    HA2  GLY  19           HA2      GLY  19  -8.269   2.522   0.462
  150    HA3  GLY  19           HA3      GLY  19  -7.563   2.441  -1.153
  151    H    GLU  20           H        GLU  20  -7.200  -0.261  -1.476
  152    HA   GLU  20           HA       GLU  20  -9.833  -1.099  -2.020
  153    HB2  GLU  20           HB2      GLU  20  -7.216  -2.537  -2.161
  154    HB3  GLU  20           HB3      GLU  20  -8.720  -3.326  -2.592
  155    HG2  GLU  20           HG2      GLU  20  -9.036  -1.401  -4.244
  156    HG3  GLU  20           HG3      GLU  20  -7.340  -1.031  -3.928
  157    H    GLY  21           H        GLY  21  -7.754  -1.516   0.600
  158    HA2  GLY  21           HA2      GLY  21  -9.000  -3.676   1.905
  159    HA3  GLY  21           HA3      GLY  21  -8.085  -2.401   2.709
  160    H    PHE  22           H        PHE  22  -9.494  -0.238   2.091
  161    HA   PHE  22           HA       PHE  22 -11.700  -0.248   3.864
  162    HB2  PHE  22           HB2      PHE  22 -10.594   1.847   3.444
  163    HB3  PHE  22           HB3      PHE  22 -10.874   1.712   1.714
  164    HD1  PHE  22           HD1      PHE  22 -12.661   2.094   4.944
  165    HD2  PHE  22           HD2      PHE  22 -12.744   2.667   0.733
  166    HE1  PHE  22           HE1      PHE  22 -14.769   3.352   5.152
  167    HE2  PHE  22           HE2      PHE  22 -14.841   3.919   0.932
  168    HZ   PHE  22           HZ       PHE  22 -15.858   4.264   3.152
  169    H    LEU  23           H        LEU  23 -11.463  -0.563   0.411
  170    HA   LEU  23           HA       LEU  23 -14.150  -0.230  -0.212
  171    HB2  LEU  23           HB2      LEU  23 -11.978  -1.576  -1.750
  172    HB3  LEU  23           HB3      LEU  23 -13.591  -1.314  -2.391
  173    HG   LEU  23           HG       LEU  23 -11.627   0.816  -1.553
  174   HD11  LEU  23          HD11      LEU  23 -11.078  -0.211  -3.666
  175   HD12  LEU  23          HD12      LEU  23 -11.663   1.439  -3.900
  176   HD13  LEU  23          HD13      LEU  23 -12.718   0.071  -4.253
  177   HD21  LEU  23          HD21      LEU  23 -14.446   1.061  -2.579
  178   HD22  LEU  23          HD22      LEU  23 -13.302   2.395  -2.434
  179   HD23  LEU  23          HD23      LEU  23 -13.846   1.542  -0.987
  180    H    ASN  24           H        ASN  24 -12.896  -2.861   1.370
  181    HA   ASN  24           HA       ASN  24 -14.728  -4.837   0.407
  182    HB2  ASN  24           HB2      ASN  24 -14.179  -6.180   2.319
  183    HB3  ASN  24           HB3      ASN  24 -12.712  -5.324   1.901
  184   HD21  ASN  24          HD21      ASN  24 -13.599  -2.759   3.258
  185   HD22  ASN  24          HD22      ASN  24 -13.503  -3.128   4.932
  186    H    ALA  25           H        ALA  25 -15.155  -2.018   2.169
  187    HA   ALA  25           HA       ALA  25 -17.719  -2.808   3.334
  188    HB1  ALA  25           HB1      ALA  25 -15.848  -0.561   4.068
  189    HB2  ALA  25           HB2      ALA  25 -16.003  -2.093   4.924
  190    HB3  ALA  25           HB3      ALA  25 -17.358  -0.962   4.895
  191    H    TRP  26           H        TRP  26 -17.063  -2.051   0.608
  192    HA   TRP  26           HA       TRP  26 -17.546   0.472  -0.232
  193    HB2  TRP  26           HB2      TRP  26 -18.473  -0.525  -2.338
  194    HB3  TRP  26           HB3      TRP  26 -16.925  -1.176  -1.825
  195    HD1  TRP  26           HD1      TRP  26 -17.001  -3.730  -0.792
  196    HE1  TRP  26           HE1      TRP  26 -18.591  -5.687  -1.325
  197    HE3  TRP  26           HE3      TRP  26 -20.824  -1.134  -2.980
  198    HZ2  TRP  26           HZ2      TRP  26 -21.100  -6.080  -2.489
  199    HZ3  TRP  26           HZ3      TRP  26 -22.788  -2.387  -3.764
  200    HH2  TRP  26           HH2      TRP  26 -22.916  -4.805  -3.536
  Start of MODEL    9
    1    H1   LYS   1           HT1      LYS   1  17.570  -9.326   6.329
    2    H2   LYS   1           HT2      LYS   1  17.128  -9.798   4.768
    3    H3   LYS   1           HT3      LYS   1  16.146  -8.759   5.642
    4    HA   LYS   1           HA       LYS   1  17.828  -7.054   5.640
    5    HB2  LYS   1           HB2      LYS   1  19.268  -8.989   3.839
    6    HB3  LYS   1           HB3      LYS   1  19.737  -7.333   4.123
    7    HG2  LYS   1           HG2      LYS   1  20.280  -7.777   6.411
    8    HG3  LYS   1           HG3      LYS   1  19.603  -9.405   6.314
    9    HD2  LYS   1           HD2      LYS   1  21.938  -8.428   4.670
   10    HD3  LYS   1           HD3      LYS   1  22.099  -9.340   6.174
   11    HE2  LYS   1           HE2      LYS   1  20.924 -11.221   5.203
   12    HE3  LYS   1           HE3      LYS   1  20.605 -10.323   3.730
   13    HZ1  LYS   1           HZ1      LYS   1  22.925 -10.288   3.242
   14    HZ2  LYS   1           HZ2      LYS   1  22.410 -11.854   3.478
   15    HZ3  LYS   1           HZ3      LYS   1  23.321 -11.106   4.672
   16    H    LYS   2           H        LYS   2  15.911  -8.916   3.557
   17    HA   LYS   2           HA       LYS   2  16.207  -7.049   1.391
   18    HB2  LYS   2           HB2      LYS   2  16.012  -9.482   0.911
   19    HB3  LYS   2           HB3      LYS   2  14.408  -9.469   1.619
   20    HG2  LYS   2           HG2      LYS   2  13.576  -8.033  -0.107
   21    HG3  LYS   2           HG3      LYS   2  15.189  -7.849  -0.797
   22    HD2  LYS   2           HD2      LYS   2  15.254 -10.264  -1.259
   23    HD3  LYS   2           HD3      LYS   2  13.631 -10.428  -0.592
   24    HE2  LYS   2           HE2      LYS   2  12.758  -8.952  -2.336
   25    HE3  LYS   2           HE3      LYS   2  14.383  -8.726  -2.971
   26    HZ1  LYS   2           HZ1      LYS   2  12.886 -11.296  -2.913
   27    HZ2  LYS   2           HZ2      LYS   2  14.468 -11.122  -3.403
   28    HZ3  LYS   2           HZ3      LYS   2  13.241 -10.375  -4.282
   29    H    LYS   3           H        LYS   3  15.327  -5.252   1.696
   30    HA   LYS   3           HA       LYS   3  13.026  -4.714   3.344
   31    HB2  LYS   3           HB2      LYS   3  14.536  -2.932   1.407
   32    HB3  LYS   3           HB3      LYS   3  13.407  -2.388   2.643
   33    HG2  LYS   3           HG2      LYS   3  14.855  -3.118   4.383
   34    HG3  LYS   3           HG3      LYS   3  15.941  -3.891   3.233
   35    HD2  LYS   3           HD2      LYS   3  16.423  -1.662   2.263
   36    HD3  LYS   3           HD3      LYS   3  15.399  -0.928   3.498
   37    HE2  LYS   3           HE2      LYS   3  16.835  -1.779   5.242
   38    HE3  LYS   3           HE3      LYS   3  17.813  -2.637   4.056
   39    HZ1  LYS   3           HZ1      LYS   3  18.384  -0.474   3.091
   40    HZ2  LYS   3           HZ2      LYS   3  18.896  -0.620   4.679
   41    HZ3  LYS   3           HZ3      LYS   3  17.542   0.303   4.319
   42    H    LYS   4           H        LYS   4  13.781  -5.239   0.088
   43    HA   LYS   4           HA       LYS   4  12.793  -5.580  -1.819
   44    HB2  LYS   4           HB2      LYS   4  10.651  -6.691  -1.963
   45    HB3  LYS   4           HB3      LYS   4  11.527  -7.305  -0.584
   46    HG2  LYS   4           HG2      LYS   4  10.202  -5.515   0.679
   47    HG3  LYS   4           HG3      LYS   4   9.075  -5.621  -0.686
   48    HD2  LYS   4           HD2      LYS   4   8.282  -7.152   0.975
   49    HD3  LYS   4           HD3      LYS   4   9.072  -8.144  -0.257
   50    HE2  LYS   4           HE2      LYS   4   9.734  -8.884   1.982
   51    HE3  LYS   4           HE3      LYS   4  11.121  -8.212   1.141
   52    HZ1  LYS   4           HZ1      LYS   4  10.693  -6.094   2.379
   53    HZ2  LYS   4           HZ2      LYS   4  11.079  -7.399   3.369
   54    HZ3  LYS   4           HZ3      LYS   4   9.495  -6.908   3.239
   55    H    GLN   5           H        GLN   5  11.065  -3.238   0.070
   56    HA   GLN   5           HA       GLN   5  11.010  -1.573  -2.228
   57    HB2  GLN   5           HB2      GLN   5   8.643  -1.086  -2.097
   58    HB3  GLN   5           HB3      GLN   5   8.874  -2.796  -2.396
   59    HG2  GLN   5           HG2      GLN   5   8.515  -3.193   0.055
   60    HG3  GLN   5           HG3      GLN   5   8.106  -1.489   0.201
   61   HE21  GLN   5          HE21      GLN   5   6.814  -1.480  -2.453
   62   HE22  GLN   5          HE22      GLN   5   5.326  -2.327  -2.232
   63    H    SER   6           H        SER   6  10.568   0.570  -1.567
   64    HA   SER   6           HA       SER   6  11.720   1.170   0.963
   65    HB2  SER   6           HB2      SER   6  10.440   2.994  -1.077
   66    HB3  SER   6           HB3      SER   6  11.513   3.479   0.239
   67    HG   SER   6           HG       SER   6  12.621   3.226  -1.778
   68    H    TRP   7           H        TRP   7  10.687   2.661   2.496
   69    HA   TRP   7           HA       TRP   7   8.376   1.603   3.573
   70    HB2  TRP   7           HB2      TRP   7   8.277   3.601   5.062
   71    HB3  TRP   7           HB3      TRP   7   9.857   2.839   4.998
   72    HD1  TRP   7           HD1      TRP   7  11.838   4.270   3.848
   73    HE1  TRP   7           HE1      TRP   7  12.096   6.748   3.354
   74    HE3  TRP   7           HE3      TRP   7   6.971   5.721   4.436
   75    HZ2  TRP   7           HZ2      TRP   7  10.473   9.055   3.251
   76    HZ3  TRP   7           HZ3      TRP   7   6.415   8.098   4.137
   77    HH2  TRP   7           HH2      TRP   7   8.135   9.727   3.558
   78    H    TYR   8           H        TYR   8   8.607   4.439   1.546
   79    HA   TYR   8           HA       TYR   8   5.816   5.000   1.795
   80    HB2  TYR   8           HB2      TYR   8   6.134   6.734   0.082
   81    HB3  TYR   8           HB3      TYR   8   7.312   6.855   1.382
   82    HD1  TYR   8           HD1      TYR   8   6.797   6.056  -2.163
   83    HD2  TYR   8           HD2      TYR   8   9.663   6.507   0.937
   84    HE1  TYR   8           HE1      TYR   8   8.568   6.115  -3.837
   85    HE2  TYR   8           HE2      TYR   8  11.467   6.563  -0.744
   86    HH   TYR   8           HH       TYR   8  11.831   5.809  -3.058
   87    H    ALA   9           H        ALA   9   7.580   2.931  -0.141
   88    HA   ALA   9           HA       ALA   9   5.729   2.791  -2.314
   89    HB1  ALA   9           HB1      ALA   9   8.051   2.094  -2.670
   90    HB2  ALA   9           HB2      ALA   9   6.964   0.723  -2.936
   91    HB3  ALA   9           HB3      ALA   9   7.869   0.849  -1.435
   92    H    ALA  10           H        ALA  10   6.274   1.084   0.741
   93    HA   ALA  10           HA       ALA  10   4.220  -0.830   0.372
   94    HB1  ALA  10           HB1      ALA  10   6.130  -1.226   1.871
   95    HB2  ALA  10           HB2      ALA  10   4.603  -1.266   2.745
   96    HB3  ALA  10           HB3      ALA  10   5.645   0.159   2.846
   97    H    ALA  11           H        ALA  11   4.626   2.130   2.268
   98    HA   ALA  11           HA       ALA  11   2.058   2.314   3.323
   99    HB1  ALA  11           HB1      ALA  11   3.767   4.627   2.426
  100    HB2  ALA  11           HB2      ALA  11   3.952   3.790   3.964
  101    HB3  ALA  11           HB3      ALA  11   2.471   4.686   3.615
  102    H    GLY  12           H        GLY  12   3.209   3.535   0.226
  103    HA2  GLY  12           HA2      GLY  12   0.864   4.761  -0.617
  104    HA3  GLY  12           HA3      GLY  12   2.092   4.076  -1.676
  105    H    ASP  13           H        ASP  13   1.988   1.478  -1.322
  106    HA   ASP  13           HA       ASP  13  -0.398   0.766  -2.711
  107    HB2  ASP  13           HB2      ASP  13   1.799  -0.346  -3.090
  108    HB3  ASP  13           HB3      ASP  13   1.687  -1.045  -1.494
  109    H    ALA  14           H        ALA  14   0.793   0.155   0.423
  110    HA   ALA  14           HA       ALA  14  -1.128  -1.604   1.381
  111    HB1  ALA  14           HB1      ALA  14  -0.212  -1.161   3.584
  112    HB2  ALA  14           HB2      ALA  14   0.387   0.405   3.027
  113    HB3  ALA  14           HB3      ALA  14   1.120  -1.034   2.406
  114    H    ILE  15           H        ILE  15  -1.058   1.930   1.581
  115    HA   ILE  15           HA       ILE  15  -3.482   2.027   3.120
  116    HB   ILE  15           HB       ILE  15  -2.010   4.250   1.681
  117   HG12  ILE  15          HG12      ILE  15  -2.112   3.595   4.624
  118   HG13  ILE  15          HG13      ILE  15  -0.817   3.096   3.540
  119   HG21  ILE  15          HG21      ILE  15  -4.381   4.827   2.010
  120   HG22  ILE  15          HG22      ILE  15  -3.321   5.780   3.056
  121   HG23  ILE  15          HG23      ILE  15  -4.223   4.422   3.726
  122   HD11  ILE  15          HD11      ILE  15  -1.618   5.915   4.171
  123   HD12  ILE  15          HD12      ILE  15  -0.372   5.419   3.031
  124   HD13  ILE  15          HD13      ILE  15  -0.174   5.067   4.760
  125    H    VAL  16           H        VAL  16  -2.645   2.457  -0.206
  126    HA   VAL  16           HA       VAL  16  -5.257   3.147  -1.080
  127    HB   VAL  16           HB       VAL  16  -3.026   1.836  -2.692
  128   HG11  VAL  16          HG11      VAL  16  -5.207   1.434  -3.743
  129   HG12  VAL  16          HG12      VAL  16  -4.236   2.560  -4.693
  130   HG13  VAL  16          HG13      VAL  16  -5.553   3.165  -3.694
  131   HG21  VAL  16          HG21      VAL  16  -2.695   4.091  -3.614
  132   HG22  VAL  16          HG22      VAL  16  -2.417   4.025  -1.882
  133   HG23  VAL  16          HG23      VAL  16  -3.920   4.718  -2.508
  134    H    SER  17           H        SER  17  -3.679   0.137  -0.583
  135    HA   SER  17           HA       SER  17  -5.687  -1.576  -1.652
  136    HB2  SER  17           HB2      SER  17  -3.245  -2.186  -1.148
  137    HB3  SER  17           HB3      SER  17  -3.716  -2.253   0.541
  138    HG   SER  17           HG       SER  17  -4.430  -3.896  -1.587
  139    H    PHE  18           H        PHE  18  -5.082  -0.113   1.424
  140    HA   PHE  18           HA       PHE  18  -7.056  -1.404   2.946
  141    HB2  PHE  18           HB2      PHE  18  -5.258   0.786   3.241
  142    HB3  PHE  18           HB3      PHE  18  -6.839   1.253   3.847
  143    HD1  PHE  18           HD1      PHE  18  -7.953  -0.361   5.421
  144    HD2  PHE  18           HD2      PHE  18  -3.827  -0.464   4.512
  145    HE1  PHE  18           HE1      PHE  18  -7.552  -1.618   7.498
  146    HE2  PHE  18           HE2      PHE  18  -3.384  -1.735   6.575
  147    HZ   PHE  18           HZ       PHE  18  -5.249  -2.320   8.076
  148    H    GLY  19           H        GLY  19  -7.131   1.548   1.046
  149    HA2  GLY  19           HA2      GLY  19  -9.805   2.286   1.456
  150    HA3  GLY  19           HA3      GLY  19  -8.866   2.656   0.008
  151    H    GLU  20           H        GLU  20  -8.391   0.291  -1.108
  152    HA   GLU  20           HA       GLU  20 -10.794  -0.475  -2.331
  153    HB2  GLU  20           HB2      GLU  20  -8.080  -1.747  -2.218
  154    HB3  GLU  20           HB3      GLU  20  -9.375  -2.430  -3.179
  155    HG2  GLU  20           HG2      GLU  20  -8.212   0.328  -3.501
  156    HG3  GLU  20           HG3      GLU  20  -7.833  -1.077  -4.498
  157    H    GLY  21           H        GLY  21  -9.066  -1.703   0.340
  158    HA2  GLY  21           HA2      GLY  21 -10.417  -4.157   0.702
  159    HA3  GLY  21           HA3      GLY  21  -9.525  -3.292   1.950
  160    H    PHE  22           H        PHE  22 -11.122  -0.918   1.623
  161    HA   PHE  22           HA       PHE  22 -13.355  -1.626   3.279
  162    HB2  PHE  22           HB2      PHE  22 -12.222   0.459   3.724
  163    HB3  PHE  22           HB3      PHE  22 -12.456   0.987   2.061
  164    HD1  PHE  22           HD1      PHE  22 -14.356   0.010   5.090
  165    HD2  PHE  22           HD2      PHE  22 -14.218   2.371   1.578
  166    HE1  PHE  22           HE1      PHE  22 -16.397   1.192   5.813
  167    HE2  PHE  22           HE2      PHE  22 -16.260   3.550   2.263
  168    HZ   PHE  22           HZ       PHE  22 -17.356   2.952   4.402
  169    H    LEU  23           H        LEU  23 -12.850  -0.429   0.004
  170    HA   LEU  23           HA       LEU  23 -15.555  -0.080  -0.657
  171    HB2  LEU  23           HB2      LEU  23 -13.225  -0.521  -2.497
  172    HB3  LEU  23           HB3      LEU  23 -14.780   0.116  -2.975
  173    HG   LEU  23           HG       LEU  23 -12.743   1.433  -1.190
  174   HD11  LEU  23          HD11      LEU  23 -13.813   2.178  -3.896
  175   HD12  LEU  23          HD12      LEU  23 -12.200   1.536  -3.526
  176   HD13  LEU  23          HD13      LEU  23 -12.683   3.120  -2.918
  177   HD21  LEU  23          HD21      LEU  23 -14.944   1.908  -0.339
  178   HD22  LEU  23          HD22      LEU  23 -15.489   2.398  -1.958
  179   HD23  LEU  23          HD23      LEU  23 -14.248   3.330  -1.116
  180    H    ASN  24           H        ASN  24 -13.901  -2.930  -0.240
  181    HA   ASN  24           HA       ASN  24 -14.943  -4.623  -2.215
  182    HB2  ASN  24           HB2      ASN  24 -14.315  -6.476  -0.884
  183    HB3  ASN  24           HB3      ASN  24 -13.157  -5.227  -0.506
  184   HD21  ASN  24          HD21      ASN  24 -14.949  -3.770   1.475
  185   HD22  ASN  24          HD22      ASN  24 -15.001  -4.851   2.801
  186    H    ALA  25           H        ALA  25 -16.605  -3.066   0.318
  187    HA   ALA  25           HA       ALA  25 -18.830  -4.964   0.165
  188    HB1  ALA  25           HB1      ALA  25 -18.084  -2.994   2.312
  189    HB2  ALA  25           HB2      ALA  25 -17.866  -4.739   2.397
  190    HB3  ALA  25           HB3      ALA  25 -19.489  -4.053   2.347
  191    H    TRP  26           H        TRP  26 -17.878  -2.286  -1.347
  192    HA   TRP  26           HA       TRP  26 -20.481  -1.016  -1.167
  193    HB2  TRP  26           HB2      TRP  26 -17.780   0.363  -1.256
  194    HB3  TRP  26           HB3      TRP  26 -19.322   1.183  -1.487
  195    HD1  TRP  26           HD1      TRP  26 -17.193  -0.477   1.239
  196    HE1  TRP  26           HE1      TRP  26 -18.154   0.173   3.533
  197    HE3  TRP  26           HE3      TRP  26 -21.436   1.939  -0.285
  198    HZ2  TRP  26           HZ2      TRP  26 -20.371   1.524   4.560
  199    HZ3  TRP  26           HZ3      TRP  26 -22.918   2.874   1.430
  200    HH2  TRP  26           HH2      TRP  26 -22.398   2.678   3.794
  Start of MODEL   10
    1    H1   LYS   1           HT1      LYS   1 -13.123   3.577   5.057
    2    H2   LYS   1           HT2      LYS   1 -13.572   2.913   6.546
    3    H3   LYS   1           HT3      LYS   1 -14.736   3.249   5.368
    4    HA   LYS   1           HA       LYS   1 -12.544   1.318   5.033
    5    HB2  LYS   1           HB2      LYS   1 -14.310  -0.426   5.160
    6    HB3  LYS   1           HB3      LYS   1 -14.112   0.430   6.677
    7    HG2  LYS   1           HG2      LYS   1 -16.063   1.846   6.037
    8    HG3  LYS   1           HG3      LYS   1 -16.328   0.778   4.657
    9    HD2  LYS   1           HD2      LYS   1 -16.606  -1.104   6.229
   10    HD3  LYS   1           HD3      LYS   1 -16.349   0.014   7.569
   11    HE2  LYS   1           HE2      LYS   1 -18.288   1.344   6.725
   12    HE3  LYS   1           HE3      LYS   1 -18.607   0.050   5.583
   13    HZ1  LYS   1           HZ1      LYS   1 -18.875  -1.473   7.437
   14    HZ2  LYS   1           HZ2      LYS   1 -19.932  -0.157   7.538
   15    HZ3  LYS   1           HZ3      LYS   1 -18.558  -0.207   8.514
   16    H    LYS   2           H        LYS   2 -14.586   3.499   3.469
   17    HA   LYS   2           HA       LYS   2 -14.013   2.111   1.021
   18    HB2  LYS   2           HB2      LYS   2 -16.325   1.426   1.707
   19    HB3  LYS   2           HB3      LYS   2 -16.792   3.121   1.648
   20    HG2  LYS   2           HG2      LYS   2 -17.512   2.067  -0.374
   21    HG3  LYS   2           HG3      LYS   2 -16.190   3.161  -0.765
   22    HD2  LYS   2           HD2      LYS   2 -14.629   1.224  -0.701
   23    HD3  LYS   2           HD3      LYS   2 -16.012   0.175  -0.408
   24    HE2  LYS   2           HE2      LYS   2 -16.980   0.936  -2.563
   25    HE3  LYS   2           HE3      LYS   2 -15.519   1.880  -2.841
   26    HZ1  LYS   2           HZ1      LYS   2 -15.662  -1.053  -2.515
   27    HZ2  LYS   2           HZ2      LYS   2 -14.232  -0.164  -2.784
   28    HZ3  LYS   2           HZ3      LYS   2 -15.422  -0.233  -3.961
   29    H    LYS   3           H        LYS   3 -12.710   3.655   0.324
   30    HA   LYS   3           HA       LYS   3 -13.597   6.446   0.317
   31    HB2  LYS   3           HB2      LYS   3 -10.930   5.264  -0.554
   32    HB3  LYS   3           HB3      LYS   3 -11.320   6.972  -0.468
   33    HG2  LYS   3           HG2      LYS   3 -11.196   5.108   1.889
   34    HG3  LYS   3           HG3      LYS   3  -9.924   6.219   1.391
   35    HD2  LYS   3           HD2      LYS   3 -11.509   8.077   1.672
   36    HD3  LYS   3           HD3      LYS   3 -12.708   6.929   2.268
   37    HE2  LYS   3           HE2      LYS   3 -11.604   7.989   4.136
   38    HE3  LYS   3           HE3      LYS   3 -11.188   6.280   4.075
   39    HZ1  LYS   3           HZ1      LYS   3  -9.477   8.522   3.130
   40    HZ2  LYS   3           HZ2      LYS   3  -9.062   6.899   3.029
   41    HZ3  LYS   3           HZ3      LYS   3  -9.241   7.626   4.524
   42    H    LYS   4           H        LYS   4 -11.730   4.650  -2.025
   43    HA   LYS   4           HA       LYS   4 -13.753   4.859  -4.090
   44    HB2  LYS   4           HB2      LYS   4 -12.184   6.025  -5.643
   45    HB3  LYS   4           HB3      LYS   4 -12.605   7.036  -4.268
   46    HG2  LYS   4           HG2      LYS   4 -10.440   6.343  -3.216
   47    HG3  LYS   4           HG3      LYS   4 -10.044   5.528  -4.724
   48    HD2  LYS   4           HD2      LYS   4 -10.654   8.490  -4.494
   49    HD3  LYS   4           HD3      LYS   4  -9.036   7.813  -4.436
   50    HE2  LYS   4           HE2      LYS   4  -9.336   8.606  -6.653
   51    HE3  LYS   4           HE3      LYS   4  -9.497   6.858  -6.738
   52    HZ1  LYS   4           HZ1      LYS   4 -11.862   7.085  -6.952
   53    HZ2  LYS   4           HZ2      LYS   4 -11.136   8.078  -8.068
   54    HZ3  LYS   4           HZ3      LYS   4 -11.793   8.742  -6.668
   55    H    GLN   5           H        GLN   5 -11.993   2.995  -2.392
   56    HA   GLN   5           HA       GLN   5 -10.870   1.411  -4.533
   57    HB2  GLN   5           HB2      GLN   5  -9.732   2.073  -1.824
   58    HB3  GLN   5           HB3      GLN   5  -9.119   0.792  -2.847
   59    HG2  GLN   5           HG2      GLN   5  -8.317   2.350  -4.456
   60    HG3  GLN   5           HG3      GLN   5  -9.196   3.672  -3.694
   61   HE21  GLN   5          HE21      GLN   5  -6.411   1.516  -3.372
   62   HE22  GLN   5          HE22      GLN   5  -5.661   2.464  -2.154
   63    H    SER   6           H        SER   6 -10.950  -0.733  -3.957
   64    HA   SER   6           HA       SER   6 -12.821  -1.431  -1.833
   65    HB2  SER   6           HB2      SER   6 -11.645  -3.120  -4.044
   66    HB3  SER   6           HB3      SER   6 -12.968  -3.584  -2.971
   67    HG   SER   6           HG       SER   6 -12.923  -1.661  -5.023
   68    H    TRP   7           H        TRP   7 -12.134  -3.576  -0.713
   69    HA   TRP   7           HA       TRP   7  -9.983  -3.056   0.863
   70    HB2  TRP   7           HB2      TRP   7 -10.150  -5.412   1.639
   71    HB3  TRP   7           HB3      TRP   7 -11.703  -4.579   1.576
   72    HD1  TRP   7           HD1      TRP   7 -13.436  -5.417  -0.355
   73    HE1  TRP   7           HE1      TRP   7 -13.610  -7.634  -1.617
   74    HE3  TRP   7           HE3      TRP   7  -8.818  -7.304   0.696
   75    HZ2  TRP   7           HZ2      TRP   7 -12.006  -9.891  -2.104
   76    HZ3  TRP   7           HZ3      TRP   7  -8.212  -9.516  -0.216
   77    HH2  TRP   7           HH2      TRP   7  -9.780 -10.779  -1.584
   78    H    TYR   8           H        TYR   8 -10.024  -5.042  -1.999
   79    HA   TYR   8           HA       TYR   8  -7.330  -5.903  -1.723
   80    HB2  TYR   8           HB2      TYR   8  -7.613  -6.702  -4.134
   81    HB3  TYR   8           HB3      TYR   8  -8.732  -7.377  -2.959
   82    HD1  TYR   8           HD1      TYR   8  -8.400  -4.906  -5.712
   83    HD2  TYR   8           HD2      TYR   8 -11.052  -7.061  -3.187
   84    HE1  TYR   8           HE1      TYR   8 -10.285  -4.213  -7.108
   85    HE2  TYR   8           HE2      TYR   8 -12.944  -6.374  -4.580
   86    HH   TYR   8           HH       TYR   8 -12.461  -4.890  -7.629
   87    H    ALA   9           H        ALA   9  -8.843  -3.299  -3.251
   88    HA   ALA   9           HA       ALA   9  -6.641  -2.540  -4.925
   89    HB1  ALA   9           HB1      ALA   9  -8.911  -1.934  -5.527
   90    HB2  ALA   9           HB2      ALA   9  -7.907  -0.486  -5.336
   91    HB3  ALA   9           HB3      ALA   9  -9.049  -0.948  -4.072
   92    H    ALA  10           H        ALA  10  -7.781  -1.726  -1.716
   93    HA   ALA  10           HA       ALA  10  -5.916   0.326  -1.308
   94    HB1  ALA  10           HB1      ALA  10  -7.435  -1.404   0.624
   95    HB2  ALA  10           HB2      ALA  10  -7.979   0.154  -0.014
   96    HB3  ALA  10           HB3      ALA  10  -6.561   0.075   1.041
   97    H    ALA  11           H        ALA  11  -6.225  -3.055  -0.294
   98    HA   ALA  11           HA       ALA  11  -3.813  -3.281   1.079
   99    HB1  ALA  11           HB1      ALA  11  -5.631  -4.935   1.173
  100    HB2  ALA  11           HB2      ALA  11  -4.055  -5.668   0.866
  101    HB3  ALA  11           HB3      ALA  11  -5.208  -5.469  -0.454
  102    H    GLY  12           H        GLY  12  -4.385  -4.000  -2.329
  103    HA2  GLY  12           HA2      GLY  12  -1.812  -4.843  -2.933
  104    HA3  GLY  12           HA3      GLY  12  -2.917  -4.106  -4.087
  105    H    ASP  13           H        ASP  13  -3.204  -1.640  -3.319
  106    HA   ASP  13           HA       ASP  13  -0.853  -0.348  -4.188
  107    HB2  ASP  13           HB2      ASP  13  -3.148   0.512  -4.544
  108    HB3  ASP  13           HB3      ASP  13  -3.271   0.816  -2.829
  109    H    ALA  14           H        ALA  14  -2.413  -0.503  -1.153
  110    HA   ALA  14           HA       ALA  14  -0.800   1.179   0.370
  111    HB1  ALA  14           HB1      ALA  14  -2.298  -1.233   1.380
  112    HB2  ALA  14           HB2      ALA  14  -3.051   0.269   0.983
  113    HB3  ALA  14           HB3      ALA  14  -1.862   0.212   2.313
  114    H    ILE  15           H        ILE  15  -0.565  -2.307  -0.158
  115    HA   ILE  15           HA       ILE  15   1.629  -2.567   1.650
  116    HB   ILE  15           HB       ILE  15   0.497  -4.502  -0.372
  117   HG12  ILE  15          HG12      ILE  15   0.406  -4.480   2.636
  118   HG13  ILE  15          HG13      ILE  15  -0.884  -3.905   1.573
  119   HG21  ILE  15          HG21      ILE  15   2.631  -5.026   1.688
  120   HG22  ILE  15          HG22      ILE  15   2.877  -5.019  -0.064
  121   HG23  ILE  15          HG23      ILE  15   1.851  -6.249   0.684
  122   HD11  ILE  15          HD11      ILE  15  -1.341  -6.127   2.383
  123   HD12  ILE  15          HD12      ILE  15   0.215  -6.666   1.711
  124   HD13  ILE  15          HD13      ILE  15  -1.069  -6.102   0.624
  125    H    VAL  16           H        VAL  16   1.326  -2.414  -1.776
  126    HA   VAL  16           HA       VAL  16   4.063  -2.683  -2.366
  127    HB   VAL  16           HB       VAL  16   2.018  -1.060  -3.930
  128   HG11  VAL  16          HG11      VAL  16   4.278  -0.324  -4.498
  129   HG12  VAL  16          HG12      VAL  16   3.568  -1.236  -5.833
  130   HG13  VAL  16          HG13      VAL  16   4.763  -1.996  -4.793
  131   HG21  VAL  16          HG21      VAL  16   3.040  -3.877  -4.326
  132   HG22  VAL  16          HG22      VAL  16   1.966  -3.007  -5.426
  133   HG23  VAL  16          HG23      VAL  16   1.422  -3.397  -3.809
  134    H    SER  17           H        SER  17   2.197   0.139  -1.622
  135    HA   SER  17           HA       SER  17   4.390   1.952  -1.871
  136    HB2  SER  17           HB2      SER  17   1.961   2.625  -2.076
  137    HB3  SER  17           HB3      SER  17   1.831   2.423  -0.333
  138    HG   SER  17           HG       SER  17   2.927   4.209  -0.020
  139    H    PHE  18           H        PHE  18   3.046   0.068   0.713
  140    HA   PHE  18           HA       PHE  18   4.335   1.203   2.934
  141    HB2  PHE  18           HB2      PHE  18   2.474  -0.614   2.709
  142    HB3  PHE  18           HB3      PHE  18   3.798  -1.735   2.563
  143    HD1  PHE  18           HD1      PHE  18   1.499  -0.557   4.710
  144    HD2  PHE  18           HD2      PHE  18   5.674  -1.245   4.541
  145    HE1  PHE  18           HE1      PHE  18   1.555  -0.718   7.161
  146    HE2  PHE  18           HE2      PHE  18   5.759  -1.419   7.001
  147    HZ   PHE  18           HZ       PHE  18   3.693  -1.161   8.312
  148    H    GLY  19           H        GLY  19   5.158  -1.476   0.776
  149    HA2  GLY  19           HA2      GLY  19   7.627  -2.120   1.905
  150    HA3  GLY  19           HA3      GLY  19   7.126  -2.504   0.255
  151    H    GLU  20           H        GLU  20   6.797  -0.029  -0.818
  152    HA   GLU  20           HA       GLU  20   9.449   0.672  -1.418
  153    HB2  GLU  20           HB2      GLU  20   6.840   2.029  -2.049
  154    HB3  GLU  20           HB3      GLU  20   8.368   2.600  -2.679
  155    HG2  GLU  20           HG2      GLU  20   7.066  -0.066  -3.219
  156    HG3  GLU  20           HG3      GLU  20   7.271   1.276  -4.340
  157    H    GLY  21           H        GLY  21   7.200   1.835   0.834
  158    HA2  GLY  21           HA2      GLY  21   8.320   4.318   1.529
  159    HA3  GLY  21           HA3      GLY  21   7.377   3.277   2.603
  160    H    PHE  22           H        PHE  22   9.007   1.094   2.528
  161    HA   PHE  22           HA       PHE  22  11.145   1.906   4.262
  162    HB2  PHE  22           HB2      PHE  22   9.934  -0.111   4.809
  163    HB3  PHE  22           HB3      PHE  22  10.327  -0.813   3.238
  164    HD1  PHE  22           HD1      PHE  22  11.980  -2.405   3.243
  165    HD2  PHE  22           HD2      PHE  22  12.120   0.703   6.130
  166    HE1  PHE  22           HE1      PHE  22  13.997  -3.407   4.200
  167    HE2  PHE  22           HE2      PHE  22  14.151  -0.305   7.121
  168    HZ   PHE  22           HZ       PHE  22  15.091  -2.365   6.146
  169    H    LEU  23           H        LEU  23  10.835   0.409   1.089
  170    HA   LEU  23           HA       LEU  23  13.573  -0.051   0.653
  171    HB2  LEU  23           HB2      LEU  23  11.392   0.110  -1.414
  172    HB3  LEU  23           HB3      LEU  23  12.985  -0.566  -1.643
  173    HG   LEU  23           HG       LEU  23  10.821  -1.650   0.147
  174   HD11  LEU  23          HD11      LEU  23  10.473  -2.136  -2.188
  175   HD12  LEU  23          HD12      LEU  23  10.936  -3.594  -1.305
  176   HD13  LEU  23          HD13      LEU  23  12.120  -2.756  -2.311
  177   HD21  LEU  23          HD21      LEU  23  13.644  -2.600  -0.242
  178   HD22  LEU  23          HD22      LEU  23  12.382  -3.485   0.628
  179   HD23  LEU  23          HD23      LEU  23  12.959  -1.935   1.243
  180    H    ASN  24           H        ASN  24  12.000   2.868   0.505
  181    HA   ASN  24           HA       ASN  24  13.522   4.128  -1.522
  182    HB2  ASN  24           HB2      ASN  24  12.806   6.223  -0.685
  183    HB3  ASN  24           HB3      ASN  24  11.472   5.131  -0.386
  184   HD21  ASN  24          HD21      ASN  24  12.803   3.961   2.137
  185   HD22  ASN  24          HD22      ASN  24  12.656   5.230   3.261
  186    H    ALA  25           H        ALA  25  14.502   2.929   1.476
  187    HA   ALA  25           HA       ALA  25  16.917   4.609   1.544
  188    HB1  ALA  25           HB1      ALA  25  15.511   4.810   3.549
  189    HB2  ALA  25           HB2      ALA  25  17.049   4.035   3.926
  190    HB3  ALA  25           HB3      ALA  25  15.584   3.066   3.777
  191    H    TRP  26           H        TRP  26  16.261   2.282  -0.051
  192    HA   TRP  26           HA       TRP  26  17.215  -0.141   0.675
  193    HB2  TRP  26           HB2      TRP  26  17.691  -0.541  -1.740
  194    HB3  TRP  26           HB3      TRP  26  16.103   0.142  -1.445
  195    HD1  TRP  26           HD1      TRP  26  16.043   2.994  -1.919
  196    HE1  TRP  26           HE1      TRP  26  17.131   4.265  -3.878
  197    HE3  TRP  26           HE3      TRP  26  19.437  -0.517  -3.396
  198    HZ2  TRP  26           HZ2      TRP  26  19.135   3.833  -5.781
  199    HZ3  TRP  26           HZ3      TRP  26  20.901  -0.013  -5.306
  200    HH2  TRP  26           HH2      TRP  26  20.741   2.126  -6.475
  Start of MODEL   11
    1    H1   LYS   1           HT1      LYS   1  17.044   5.675  -6.825
    2    H2   LYS   1           HT2      LYS   1  17.294   5.479  -5.158
    3    H3   LYS   1           HT3      LYS   1  15.884   6.154  -5.704
    4    HA   LYS   1           HA       LYS   1  15.179   4.148  -6.719
    5    HB2  LYS   1           HB2      LYS   1  17.767   3.002  -5.621
    6    HB3  LYS   1           HB3      LYS   1  16.455   2.062  -6.312
    7    HG2  LYS   1           HG2      LYS   1  16.789   3.080  -8.460
    8    HG3  LYS   1           HG3      LYS   1  17.989   4.166  -7.781
    9    HD2  LYS   1           HD2      LYS   1  19.161   2.444  -8.939
   10    HD3  LYS   1           HD3      LYS   1  19.395   2.215  -7.216
   11    HE2  LYS   1           HE2      LYS   1  17.347   0.669  -8.819
   12    HE3  LYS   1           HE3      LYS   1  19.009   0.142  -8.628
   13    HZ1  LYS   1           HZ1      LYS   1  17.619  -0.969  -7.090
   14    HZ2  LYS   1           HZ2      LYS   1  17.035   0.431  -6.381
   15    HZ3  LYS   1           HZ3      LYS   1  18.659   0.004  -6.240
   16    H    LYS   2           H        LYS   2  17.055   3.999  -3.669
   17    HA   LYS   2           HA       LYS   2  14.829   2.693  -2.383
   18    HB2  LYS   2           HB2      LYS   2  17.232   2.121  -1.894
   19    HB3  LYS   2           HB3      LYS   2  17.410   3.720  -1.190
   20    HG2  LYS   2           HG2      LYS   2  15.737   3.163   0.499
   21    HG3  LYS   2           HG3      LYS   2  15.579   1.546  -0.198
   22    HD2  LYS   2           HD2      LYS   2  17.953   1.136   0.268
   23    HD3  LYS   2           HD3      LYS   2  18.073   2.744   0.988
   24    HE2  LYS   2           HE2      LYS   2  16.350   2.079   2.640
   25    HE3  LYS   2           HE3      LYS   2  16.356   0.469   1.929
   26    HZ1  LYS   2           HZ1      LYS   2  18.668   0.220   2.573
   27    HZ2  LYS   2           HZ2      LYS   2  17.744   0.622   3.913
   28    HZ3  LYS   2           HZ3      LYS   2  18.693   1.787   3.184
   29    H    LYS   3           H        LYS   3  13.203   4.046  -2.277
   30    HA   LYS   3           HA       LYS   3  13.485   6.841  -1.752
   31    HB2  LYS   3           HB2      LYS   3  10.966   5.176  -1.862
   32    HB3  LYS   3           HB3      LYS   3  11.072   6.927  -2.017
   33    HG2  LYS   3           HG2      LYS   3  12.340   6.683  -4.071
   34    HG3  LYS   3           HG3      LYS   3  12.313   4.933  -3.913
   35    HD2  LYS   3           HD2      LYS   3  10.656   5.520  -5.509
   36    HD3  LYS   3           HD3      LYS   3   9.818   5.048  -4.045
   37    HE2  LYS   3           HE2      LYS   3   9.435   7.344  -3.447
   38    HE3  LYS   3           HE3      LYS   3  10.407   7.894  -4.812
   39    HZ1  LYS   3           HZ1      LYS   3   7.857   6.382  -5.005
   40    HZ2  LYS   3           HZ2      LYS   3   8.757   6.936  -6.314
   41    HZ3  LYS   3           HZ3      LYS   3   8.036   8.028  -5.263
   42    H    LYS   4           H        LYS   4  11.402   4.518  -0.024
   43    HA   LYS   4           HA       LYS   4  12.635   5.127   2.461
   44    HB2  LYS   4           HB2      LYS   4  10.557   6.000   3.567
   45    HB3  LYS   4           HB3      LYS   4  11.285   7.112   2.422
   46    HG2  LYS   4           HG2      LYS   4   9.591   6.552   0.776
   47    HG3  LYS   4           HG3      LYS   4   8.908   5.347   1.853
   48    HD2  LYS   4           HD2      LYS   4   7.562   7.316   1.958
   49    HD3  LYS   4           HD3      LYS   4   8.418   7.162   3.487
   50    HE2  LYS   4           HE2      LYS   4  10.057   8.839   2.743
   51    HE3  LYS   4           HE3      LYS   4   9.227   8.950   1.194
   52    HZ1  LYS   4           HZ1      LYS   4   8.583  10.758   2.656
   53    HZ2  LYS   4           HZ2      LYS   4   8.061   9.669   3.823
   54    HZ3  LYS   4           HZ3      LYS   4   7.270   9.749   2.358
   55    H    GLN   5           H        GLN   5   9.773   3.796   0.945
   56    HA   GLN   5           HA       GLN   5   9.817   1.675   2.944
   57    HB2  GLN   5           HB2      GLN   5   7.593   2.493   1.048
   58    HB3  GLN   5           HB3      GLN   5   7.490   1.181   2.201
   59    HG2  GLN   5           HG2      GLN   5   7.669   2.669   4.044
   60    HG3  GLN   5           HG3      GLN   5   7.993   4.044   3.003
   61   HE21  GLN   5          HE21      GLN   5   5.513   1.571   2.451
   62   HE22  GLN   5          HE22      GLN   5   4.173   2.636   2.691
   63    H    SER   6           H        SER   6  11.131   0.140   2.265
   64    HA   SER   6           HA       SER   6  11.783  -0.619  -0.322
   65    HB2  SER   6           HB2      SER   6  11.673  -2.372   2.122
   66    HB3  SER   6           HB3      SER   6  12.786  -2.476   0.754
   67    HG   SER   6           HG       SER   6  13.991  -1.000   1.632
   68    H    TRP   7           H        TRP   7  11.284  -2.996  -1.147
   69    HA   TRP   7           HA       TRP   7   8.712  -3.058  -2.050
   70    HB2  TRP   7           HB2      TRP   7   9.169  -5.394  -2.777
   71    HB3  TRP   7           HB3      TRP   7  10.494  -4.291  -3.147
   72    HD1  TRP   7           HD1      TRP   7  12.754  -4.630  -1.722
   73    HE1  TRP   7           HE1      TRP   7  13.690  -6.671  -0.507
   74    HE3  TRP   7           HE3      TRP   7   8.499  -7.383  -1.456
   75    HZ2  TRP   7           HZ2      TRP   7  12.740  -9.156   0.449
   76    HZ3  TRP   7           HZ3      TRP   7   8.563  -9.567  -0.378
   77    HH2  TRP   7           HH2      TRP   7  10.658 -10.457   0.562
   78    H    TYR   8           H        TYR   8   9.967  -4.674   0.758
   79    HA   TYR   8           HA       TYR   8   7.526  -6.070   1.317
   80    HB2  TYR   8           HB2      TYR   8   8.638  -6.616   3.541
   81    HB3  TYR   8           HB3      TYR   8   9.465  -7.188   2.103
   82    HD1  TYR   8           HD1      TYR   8   9.528  -4.584   4.738
   83    HD2  TYR   8           HD2      TYR   8  11.673  -6.490   1.607
   84    HE1  TYR   8           HE1      TYR   8  11.578  -3.475   5.487
   85    HE2  TYR   8           HE2      TYR   8  13.743  -5.379   2.339
   86    HH   TYR   8           HH       TYR   8  13.966  -3.778   5.326
   87    H    ALA   9           H        ALA   9   8.903  -3.149   2.309
   88    HA   ALA   9           HA       ALA   9   7.146  -2.659   4.509
   89    HB1  ALA   9           HB1      ALA   9   8.061  -0.348   4.450
   90    HB2  ALA   9           HB2      ALA   9   8.884  -0.745   2.942
   91    HB3  ALA   9           HB3      ALA   9   9.329  -1.574   4.436
   92    H    ALA  10           H        ALA  10   7.288  -1.791   1.083
   93    HA   ALA  10           HA       ALA  10   5.034  -0.166   1.047
   94    HB1  ALA  10           HB1      ALA  10   6.734  -0.088  -0.704
   95    HB2  ALA  10           HB2      ALA  10   5.154  -0.490  -1.380
   96    HB3  ALA  10           HB3      ALA  10   6.363  -1.753  -1.146
   97    H    ALA  11           H        ALA  11   5.630  -3.588   0.290
   98    HA   ALA  11           HA       ALA  11   3.048  -4.266  -0.472
   99    HB1  ALA  11           HB1      ALA  11   4.968  -6.037   1.030
  100    HB2  ALA  11           HB2      ALA  11   4.977  -5.763  -0.707
  101    HB3  ALA  11           HB3      ALA  11   3.596  -6.563   0.055
  102    H    GLY  12           H        GLY  12   4.389  -4.215   2.779
  103    HA2  GLY  12           HA2      GLY  12   2.100  -5.205   4.058
  104    HA3  GLY  12           HA3      GLY  12   3.353  -4.219   4.813
  105    H    ASP  13           H        ASP  13   3.234  -1.912   3.609
  106    HA   ASP  13           HA       ASP  13   1.049  -0.646   4.874
  107    HB2  ASP  13           HB2      ASP  13   3.199   0.390   4.824
  108    HB3  ASP  13           HB3      ASP  13   3.263   0.314   3.079
  109    H    ALA  14           H        ALA  14   1.881  -1.053   1.580
  110    HA   ALA  14           HA       ALA  14  -0.184   0.443   0.373
  111    HB1  ALA  14           HB1      ALA  14   1.272  -1.886  -0.860
  112    HB2  ALA  14           HB2      ALA  14   1.977  -0.322  -0.676
  113    HB3  ALA  14           HB3      ALA  14   0.545  -0.515  -1.716
  114    H    ILE  15           H        ILE  15  -0.038  -2.980   1.209
  115    HA   ILE  15           HA       ILE  15  -2.546  -3.525  -0.092
  116    HB   ILE  15           HB       ILE  15  -0.943  -5.227   1.839
  117   HG12  ILE  15          HG12      ILE  15  -1.333  -5.537  -1.139
  118   HG13  ILE  15          HG13      ILE  15   0.076  -4.780  -0.400
  119   HG21  ILE  15          HG21      ILE  15  -3.364  -5.995   0.210
  120   HG22  ILE  15          HG22      ILE  15  -3.300  -5.870   1.969
  121   HG23  ILE  15          HG23      ILE  15  -2.354  -7.108   1.129
  122   HD11  ILE  15          HD11      ILE  15   0.541  -6.816   0.776
  123   HD12  ILE  15          HD12      ILE  15   0.558  -7.072  -0.980
  124   HD13  ILE  15          HD13      ILE  15  -0.826  -7.613   0.001
  125    H    VAL  16           H        VAL  16  -1.554  -2.923   3.136
  126    HA   VAL  16           HA       VAL  16  -4.096  -3.269   4.317
  127    HB   VAL  16           HB       VAL  16  -1.924  -1.346   5.219
  128   HG11  VAL  16          HG11      VAL  16  -3.033  -1.423   7.415
  129   HG12  VAL  16          HG12      VAL  16  -4.351  -2.366   6.712
  130   HG13  VAL  16          HG13      VAL  16  -4.055  -0.714   6.168
  131   HG21  VAL  16          HG21      VAL  16  -2.549  -4.169   6.119
  132   HG22  VAL  16          HG22      VAL  16  -1.371  -3.095   6.879
  133   HG23  VAL  16          HG23      VAL  16  -1.119  -3.628   5.231
  134    H    SER  17           H        SER  17  -2.629  -0.445   2.909
  135    HA   SER  17           HA       SER  17  -4.885   1.210   3.335
  136    HB2  SER  17           HB2      SER  17  -2.440   1.532   1.630
  137    HB3  SER  17           HB3      SER  17  -3.706   2.765   1.735
  138    HG   SER  17           HG       SER  17  -3.350   2.351   4.128
  139    H    PHE  18           H        PHE  18  -4.007  -1.014   0.900
  140    HA   PHE  18           HA       PHE  18  -5.732  -0.220  -1.177
  141    HB2  PHE  18           HB2      PHE  18  -3.879  -2.030  -1.038
  142    HB3  PHE  18           HB3      PHE  18  -5.128  -3.061  -0.391
  143    HD1  PHE  18           HD1      PHE  18  -7.413  -2.877  -1.905
  144    HD2  PHE  18           HD2      PHE  18  -3.426  -2.350  -3.213
  145    HE1  PHE  18           HE1      PHE  18  -8.094  -3.524  -4.179
  146    HE2  PHE  18           HE2      PHE  18  -4.075  -2.989  -5.508
  147    HZ   PHE  18           HZ       PHE  18  -6.419  -3.581  -5.991
  148    H    GLY  19           H        GLY  19  -6.077  -2.285   1.667
  149    HA2  GLY  19           HA2      GLY  19  -8.785  -2.992   1.327
  150    HA3  GLY  19           HA3      GLY  19  -7.882  -3.025   2.839
  151    H    GLU  20           H        GLU  20  -7.186  -0.347   3.066
  152    HA   GLU  20           HA       GLU  20  -9.457   0.838   4.193
  153    HB2  GLU  20           HB2      GLU  20  -6.943   2.206   3.207
  154    HB3  GLU  20           HB3      GLU  20  -8.144   2.899   4.282
  155    HG2  GLU  20           HG2      GLU  20  -7.613   1.261   5.976
  156    HG3  GLU  20           HG3      GLU  20  -6.424   0.516   4.909
  157    H    GLY  21           H        GLY  21  -7.886   1.313   1.191
  158    HA2  GLY  21           HA2      GLY  21  -9.491   3.331   0.057
  159    HA3  GLY  21           HA3      GLY  21  -8.544   2.144  -0.849
  160    H    PHE  22           H        PHE  22  -9.731  -0.126  -0.066
  161    HA   PHE  22           HA       PHE  22 -11.893  -0.443  -1.810
  162    HB2  PHE  22           HB2      PHE  22 -10.572  -2.353  -1.275
  163    HB3  PHE  22           HB3      PHE  22 -10.830  -2.127   0.447
  164    HD1  PHE  22           HD1      PHE  22 -12.594  -3.130   1.548
  165    HD2  PHE  22           HD2      PHE  22 -12.511  -3.180  -2.707
  166    HE1  PHE  22           HE1      PHE  22 -14.425  -4.723   1.553
  167    HE2  PHE  22           HE2      PHE  22 -14.356  -4.805  -2.719
  168    HZ   PHE  22           HZ       PHE  22 -15.323  -5.580  -0.592
  169    H    LEU  23           H        LEU  23 -11.876   0.316   1.582
  170    HA   LEU  23           HA       LEU  23 -14.622  -0.160   2.081
  171    HB2  LEU  23           HB2      LEU  23 -12.754   1.684   3.563
  172    HB3  LEU  23           HB3      LEU  23 -14.322   1.133   4.129
  173    HG   LEU  23           HG       LEU  23 -11.864  -0.554   3.685
  174   HD11  LEU  23          HD11      LEU  23 -11.996  -0.966   6.059
  175   HD12  LEU  23          HD12      LEU  23 -13.347   0.168   6.190
  176   HD13  LEU  23          HD13      LEU  23 -11.737   0.741   5.710
  177   HD21  LEU  23          HD21      LEU  23 -14.616  -1.414   4.582
  178   HD22  LEU  23          HD22      LEU  23 -13.170  -2.412   4.605
  179   HD23  LEU  23          HD23      LEU  23 -13.821  -1.845   3.067
  180    H    ASN  24           H        ASN  24 -13.303   2.189   0.137
  181    HA   ASN  24           HA       ASN  24 -15.186   4.247   0.525
  182    HB2  ASN  24           HB2      ASN  24 -14.562   5.121  -1.613
  183    HB3  ASN  24           HB3      ASN  24 -13.123   4.417  -0.914
  184   HD21  ASN  24          HD21      ASN  24 -13.862   1.580  -1.735
  185   HD22  ASN  24          HD22      ASN  24 -13.605   1.560  -3.423
  186    H    ALA  25           H        ALA  25 -15.571   1.108  -0.650
  187    HA   ALA  25           HA       ALA  25 -18.155   1.799  -1.810
  188    HB1  ALA  25           HB1      ALA  25 -16.335  -0.477  -2.553
  189    HB2  ALA  25           HB2      ALA  25 -16.591   0.995  -3.487
  190    HB3  ALA  25           HB3      ALA  25 -17.915  -0.147  -3.261
  191    H    TRP  26           H        TRP  26 -16.390  -0.112   0.442
  192    HA   TRP  26           HA       TRP  26 -16.837  -1.543   2.034
  193    HB2  TRP  26           HB2      TRP  26 -19.608  -0.440   1.725
  194    HB3  TRP  26           HB3      TRP  26 -19.195  -1.601   2.990
  195    HD1  TRP  26           HD1      TRP  26 -19.126   2.016   2.121
  196    HE1  TRP  26           HE1      TRP  26 -18.138   3.375   4.054
  197    HE3  TRP  26           HE3      TRP  26 -17.255  -1.830   4.900
  198    HZ2  TRP  26           HZ2      TRP  26 -16.714   2.867   6.459
  199    HZ3  TRP  26           HZ3      TRP  26 -16.085  -1.315   6.986
  200    HH2  TRP  26           HH2      TRP  26 -15.819   0.981   7.754
  Start of MODEL   12
    1    H1   LYS   1           HT1      LYS   1  11.738  11.531  -3.155
    2    H2   LYS   1           HT2      LYS   1  11.910  10.713  -1.666
    3    H3   LYS   1           HT3      LYS   1  11.696   9.852  -3.077
    4    HA   LYS   1           HA       LYS   1  13.798  10.594  -3.919
    5    HB2  LYS   1           HB2      LYS   1  14.169  11.820  -1.158
    6    HB3  LYS   1           HB3      LYS   1  15.412  11.648  -2.370
    7    HG2  LYS   1           HG2      LYS   1  14.845  13.905  -2.452
    8    HG3  LYS   1           HG3      LYS   1  13.961  13.221  -3.803
    9    HD2  LYS   1           HD2      LYS   1  11.904  13.219  -2.498
   10    HD3  LYS   1           HD3      LYS   1  12.778  13.779  -1.074
   11    HE2  LYS   1           HE2      LYS   1  13.420  15.817  -2.361
   12    HE3  LYS   1           HE3      LYS   1  12.378  15.253  -3.668
   13    HZ1  LYS   1           HZ1      LYS   1  11.503  15.886  -0.909
   14    HZ2  LYS   1           HZ2      LYS   1  10.493  15.387  -2.145
   15    HZ3  LYS   1           HZ3      LYS   1  11.291  16.875  -2.241
   16    H    LYS   2           H        LYS   2  15.226   9.026  -3.814
   17    HA   LYS   2           HA       LYS   2  16.368   7.231  -3.336
   18    HB2  LYS   2           HB2      LYS   2  17.501   6.990  -1.185
   19    HB3  LYS   2           HB3      LYS   2  17.578   8.628  -1.802
   20    HG2  LYS   2           HG2      LYS   2  15.880   9.322  -0.205
   21    HG3  LYS   2           HG3      LYS   2  15.739   7.666   0.374
   22    HD2  LYS   2           HD2      LYS   2  18.068   7.707   1.092
   23    HD3  LYS   2           HD3      LYS   2  18.233   9.347   0.469
   24    HE2  LYS   2           HE2      LYS   2  16.608  10.159   2.042
   25    HE3  LYS   2           HE3      LYS   2  16.298   8.524   2.624
   26    HZ1  LYS   2           HZ1      LYS   2  18.870   9.972   2.838
   27    HZ2  LYS   2           HZ2      LYS   2  18.544   8.429   3.462
   28    HZ3  LYS   2           HZ3      LYS   2  17.768   9.765   4.077
   29    H    LYS   3           H        LYS   3  13.302   7.186  -2.495
   30    HA   LYS   3           HA       LYS   3  11.795   5.519  -2.172
   31    HB2  LYS   3           HB2      LYS   3  14.189   3.685  -2.362
   32    HB3  LYS   3           HB3      LYS   3  12.516   3.167  -2.417
   33    HG2  LYS   3           HG2      LYS   3  12.150   4.135  -4.532
   34    HG3  LYS   3           HG3      LYS   3  13.585   5.150  -4.390
   35    HD2  LYS   3           HD2      LYS   3  13.671   2.139  -4.617
   36    HD3  LYS   3           HD3      LYS   3  13.828   3.242  -5.987
   37    HE2  LYS   3           HE2      LYS   3  15.799   4.274  -4.927
   38    HE3  LYS   3           HE3      LYS   3  15.646   3.171  -3.570
   39    HZ1  LYS   3           HZ1      LYS   3  17.319   2.479  -5.149
   40    HZ2  LYS   3           HZ2      LYS   3  16.150   2.354  -6.369
   41    HZ3  LYS   3           HZ3      LYS   3  16.090   1.350  -5.022
   42    H    LYS   4           H        LYS   4  11.370   3.564  -0.645
   43    HA   LYS   4           HA       LYS   4  12.866   3.485   1.795
   44    HB2  LYS   4           HB2      LYS   4  11.073   4.366   3.344
   45    HB3  LYS   4           HB3      LYS   4  11.525   5.579   2.175
   46    HG2  LYS   4           HG2      LYS   4   9.622   5.171   0.915
   47    HG3  LYS   4           HG3      LYS   4   9.125   3.915   2.063
   48    HD2  LYS   4           HD2      LYS   4   8.947   5.407   3.827
   49    HD3  LYS   4           HD3      LYS   4   9.891   6.637   2.979
   50    HE2  LYS   4           HE2      LYS   4   7.700   7.351   2.872
   51    HE3  LYS   4           HE3      LYS   4   8.248   6.643   1.327
   52    HZ1  LYS   4           HZ1      LYS   4   6.584   5.180   3.304
   53    HZ2  LYS   4           HZ2      LYS   4   6.880   4.662   1.727
   54    HZ3  LYS   4           HZ3      LYS   4   5.915   6.000   2.029
   55    H    GLN   5           H        GLN   5  10.339   2.307  -0.240
   56    HA   GLN   5           HA       GLN   5  10.064  -0.054   1.469
   57    HB2  GLN   5           HB2      GLN   5   7.986   1.227  -0.320
   58    HB3  GLN   5           HB3      GLN   5   7.804  -0.292   0.510
   59    HG2  GLN   5           HG2      GLN   5   7.636   0.679   2.580
   60    HG3  GLN   5           HG3      GLN   5   8.369   2.192   2.073
   61   HE21  GLN   5          HE21      GLN   5   5.506   0.299   2.186
   62   HE22  GLN   5          HE22      GLN   5   4.383   1.524   1.711
   63    H    SER   6           H        SER   6  10.973  -1.713   0.469
   64    HA   SER   6           HA       SER   6  11.310  -1.840  -2.386
   65    HB2  SER   6           HB2      SER   6  11.593  -4.010  -0.293
   66    HB3  SER   6           HB3      SER   6  12.235  -4.059  -1.934
   67    HG   SER   6           HG       SER   6  13.074  -2.630   0.291
   68    H    TRP   7           H        TRP   7  10.389  -3.892  -3.513
   69    HA   TRP   7           HA       TRP   7   7.692  -3.722  -3.747
   70    HB2  TRP   7           HB2      TRP   7   7.757  -5.876  -4.946
   71    HB3  TRP   7           HB3      TRP   7   9.088  -4.816  -5.412
   72    HD1  TRP   7           HD1      TRP   7  11.569  -5.575  -4.657
   73    HE1  TRP   7           HE1      TRP   7  12.509  -7.885  -3.930
   74    HE3  TRP   7           HE3      TRP   7   7.194  -7.991  -3.792
   75    HZ2  TRP   7           HZ2      TRP   7  11.510 -10.372  -3.127
   76    HZ3  TRP   7           HZ3      TRP   7   7.252 -10.330  -3.041
   77    HH2  TRP   7           HH2      TRP   7   9.357 -11.498  -2.726
   78    H    TYR   8           H        TYR   8   9.362  -5.881  -1.571
   79    HA   TYR   8           HA       TYR   8   6.925  -7.165  -0.747
   80    HB2  TYR   8           HB2      TYR   8   8.352  -8.325   0.994
   81    HB3  TYR   8           HB3      TYR   8   8.872  -8.565  -0.666
   82    HD1  TYR   8           HD1      TYR   8  10.962  -7.684  -1.439
   83    HD2  TYR   8           HD2      TYR   8   9.659  -6.933   2.526
   84    HE1  TYR   8           HE1      TYR   8  13.210  -6.871  -0.861
   85    HE2  TYR   8           HE2      TYR   8  11.875  -6.120   3.126
   86    HH   TYR   8           HH       TYR   8  14.302  -6.490   2.217
   87    H    ALA   9           H        ALA   9   8.766  -4.555   0.326
   88    HA   ALA   9           HA       ALA   9   7.599  -4.323   2.939
   89    HB1  ALA   9           HB1      ALA   9   9.032  -2.234   1.271
   90    HB2  ALA   9           HB2      ALA   9   9.798  -3.332   2.412
   91    HB3  ALA   9           HB3      ALA   9   8.666  -2.103   2.994
   92    H    ALA  10           H        ALA  10   7.153  -2.977  -0.257
   93    HA   ALA  10           HA       ALA  10   5.093  -1.195   0.303
   94    HB1  ALA  10           HB1      ALA  10   6.453  -1.094  -1.733
   95    HB2  ALA  10           HB2      ALA  10   4.731  -1.213  -2.103
   96    HB3  ALA  10           HB3      ALA  10   5.769  -2.634  -2.248
   97    H    ALA  11           H        ALA  11   5.136  -4.589  -0.689
   98    HA   ALA  11           HA       ALA  11   2.425  -4.933  -1.221
   99    HB1  ALA  11           HB1      ALA  11   4.223  -6.964   0.061
  100    HB2  ALA  11           HB2      ALA  11   4.160  -6.618  -1.670
  101    HB3  ALA  11           HB3      ALA  11   2.741  -7.272  -0.841
  102    H    GLY  12           H        GLY  12   3.947  -4.938   1.936
  103    HA2  GLY  12           HA2      GLY  12   1.652  -5.859   3.326
  104    HA3  GLY  12           HA3      GLY  12   3.000  -4.964   4.029
  105    H    ASP  13           H        ASP  13   3.029  -2.701   2.831
  106    HA   ASP  13           HA       ASP  13   0.951  -1.192   4.037
  107    HB2  ASP  13           HB2      ASP  13   3.156  -0.292   3.900
  108    HB3  ASP  13           HB3      ASP  13   3.202  -0.519   2.163
  109    H    ALA  14           H        ALA  14   1.739  -1.869   0.785
  110    HA   ALA  14           HA       ALA  14  -0.154  -0.314  -0.575
  111    HB1  ALA  14           HB1      ALA  14   1.889  -1.327  -1.568
  112    HB2  ALA  14           HB2      ALA  14   0.428  -1.521  -2.551
  113    HB3  ALA  14           HB3      ALA  14   1.051  -2.875  -1.605
  114    H    ILE  15           H        ILE  15  -0.376  -3.654   0.539
  115    HA   ILE  15           HA       ILE  15  -2.885  -4.021  -0.780
  116    HB   ILE  15           HB       ILE  15  -1.509  -5.662   1.361
  117   HG12  ILE  15          HG12      ILE  15  -1.971  -6.214  -1.566
  118   HG13  ILE  15          HG13      ILE  15  -0.467  -5.605  -0.871
  119   HG21  ILE  15          HG21      ILE  15  -4.015  -6.335  -0.160
  120   HG22  ILE  15          HG22      ILE  15  -3.907  -6.007   1.586
  121   HG23  ILE  15          HG23      ILE  15  -3.111  -7.430   0.887
  122   HD11  ILE  15          HD11      ILE  15  -0.334  -7.983  -1.270
  123   HD12  ILE  15          HD12      ILE  15  -1.789  -8.211  -0.281
  124   HD13  ILE  15          HD13      ILE  15  -0.304  -7.600   0.464
  125    H    VAL  16           H        VAL  16  -1.930  -3.316   2.443
  126    HA   VAL  16           HA       VAL  16  -4.530  -3.173   3.558
  127    HB   VAL  16           HB       VAL  16  -2.144  -1.521   4.411
  128   HG11  VAL  16          HG11      VAL  16  -4.238  -0.721   5.368
  129   HG12  VAL  16          HG12      VAL  16  -3.211  -1.441   6.609
  130   HG13  VAL  16          HG13      VAL  16  -4.592  -2.341   5.974
  131   HG21  VAL  16          HG21      VAL  16  -2.980  -4.297   5.257
  132   HG22  VAL  16          HG22      VAL  16  -1.776  -3.315   6.089
  133   HG23  VAL  16          HG23      VAL  16  -1.485  -3.825   4.433
  134    H    SER  17           H        SER  17  -2.536  -0.795   2.044
  135    HA   SER  17           HA       SER  17  -4.297   1.426   2.373
  136    HB2  SER  17           HB2      SER  17  -1.868   1.728   2.028
  137    HB3  SER  17           HB3      SER  17  -2.003   1.014   0.424
  138    HG   SER  17           HG       SER  17  -2.970   3.493   1.365
  139    H    PHE  18           H        PHE  18  -3.987  -1.111   0.037
  140    HA   PHE  18           HA       PHE  18  -5.469  -0.046  -2.102
  141    HB2  PHE  18           HB2      PHE  18  -3.998  -2.171  -1.883
  142    HB3  PHE  18           HB3      PHE  18  -5.449  -2.938  -1.279
  143    HD1  PHE  18           HD1      PHE  18  -7.576  -2.111  -2.984
  144    HD2  PHE  18           HD2      PHE  18  -3.535  -2.845  -3.960
  145    HE1  PHE  18           HE1      PHE  18  -8.248  -2.629  -5.312
  146    HE2  PHE  18           HE2      PHE  18  -4.176  -3.353  -6.298
  147    HZ   PHE  18           HZ       PHE  18  -6.539  -3.246  -6.964
  148    H    GLY  19           H        GLY  19  -6.327  -2.056   0.698
  149    HA2  GLY  19           HA2      GLY  19  -9.073  -2.299   0.100
  150    HA3  GLY  19           HA3      GLY  19  -8.337  -2.558   1.678
  151    H    GLU  20           H        GLU  20  -7.283  -0.106   2.181
  152    HA   GLU  20           HA       GLU  20  -9.506   1.317   3.125
  153    HB2  GLU  20           HB2      GLU  20  -6.620   2.129   2.825
  154    HB3  GLU  20           HB3      GLU  20  -7.810   3.096   3.677
  155    HG2  GLU  20           HG2      GLU  20  -6.944   0.306   4.413
  156    HG3  GLU  20           HG3      GLU  20  -6.441   1.792   5.214
  157    H    GLY  21           H        GLY  21  -7.400   1.726   0.465
  158    HA2  GLY  21           HA2      GLY  21  -8.312   4.162  -0.565
  159    HA3  GLY  21           HA3      GLY  21  -7.503   2.876  -1.471
  160    H    PHE  22           H        PHE  22  -9.260   0.888  -1.180
  161    HA   PHE  22           HA       PHE  22 -11.031   1.207  -3.306
  162    HB2  PHE  22           HB2      PHE  22 -10.302  -0.969  -2.724
  163    HB3  PHE  22           HB3      PHE  22 -10.856  -0.796  -1.070
  164    HD1  PHE  22           HD1      PHE  22 -12.029  -1.172  -4.565
  165    HD2  PHE  22           HD2      PHE  22 -12.978  -1.520  -0.440
  166    HE1  PHE  22           HE1      PHE  22 -14.122  -2.336  -5.142
  167    HE2  PHE  22           HE2      PHE  22 -15.052  -2.665  -0.991
  168    HZ   PHE  22           HZ       PHE  22 -15.639  -3.086  -3.363
  169    H    LEU  23           H        LEU  23 -11.506   1.759   0.078
  170    HA   LEU  23           HA       LEU  23 -14.324   1.866   0.021
  171    HB2  LEU  23           HB2      LEU  23 -12.420   3.061   2.013
  172    HB3  LEU  23           HB3      LEU  23 -14.149   2.873   2.248
  173    HG   LEU  23           HG       LEU  23 -12.106   0.670   1.996
  174   HD11  LEU  23          HD11      LEU  23 -13.850   1.552   4.261
  175   HD12  LEU  23          HD12      LEU  23 -12.092   1.744   4.145
  176   HD13  LEU  23          HD13      LEU  23 -12.816   0.128   4.254
  177   HD21  LEU  23          HD21      LEU  23 -15.101   0.450   2.320
  178   HD22  LEU  23          HD22      LEU  23 -13.940  -0.878   2.433
  179   HD23  LEU  23          HD23      LEU  23 -14.153  -0.026   0.903
  180    H    ASN  24           H        ASN  24 -12.116   3.983  -1.285
  181    HA   ASN  24           HA       ASN  24 -13.375   6.478  -0.862
  182    HB2  ASN  24           HB2      ASN  24 -12.071   7.367  -2.627
  183    HB3  ASN  24           HB3      ASN  24 -11.084   6.137  -1.865
  184   HD21  ASN  24          HD21      ASN  24 -12.454   3.866  -3.290
  185   HD22  ASN  24          HD22      ASN  24 -11.825   3.965  -4.896
  186    H    ALA  25           H        ALA  25 -14.539   3.825  -2.492
  187    HA   ALA  25           HA       ALA  25 -16.221   5.426  -4.286
  188    HB1  ALA  25           HB1      ALA  25 -14.942   3.631  -5.363
  189    HB2  ALA  25           HB2      ALA  25 -16.675   3.325  -5.461
  190    HB3  ALA  25           HB3      ALA  25 -15.689   2.450  -4.287
  191    H    TRP  26           H        TRP  26 -16.328   4.650  -1.279
  192    HA   TRP  26           HA       TRP  26 -19.026   3.559  -1.247
  193    HB2  TRP  26           HB2      TRP  26 -16.815   3.492   0.811
  194    HB3  TRP  26           HB3      TRP  26 -18.485   3.069   1.185
  195    HD1  TRP  26           HD1      TRP  26 -16.059   1.963  -1.668
  196    HE1  TRP  26           HE1      TRP  26 -16.146  -0.592  -1.813
  197    HE3  TRP  26           HE3      TRP  26 -19.326   1.041   2.155
  198    HZ2  TRP  26           HZ2      TRP  26 -17.389  -2.728  -0.463
  199    HZ3  TRP  26           HZ3      TRP  26 -19.901  -1.283   2.664
  200    HH2  TRP  26           HH2      TRP  26 -18.944  -3.137   1.384
  Start of MODEL   13
    1    H1   LYS   1           HT1      LYS   1  19.165   0.485  -1.704
    2    H2   LYS   1           HT2      LYS   1  19.379   0.282  -3.380
    3    H3   LYS   1           HT3      LYS   1  18.017   1.030  -2.770
    4    HA   LYS   1           HA       LYS   1  20.728   2.084  -2.428
    5    HB2  LYS   1           HB2      LYS   1  18.496   2.990  -4.281
    6    HB3  LYS   1           HB3      LYS   1  20.002   3.853  -4.037
    7    HG2  LYS   1           HG2      LYS   1  19.645   1.146  -5.325
    8    HG3  LYS   1           HG3      LYS   1  20.145   2.650  -6.107
    9    HD2  LYS   1           HD2      LYS   1  22.197   2.662  -4.764
   10    HD3  LYS   1           HD3      LYS   1  21.694   1.170  -3.975
   11    HE2  LYS   1           HE2      LYS   1  22.341   1.533  -6.892
   12    HE3  LYS   1           HE3      LYS   1  23.298   0.669  -5.699
   13    HZ1  LYS   1           HZ1      LYS   1  22.064  -0.933  -6.947
   14    HZ2  LYS   1           HZ2      LYS   1  20.637  -0.121  -6.759
   15    HZ3  LYS   1           HZ3      LYS   1  21.349  -0.877  -5.434
   16    H    LYS   2           H        LYS   2  20.041   4.696  -2.193
   17    HA   LYS   2           HA       LYS   2  19.132   4.658   0.495
   18    HB2  LYS   2           HB2      LYS   2  19.505   7.082   0.466
   19    HB3  LYS   2           HB3      LYS   2  20.892   6.145  -0.072
   20    HG2  LYS   2           HG2      LYS   2  20.300   6.630  -2.386
   21    HG3  LYS   2           HG3      LYS   2  18.908   7.528  -1.816
   22    HD2  LYS   2           HD2      LYS   2  21.731   8.229  -1.008
   23    HD3  LYS   2           HD3      LYS   2  20.922   8.972  -2.394
   24    HE2  LYS   2           HE2      LYS   2  19.189   9.836  -0.940
   25    HE3  LYS   2           HE3      LYS   2  19.898   9.020   0.447
   26    HZ1  LYS   2           HZ1      LYS   2  21.215  11.135  -1.140
   27    HZ2  LYS   2           HZ2      LYS   2  21.817  10.416   0.272
   28    HZ3  LYS   2           HZ3      LYS   2  20.433  11.359   0.334
   29    H    LYS   3           H        LYS   3  17.017   3.790  -0.726
   30    HA   LYS   3           HA       LYS   3  15.072   5.868  -0.092
   31    HB2  LYS   3           HB2      LYS   3  14.831   3.774  -2.239
   32    HB3  LYS   3           HB3      LYS   3  13.407   4.542  -1.551
   33    HG2  LYS   3           HG2      LYS   3  14.424   6.746  -2.216
   34    HG3  LYS   3           HG3      LYS   3  15.630   5.820  -3.119
   35    HD2  LYS   3           HD2      LYS   3  13.891   4.817  -4.473
   36    HD3  LYS   3           HD3      LYS   3  12.651   5.610  -3.500
   37    HE2  LYS   3           HE2      LYS   3  13.451   7.784  -4.226
   38    HE3  LYS   3           HE3      LYS   3  14.731   7.018  -5.159
   39    HZ1  LYS   3           HZ1      LYS   3  12.817   7.640  -6.515
   40    HZ2  LYS   3           HZ2      LYS   3  11.835   6.598  -5.621
   41    HZ3  LYS   3           HZ3      LYS   3  13.100   5.989  -6.555
   42    H    LYS   4           H        LYS   4  13.382   5.268   1.194
   43    HA   LYS   4           HA       LYS   4  14.116   3.030   2.908
   44    HB2  LYS   4           HB2      LYS   4  12.637   4.057   4.534
   45    HB3  LYS   4           HB3      LYS   4  13.795   5.228   3.925
   46    HG2  LYS   4           HG2      LYS   4  12.027   6.081   2.402
   47    HG3  LYS   4           HG3      LYS   4  10.895   4.972   3.173
   48    HD2  LYS   4           HD2      LYS   4  12.396   7.225   4.498
   49    HD3  LYS   4           HD3      LYS   4  10.675   7.192   4.108
   50    HE2  LYS   4           HE2      LYS   4  10.400   5.260   5.624
   51    HE3  LYS   4           HE3      LYS   4  12.103   5.390   6.054
   52    HZ1  LYS   4           HZ1      LYS   4  10.674   6.481   7.663
   53    HZ2  LYS   4           HZ2      LYS   4  10.068   7.501   6.485
   54    HZ3  LYS   4           HZ3      LYS   4  11.691   7.596   6.926
   55    H    GLN   5           H        GLN   5  12.365   3.103   0.298
   56    HA   GLN   5           HA       GLN   5  10.308   1.363   1.437
   57    HB2  GLN   5           HB2      GLN   5   9.921   3.278  -0.850
   58    HB3  GLN   5           HB3      GLN   5   8.776   2.051  -0.371
   59    HG2  GLN   5           HG2      GLN   5   8.479   3.114   1.805
   60    HG3  GLN   5           HG3      GLN   5   9.683   4.325   1.381
   61   HE21  GLN   5          HE21      GLN   5   7.357   3.138  -0.937
   62   HE22  GLN   5          HE22      GLN   5   6.444   4.587  -1.057
   63    H    SER   6           H        SER   6  10.976  -0.572   0.953
   64    HA   SER   6           HA       SER   6  12.007  -1.346  -1.590
   65    HB2  SER   6           HB2      SER   6  10.791  -3.050   0.578
   66    HB3  SER   6           HB3      SER   6  12.007  -3.520  -0.612
   67    HG   SER   6           HG       SER   6  13.503  -2.675   0.564
   68    H    TRP   7           H        TRP   7  10.688  -3.296  -2.642
   69    HA   TRP   7           HA       TRP   7   8.304  -2.383  -3.653
   70    HB2  TRP   7           HB2      TRP   7   7.911  -4.696  -4.474
   71    HB3  TRP   7           HB3      TRP   7   9.543  -4.146  -4.786
   72    HD1  TRP   7           HD1      TRP   7  11.513  -5.346  -3.406
   73    HE1  TRP   7           HE1      TRP   7  11.647  -7.587  -2.224
   74    HE3  TRP   7           HE3      TRP   7   6.529  -6.380  -3.129
   75    HZ2  TRP   7           HZ2      TRP   7   9.873  -9.564  -1.263
   76    HZ3  TRP   7           HZ3      TRP   7   5.822  -8.497  -2.048
   77    HH2  TRP   7           HH2      TRP   7   7.459 -10.044  -1.141
   78    H    TYR   8           H        TYR   8   8.781  -4.476  -0.900
   79    HA   TYR   8           HA       TYR   8   5.988  -4.899  -0.483
   80    HB2  TYR   8           HB2      TYR   8   6.668  -6.033   1.645
   81    HB3  TYR   8           HB3      TYR   8   7.426  -6.675   0.199
   82    HD1  TYR   8           HD1      TYR   8   9.758  -6.764   0.003
   83    HD2  TYR   8           HD2      TYR   8   8.035  -4.538   3.168
   84    HE1  TYR   8           HE1      TYR   8  11.969  -6.561   1.046
   85    HE2  TYR   8           HE2      TYR   8  10.234  -4.300   4.217
   86    HH   TYR   8           HH       TYR   8  12.338  -5.452   4.237
   87    H    ALA   9           H        ALA   9   8.117  -2.490   0.396
   88    HA   ALA   9           HA       ALA   9   6.780  -1.618   2.759
   89    HB1  ALA   9           HB1      ALA   9   8.581  -0.011   0.920
   90    HB2  ALA   9           HB2      ALA   9   9.128  -0.970   2.291
   91    HB3  ALA   9           HB3      ALA   9   8.107   0.439   2.554
   92    H    ALA  10           H        ALA  10   6.663  -0.849  -0.669
   93    HA   ALA  10           HA       ALA  10   4.610   1.090  -0.407
   94    HB1  ALA  10           HB1      ALA  10   4.503   0.932  -2.838
   95    HB2  ALA  10           HB2      ALA  10   5.542  -0.493  -2.789
   96    HB3  ALA  10           HB3      ALA  10   6.183   1.077  -2.309
   97    H    ALA  11           H        ALA  11   4.802  -2.279  -1.488
   98    HA   ALA  11           HA       ALA  11   2.118  -2.640  -2.138
   99    HB1  ALA  11           HB1      ALA  11   3.951  -4.750  -1.038
  100    HB2  ALA  11           HB2      ALA  11   3.935  -4.208  -2.717
  101    HB3  ALA  11           HB3      ALA  11   2.513  -4.992  -2.030
  102    H    GLY  12           H        GLY  12   3.610  -3.176   1.007
  103    HA2  GLY  12           HA2      GLY  12   1.345  -4.239   2.254
  104    HA3  GLY  12           HA3      GLY  12   2.647  -3.392   3.074
  105    H    ASP  13           H        ASP  13   2.524  -0.931   2.113
  106    HA   ASP  13           HA       ASP  13   0.374   0.205   3.593
  107    HB2  ASP  13           HB2      ASP  13   2.674   1.226   3.387
  108    HB3  ASP  13           HB3      ASP  13   2.327   1.486   1.695
  109    H    ALA  14           H        ALA  14   1.175   0.010   0.287
  110    HA   ALA  14           HA       ALA  14  -0.840   1.549  -0.872
  111    HB1  ALA  14           HB1      ALA  14   0.483  -0.826  -2.151
  112    HB2  ALA  14           HB2      ALA  14   1.293   0.683  -1.945
  113    HB3  ALA  14           HB3      ALA  14  -0.153   0.604  -2.980
  114    H    ILE  15           H        ILE  15  -0.784  -1.925  -0.188
  115    HA   ILE  15           HA       ILE  15  -3.328  -2.315  -1.439
  116    HB   ILE  15           HB       ILE  15  -1.699  -4.170   0.300
  117   HG12  ILE  15          HG12      ILE  15  -2.159  -4.183  -2.680
  118   HG13  ILE  15          HG13      ILE  15  -0.758  -3.473  -1.890
  119   HG21  ILE  15          HG21      ILE  15  -3.119  -5.968  -0.505
  120   HG22  ILE  15          HG22      ILE  15  -4.143  -4.805  -1.363
  121   HG23  ILE  15          HG23      ILE  15  -4.073  -4.788   0.402
  122   HD11  ILE  15          HD11      ILE  15  -0.194  -5.556  -0.946
  123   HD12  ILE  15          HD12      ILE  15  -0.268  -5.704  -2.719
  124   HD13  ILE  15          HD13      ILE  15  -1.575  -6.347  -1.696
  125    H    VAL  16           H        VAL  16  -2.245  -1.915   1.807
  126    HA   VAL  16           HA       VAL  16  -4.745  -2.319   3.046
  127    HB   VAL  16           HB       VAL  16  -2.645  -0.318   3.943
  128   HG11  VAL  16          HG11      VAL  16  -4.795   0.139   4.975
  129   HG12  VAL  16          HG12      VAL  16  -3.705  -0.544   6.183
  130   HG13  VAL  16          HG13      VAL  16  -4.958  -1.549   5.448
  131   HG21  VAL  16          HG21      VAL  16  -1.949  -2.080   5.523
  132   HG22  VAL  16          HG22      VAL  16  -1.707  -2.549   3.849
  133   HG23  VAL  16          HG23      VAL  16  -3.079  -3.193   4.756
  134    H    SER  17           H        SER  17  -3.367   0.576   1.734
  135    HA   SER  17           HA       SER  17  -5.662   2.138   2.222
  136    HB2  SER  17           HB2      SER  17  -3.254   2.618   0.502
  137    HB3  SER  17           HB3      SER  17  -4.556   3.799   0.698
  138    HG   SER  17           HG       SER  17  -4.170   3.397   3.041
  139    H    PHE  18           H        PHE  18  -4.790  -0.004  -0.263
  140    HA   PHE  18           HA       PHE  18  -6.509   0.916  -2.322
  141    HB2  PHE  18           HB2      PHE  18  -4.602  -0.879  -2.262
  142    HB3  PHE  18           HB3      PHE  18  -5.897  -1.989  -1.842
  143    HD1  PHE  18           HD1      PHE  18  -7.920  -2.061  -3.465
  144    HD2  PHE  18           HD2      PHE  18  -4.128  -0.430  -4.448
  145    HE1  PHE  18           HE1      PHE  18  -8.441  -2.315  -5.865
  146    HE2  PHE  18           HE2      PHE  18  -4.639  -0.662  -6.844
  147    HZ   PHE  18           HZ       PHE  18  -6.795  -1.605  -7.555
  148    H    GLY  19           H        GLY  19  -6.801  -1.244   0.428
  149    HA2  GLY  19           HA2      GLY  19  -9.512  -2.018   0.068
  150    HA3  GLY  19           HA3      GLY  19  -8.577  -2.104   1.560
  151    H    GLU  20           H        GLU  20  -7.921   0.617   1.802
  152    HA   GLU  20           HA       GLU  20 -10.202   1.710   2.993
  153    HB2  GLU  20           HB2      GLU  20  -7.729   3.157   2.034
  154    HB3  GLU  20           HB3      GLU  20  -8.917   3.802   3.152
  155    HG2  GLU  20           HG2      GLU  20  -8.372   2.015   4.721
  156    HG3  GLU  20           HG3      GLU  20  -7.116   1.443   3.622
  157    H    GLY  21           H        GLY  21  -8.913   1.919  -0.141
  158    HA2  GLY  21           HA2      GLY  21 -10.418   4.041  -1.235
  159    HA3  GLY  21           HA3      GLY  21  -9.774   2.688  -2.170
  160    H    PHE  22           H        PHE  22 -11.050   0.630  -1.111
  161    HA   PHE  22           HA       PHE  22 -13.593   0.610  -2.307
  162    HB2  PHE  22           HB2      PHE  22 -12.474  -1.490  -2.031
  163    HB3  PHE  22           HB3      PHE  22 -12.302  -1.249  -0.303
  164    HD1  PHE  22           HD1      PHE  22 -14.892  -1.767  -2.940
  165    HD2  PHE  22           HD2      PHE  22 -13.821  -2.177   1.161
  166    HE1  PHE  22           HE1      PHE  22 -16.947  -3.076  -2.524
  167    HE2  PHE  22           HE2      PHE  22 -15.866  -3.461   1.583
  168    HZ   PHE  22           HZ       PHE  22 -17.429  -3.918  -0.265
  169    H    LEU  23           H        LEU  23 -12.574   1.180   0.955
  170    HA   LEU  23           HA       LEU  23 -15.095   1.018   2.201
  171    HB2  LEU  23           HB2      LEU  23 -12.622   2.426   3.165
  172    HB3  LEU  23           HB3      LEU  23 -14.031   2.080   4.143
  173    HG   LEU  23           HG       LEU  23 -12.138   0.069   2.941
  174   HD11  LEU  23          HD11      LEU  23 -11.246   1.201   4.874
  175   HD12  LEU  23          HD12      LEU  23 -11.658  -0.476   5.259
  176   HD13  LEU  23          HD13      LEU  23 -12.718   0.840   5.778
  177   HD21  LEU  23          HD21      LEU  23 -14.385  -0.827   2.873
  178   HD22  LEU  23          HD22      LEU  23 -14.649  -0.369   4.558
  179   HD23  LEU  23          HD23      LEU  23 -13.472  -1.620   4.159
  180    H    ASN  24           H        ASN  24 -14.023   3.375   0.131
  181    HA   ASN  24           HA       ASN  24 -15.145   5.728   1.219
  182    HB2  ASN  24           HB2      ASN  24 -15.060   6.712  -0.930
  183    HB3  ASN  24           HB3      ASN  24 -13.699   5.612  -0.866
  184   HD21  ASN  24          HD21      ASN  24 -15.367   3.176  -1.457
  185   HD22  ASN  24          HD22      ASN  24 -15.790   3.344  -3.108
  186    H    ALA  25           H        ALA  25 -16.729   2.945   0.272
  187    HA   ALA  25           HA       ALA  25 -19.248   4.365  -0.220
  188    HB1  ALA  25           HB1      ALA  25 -18.477   1.557  -0.970
  189    HB2  ALA  25           HB2      ALA  25 -18.485   2.944  -2.066
  190    HB3  ALA  25           HB3      ALA  25 -19.993   2.363  -1.369
  191    H    TRP  26           H        TRP  26 -17.646   2.962   2.303
  192    HA   TRP  26           HA       TRP  26 -20.121   2.068   3.499
  193    HB2  TRP  26           HB2      TRP  26 -17.577   0.412   3.437
  194    HB3  TRP  26           HB3      TRP  26 -18.945   0.086   4.485
  195    HD1  TRP  26           HD1      TRP  26 -17.678  -0.577   1.025
  196    HE1  TRP  26           HE1      TRP  26 -19.444  -1.913  -0.307
  197    HE3  TRP  26           HE3      TRP  26 -21.655  -0.070   4.196
  198    HZ2  TRP  26           HZ2      TRP  26 -22.143  -2.625  -0.049
  199    HZ3  TRP  26           HZ3      TRP  26 -23.790  -1.096   3.571
  200    HH2  TRP  26           HH2      TRP  26 -24.028  -2.350   1.498
  Start of MODEL   14
    1    H1   LYS   1           HT1      LYS   1  19.188   7.921  -6.038
    2    H2   LYS   1           HT2      LYS   1  20.611   7.129  -6.377
    3    H3   LYS   1           HT3      LYS   1  20.298   7.700  -4.810
    4    HA   LYS   1           HA       LYS   1  18.771   5.572  -6.165
    5    HB2  LYS   1           HB2      LYS   1  20.601   5.424  -3.747
    6    HB3  LYS   1           HB3      LYS   1  19.729   4.096  -4.489
    7    HG2  LYS   1           HG2      LYS   1  21.845   5.672  -5.915
    8    HG3  LYS   1           HG3      LYS   1  22.183   4.218  -4.978
    9    HD2  LYS   1           HD2      LYS   1  20.816   2.903  -6.419
   10    HD3  LYS   1           HD3      LYS   1  20.261   4.324  -7.304
   11    HE2  LYS   1           HE2      LYS   1  22.031   3.080  -8.493
   12    HE3  LYS   1           HE3      LYS   1  22.489   4.736  -8.120
   13    HZ1  LYS   1           HZ1      LYS   1  23.307   2.338  -6.572
   14    HZ2  LYS   1           HZ2      LYS   1  23.766   3.915  -6.227
   15    HZ3  LYS   1           HZ3      LYS   1  24.286   3.186  -7.644
   16    H    LYS   2           H        LYS   2  17.027   4.828  -4.895
   17    HA   LYS   2           HA       LYS   2  16.127   6.751  -2.917
   18    HB2  LYS   2           HB2      LYS   2  14.740   4.225  -3.831
   19    HB3  LYS   2           HB3      LYS   2  14.040   5.474  -2.817
   20    HG2  LYS   2           HG2      LYS   2  14.346   7.040  -4.795
   21    HG3  LYS   2           HG3      LYS   2  14.725   5.598  -5.739
   22    HD2  LYS   2           HD2      LYS   2  12.542   4.623  -4.998
   23    HD3  LYS   2           HD3      LYS   2  12.180   6.156  -4.225
   24    HE2  LYS   2           HE2      LYS   2  11.061   6.160  -6.329
   25    HE3  LYS   2           HE3      LYS   2  12.428   7.259  -6.466
   26    HZ1  LYS   2           HZ1      LYS   2  12.345   4.470  -7.431
   27    HZ2  LYS   2           HZ2      LYS   2  13.632   5.542  -7.684
   28    HZ3  LYS   2           HZ3      LYS   2  12.126   5.818  -8.384
   29    H    LYS   3           H        LYS   3  16.560   3.426  -3.106
   30    HA   LYS   3           HA       LYS   3  17.293   1.731  -1.746
   31    HB2  LYS   3           HB2      LYS   3  19.301   3.050  -1.479
   32    HB3  LYS   3           HB3      LYS   3  18.585   3.966  -0.165
   33    HG2  LYS   3           HG2      LYS   3  18.406   1.817   1.121
   34    HG3  LYS   3           HG3      LYS   3  19.329   1.048  -0.162
   35    HD2  LYS   3           HD2      LYS   3  21.201   2.510   0.241
   36    HD3  LYS   3           HD3      LYS   3  20.273   3.419   1.432
   37    HE2  LYS   3           HE2      LYS   3  20.062   1.335   2.772
   38    HE3  LYS   3           HE3      LYS   3  21.115   0.525   1.618
   39    HZ1  LYS   3           HZ1      LYS   3  22.875   2.117   2.208
   40    HZ2  LYS   3           HZ2      LYS   3  22.305   1.272   3.539
   41    HZ3  LYS   3           HZ3      LYS   3  21.813   2.850   3.305
   42    H    LYS   4           H        LYS   4  16.087   4.360   0.204
   43    HA   LYS   4           HA       LYS   4  15.680   3.205   2.626
   44    HB2  LYS   4           HB2      LYS   4  13.989   4.967   3.070
   45    HB3  LYS   4           HB3      LYS   4  15.482   5.568   2.361
   46    HG2  LYS   4           HG2      LYS   4  14.392   5.710   0.193
   47    HG3  LYS   4           HG3      LYS   4  12.902   5.084   0.886
   48    HD2  LYS   4           HD2      LYS   4  12.687   7.465   0.753
   49    HD3  LYS   4           HD3      LYS   4  12.923   7.043   2.450
   50    HE2  LYS   4           HE2      LYS   4  15.303   7.631   2.262
   51    HE3  LYS   4           HE3      LYS   4  15.068   8.062   0.579
   52    HZ1  LYS   4           HZ1      LYS   4  13.417   9.740   1.379
   53    HZ2  LYS   4           HZ2      LYS   4  14.985  10.052   1.833
   54    HZ3  LYS   4           HZ3      LYS   4  13.909   9.416   2.958
   55    H    GLN   5           H        GLN   5  13.229   3.188   0.113
   56    HA   GLN   5           HA       GLN   5  11.648   1.519   1.885
   57    HB2  GLN   5           HB2      GLN   5  10.774   2.937  -0.626
   58    HB3  GLN   5           HB3      GLN   5   9.766   1.855   0.315
   59    HG2  GLN   5           HG2      GLN   5   9.999   3.317   2.268
   60    HG3  GLN   5           HG3      GLN   5  10.963   4.434   1.309
   61   HE21  GLN   5          HE21      GLN   5   8.212   2.718   0.011
   62   HE22  GLN   5          HE22      GLN   5   7.184   4.079  -0.122
   63    H    SER   6           H        SER   6  12.010  -0.420   1.770
   64    HA   SER   6           HA       SER   6  12.960  -1.885  -0.457
   65    HB2  SER   6           HB2      SER   6  13.305  -2.552   1.948
   66    HB3  SER   6           HB3      SER   6  11.586  -2.878   2.061
   67    HG   SER   6           HG       SER   6  13.569  -4.414   1.142
   68    H    TRP   7           H        TRP   7  11.691  -3.847  -1.198
   69    HA   TRP   7           HA       TRP   7   9.439  -3.126  -2.656
   70    HB2  TRP   7           HB2      TRP   7   9.139  -5.575  -3.075
   71    HB3  TRP   7           HB3      TRP   7  10.770  -4.982  -3.369
   72    HD1  TRP   7           HD1      TRP   7  12.691  -5.815  -1.638
   73    HE1  TRP   7           HE1      TRP   7  12.817  -7.862  -0.086
   74    HE3  TRP   7           HE3      TRP   7   7.747  -7.140  -1.595
   75    HZ2  TRP   7           HZ2      TRP   7  11.088  -9.789   0.989
   76    HZ3  TRP   7           HZ3      TRP   7   7.074  -9.100  -0.279
   77    HH2  TRP   7           HH2      TRP   7   8.711 -10.401   0.984
   78    H    TYR   8           H        TYR   8   9.632  -4.680   0.465
   79    HA   TYR   8           HA       TYR   8   6.795  -5.094   0.555
   80    HB2  TYR   8           HB2      TYR   8   7.110  -5.928   2.854
   81    HB3  TYR   8           HB3      TYR   8   8.171  -6.720   1.699
   82    HD1  TYR   8           HD1      TYR   8  10.527  -6.645   1.995
   83    HD2  TYR   8           HD2      TYR   8   8.014  -4.202   4.388
   84    HE1  TYR   8           HE1      TYR   8  12.424  -6.110   3.434
   85    HE2  TYR   8           HE2      TYR   8   9.908  -3.641   5.828
   86    HH   TYR   8           HH       TYR   8  12.002  -4.574   6.438
   87    H    ALA   9           H        ALA   9   8.825  -2.543   1.298
   88    HA   ALA   9           HA       ALA   9   7.260  -1.327   3.366
   89    HB1  ALA   9           HB1      ALA   9   9.245  -0.039   1.469
   90    HB2  ALA   9           HB2      ALA   9   9.624  -0.710   3.058
   91    HB3  ALA   9           HB3      ALA   9   8.584   0.701   2.923
   92    H    ALA  10           H        ALA  10   7.439  -1.125  -0.127
   93    HA   ALA  10           HA       ALA  10   5.380   0.826  -0.403
   94    HB1  ALA  10           HB1      ALA  10   5.503   0.192  -2.763
   95    HB2  ALA  10           HB2      ALA  10   6.559  -1.158  -2.343
   96    HB3  ALA  10           HB3      ALA  10   7.115   0.500  -2.114
   97    H    ALA  11           H        ALA  11   5.630  -2.677  -0.894
   98    HA   ALA  11           HA       ALA  11   3.018  -3.176  -1.622
   99    HB1  ALA  11           HB1      ALA  11   4.746  -5.027   0.004
  100    HB2  ALA  11           HB2      ALA  11   4.865  -4.816  -1.745
  101    HB3  ALA  11           HB3      ALA  11   3.397  -5.478  -1.036
  102    H    GLY  12           H        GLY  12   4.297  -3.001   1.654
  103    HA2  GLY  12           HA2      GLY  12   2.049  -3.904   3.014
  104    HA3  GLY  12           HA3      GLY  12   3.267  -2.817   3.672
  105    H    ASP  13           H        ASP  13   2.980  -0.670   2.048
  106    HA   ASP  13           HA       ASP  13   0.586   0.548   3.131
  107    HB2  ASP  13           HB2      ASP  13   2.774   1.781   2.863
  108    HB3  ASP  13           HB3      ASP  13   2.540   1.640   1.137
  109    H    ALA  14           H        ALA  14   1.833  -0.194   0.054
  110    HA   ALA  14           HA       ALA  14  -0.080   0.880  -1.613
  111    HB1  ALA  14           HB1      ALA  14   0.936  -0.409  -3.372
  112    HB2  ALA  14           HB2      ALA  14   1.541  -1.574  -2.197
  113    HB3  ALA  14           HB3      ALA  14   2.231   0.023  -2.230
  114    H    ILE  15           H        ILE  15   0.050  -2.385  -0.251
  115    HA   ILE  15           HA       ILE  15  -2.294  -3.209  -1.698
  116    HB   ILE  15           HB       ILE  15  -0.891  -4.537   0.629
  117   HG12  ILE  15          HG12      ILE  15  -0.868  -5.228  -2.304
  118   HG13  ILE  15          HG13      ILE  15   0.400  -4.321  -1.479
  119   HG21  ILE  15          HG21      ILE  15  -3.042  -5.656  -1.198
  120   HG22  ILE  15          HG22      ILE  15  -3.254  -5.263   0.505
  121   HG23  ILE  15          HG23      ILE  15  -2.173  -6.570   0.032
  122   HD11  ILE  15          HD11      ILE  15   0.787  -6.201  -0.038
  123   HD12  ILE  15          HD12      ILE  15   1.013  -6.628  -1.746
  124   HD13  ILE  15          HD13      ILE  15  -0.462  -7.117  -0.883
  125    H    VAL  16           H        VAL  16  -1.629  -2.129   1.490
  126    HA   VAL  16           HA       VAL  16  -4.269  -2.474   2.456
  127    HB   VAL  16           HB       VAL  16  -2.168  -0.516   3.451
  128   HG11  VAL  16          HG11      VAL  16  -4.400   0.181   4.135
  129   HG12  VAL  16          HG12      VAL  16  -3.486  -0.438   5.514
  130   HG13  VAL  16          HG13      VAL  16  -4.723  -1.439   4.753
  131   HG21  VAL  16          HG21      VAL  16  -1.865  -2.191   5.250
  132   HG22  VAL  16          HG22      VAL  16  -1.411  -2.775   3.669
  133   HG23  VAL  16          HG23      VAL  16  -2.952  -3.284   4.387
  134    H    SER  17           H        SER  17  -2.701   0.175   0.913
  135    HA   SER  17           HA       SER  17  -4.901   1.999   0.995
  136    HB2  SER  17           HB2      SER  17  -2.506   2.706   0.650
  137    HB3  SER  17           HB3      SER  17  -2.533   1.901  -0.908
  138    HG   SER  17           HG       SER  17  -3.727   4.267  -0.092
  139    H    PHE  18           H        PHE  18  -3.840  -0.506  -1.164
  140    HA   PHE  18           HA       PHE  18  -5.557  -0.071  -3.357
  141    HB2  PHE  18           HB2      PHE  18  -3.537  -1.698  -2.984
  142    HB3  PHE  18           HB3      PHE  18  -4.744  -2.775  -2.332
  143    HD1  PHE  18           HD1      PHE  18  -6.962  -2.743  -4.071
  144    HD2  PHE  18           HD2      PHE  18  -2.857  -2.329  -5.007
  145    HE1  PHE  18           HE1      PHE  18  -7.395  -3.634  -6.333
  146    HE2  PHE  18           HE2      PHE  18  -3.274  -3.199  -7.276
  147    HZ   PHE  18           HZ       PHE  18  -5.556  -3.846  -7.936
  148    H    GLY  19           H        GLY  19  -5.794  -2.147  -0.508
  149    HA2  GLY  19           HA2      GLY  19  -8.387  -3.130  -0.941
  150    HA3  GLY  19           HA3      GLY  19  -7.554  -3.068   0.607
  151    H    GLU  20           H        GLU  20  -7.239  -0.385   0.991
  152    HA   GLU  20           HA       GLU  20  -9.844   0.343   1.833
  153    HB2  GLU  20           HB2      GLU  20  -7.236   1.823   1.835
  154    HB3  GLU  20           HB3      GLU  20  -8.689   2.530   2.515
  155    HG2  GLU  20           HG2      GLU  20  -8.816   0.507   4.011
  156    HG3  GLU  20           HG3      GLU  20  -7.240   0.052   3.387
  157    H    GLY  21           H        GLY  21  -7.970   1.056  -0.897
  158    HA2  GLY  21           HA2      GLY  21  -9.512   3.196  -1.944
  159    HA3  GLY  21           HA3      GLY  21  -8.434   2.132  -2.858
  160    H    PHE  22           H        PHE  22  -9.729  -0.249  -2.095
  161    HA   PHE  22           HA       PHE  22 -11.928  -0.265  -3.934
  162    HB2  PHE  22           HB2      PHE  22 -10.534  -2.206  -3.941
  163    HB3  PHE  22           HB3      PHE  22 -10.677  -2.395  -2.199
  164    HD1  PHE  22           HD1      PHE  22 -12.197  -3.884  -1.338
  165    HD2  PHE  22           HD2      PHE  22 -12.751  -2.413  -5.285
  166    HE1  PHE  22           HE1      PHE  22 -14.058  -5.434  -1.631
  167    HE2  PHE  22           HE2      PHE  22 -14.633  -3.975  -5.600
  168    HZ   PHE  22           HZ       PHE  22 -15.290  -5.494  -3.764
  169    H    LEU  23           H        LEU  23 -11.517  -0.567  -0.477
  170    HA   LEU  23           HA       LEU  23 -14.194  -1.110   0.232
  171    HB2  LEU  23           HB2      LEU  23 -12.000   0.119   1.875
  172    HB3  LEU  23           HB3      LEU  23 -13.519  -0.459   2.520
  173    HG   LEU  23           HG       LEU  23 -11.362  -2.126   1.231
  174   HD11  LEU  23          HD11      LEU  23 -10.782  -1.379   3.443
  175   HD12  LEU  23          HD12      LEU  23 -11.149  -3.111   3.437
  176   HD13  LEU  23          HD13      LEU  23 -12.329  -1.962   4.067
  177   HD21  LEU  23          HD21      LEU  23 -13.540  -3.054   0.697
  178   HD22  LEU  23          HD22      LEU  23 -14.014  -2.975   2.393
  179   HD23  LEU  23          HD23      LEU  23 -12.714  -4.061   1.888
  180    H    ASN  24           H        ASN  24 -12.966   1.632  -1.003
  181    HA   ASN  24           HA       ASN  24 -14.150   3.772   0.409
  182    HB2  ASN  24           HB2      ASN  24 -13.589   5.117  -1.416
  183    HB3  ASN  24           HB3      ASN  24 -12.391   3.827  -1.399
  184   HD21  ASN  24          HD21      ASN  24 -14.295   1.832  -2.718
  185   HD22  ASN  24          HD22      ASN  24 -14.395   2.365  -4.343
  186    H    ALA  25           H        ALA  25 -15.796   1.344  -1.045
  187    HA   ALA  25           HA       ALA  25 -17.844   3.010  -2.267
  188    HB1  ALA  25           HB1      ALA  25 -17.480   0.018  -2.358
  189    HB2  ALA  25           HB2      ALA  25 -16.907   1.154  -3.570
  190    HB3  ALA  25           HB3      ALA  25 -18.638   0.966  -3.293
  191    H    TRP  26           H        TRP  26 -17.224   2.162   0.660
  192    HA   TRP  26           HA       TRP  26 -19.665   0.945   1.471
  193    HB2  TRP  26           HB2      TRP  26 -19.023   1.309   3.804
  194    HB3  TRP  26           HB3      TRP  26 -17.665   0.695   2.882
  195    HD1  TRP  26           HD1      TRP  26 -15.765   2.707   2.231
  196    HE1  TRP  26           HE1      TRP  26 -14.915   4.590   3.734
  197    HE3  TRP  26           HE3      TRP  26 -19.623   2.865   5.574
  198    HZ2  TRP  26           HZ2      TRP  26 -15.766   5.984   6.028
  199    HZ3  TRP  26           HZ3      TRP  26 -19.537   4.501   7.390
  200    HH2  TRP  26           HH2      TRP  26 -17.641   6.036   7.624
  Start of MODEL   15
    1    H1   LYS   1           HT1      LYS   1  22.355  -3.085  -1.317
    2    H2   LYS   1           HT2      LYS   1  21.129  -2.794  -0.184
    3    H3   LYS   1           HT3      LYS   1  20.734  -3.028  -1.799
    4    HA   LYS   1           HA       LYS   1  21.499  -5.277  -1.710
    5    HB2  LYS   1           HB2      LYS   1  21.915  -4.612   1.189
    6    HB3  LYS   1           HB3      LYS   1  22.006  -6.234   0.518
    7    HG2  LYS   1           HG2      LYS   1  23.945  -5.606  -0.810
    8    HG3  LYS   1           HG3      LYS   1  23.840  -3.943  -0.246
    9    HD2  LYS   1           HD2      LYS   1  24.375  -6.376   1.466
   10    HD3  LYS   1           HD3      LYS   1  25.567  -5.187   0.941
   11    HE2  LYS   1           HE2      LYS   1  24.397  -3.451   2.201
   12    HE3  LYS   1           HE3      LYS   1  23.174  -4.621   2.693
   13    HZ1  LYS   1           HZ1      LYS   1  24.966  -5.888   3.765
   14    HZ2  LYS   1           HZ2      LYS   1  24.719  -4.373   4.437
   15    HZ3  LYS   1           HZ3      LYS   1  26.039  -4.646   3.444
   16    H    LYS   2           H        LYS   2  19.701  -6.263  -2.017
   17    HA   LYS   2           HA       LYS   2  17.663  -7.114  -1.965
   18    HB2  LYS   2           HB2      LYS   2  16.740  -8.013   0.061
   19    HB3  LYS   2           HB3      LYS   2  18.473  -8.241   0.069
   20    HG2  LYS   2           HG2      LYS   2  18.691  -6.350   1.646
   21    HG3  LYS   2           HG3      LYS   2  16.944  -6.159   1.638
   22    HD2  LYS   2           HD2      LYS   2  18.452  -8.612   2.559
   23    HD3  LYS   2           HD3      LYS   2  17.701  -7.412   3.609
   24    HE2  LYS   2           HE2      LYS   2  15.502  -7.979   2.633
   25    HE3  LYS   2           HE3      LYS   2  16.282  -9.211   1.639
   26    HZ1  LYS   2           HZ1      LYS   2  16.989 -10.305   3.711
   27    HZ2  LYS   2           HZ2      LYS   2  15.344 -10.248   3.549
   28    HZ3  LYS   2           HZ3      LYS   2  16.116  -9.169   4.594
   29    H    LYS   3           H        LYS   3  17.958  -4.101  -1.740
   30    HA   LYS   3           HA       LYS   3  15.335  -3.413  -0.796
   31    HB2  LYS   3           HB2      LYS   3  17.035  -1.809  -0.237
   32    HB3  LYS   3           HB3      LYS   3  17.617  -1.738  -1.877
   33    HG2  LYS   3           HG2      LYS   3  16.389   0.291  -1.188
   34    HG3  LYS   3           HG3      LYS   3  15.677  -0.501  -2.585
   35    HD2  LYS   3           HD2      LYS   3  13.976   0.299  -0.993
   36    HD3  LYS   3           HD3      LYS   3  13.933  -1.443  -1.221
   37    HE2  LYS   3           HE2      LYS   3  15.074  -1.788   0.883
   38    HE3  LYS   3           HE3      LYS   3  15.258  -0.049   1.109
   39    HZ1  LYS   3           HZ1      LYS   3  12.930   0.192   1.373
   40    HZ2  LYS   3           HZ2      LYS   3  13.356  -1.129   2.344
   41    HZ3  LYS   3           HZ3      LYS   3  12.626  -1.362   0.835
   42    H    LYS   4           H        LYS   4  13.917  -4.267  -2.038
   43    HA   LYS   4           HA       LYS   4  14.041  -3.816  -4.926
   44    HB2  LYS   4           HB2      LYS   4  12.176  -5.469  -5.080
   45    HB3  LYS   4           HB3      LYS   4  13.633  -6.133  -4.366
   46    HG2  LYS   4           HG2      LYS   4  12.702  -6.050  -2.185
   47    HG3  LYS   4           HG3      LYS   4  11.316  -5.118  -2.735
   48    HD2  LYS   4           HD2      LYS   4  10.690  -7.418  -2.369
   49    HD3  LYS   4           HD3      LYS   4  10.592  -7.044  -4.089
   50    HE2  LYS   4           HE2      LYS   4  12.753  -8.143  -4.440
   51    HE3  LYS   4           HE3      LYS   4  12.856  -8.469  -2.709
   52    HZ1  LYS   4           HZ1      LYS   4  10.812  -9.565  -4.572
   53    HZ2  LYS   4           HZ2      LYS   4  10.796  -9.755  -2.926
   54    HZ3  LYS   4           HZ3      LYS   4  12.052 -10.430  -3.821
   55    H    GLN   5           H        GLN   5  12.220  -2.977  -2.083
   56    HA   GLN   5           HA       GLN   5  10.568  -1.161  -3.656
   57    HB2  GLN   5           HB2      GLN   5   9.487  -3.085  -1.582
   58    HB3  GLN   5           HB3      GLN   5   8.585  -1.800  -2.355
   59    HG2  GLN   5           HG2      GLN   5   8.708  -2.850  -4.468
   60    HG3  GLN   5           HG3      GLN   5   9.841  -4.060  -3.883
   61   HE21  GLN   5          HE21      GLN   5   6.555  -3.046  -3.974
   62   HE22  GLN   5          HE22      GLN   5   5.882  -4.507  -3.323
   63    H    SER   6           H        SER   6  10.599   0.736  -2.763
   64    HA   SER   6           HA       SER   6  11.658   1.064  -0.092
   65    HB2  SER   6           HB2      SER   6  12.478   2.430  -2.041
   66    HB3  SER   6           HB3      SER   6  10.886   3.174  -2.130
   67    HG   SER   6           HG       SER   6  12.728   3.249  -0.008
   68    H    TRP   7           H        TRP   7  10.471   3.154   0.930
   69    HA   TRP   7           HA       TRP   7   8.024   2.231   1.902
   70    HB2  TRP   7           HB2      TRP   7   7.786   4.484   2.963
   71    HB3  TRP   7           HB3      TRP   7   9.327   3.718   3.285
   72    HD1  TRP   7           HD1      TRP   7  11.496   4.840   2.224
   73    HE1  TRP   7           HE1      TRP   7  11.953   7.194   1.303
   74    HE3  TRP   7           HE3      TRP   7   6.682   6.458   1.705
   75    HZ2  TRP   7           HZ2      TRP   7  10.475   9.440   0.487
   76    HZ3  TRP   7           HZ3      TRP   7   6.290   8.730   0.853
   77    HH2  TRP   7           HH2      TRP   7   8.155  10.190   0.256
   78    H    TYR   8           H        TYR   8   8.740   4.513  -0.622
   79    HA   TYR   8           HA       TYR   8   5.990   5.256  -0.931
   80    HB2  TYR   8           HB2      TYR   8   6.741   6.510  -2.959
   81    HB3  TYR   8           HB3      TYR   8   7.585   6.941  -1.478
   82    HD1  TYR   8           HD1      TYR   8   7.905   5.218  -4.726
   83    HD2  TYR   8           HD2      TYR   8   9.933   6.579  -1.252
   84    HE1  TYR   8           HE1      TYR   8  10.038   4.852  -5.843
   85    HE2  TYR   8           HE2      TYR   8  12.092   6.209  -2.362
   86    HH   TYR   8           HH       TYR   8  12.341   5.637  -5.688
   87    H    ALA   9           H        ALA   9   7.971   2.862  -2.164
   88    HA   ALA   9           HA       ALA   9   6.483   2.222  -4.517
   89    HB1  ALA   9           HB1      ALA   9   7.763   0.111  -4.477
   90    HB2  ALA   9           HB2      ALA   9   8.335   0.499  -2.860
   91    HB3  ALA   9           HB3      ALA   9   8.804   1.511  -4.227
   92    H    ALA  10           H        ALA  10   6.646   0.956  -1.203
   93    HA   ALA  10           HA       ALA  10   4.575  -0.905  -1.515
   94    HB1  ALA  10           HB1      ALA  10   4.665  -1.035   0.918
   95    HB2  ALA  10           HB2      ALA  10   5.695   0.395   0.977
   96    HB3  ALA  10           HB3      ALA  10   6.292  -1.094   0.241
   97    H    ALA  11           H        ALA  11   4.743   2.341  -0.077
   98    HA   ALA  11           HA       ALA  11   2.057   2.524   0.697
   99    HB1  ALA  11           HB1      ALA  11   2.350   4.921   0.768
  100    HB2  ALA  11           HB2      ALA  11   3.815   4.796  -0.210
  101    HB3  ALA  11           HB3      ALA  11   3.787   4.131   1.419
  102    H    GLY  12           H        GLY  12   3.479   3.095  -2.457
  103    HA2  GLY  12           HA2      GLY  12   1.255   4.301  -3.612
  104    HA3  GLY  12           HA3      GLY  12   2.518   3.423  -4.474
  105    H    ASP  13           H        ASP  13   2.355   0.944  -3.658
  106    HA   ASP  13           HA       ASP  13   0.001  -0.007  -5.004
  107    HB2  ASP  13           HB2      ASP  13   2.211  -1.207  -5.071
  108    HB3  ASP  13           HB3      ASP  13   1.956  -1.612  -3.391
  109    H    ALA  14           H        ALA  14   1.142  -0.109  -1.792
  110    HA   ALA  14           HA       ALA  14  -0.704  -1.779  -0.593
  111    HB1  ALA  14           HB1      ALA  14   1.428  -0.958   0.407
  112    HB2  ALA  14           HB2      ALA  14   0.061  -0.897   1.528
  113    HB3  ALA  14           HB3      ALA  14   0.641   0.570   0.732
  114    H    ILE  15           H        ILE  15  -0.894   1.720  -0.990
  115    HA   ILE  15           HA       ILE  15  -3.387   1.840   0.417
  116    HB   ILE  15           HB       ILE  15  -1.964   3.902  -1.254
  117   HG12  ILE  15          HG12      ILE  15  -2.277   3.687   1.732
  118   HG13  ILE  15          HG13      ILE  15  -0.866   3.135   0.840
  119   HG21  ILE  15          HG21      ILE  15  -4.392   4.251   0.511
  120   HG22  ILE  15          HG22      ILE  15  -4.352   4.411  -1.247
  121   HG23  ILE  15          HG23      ILE  15  -3.459   5.552  -0.232
  122   HD11  ILE  15          HD11      ILE  15  -1.903   5.935   0.955
  123   HD12  ILE  15          HD12      ILE  15  -0.507   5.355   0.032
  124   HD13  ILE  15          HD13      ILE  15  -0.489   5.289   1.817
  125    H    VAL  16           H        VAL  16  -2.452   1.833  -2.897
  126    HA   VAL  16           HA       VAL  16  -5.050   2.170  -3.989
  127    HB   VAL  16           HB       VAL  16  -2.734   0.608  -5.199
  128   HG11  VAL  16          HG11      VAL  16  -3.872   0.892  -7.347
  129   HG12  VAL  16          HG12      VAL  16  -5.225   1.673  -6.521
  130   HG13  VAL  16          HG13      VAL  16  -4.854  -0.022  -6.199
  131   HG21  VAL  16          HG21      VAL  16  -2.102   2.914  -4.840
  132   HG22  VAL  16          HG22      VAL  16  -3.596   3.485  -5.581
  133   HG23  VAL  16          HG23      VAL  16  -2.384   2.667  -6.560
  134    H    SER  17           H        SER  17  -3.293  -0.650  -3.082
  135    HA   SER  17           HA       SER  17  -5.307  -2.515  -3.779
  136    HB2  SER  17           HB2      SER  17  -2.901  -2.735  -1.974
  137    HB3  SER  17           HB3      SER  17  -3.895  -4.103  -2.500
  138    HG   SER  17           HG       SER  17  -1.813  -3.132  -3.783
  139    H    PHE  18           H        PHE  18  -4.563  -0.663  -0.945
  140    HA   PHE  18           HA       PHE  18  -6.219  -1.939   0.938
  141    HB2  PHE  18           HB2      PHE  18  -4.425  -0.025   1.132
  142    HB3  PHE  18           HB3      PHE  18  -5.805   1.029   0.865
  143    HD1  PHE  18           HD1      PHE  18  -3.823  -0.323   3.277
  144    HD2  PHE  18           HD2      PHE  18  -7.913   0.336   2.412
  145    HE1  PHE  18           HE1      PHE  18  -4.347  -0.481   5.686
  146    HE2  PHE  18           HE2      PHE  18  -8.461   0.196   4.806
  147    HZ   PHE  18           HZ       PHE  18  -6.683  -0.211   6.448
  148    H    GLY  19           H        GLY  19  -6.689   0.750  -1.307
  149    HA2  GLY  19           HA2      GLY  19  -9.374   1.331  -0.743
  150    HA3  GLY  19           HA3      GLY  19  -8.549   1.687  -2.256
  151    H    GLU  20           H        GLU  20  -7.962  -0.800  -3.188
  152    HA   GLU  20           HA       GLU  20 -10.395  -1.720  -4.219
  153    HB2  GLU  20           HB2      GLU  20  -7.674  -3.033  -4.121
  154    HB3  GLU  20           HB3      GLU  20  -9.013  -3.694  -5.033
  155    HG2  GLU  20           HG2      GLU  20  -7.789  -0.979  -5.467
  156    HG3  GLU  20           HG3      GLU  20  -7.437  -2.421  -6.416
  157    H    GLY  21           H        GLY  21  -8.479  -2.774  -1.589
  158    HA2  GLY  21           HA2      GLY  21  -9.888  -5.147  -0.873
  159    HA3  GLY  21           HA3      GLY  21  -8.848  -4.223   0.203
  160    H    PHE  22           H        PHE  22 -10.475  -1.819  -0.322
  161    HA   PHE  22           HA       PHE  22 -12.620  -2.270   1.514
  162    HB2  PHE  22           HB2      PHE  22 -11.365  -0.214   1.616
  163    HB3  PHE  22           HB3      PHE  22 -11.737   0.137  -0.066
  164    HD1  PHE  22           HD1      PHE  22 -13.039   1.976  -0.175
  165    HD2  PHE  22           HD2      PHE  22 -13.815  -0.921   2.794
  166    HE1  PHE  22           HE1      PHE  22 -14.995   3.275   0.539
  167    HE2  PHE  22           HE2      PHE  22 -15.781   0.374   3.558
  168    HZ   PHE  22           HZ       PHE  22 -16.376   2.476   2.416
  169    H    LEU  23           H        LEU  23 -12.326  -1.272  -1.865
  170    HA   LEU  23           HA       LEU  23 -15.043  -0.916  -2.413
  171    HB2  LEU  23           HB2      LEU  23 -12.836  -1.487  -4.378
  172    HB3  LEU  23           HB3      LEU  23 -14.403  -0.820  -4.765
  173    HG   LEU  23           HG       LEU  23 -12.189   0.487  -3.214
  174   HD11  LEU  23          HD11      LEU  23 -11.890   0.527  -5.605
  175   HD12  LEU  23          HD12      LEU  23 -12.286   2.137  -4.999
  176   HD13  LEU  23          HD13      LEU  23 -13.517   1.176  -5.815
  177   HD21  LEU  23          HD21      LEU  23 -14.984   1.486  -3.706
  178   HD22  LEU  23          HD22      LEU  23 -13.638   2.421  -3.025
  179   HD23  LEU  23          HD23      LEU  23 -14.269   1.017  -2.157
  180    H    ASN  24           H        ASN  24 -13.226  -3.794  -2.422
  181    HA   ASN  24           HA       ASN  24 -14.900  -5.306  -4.148
  182    HB2  ASN  24           HB2      ASN  24 -13.821  -7.276  -3.335
  183    HB3  ASN  24           HB3      ASN  24 -12.609  -6.008  -3.427
  184   HD21  ASN  24          HD21      ASN  24 -13.588  -4.760  -0.742
  185   HD22  ASN  24          HD22      ASN  24 -12.968  -5.875   0.380
  186    H    ALA  25           H        ALA  25 -15.498  -4.117  -1.027
  187    HA   ALA  25           HA       ALA  25 -17.645  -6.089  -0.618
  188    HB1  ALA  25           HB1      ALA  25 -15.800  -6.419   0.961
  189    HB2  ALA  25           HB2      ALA  25 -17.281  -5.907   1.764
  190    HB3  ALA  25           HB3      ALA  25 -15.979  -4.750   1.503
  191    H    TRP  26           H        TRP  26 -16.763  -2.782  -0.929
  192    HA   TRP  26           HA       TRP  26 -19.436  -2.012  -0.155
  193    HB2  TRP  26           HB2      TRP  26 -16.893  -0.545   0.640
  194    HB3  TRP  26           HB3      TRP  26 -18.539   0.004   0.932
  195    HD1  TRP  26           HD1      TRP  26 -15.878  -2.322   2.281
  196    HE1  TRP  26           HE1      TRP  26 -16.639  -3.244   4.571
  197    HE3  TRP  26           HE3      TRP  26 -20.703  -0.654   2.257
  198    HZ2  TRP  26           HZ2      TRP  26 -18.984  -3.276   6.130
  199    HZ3  TRP  26           HZ3      TRP  26 -22.135  -1.178   4.176
  200    HH2  TRP  26           HH2      TRP  26 -21.300  -2.449   6.068
  Start of MODEL   16
    1    H1   LYS   1           HT1      LYS   1 -12.043 -10.904   2.117
    2    H2   LYS   1           HT2      LYS   1 -13.254 -10.016   2.884
    3    H3   LYS   1           HT3      LYS   1 -12.321  -9.319   1.685
    4    HA   LYS   1           HA       LYS   1 -13.143 -10.677   0.014
    5    HB2  LYS   1           HB2      LYS   1 -13.508 -12.746   1.261
    6    HB3  LYS   1           HB3      LYS   1 -14.804 -12.001   2.183
    7    HG2  LYS   1           HG2      LYS   1 -15.680 -13.474   0.461
    8    HG3  LYS   1           HG3      LYS   1 -16.143 -11.798   0.157
    9    HD2  LYS   1           HD2      LYS   1 -14.233 -11.634  -1.453
   10    HD3  LYS   1           HD3      LYS   1 -13.947 -13.359  -1.219
   11    HE2  LYS   1           HE2      LYS   1 -16.191 -13.838  -2.059
   12    HE3  LYS   1           HE3      LYS   1 -16.487 -12.116  -2.247
   13    HZ1  LYS   1           HZ1      LYS   1 -15.865 -13.112  -4.335
   14    HZ2  LYS   1           HZ2      LYS   1 -14.443 -13.699  -3.694
   15    HZ3  LYS   1           HZ3      LYS   1 -14.656 -12.045  -3.880
   16    H    LYS   2           H        LYS   2 -15.342  -9.665   2.663
   17    HA   LYS   2           HA       LYS   2 -16.988  -8.373   0.723
   18    HB2  LYS   2           HB2      LYS   2 -17.889  -9.468   2.814
   19    HB3  LYS   2           HB3      LYS   2 -17.106  -8.206   3.740
   20    HG2  LYS   2           HG2      LYS   2 -19.470  -7.741   3.462
   21    HG3  LYS   2           HG3      LYS   2 -18.472  -6.525   2.654
   22    HD2  LYS   2           HD2      LYS   2 -18.910  -7.458   0.510
   23    HD3  LYS   2           HD3      LYS   2 -19.671  -8.886   1.214
   24    HE2  LYS   2           HE2      LYS   2 -20.715  -6.059   1.403
   25    HE3  LYS   2           HE3      LYS   2 -21.300  -7.296   0.293
   26    HZ1  LYS   2           HZ1      LYS   2 -21.478  -7.357   3.263
   27    HZ2  LYS   2           HZ2      LYS   2 -21.899  -8.644   2.282
   28    HZ3  LYS   2           HZ3      LYS   2 -22.747  -7.201   2.179
   29    H    LYS   3           H        LYS   3 -15.708  -6.981  -0.191
   30    HA   LYS   3           HA       LYS   3 -14.717  -5.008  -0.692
   31    HB2  LYS   3           HB2      LYS   3 -15.575  -4.114   2.084
   32    HB3  LYS   3           HB3      LYS   3 -14.954  -3.058   0.827
   33    HG2  LYS   3           HG2      LYS   3 -16.882  -3.583  -0.565
   34    HG3  LYS   3           HG3      LYS   3 -17.519  -4.647   0.686
   35    HD2  LYS   3           HD2      LYS   3 -17.629  -2.715   2.210
   36    HD3  LYS   3           HD3      LYS   3 -17.060  -1.675   0.904
   37    HE2  LYS   3           HE2      LYS   3 -19.591  -3.311   0.879
   38    HE3  LYS   3           HE3      LYS   3 -19.497  -1.569   1.155
   39    HZ1  LYS   3           HZ1      LYS   3 -20.104  -2.037  -1.097
   40    HZ2  LYS   3           HZ2      LYS   3 -18.805  -3.033  -1.344
   41    HZ3  LYS   3           HZ3      LYS   3 -18.567  -1.370  -1.117
   42    H    LYS   4           H        LYS   4 -12.953  -3.426   0.355
   43    HA   LYS   4           HA       LYS   4 -11.173  -5.139   1.879
   44    HB2  LYS   4           HB2      LYS   4  -9.213  -4.315   0.594
   45    HB3  LYS   4           HB3      LYS   4 -10.343  -5.197  -0.411
   46    HG2  LYS   4           HG2      LYS   4 -11.223  -2.983  -1.212
   47    HG3  LYS   4           HG3      LYS   4  -9.918  -2.219  -0.313
   48    HD2  LYS   4           HD2      LYS   4  -9.207  -2.382  -2.564
   49    HD3  LYS   4           HD3      LYS   4  -8.309  -3.594  -1.659
   50    HE2  LYS   4           HE2      LYS   4  -9.124  -4.438  -3.813
   51    HE3  LYS   4           HE3      LYS   4  -9.789  -5.341  -2.455
   52    HZ1  LYS   4           HZ1      LYS   4 -11.247  -3.154  -3.889
   53    HZ2  LYS   4           HZ2      LYS   4 -11.872  -4.180  -2.699
   54    HZ3  LYS   4           HZ3      LYS   4 -11.447  -4.791  -4.175
   55    H    GLN   5           H        GLN   5 -11.080  -1.790   0.819
   56    HA   GLN   5           HA       GLN   5 -11.566  -0.694   3.286
   57    HB2  GLN   5           HB2      GLN   5  -9.285   0.235   3.721
   58    HB3  GLN   5           HB3      GLN   5  -9.365  -1.501   3.923
   59    HG2  GLN   5           HG2      GLN   5  -8.345  -1.752   1.672
   60    HG3  GLN   5           HG3      GLN   5  -8.184   0.010   1.608
   61   HE21  GLN   5          HE21      GLN   5  -6.141  -2.042   1.562
   62   HE22  GLN   5          HE22      GLN   5  -5.081  -1.680   2.885
   63    H    SER   6           H        SER   6 -11.034   1.682   3.088
   64    HA   SER   6           HA       SER   6 -12.109   2.675   0.684
   65    HB2  SER   6           HB2      SER   6 -10.649   4.198   2.853
   66    HB3  SER   6           HB3      SER   6 -11.828   4.847   1.708
   67    HG   SER   6           HG       SER   6 -12.926   2.771   2.908
   68    H    TRP   7           H        TRP   7 -11.044   4.220  -0.803
   69    HA   TRP   7           HA       TRP   7  -8.750   3.219  -1.965
   70    HB2  TRP   7           HB2      TRP   7  -8.716   5.270  -3.371
   71    HB3  TRP   7           HB3      TRP   7 -10.328   4.599  -3.227
   72    HD1  TRP   7           HD1      TRP   7 -12.131   6.044  -1.842
   73    HE1  TRP   7           HE1      TRP   7 -12.183   8.501  -1.147
   74    HE3  TRP   7           HE3      TRP   7  -7.252   7.225  -2.694
   75    HZ2  TRP   7           HZ2      TRP   7 -10.399  10.687  -0.991
   76    HZ3  TRP   7           HZ3      TRP   7  -6.497   9.522  -2.245
   77    HH2  TRP   7           HH2      TRP   7  -8.039  11.214  -1.412
   78    H    TYR   8           H        TYR   8  -8.980   5.886   0.284
   79    HA   TYR   8           HA       TYR   8  -6.201   6.517   0.101
   80    HB2  TYR   8           HB2      TYR   8  -6.622   8.002   2.103
   81    HB3  TYR   8           HB3      TYR   8  -7.611   8.340   0.688
   82    HD1  TYR   8           HD1      TYR   8  -9.958   8.235   0.824
   83    HD2  TYR   8           HD2      TYR   8  -7.626   6.798   4.059
   84    HE1  TYR   8           HE1      TYR   8 -11.980   8.095   2.202
   85    HE2  TYR   8           HE2      TYR   8  -9.640   6.633   5.453
   86    HH   TYR   8           HH       TYR   8 -11.844   7.555   5.577
   87    H    ALA   9           H        ALA   9  -8.032   4.418   1.964
   88    HA   ALA   9           HA       ALA   9  -6.098   4.029   4.040
   89    HB1  ALA   9           HB1      ALA   9  -8.457   3.537   4.437
   90    HB2  ALA   9           HB2      ALA   9  -7.476   2.087   4.672
   91    HB3  ALA   9           HB3      ALA   9  -8.417   2.286   3.192
   92    H    ALA  10           H        ALA  10  -7.049   2.422   1.023
   93    HA   ALA  10           HA       ALA  10  -5.177   0.353   1.060
   94    HB1  ALA  10           HB1      ALA  10  -7.151   0.356  -0.407
   95    HB2  ALA  10           HB2      ALA  10  -5.655   0.233  -1.336
   96    HB3  ALA  10           HB3      ALA  10  -6.519   1.769  -1.256
   97    H    ALA  11           H        ALA  11  -5.209   3.555  -0.439
   98    HA   ALA  11           HA       ALA  11  -2.701   3.469  -1.610
   99    HB1  ALA  11           HB1      ALA  11  -2.733   5.895  -1.606
  100    HB2  ALA  11           HB2      ALA  11  -4.019   5.891  -0.394
  101    HB3  ALA  11           HB3      ALA  11  -4.332   5.267  -2.009
  102    H    GLY  12           H        GLY  12  -3.500   4.447   1.677
  103    HA2  GLY  12           HA2      GLY  12  -0.941   5.224   2.490
  104    HA3  GLY  12           HA3      GLY  12  -2.216   4.631   3.551
  105    H    ASP  13           H        ASP  13  -2.501   2.072   2.588
  106    HA   ASP  13           HA       ASP  13  -0.194   0.786   3.751
  107    HB2  ASP  13           HB2      ASP  13  -2.380  -0.160   4.206
  108    HB3  ASP  13           HB3      ASP  13  -2.712  -0.303   2.488
  109    H    ALA  14           H        ALA  14  -1.651   0.868   0.682
  110    HA   ALA  14           HA       ALA  14  -0.085  -0.928  -0.753
  111    HB1  ALA  14           HB1      ALA  14  -1.479   1.467  -1.917
  112    HB2  ALA  14           HB2      ALA  14  -2.337   0.092  -1.334
  113    HB3  ALA  14           HB3      ALA  14  -1.199  -0.101  -2.698
  114    H    ILE  15           H        ILE  15   0.315   2.568  -0.360
  115    HA   ILE  15           HA       ILE  15   2.525   2.678  -2.201
  116    HB   ILE  15           HB       ILE  15   1.572   4.717  -0.178
  117   HG12  ILE  15          HG12      ILE  15   1.273   4.629  -3.180
  118   HG13  ILE  15          HG13      ILE  15   0.017   4.192  -2.035
  119   HG21  ILE  15          HG21      ILE  15   2.996   6.344  -1.346
  120   HG22  ILE  15          HG22      ILE  15   3.609   5.056  -2.386
  121   HG23  ILE  15          HG23      ILE  15   3.957   5.032  -0.657
  122   HD11  ILE  15          HD11      ILE  15   1.298   6.859  -2.349
  123   HD12  ILE  15          HD12      ILE  15   0.105   6.413  -1.116
  124   HD13  ILE  15          HD13      ILE  15  -0.353   6.409  -2.832
  125    H    VAL  16           H        VAL  16   2.184   2.547   1.214
  126    HA   VAL  16           HA       VAL  16   4.954   2.731   1.770
  127    HB   VAL  16           HB       VAL  16   2.810   1.394   3.464
  128   HG11  VAL  16          HG11      VAL  16   5.057   0.599   4.082
  129   HG12  VAL  16          HG12      VAL  16   4.371   1.623   5.342
  130   HG13  VAL  16          HG13      VAL  16   5.594   2.274   4.244
  131   HG21  VAL  16          HG21      VAL  16   3.999   4.170   3.547
  132   HG22  VAL  16          HG22      VAL  16   2.926   3.495   4.770
  133   HG23  VAL  16          HG23      VAL  16   2.339   3.728   3.133
  134    H    SER  17           H        SER  17   2.898   0.038   1.120
  135    HA   SER  17           HA       SER  17   4.909  -1.976   1.404
  136    HB2  SER  17           HB2      SER  17   2.465  -2.484   1.533
  137    HB3  SER  17           HB3      SER  17   2.313  -2.054  -0.168
  138    HG   SER  17           HG       SER  17   3.668  -4.248   0.996
  139    H    PHE  18           H        PHE  18   3.784   0.013  -1.207
  140    HA   PHE  18           HA       PHE  18   5.125  -1.146  -3.390
  141    HB2  PHE  18           HB2      PHE  18   3.319   0.731  -3.215
  142    HB3  PHE  18           HB3      PHE  18   4.682   1.802  -2.995
  143    HD1  PHE  18           HD1      PHE  18   6.614   1.272  -4.899
  144    HD2  PHE  18           HD2      PHE  18   2.423   0.785  -5.268
  145    HE1  PHE  18           HE1      PHE  18   6.816   1.544  -7.337
  146    HE2  PHE  18           HE2      PHE  18   2.597   1.030  -7.720
  147    HZ   PHE  18           HZ       PHE  18   4.800   1.412  -8.756
  148    H    GLY  19           H        GLY  19   5.983   1.484  -1.190
  149    HA2  GLY  19           HA2      GLY  19   8.551   2.004  -2.183
  150    HA3  GLY  19           HA3      GLY  19   7.971   2.384  -0.561
  151    H    GLU  20           H        GLU  20   7.499  -0.079   0.487
  152    HA   GLU  20           HA       GLU  20  10.099  -0.950   1.141
  153    HB2  GLU  20           HB2      GLU  20   7.394  -2.141   1.638
  154    HB3  GLU  20           HB3      GLU  20   8.838  -2.875   2.285
  155    HG2  GLU  20           HG2      GLU  20   7.731  -0.140   2.914
  156    HG3  GLU  20           HG3      GLU  20   7.766  -1.545   3.975
  157    H    GLY  21           H        GLY  21   7.806  -1.972  -1.148
  158    HA2  GLY  21           HA2      GLY  21   8.879  -4.450  -1.934
  159    HA3  GLY  21           HA3      GLY  21   7.920  -3.380  -2.964
  160    H    PHE  22           H        PHE  22   9.673  -1.209  -2.812
  161    HA   PHE  22           HA       PHE  22  11.797  -2.044  -4.567
  162    HB2  PHE  22           HB2      PHE  22  10.827   0.065  -5.102
  163    HB3  PHE  22           HB3      PHE  22  11.032   0.669  -3.465
  164    HD1  PHE  22           HD1      PHE  22  12.687   2.233  -3.213
  165    HD2  PHE  22           HD2      PHE  22  13.228  -0.819  -6.120
  166    HE1  PHE  22           HE1      PHE  22  14.872   3.185  -3.805
  167    HE2  PHE  22           HE2      PHE  22  15.414   0.138  -6.722
  168    HZ   PHE  22           HZ       PHE  22  16.243   2.139  -5.554
  169    H    LEU  23           H        LEU  23  11.564  -0.688  -1.317
  170    HA   LEU  23           HA       LEU  23  14.319  -0.389  -0.860
  171    HB2  LEU  23           HB2      LEU  23  12.127  -0.642   1.178
  172    HB3  LEU  23           HB3      LEU  23  13.746  -0.069   1.481
  173    HG   LEU  23           HG       LEU  23  11.696   1.279  -0.265
  174   HD11  LEU  23          HD11      LEU  23  12.862   2.087   2.382
  175   HD12  LEU  23          HD12      LEU  23  11.227   1.495   2.089
  176   HD13  LEU  23          HD13      LEU  23  11.742   3.038   1.405
  177   HD21  LEU  23          HD21      LEU  23  13.333   3.100  -0.454
  178   HD22  LEU  23          HD22      LEU  23  13.888   1.593  -1.189
  179   HD23  LEU  23          HD23      LEU  23  14.529   2.092   0.376
  180    H    ASN  24           H        ASN  24  12.497  -3.220  -0.708
  181    HA   ASN  24           HA       ASN  24  14.081  -4.745   1.096
  182    HB2  ASN  24           HB2      ASN  24  12.997  -6.667   0.232
  183    HB3  ASN  24           HB3      ASN  24  11.813  -5.366   0.224
  184   HD21  ASN  24          HD21      ASN  24  13.213  -4.262  -2.334
  185   HD22  ASN  24          HD22      ASN  24  12.537  -5.280  -3.541
  186    H    ALA  25           H        ALA  25  15.061  -3.372  -1.660
  187    HA   ALA  25           HA       ALA  25  16.859  -5.515  -2.525
  188    HB1  ALA  25           HB1      ALA  25  15.520  -4.432  -4.260
  189    HB2  ALA  25           HB2      ALA  25  17.240  -4.106  -4.492
  190    HB3  ALA  25           HB3      ALA  25  16.192  -2.865  -3.804
  191    H    TRP  26           H        TRP  26  17.057  -3.843  -0.121
  192    HA   TRP  26           HA       TRP  26  19.091  -1.950  -0.249
  193    HB2  TRP  26           HB2      TRP  26  19.427  -2.461   2.241
  194    HB3  TRP  26           HB3      TRP  26  17.849  -1.892   1.746
  195    HD1  TRP  26           HD1      TRP  26  15.842  -3.688   1.842
  196    HE1  TRP  26           HE1      TRP  26  15.505  -5.785   3.250
  197    HE3  TRP  26           HE3      TRP  26  20.681  -4.460   3.259
  198    HZ2  TRP  26           HZ2      TRP  26  17.095  -7.564   4.782
  199    HZ3  TRP  26           HZ3      TRP  26  21.189  -6.381   4.695
  200    HH2  TRP  26           HH2      TRP  26  19.436  -7.898   5.448
  Start of MODEL   17
    1    H1   LYS   1           HT1      LYS   1  21.784  -0.436   1.726
    2    H2   LYS   1           HT2      LYS   1  22.675   0.924   2.194
    3    H3   LYS   1           HT3      LYS   1  22.337   0.625   0.571
    4    HA   LYS   1           HA       LYS   1  20.268   1.238   2.563
    5    HB2  LYS   1           HB2      LYS   1  21.369   2.885   0.270
    6    HB3  LYS   1           HB3      LYS   1  20.099   3.376   1.364
    7    HG2  LYS   1           HG2      LYS   1  21.629   3.497   3.204
    8    HG3  LYS   1           HG3      LYS   1  22.931   2.826   2.222
    9    HD2  LYS   1           HD2      LYS   1  21.538   5.455   1.700
   10    HD3  LYS   1           HD3      LYS   1  23.101   5.264   2.502
   11    HE2  LYS   1           HE2      LYS   1  23.990   4.208   0.453
   12    HE3  LYS   1           HE3      LYS   1  22.439   4.471  -0.339
   13    HZ1  LYS   1           HZ1      LYS   1  22.739   6.846  -0.007
   14    HZ2  LYS   1           HZ2      LYS   1  23.995   6.184  -0.918
   15    HZ3  LYS   1           HZ3      LYS   1  24.236   6.565   0.709
   16    H    LYS   2           H        LYS   2  18.182   1.345   1.548
   17    HA   LYS   2           HA       LYS   2  18.070  -0.233  -0.889
   18    HB2  LYS   2           HB2      LYS   2  15.628  -0.344  -0.512
   19    HB3  LYS   2           HB3      LYS   2  16.546  -0.935   0.866
   20    HG2  LYS   2           HG2      LYS   2  16.107   1.104   2.085
   21    HG3  LYS   2           HG3      LYS   2  15.330   1.814   0.668
   22    HD2  LYS   2           HD2      LYS   2  13.678   1.002   2.290
   23    HD3  LYS   2           HD3      LYS   2  13.583   0.121   0.770
   24    HE2  LYS   2           HE2      LYS   2  13.385  -1.389   2.674
   25    HE3  LYS   2           HE3      LYS   2  14.837  -1.733   1.749
   26    HZ1  LYS   2           HZ1      LYS   2  14.732  -0.183   4.276
   27    HZ2  LYS   2           HZ2      LYS   2  16.129  -0.532   3.394
   28    HZ3  LYS   2           HZ3      LYS   2  15.258  -1.763   4.112
   29    H    LYS   3           H        LYS   3  17.958   2.850   0.150
   30    HA   LYS   3           HA       LYS   3  17.924   4.877  -0.788
   31    HB2  LYS   3           HB2      LYS   3  17.903   3.405  -3.412
   32    HB3  LYS   3           HB3      LYS   3  17.966   5.156  -3.263
   33    HG2  LYS   3           HG2      LYS   3  20.080   4.881  -1.938
   34    HG3  LYS   3           HG3      LYS   3  20.029   3.162  -2.316
   35    HD2  LYS   3           HD2      LYS   3  21.499   4.304  -3.887
   36    HD3  LYS   3           HD3      LYS   3  20.065   3.712  -4.729
   37    HE2  LYS   3           HE2      LYS   3  19.060   5.949  -4.582
   38    HE3  LYS   3           HE3      LYS   3  20.499   6.554  -3.764
   39    HZ1  LYS   3           HZ1      LYS   3  20.432   7.105  -6.080
   40    HZ2  LYS   3           HZ2      LYS   3  20.365   5.500  -6.535
   41    HZ3  LYS   3           HZ3      LYS   3  21.748   6.125  -5.765
   42    H    LYS   4           H        LYS   4  15.363   2.823  -1.957
   43    HA   LYS   4           HA       LYS   4  13.589   5.146  -1.750
   44    HB2  LYS   4           HB2      LYS   4  12.621   4.867  -3.866
   45    HB3  LYS   4           HB3      LYS   4  14.302   4.541  -4.215
   46    HG2  LYS   4           HG2      LYS   4  12.206   2.466  -3.703
   47    HG3  LYS   4           HG3      LYS   4  12.680   2.979  -5.325
   48    HD2  LYS   4           HD2      LYS   4  14.471   1.627  -3.273
   49    HD3  LYS   4           HD3      LYS   4  13.729   0.814  -4.648
   50    HE2  LYS   4           HE2      LYS   4  15.023   2.225  -6.180
   51    HE3  LYS   4           HE3      LYS   4  15.748   3.058  -4.801
   52    HZ1  LYS   4           HZ1      LYS   4  17.240   1.347  -5.643
   53    HZ2  LYS   4           HZ2      LYS   4  16.068   0.164  -5.441
   54    HZ3  LYS   4           HZ3      LYS   4  16.706   0.941  -4.104
   55    H    GLN   5           H        GLN   5  11.222   4.124  -2.048
   56    HA   GLN   5           HA       GLN   5  10.997   2.134  -0.072
   57    HB2  GLN   5           HB2      GLN   5   8.633   2.413  -0.331
   58    HB3  GLN   5           HB3      GLN   5   9.416   3.988  -0.487
   59    HG2  GLN   5           HG2      GLN   5   9.190   3.841  -2.922
   60    HG3  GLN   5           HG3      GLN   5   8.393   2.278  -2.682
   61   HE21  GLN   5          HE21      GLN   5   6.283   2.213  -2.053
   62   HE22  GLN   5          HE22      GLN   5   5.302   3.642  -1.958
   63    H    SER   6           H        SER   6  11.341   0.207  -0.435
   64    HA   SER   6           HA       SER   6  11.773  -0.992  -2.924
   65    HB2  SER   6           HB2      SER   6  11.297  -2.301  -0.257
   66    HB3  SER   6           HB3      SER   6  12.052  -3.066  -1.656
   67    HG   SER   6           HG       SER   6  13.461  -1.064  -1.495
   68    H    TRP   7           H        TRP   7  10.674  -3.112  -3.527
   69    HA   TRP   7           HA       TRP   7   8.101  -2.764  -4.406
   70    HB2  TRP   7           HB2      TRP   7   8.049  -5.264  -4.749
   71    HB3  TRP   7           HB3      TRP   7   9.483  -4.463  -5.388
   72    HD1  TRP   7           HD1      TRP   7  11.812  -4.896  -4.069
   73    HE1  TRP   7           HE1      TRP   7  12.573  -6.781  -2.525
   74    HE3  TRP   7           HE3      TRP   7   7.257  -6.987  -3.065
   75    HZ2  TRP   7           HZ2      TRP   7  11.404  -8.915  -1.085
   76    HZ3  TRP   7           HZ3      TRP   7   7.167  -8.957  -1.602
   77    HH2  TRP   7           HH2      TRP   7   9.205  -9.909  -0.635
   78    H    TYR   8           H        TYR   8   9.068  -4.314  -1.425
   79    HA   TYR   8           HA       TYR   8   6.393  -5.040  -0.734
   80    HB2  TYR   8           HB2      TYR   8   7.297  -5.784   1.438
   81    HB3  TYR   8           HB3      TYR   8   8.237  -6.415   0.104
   82    HD1  TYR   8           HD1      TYR   8   8.191  -4.054   2.902
   83    HD2  TYR   8           HD2      TYR   8  10.559  -5.789  -0.173
   84    HE1  TYR   8           HE1      TYR   8  10.211  -3.174   3.979
   85    HE2  TYR   8           HE2      TYR   8  12.599  -4.904   0.912
   86    HH   TYR   8           HH       TYR   8  12.530  -3.714   4.057
   87    H    ALA   9           H        ALA   9   8.225  -2.271  -0.421
   88    HA   ALA   9           HA       ALA   9   6.887  -1.133   1.856
   89    HB1  ALA   9           HB1      ALA   9   9.142  -0.381   1.182
   90    HB2  ALA   9           HB2      ALA   9   7.990   0.958   1.214
   91    HB3  ALA   9           HB3      ALA   9   8.464   0.249  -0.324
   92    H    ALA  10           H        ALA  10   6.565  -1.091  -1.628
   93    HA   ALA  10           HA       ALA  10   4.351   0.714  -1.690
   94    HB1  ALA  10           HB1      ALA  10   4.150  -0.050  -4.009
   95    HB2  ALA  10           HB2      ALA  10   5.324  -1.331  -3.691
   96    HB3  ALA  10           HB3      ALA  10   5.827   0.356  -3.641
   97    H    ALA  11           H        ALA  11   4.751  -2.798  -1.981
   98    HA   ALA  11           HA       ALA  11   2.097  -3.466  -2.202
   99    HB1  ALA  11           HB1      ALA  11   3.956  -5.051  -2.509
  100    HB2  ALA  11           HB2      ALA  11   2.693  -5.693  -1.458
  101    HB3  ALA  11           HB3      ALA  11   4.191  -5.086  -0.763
  102    H    GLY  12           H        GLY  12   3.940  -2.994   0.759
  103    HA2  GLY  12           HA2      GLY  12   2.088  -3.781   2.630
  104    HA3  GLY  12           HA3      GLY  12   3.308  -2.542   2.894
  105    H    ASP  13           H        ASP  13   2.524  -0.577   1.215
  106    HA   ASP  13           HA       ASP  13   0.205   0.454   2.594
  107    HB2  ASP  13           HB2      ASP  13   2.154   1.884   1.796
  108    HB3  ASP  13           HB3      ASP  13   1.549   1.618   0.182
  109    H    ALA  14           H        ALA  14   1.013  -0.456  -0.588
  110    HA   ALA  14           HA       ALA  14  -1.198   0.337  -2.006
  111    HB1  ALA  14           HB1      ALA  14   0.999  -0.404  -2.915
  112    HB2  ALA  14           HB2      ALA  14  -0.391  -1.068  -3.785
  113    HB3  ALA  14           HB3      ALA  14   0.504  -2.058  -2.633
  114    H    ILE  15           H        ILE  15  -0.666  -2.761  -0.406
  115    HA   ILE  15           HA       ILE  15  -3.131  -3.826  -1.395
  116    HB   ILE  15           HB       ILE  15  -1.323  -4.876   0.798
  117   HG12  ILE  15          HG12      ILE  15  -1.634  -5.789  -2.059
  118   HG13  ILE  15          HG13      ILE  15  -0.358  -4.716  -1.512
  119   HG21  ILE  15          HG21      ILE  15  -3.618  -5.758   1.036
  120   HG22  ILE  15          HG22      ILE  15  -2.510  -7.017   0.507
  121   HG23  ILE  15          HG23      ILE  15  -3.597  -6.255  -0.659
  122   HD11  ILE  15          HD11      ILE  15  -0.842  -7.519  -0.599
  123   HD12  ILE  15          HD12      ILE  15   0.412  -6.423   0.002
  124   HD13  ILE  15          HD13      ILE  15   0.449  -6.968  -1.686
  125    H    VAL  16           H        VAL  16  -2.081  -2.430   1.568
  126    HA   VAL  16           HA       VAL  16  -4.519  -2.772   2.984
  127    HB   VAL  16           HB       VAL  16  -2.455  -0.578   3.328
  128   HG11  VAL  16          HG11      VAL  16  -4.625  -1.502   5.217
  129   HG12  VAL  16          HG12      VAL  16  -4.607   0.008   4.311
  130   HG13  VAL  16          HG13      VAL  16  -3.398  -0.277   5.570
  131   HG21  VAL  16          HG21      VAL  16  -1.648  -1.975   5.219
  132   HG22  VAL  16          HG22      VAL  16  -1.430  -2.725   3.651
  133   HG23  VAL  16          HG23      VAL  16  -2.752  -3.257   4.704
  134    H    SER  17           H        SER  17  -3.320  -0.230   0.986
  135    HA   SER  17           HA       SER  17  -5.603   1.424   1.217
  136    HB2  SER  17           HB2      SER  17  -3.322   1.414  -0.755
  137    HB3  SER  17           HB3      SER  17  -4.556   2.682  -0.649
  138    HG   SER  17           HG       SER  17  -2.321   2.585   0.715
  139    H    PHE  18           H        PHE  18  -4.747  -1.244  -0.784
  140    HA   PHE  18           HA       PHE  18  -6.662  -0.969  -2.845
  141    HB2  PHE  18           HB2      PHE  18  -4.621  -2.566  -2.536
  142    HB3  PHE  18           HB3      PHE  18  -5.736  -3.562  -1.631
  143    HD1  PHE  18           HD1      PHE  18  -8.093  -3.867  -3.040
  144    HD2  PHE  18           HD2      PHE  18  -4.208  -3.254  -4.624
  145    HE1  PHE  18           HE1      PHE  18  -8.787  -4.970  -5.137
  146    HE2  PHE  18           HE2      PHE  18  -4.888  -4.345  -6.732
  147    HZ   PHE  18           HZ       PHE  18  -7.169  -5.201  -6.988
  148    H    GLY  19           H        GLY  19  -6.588  -2.520   0.319
  149    HA2  GLY  19           HA2      GLY  19  -9.182  -3.602   0.354
  150    HA3  GLY  19           HA3      GLY  19  -8.231  -3.185   1.777
  151    H    GLU  20           H        GLU  20  -7.948  -0.520   1.600
  152    HA   GLU  20           HA       GLU  20 -10.419   0.451   2.483
  153    HB2  GLU  20           HB2      GLU  20  -7.939   1.929   1.605
  154    HB3  GLU  20           HB3      GLU  20  -9.308   2.714   2.366
  155    HG2  GLU  20           HG2      GLU  20  -7.633   0.542   3.593
  156    HG3  GLU  20           HG3      GLU  20  -7.493   2.268   3.950
  157    H    GLY  21           H        GLY  21  -8.790   0.573  -0.501
  158    HA2  GLY  21           HA2      GLY  21 -10.436   2.386  -1.921
  159    HA3  GLY  21           HA3      GLY  21  -9.371   1.182  -2.646
  160    H    PHE  22           H        PHE  22 -10.681  -0.978  -1.232
  161    HA   PHE  22           HA       PHE  22 -13.022  -1.323  -2.843
  162    HB2  PHE  22           HB2      PHE  22 -11.699  -3.285  -2.523
  163    HB3  PHE  22           HB3      PHE  22 -11.694  -3.080  -0.777
  164    HD1  PHE  22           HD1      PHE  22 -12.899  -4.700   0.291
  165    HD2  PHE  22           HD2      PHE  22 -14.321  -3.165  -3.397
  166    HE1  PHE  22           HE1      PHE  22 -14.880  -6.140   0.480
  167    HE2  PHE  22           HE2      PHE  22 -16.322  -4.617  -3.240
  168    HZ   PHE  22           HZ       PHE  22 -16.597  -6.104  -1.293
  169    H    LEU  23           H        LEU  23 -12.365  -1.090   0.633
  170    HA   LEU  23           HA       LEU  23 -14.978  -1.514   1.562
  171    HB2  LEU  23           HB2      LEU  23 -12.850   0.110   2.939
  172    HB3  LEU  23           HB3      LEU  23 -14.287  -0.564   3.676
  173    HG   LEU  23           HG       LEU  23 -11.895  -2.053   2.633
  174   HD11  LEU  23          HD11      LEU  23 -11.752  -2.854   4.941
  175   HD12  LEU  23          HD12      LEU  23 -13.113  -1.828   5.373
  176   HD13  LEU  23          HD13      LEU  23 -11.601  -1.103   4.833
  177   HD21  LEU  23          HD21      LEU  23 -13.843  -3.307   1.992
  178   HD22  LEU  23          HD22      LEU  23 -14.526  -3.131   3.605
  179   HD23  LEU  23          HD23      LEU  23 -13.066  -4.105   3.362
  180    H    ASN  24           H        ASN  24 -13.557   1.437   0.520
  181    HA   ASN  24           HA       ASN  24 -15.457   3.261   1.536
  182    HB2  ASN  24           HB2      ASN  24 -14.616   4.847  -0.013
  183    HB3  ASN  24           HB3      ASN  24 -13.268   3.843   0.517
  184   HD21  ASN  24          HD21      ASN  24 -14.275   1.617  -1.395
  185   HD22  ASN  24          HD22      ASN  24 -13.669   2.164  -2.896
  186    H    ALA  25           H        ALA  25 -16.093   0.837  -0.601
  187    HA   ALA  25           HA       ALA  25 -18.005   2.307  -2.240
  188    HB1  ALA  25           HB1      ALA  25 -16.492   0.756  -3.373
  189    HB2  ALA  25           HB2      ALA  25 -18.175   0.245  -3.526
  190    HB3  ALA  25           HB3      ALA  25 -17.108  -0.571  -2.386
  191    H    TRP  26           H        TRP  26 -18.199   1.499   0.678
  192    HA   TRP  26           HA       TRP  26 -20.277  -0.358   0.906
  193    HB2  TRP  26           HB2      TRP  26 -20.637   0.561   3.228
  194    HB3  TRP  26           HB3      TRP  26 -18.998   0.066   2.883
  195    HD1  TRP  26           HD1      TRP  26 -17.221   2.132   2.498
  196    HE1  TRP  26           HE1      TRP  26 -17.127   4.426   3.589
  197    HE3  TRP  26           HE3      TRP  26 -22.045   2.365   4.148
  198    HZ2  TRP  26           HZ2      TRP  26 -18.920   6.151   4.999
  199    HZ3  TRP  26           HZ3      TRP  26 -22.774   4.375   5.366
  200    HH2  TRP  26           HH2      TRP  26 -21.238   6.218   5.781
  Start of MODEL   18
    1    H1   LYS   1           HT1      LYS   1  21.645  -7.793  -1.392
    2    H2   LYS   1           HT2      LYS   1  20.039  -8.242  -1.037
    3    H3   LYS   1           HT3      LYS   1  21.231  -8.422   0.104
    4    HA   LYS   1           HA       LYS   1  21.535  -6.134   0.376
    5    HB2  LYS   1           HB2      LYS   1  20.047  -4.520  -0.823
    6    HB3  LYS   1           HB3      LYS   1  21.182  -5.328  -1.882
    7    HG2  LYS   1           HG2      LYS   1  19.399  -6.838  -2.628
    8    HG3  LYS   1           HG3      LYS   1  18.248  -6.002  -1.585
    9    HD2  LYS   1           HD2      LYS   1  18.564  -3.954  -2.873
   10    HD3  LYS   1           HD3      LYS   1  19.809  -4.735  -3.843
   11    HE2  LYS   1           HE2      LYS   1  17.745  -4.711  -5.094
   12    HE3  LYS   1           HE3      LYS   1  18.152  -6.360  -4.642
   13    HZ1  LYS   1           HZ1      LYS   1  16.160  -4.660  -3.258
   14    HZ2  LYS   1           HZ2      LYS   1  16.520  -6.265  -2.884
   15    HZ3  LYS   1           HZ3      LYS   1  15.805  -5.893  -4.346
   16    H    LYS   2           H        LYS   2  20.232  -4.921   1.813
   17    HA   LYS   2           HA       LYS   2  18.088  -6.520   2.960
   18    HB2  LYS   2           HB2      LYS   2  19.349  -3.962   3.952
   19    HB3  LYS   2           HB3      LYS   2  18.222  -4.970   4.847
   20    HG2  LYS   2           HG2      LYS   2  19.853  -6.815   4.769
   21    HG3  LYS   2           HG3      LYS   2  20.968  -5.721   3.935
   22    HD2  LYS   2           HD2      LYS   2  20.990  -4.238   5.861
   23    HD3  LYS   2           HD3      LYS   2  19.817  -5.263   6.665
   24    HE2  LYS   2           HE2      LYS   2  22.063  -5.687   7.518
   25    HE3  LYS   2           HE3      LYS   2  21.406  -7.105   6.709
   26    HZ1  LYS   2           HZ1      LYS   2  23.383  -5.207   5.518
   27    HZ2  LYS   2           HZ2      LYS   2  22.795  -6.606   4.786
   28    HZ3  LYS   2           HZ3      LYS   2  23.716  -6.712   6.172
   29    H    LYS   3           H        LYS   3  18.627  -3.974   1.027
   30    HA   LYS   3           HA       LYS   3  16.173  -2.531   1.366
   31    HB2  LYS   3           HB2      LYS   3  18.174  -1.475   0.393
   32    HB3  LYS   3           HB3      LYS   3  18.071  -2.556  -0.981
   33    HG2  LYS   3           HG2      LYS   3  15.962  -1.525  -1.642
   34    HG3  LYS   3           HG3      LYS   3  16.036  -0.463  -0.229
   35    HD2  LYS   3           HD2      LYS   3  18.151   0.455  -1.037
   36    HD3  LYS   3           HD3      LYS   3  18.058  -0.588  -2.456
   37    HE2  LYS   3           HE2      LYS   3  16.004   0.525  -3.152
   38    HE3  LYS   3           HE3      LYS   3  16.065   1.545  -1.714
   39    HZ1  LYS   3           HZ1      LYS   3  16.945   2.670  -3.655
   40    HZ2  LYS   3           HZ2      LYS   3  18.139   1.487  -3.837
   41    HZ3  LYS   3           HZ3      LYS   3  18.133   2.471  -2.489
   42    H    LYS   4           H        LYS   4  14.734  -4.180   1.354
   43    HA   LYS   4           HA       LYS   4  14.185  -6.040  -0.660
   44    HB2  LYS   4           HB2      LYS   4  11.848  -6.021   0.432
   45    HB3  LYS   4           HB3      LYS   4  13.227  -6.462   1.439
   46    HG2  LYS   4           HG2      LYS   4  13.271  -4.183   2.377
   47    HG3  LYS   4           HG3      LYS   4  11.901  -3.731   1.383
   48    HD2  LYS   4           HD2      LYS   4  11.878  -5.928   3.433
   49    HD3  LYS   4           HD3      LYS   4  11.394  -4.265   3.763
   50    HE2  LYS   4           HE2      LYS   4   9.619  -4.466   2.070
   51    HE3  LYS   4           HE3      LYS   4  10.120  -6.127   1.754
   52    HZ1  LYS   4           HZ1      LYS   4   8.228  -6.036   3.299
   53    HZ2  LYS   4           HZ2      LYS   4   9.114  -5.080   4.338
   54    HZ3  LYS   4           HZ3      LYS   4   9.597  -6.655   4.065
   55    H    GLN   5           H        GLN   5  12.815  -2.893  -0.064
   56    HA   GLN   5           HA       GLN   5  12.217  -2.227  -2.731
   57    HB2  GLN   5           HB2      GLN   5   9.761  -2.094  -2.409
   58    HB3  GLN   5           HB3      GLN   5  10.272  -3.768  -2.365
   59    HG2  GLN   5           HG2      GLN   5  10.256  -3.607   0.127
   60    HG3  GLN   5           HG3      GLN   5   9.525  -2.012  -0.041
   61   HE21  GLN   5          HE21      GLN   5   7.406  -1.878  -0.781
   62   HE22  GLN   5          HE22      GLN   5   6.369  -3.259  -0.806
   63    H    SER   6           H        SER   6  10.767  -0.148  -2.370
   64    HA   SER   6           HA       SER   6  12.132   1.288  -0.276
   65    HB2  SER   6           HB2      SER   6  11.091   3.265  -1.422
   66    HB3  SER   6           HB3      SER   6  12.163   2.298  -2.441
   67    HG   SER   6           HG       SER   6  10.524   1.567  -3.551
   68    H    TRP   7           H        TRP   7  11.035   2.570   1.204
   69    HA   TRP   7           HA       TRP   7   8.892   1.500   2.548
   70    HB2  TRP   7           HB2      TRP   7   8.757   3.743   3.708
   71    HB3  TRP   7           HB3      TRP   7  10.353   3.023   3.683
   72    HD1  TRP   7           HD1      TRP   7  12.223   4.231   2.142
   73    HE1  TRP   7           HE1      TRP   7  12.379   6.590   1.182
   74    HE3  TRP   7           HE3      TRP   7   7.362   5.700   2.777
   75    HZ2  TRP   7           HZ2      TRP   7  10.684   8.810   0.748
   76    HZ3  TRP   7           HZ3      TRP   7   6.729   7.962   2.064
   77    HH2  TRP   7           HH2      TRP   7   8.352   9.478   1.079
   78    H    TYR   8           H        TYR   8   8.870   3.896   0.014
   79    HA   TYR   8           HA       TYR   8   6.072   4.417   0.343
   80    HB2  TYR   8           HB2      TYR   8   6.217   5.845  -1.663
   81    HB3  TYR   8           HB3      TYR   8   7.478   6.227  -0.492
   82    HD1  TYR   8           HD1      TYR   8   9.808   5.927  -1.068
   83    HD2  TYR   8           HD2      TYR   8   6.750   4.749  -3.775
   84    HE1  TYR   8           HE1      TYR   8  11.476   5.719  -2.878
   85    HE2  TYR   8           HE2      TYR   8   8.404   4.529  -5.570
   86    HH   TYR   8           HH       TYR   8  10.540   5.380  -6.118
   87    H    ALA   9           H        ALA   9   7.843   2.100  -1.286
   88    HA   ALA   9           HA       ALA   9   5.926   1.428  -3.295
   89    HB1  ALA   9           HB1      ALA   9   8.277   0.665  -3.442
   90    HB2  ALA   9           HB2      ALA   9   7.155  -0.685  -3.518
   91    HB3  ALA   9           HB3      ALA   9   8.038  -0.358  -2.031
   92    H    ALA  10           H        ALA  10   6.493   0.418   0.056
   93    HA   ALA  10           HA       ALA  10   4.456  -1.522   0.063
   94    HB1  ALA  10           HB1      ALA  10   6.380  -1.644   1.592
   95    HB2  ALA  10           HB2      ALA  10   4.870  -1.519   2.494
   96    HB3  ALA  10           HB3      ALA  10   5.902  -0.104   2.302
   97    H    ALA  11           H        ALA  11   4.898   1.711   1.446
   98    HA   ALA  11           HA       ALA  11   2.384   2.060   2.538
   99    HB1  ALA  11           HB1      ALA  11   2.813   4.433   2.501
  100    HB2  ALA  11           HB2      ALA  11   4.054   4.215   1.276
  101    HB3  ALA  11           HB3      ALA  11   4.292   3.558   2.908
  102    H    GLY  12           H        GLY  12   3.373   2.838  -0.754
  103    HA2  GLY  12           HA2      GLY  12   0.982   4.051  -1.546
  104    HA3  GLY  12           HA3      GLY  12   2.149   3.283  -2.611
  105    H    ASP  13           H        ASP  13   2.124   0.764  -2.023
  106    HA   ASP  13           HA       ASP  13  -0.199  -0.177  -3.362
  107    HB2  ASP  13           HB2      ASP  13   2.154  -1.129  -3.477
  108    HB3  ASP  13           HB3      ASP  13   1.875  -1.787  -1.880
  109    H    ALA  14           H        ALA  14   0.994  -0.508  -0.174
  110    HA   ALA  14           HA       ALA  14  -0.951  -2.188   0.929
  111    HB1  ALA  14           HB1      ALA  14   1.270  -1.772   1.910
  112    HB2  ALA  14           HB2      ALA  14  -0.012  -1.544   3.107
  113    HB3  ALA  14           HB3      ALA  14   0.778  -0.156   2.340
  114    H    ILE  15           H        ILE  15  -0.802   1.348   0.816
  115    HA   ILE  15           HA       ILE  15  -3.178   1.603   2.395
  116    HB   ILE  15           HB       ILE  15  -1.650   3.660   0.794
  117   HG12  ILE  15          HG12      ILE  15  -1.954   3.345   3.774
  118   HG13  ILE  15          HG13      ILE  15  -0.595   2.709   2.842
  119   HG21  ILE  15          HG21      ILE  15  -3.998   4.366   0.880
  120   HG22  ILE  15          HG22      ILE  15  -2.995   5.387   1.913
  121   HG23  ILE  15          HG23      ILE  15  -4.004   4.127   2.630
  122   HD11  ILE  15          HD11      ILE  15  -1.399   5.572   3.099
  123   HD12  ILE  15          HD12      ILE  15  -0.090   4.902   2.111
  124   HD13  ILE  15          HD13      ILE  15  -0.020   4.756   3.883
  125    H    VAL  16           H        VAL  16  -2.481   1.695  -0.954
  126    HA   VAL  16           HA       VAL  16  -5.075   2.394  -1.801
  127    HB   VAL  16           HB       VAL  16  -3.136   0.599  -3.300
  128   HG11  VAL  16          HG11      VAL  16  -5.419   0.289  -4.142
  129   HG12  VAL  16          HG12      VAL  16  -4.455   1.173  -5.321
  130   HG13  VAL  16          HG13      VAL  16  -5.608   2.034  -4.299
  131   HG21  VAL  16          HG21      VAL  16  -2.251   2.810  -2.874
  132   HG22  VAL  16          HG22      VAL  16  -3.713   3.547  -3.537
  133   HG23  VAL  16          HG23      VAL  16  -2.629   2.628  -4.585
  134    H    SER  17           H        SER  17  -3.714  -0.729  -1.198
  135    HA   SER  17           HA       SER  17  -6.123  -2.098  -1.745
  136    HB2  SER  17           HB2      SER  17  -3.594  -2.970  -0.392
  137    HB3  SER  17           HB3      SER  17  -4.931  -4.061  -0.790
  138    HG   SER  17           HG       SER  17  -4.651  -2.943  -2.979
  139    H    PHE  18           H        PHE  18  -4.864  -0.557   1.044
  140    HA   PHE  18           HA       PHE  18  -6.462  -1.750   3.037
  141    HB2  PHE  18           HB2      PHE  18  -4.491   0.023   3.098
  142    HB3  PHE  18           HB3      PHE  18  -5.813   1.171   3.017
  143    HD1  PHE  18           HD1      PHE  18  -7.730   0.812   4.807
  144    HD2  PHE  18           HD2      PHE  18  -3.763  -0.656   5.155
  145    HE1  PHE  18           HE1      PHE  18  -7.994   0.664   7.250
  146    HE2  PHE  18           HE2      PHE  18  -4.026  -0.809   7.600
  147    HZ   PHE  18           HZ       PHE  18  -6.152  -0.144   8.642
  148    H    GLY  19           H        GLY  19  -6.842   0.976   0.824
  149    HA2  GLY  19           HA2      GLY  19  -9.441   1.797   1.571
  150    HA3  GLY  19           HA3      GLY  19  -8.635   2.132   0.041
  151    H    GLU  20           H        GLU  20  -8.234  -0.389  -0.940
  152    HA   GLU  20           HA       GLU  20 -10.671  -1.108  -2.077
  153    HB2  GLU  20           HB2      GLU  20  -8.217  -2.819  -1.743
  154    HB3  GLU  20           HB3      GLU  20  -9.540  -3.143  -2.846
  155    HG2  GLU  20           HG2      GLU  20  -9.031  -1.122  -4.086
  156    HG3  GLU  20           HG3      GLU  20  -7.724  -0.745  -2.968
  157    H    GLY  21           H        GLY  21  -9.054  -2.245   0.690
  158    HA2  GLY  21           HA2      GLY  21 -10.662  -4.468   1.384
  159    HA3  GLY  21           HA3      GLY  21  -9.755  -3.474   2.546
  160    H    PHE  22           H        PHE  22 -10.888  -1.147   2.372
  161    HA   PHE  22           HA       PHE  22 -13.315  -1.337   3.797
  162    HB2  PHE  22           HB2      PHE  22 -11.931   0.595   4.130
  163    HB3  PHE  22           HB3      PHE  22 -11.977   0.991   2.415
  164    HD1  PHE  22           HD1      PHE  22 -13.754   2.262   1.497
  165    HD2  PHE  22           HD2      PHE  22 -13.942   0.951   5.538
  166    HE1  PHE  22           HE1      PHE  22 -15.656   3.740   1.863
  167    HE2  PHE  22           HE2      PHE  22 -15.865   2.439   5.926
  168    HZ   PHE  22           HZ       PHE  22 -16.724   3.845   4.093
  169    H    LEU  23           H        LEU  23 -12.626  -0.698   0.438
  170    HA   LEU  23           HA       LEU  23 -15.218   0.037  -0.369
  171    HB2  LEU  23           HB2      LEU  23 -12.949  -1.045  -2.019
  172    HB3  LEU  23           HB3      LEU  23 -14.428  -0.373  -2.667
  173    HG   LEU  23           HG       LEU  23 -12.400   1.160  -1.025
  174   HD11  LEU  23          HD11      LEU  23 -11.939   2.352  -3.092
  175   HD12  LEU  23          HD12      LEU  23 -13.061   1.302  -3.948
  176   HD13  LEU  23          HD13      LEU  23 -11.588   0.631  -3.245
  177   HD21  LEU  23          HD21      LEU  23 -13.736   3.124  -1.636
  178   HD22  LEU  23          HD22      LEU  23 -14.648   1.987  -0.645
  179   HD23  LEU  23          HD23      LEU  23 -14.934   2.066  -2.387
  180    H    ASN  24           H        ASN  24 -14.212  -2.957   0.597
  181    HA   ASN  24           HA       ASN  24 -15.529  -4.780  -1.056
  182    HB2  ASN  24           HB2      ASN  24 -15.469  -6.351   0.730
  183    HB3  ASN  24           HB3      ASN  24 -14.031  -5.353   0.869
  184   HD21  ASN  24          HD21      ASN  24 -15.509  -3.082   2.221
  185   HD22  ASN  24          HD22      ASN  24 -15.794  -3.675   3.799
  186    H    ALA  25           H        ALA  25 -16.980  -2.342   0.712
  187    HA   ALA  25           HA       ALA  25 -19.457  -3.768   1.203
  188    HB1  ALA  25           HB1      ALA  25 -20.116  -1.841   2.457
  189    HB2  ALA  25           HB2      ALA  25 -18.698  -0.956   1.889
  190    HB3  ALA  25           HB3      ALA  25 -18.495  -2.333   2.960
  191    H    TRP  26           H        TRP  26 -18.045  -1.825  -1.190
  192    HA   TRP  26           HA       TRP  26 -20.666  -1.292  -2.350
  193    HB2  TRP  26           HB2      TRP  26 -18.450   0.769  -2.111
  194    HB3  TRP  26           HB3      TRP  26 -19.892   0.969  -3.088
  195    HD1  TRP  26           HD1      TRP  26 -18.601   1.419   0.385
  196    HE1  TRP  26           HE1      TRP  26 -20.466   2.358   1.892
  197    HE3  TRP  26           HE3      TRP  26 -22.573   0.760  -2.745
  198    HZ2  TRP  26           HZ2      TRP  26 -23.247   2.748   1.779
  199    HZ3  TRP  26           HZ3      TRP  26 -24.814   1.432  -1.961
  200    HH2  TRP  26           HH2      TRP  26 -25.135   2.411   0.249
  Start of MODEL   19
    1    H1   LYS   1           HT1      LYS   1 -15.425   6.455  -3.422
    2    H2   LYS   1           HT2      LYS   1 -15.772   7.582  -4.610
    3    H3   LYS   1           HT3      LYS   1 -16.831   6.314  -4.325
    4    HA   LYS   1           HA       LYS   1 -16.182   8.443  -2.409
    5    HB2  LYS   1           HB2      LYS   1 -18.651   8.038  -4.066
    6    HB3  LYS   1           HB3      LYS   1 -18.514   9.198  -2.761
    7    HG2  LYS   1           HG2      LYS   1 -16.722  10.372  -4.002
    8    HG3  LYS   1           HG3      LYS   1 -16.903   9.200  -5.302
    9    HD2  LYS   1           HD2      LYS   1 -19.070  11.040  -4.330
   10    HD3  LYS   1           HD3      LYS   1 -18.078  11.307  -5.764
   11    HE2  LYS   1           HE2      LYS   1 -18.919   9.227  -6.732
   12    HE3  LYS   1           HE3      LYS   1 -19.904   8.948  -5.298
   13    HZ1  LYS   1           HZ1      LYS   1 -20.173  11.257  -7.126
   14    HZ2  LYS   1           HZ2      LYS   1 -21.097  10.964  -5.760
   15    HZ3  LYS   1           HZ3      LYS   1 -21.203   9.917  -7.070
   16    H    LYS   2           H        LYS   2 -15.755   6.448  -1.099
   17    HA   LYS   2           HA       LYS   2 -17.663   6.349   0.878
   18    HB2  LYS   2           HB2      LYS   2 -18.872   4.733  -0.638
   19    HB3  LYS   2           HB3      LYS   2 -17.448   3.698  -0.602
   20    HG2  LYS   2           HG2      LYS   2 -17.726   3.295   1.744
   21    HG3  LYS   2           HG3      LYS   2 -19.028   4.478   1.831
   22    HD2  LYS   2           HD2      LYS   2 -20.391   3.060   0.323
   23    HD3  LYS   2           HD3      LYS   2 -19.085   1.873   0.289
   24    HE2  LYS   2           HE2      LYS   2 -19.307   1.505   2.664
   25    HE3  LYS   2           HE3      LYS   2 -20.511   2.785   2.777
   26    HZ1  LYS   2           HZ1      LYS   2 -21.482   0.579   2.768
   27    HZ2  LYS   2           HZ2      LYS   2 -20.841   0.249   1.262
   28    HZ3  LYS   2           HZ3      LYS   2 -22.020   1.454   1.443
   29    H    LYS   3           H        LYS   3 -16.010   6.941   2.014
   30    HA   LYS   3           HA       LYS   3 -14.286   6.872   3.333
   31    HB2  LYS   3           HB2      LYS   3 -14.714   3.902   3.143
   32    HB3  LYS   3           HB3      LYS   3 -13.341   4.544   4.029
   33    HG2  LYS   3           HG2      LYS   3 -15.174   4.086   5.553
   34    HG3  LYS   3           HG3      LYS   3 -14.862   5.816   5.464
   35    HD2  LYS   3           HD2      LYS   3 -16.771   5.978   3.832
   36    HD3  LYS   3           HD3      LYS   3 -17.115   4.281   4.173
   37    HE2  LYS   3           HE2      LYS   3 -17.072   6.509   6.209
   38    HE3  LYS   3           HE3      LYS   3 -18.511   5.835   5.472
   39    HZ1  LYS   3           HZ1      LYS   3 -18.088   4.939   7.633
   40    HZ2  LYS   3           HZ2      LYS   3 -16.596   4.321   7.144
   41    HZ3  LYS   3           HZ3      LYS   3 -18.027   3.728   6.465
   42    H    LYS   4           H        LYS   4 -13.059   4.092   1.473
   43    HA   LYS   4           HA       LYS   4 -11.601   5.817  -0.174
   44    HB2  LYS   4           HB2      LYS   4  -9.304   5.221   0.548
   45    HB3  LYS   4           HB3      LYS   4 -10.225   6.271   1.611
   46    HG2  LYS   4           HG2      LYS   4 -10.696   4.261   3.034
   47    HG3  LYS   4           HG3      LYS   4  -9.541   3.369   2.028
   48    HD2  LYS   4           HD2      LYS   4  -8.388   4.177   3.994
   49    HD3  LYS   4           HD3      LYS   4  -7.821   5.088   2.599
   50    HE2  LYS   4           HE2      LYS   4  -9.430   6.914   3.184
   51    HE3  LYS   4           HE3      LYS   4  -9.864   6.012   4.628
   52    HZ1  LYS   4           HZ1      LYS   4  -7.188   7.138   3.993
   53    HZ2  LYS   4           HZ2      LYS   4  -7.571   6.281   5.392
   54    HZ3  LYS   4           HZ3      LYS   4  -8.326   7.745   5.065
   55    H    GLN   5           H        GLN   5 -11.288   2.488   0.978
   56    HA   GLN   5           HA       GLN   5 -11.677   1.489  -1.592
   57    HB2  GLN   5           HB2      GLN   5  -9.352   0.678  -2.026
   58    HB3  GLN   5           HB3      GLN   5  -9.593   2.405  -2.162
   59    HG2  GLN   5           HG2      GLN   5  -8.593   2.718   0.061
   60    HG3  GLN   5           HG3      GLN   5  -8.308   0.975   0.152
   61   HE21  GLN   5          HE21      GLN   5  -6.069   1.439   0.354
   62   HE22  GLN   5          HE22      GLN   5  -5.130   1.816  -1.034
   63    H    SER   6           H        SER   6 -11.633  -0.712  -1.682
   64    HA   SER   6           HA       SER   6 -12.383  -2.113   0.604
   65    HB2  SER   6           HB2      SER   6 -11.448  -3.194  -2.039
   66    HB3  SER   6           HB3      SER   6 -12.495  -4.005  -0.880
   67    HG   SER   6           HG       SER   6 -14.067  -3.066  -1.874
   68    H    TRP   7           H        TRP   7 -11.391  -4.191   1.312
   69    HA   TRP   7           HA       TRP   7  -8.964  -3.938   2.526
   70    HB2  TRP   7           HB2      TRP   7  -9.006  -6.388   2.885
   71    HB3  TRP   7           HB3      TRP   7 -10.525  -5.601   3.271
   72    HD1  TRP   7           HD1      TRP   7 -12.601  -6.148   1.650
   73    HE1  TRP   7           HE1      TRP   7 -13.087  -8.080   0.047
   74    HE3  TRP   7           HE3      TRP   7  -7.908  -8.051   1.289
   75    HZ2  TRP   7           HZ2      TRP   7 -11.651 -10.169  -1.222
   76    HZ3  TRP   7           HZ3      TRP   7  -7.540 -10.025  -0.142
   77    HH2  TRP   7           HH2      TRP   7  -9.373 -11.055  -1.363
   78    H    TYR   8           H        TYR   8  -9.505  -5.472  -0.572
   79    HA   TYR   8           HA       TYR   8  -6.800  -6.368  -0.826
   80    HB2  TYR   8           HB2      TYR   8  -7.359  -6.891  -3.207
   81    HB3  TYR   8           HB3      TYR   8  -8.468  -7.599  -2.045
   82    HD1  TYR   8           HD1      TYR   8 -10.757  -6.901  -1.944
   83    HD2  TYR   8           HD2      TYR   8  -8.094  -5.062  -4.687
   84    HE1  TYR   8           HE1      TYR   8 -12.671  -5.879  -3.121
   85    HE2  TYR   8           HE2      TYR   8  -9.986  -4.045  -5.868
   86    HH   TYR   8           HH       TYR   8 -12.328  -4.414  -6.155
   87    H    ALA   9           H        ALA   9  -8.447  -3.567  -1.686
   88    HA   ALA   9           HA       ALA   9  -6.463  -2.528  -3.459
   89    HB1  ALA   9           HB1      ALA   9  -8.728  -1.188  -2.015
   90    HB2  ALA   9           HB2      ALA   9  -8.782  -1.810  -3.664
   91    HB3  ALA   9           HB3      ALA   9  -7.765  -0.415  -3.274
   92    H    ALA  10           H        ALA  10  -7.324  -2.130  -0.008
   93    HA   ALA  10           HA       ALA  10  -5.409  -0.231   0.599
   94    HB1  ALA  10           HB1      ALA  10  -7.377  -0.653   1.977
   95    HB2  ALA  10           HB2      ALA  10  -5.894  -0.888   2.906
   96    HB3  ALA  10           HB3      ALA  10  -6.799  -2.283   2.320
   97    H    ALA  11           H        ALA  11  -5.548  -3.754   0.958
   98    HA   ALA  11           HA       ALA  11  -2.974  -4.147   1.998
   99    HB1  ALA  11           HB1      ALA  11  -4.477  -5.967   0.123
  100    HB2  ALA  11           HB2      ALA  11  -4.711  -5.899   1.870
  101    HB3  ALA  11           HB3      ALA  11  -3.162  -6.421   1.204
  102    H    GLY  12           H        GLY  12  -3.974  -4.066  -1.372
  103    HA2  GLY  12           HA2      GLY  12  -1.424  -4.584  -2.404
  104    HA3  GLY  12           HA3      GLY  12  -2.729  -3.772  -3.265
  105    H    ASP  13           H        ASP  13  -3.107  -1.512  -2.021
  106    HA   ASP  13           HA       ASP  13  -1.020   0.155  -2.939
  107    HB2  ASP  13           HB2      ASP  13  -3.335   0.892  -2.925
  108    HB3  ASP  13           HB3      ASP  13  -3.394   0.722  -1.178
  109    H    ALA  14           H        ALA  14  -2.035  -0.682   0.222
  110    HA   ALA  14           HA       ALA  14  -0.282   0.909   1.722
  111    HB1  ALA  14           HB1      ALA  14  -0.974  -0.415   3.633
  112    HB2  ALA  14           HB2      ALA  14  -1.419  -1.747   2.553
  113    HB3  ALA  14           HB3      ALA  14  -2.360  -0.299   2.519
  114    H    ILE  15           H        ILE  15   0.063  -2.396   0.579
  115    HA   ILE  15           HA       ILE  15   2.615  -2.756   1.820
  116    HB   ILE  15           HB       ILE  15   1.198  -4.399  -0.290
  117   HG12  ILE  15          HG12      ILE  15   1.646  -4.986   2.624
  118   HG13  ILE  15          HG13      ILE  15   0.167  -4.269   1.974
  119   HG21  ILE  15          HG21      ILE  15   3.695  -5.100   1.264
  120   HG22  ILE  15          HG22      ILE  15   3.597  -4.789  -0.477
  121   HG23  ILE  15          HG23      ILE  15   2.778  -6.191   0.222
  122   HD11  ILE  15          HD11      ILE  15   1.311  -6.959   1.314
  123   HD12  ILE  15          HD12      ILE  15  -0.105  -6.208   0.570
  124   HD13  ILE  15          HD13      ILE  15  -0.142  -6.636   2.290
  125    H    VAL  16           H        VAL  16   1.526  -1.894  -1.325
  126    HA   VAL  16           HA       VAL  16   4.007  -1.792  -2.614
  127    HB   VAL  16           HB       VAL  16   1.601   0.008  -3.062
  128   HG11  VAL  16          HG11      VAL  16   3.627   1.211  -3.805
  129   HG12  VAL  16          HG12      VAL  16   2.654   0.704  -5.184
  130   HG13  VAL  16          HG13      VAL  16   4.111  -0.193  -4.755
  131   HG21  VAL  16          HG21      VAL  16   2.733  -2.297  -4.644
  132   HG22  VAL  16          HG22      VAL  16   1.314  -1.339  -5.082
  133   HG23  VAL  16          HG23      VAL  16   1.292  -2.333  -3.624
  134    H    SER  17           H        SER  17   2.446   0.690  -0.763
  135    HA   SER  17           HA       SER  17   4.614   2.508  -1.003
  136    HB2  SER  17           HB2      SER  17   2.224   2.494   0.829
  137    HB3  SER  17           HB3      SER  17   3.391   3.813   0.719
  138    HG   SER  17           HG       SER  17   2.896   3.486  -1.682
  139    H    PHE  18           H        PHE  18   3.853  -0.030   1.171
  140    HA   PHE  18           HA       PHE  18   5.583   0.599   3.308
  141    HB2  PHE  18           HB2      PHE  18   3.751  -1.232   2.990
  142    HB3  PHE  18           HB3      PHE  18   5.051  -2.181   2.298
  143    HD1  PHE  18           HD1      PHE  18   3.277  -1.646   5.139
  144    HD2  PHE  18           HD2      PHE  18   7.291  -2.115   3.876
  145    HE1  PHE  18           HE1      PHE  18   3.903  -2.344   7.421
  146    HE2  PHE  18           HE2      PHE  18   7.934  -2.834   6.147
  147    HZ   PHE  18           HZ       PHE  18   6.237  -2.954   7.919
  148    H    GLY  19           H        GLY  19   5.906  -1.269   0.329
  149    HA2  GLY  19           HA2      GLY  19   8.622  -1.951   0.572
  150    HA3  GLY  19           HA3      GLY  19   7.686  -1.908  -0.925
  151    H    GLU  20           H        GLU  20   6.985   0.740  -1.045
  152    HA   GLU  20           HA       GLU  20   9.242   2.008  -2.122
  153    HB2  GLU  20           HB2      GLU  20   6.734   3.300  -1.065
  154    HB3  GLU  20           HB3      GLU  20   7.892   4.037  -2.159
  155    HG2  GLU  20           HG2      GLU  20   7.343   2.370  -3.855
  156    HG3  GLU  20           HG3      GLU  20   6.182   1.638  -2.747
  157    H    GLY  21           H        GLY  21   7.801   2.183   0.968
  158    HA2  GLY  21           HA2      GLY  21   9.359   4.204   2.162
  159    HA3  GLY  21           HA3      GLY  21   8.585   2.873   3.029
  160    H    PHE  22           H        PHE  22   9.755   0.752   2.190
  161    HA   PHE  22           HA       PHE  22  12.205   0.582   3.539
  162    HB2  PHE  22           HB2      PHE  22  10.931  -1.423   3.265
  163    HB3  PHE  22           HB3      PHE  22  10.895  -1.240   1.518
  164    HD1  PHE  22           HD1      PHE  22  12.580  -2.120   0.166
  165    HD2  PHE  22           HD2      PHE  22  13.079  -2.042   4.382
  166    HE1  PHE  22           HE1      PHE  22  14.541  -3.530  -0.064
  167    HE2  PHE  22           HE2      PHE  22  15.071  -3.469   4.169
  168    HZ   PHE  22           HZ       PHE  22  15.807  -4.217   1.945
  169    H    LEU  23           H        LEU  23  11.486   1.060   0.160
  170    HA   LEU  23           HA       LEU  23  14.044   0.653  -0.869
  171    HB2  LEU  23           HB2      LEU  23  11.764   2.241  -2.001
  172    HB3  LEU  23           HB3      LEU  23  13.238   1.891  -2.888
  173    HG   LEU  23           HG       LEU  23  11.222  -0.110  -1.884
  174   HD11  LEU  23          HD11      LEU  23  11.913   0.782  -4.671
  175   HD12  LEU  23          HD12      LEU  23  10.416   1.104  -3.796
  176   HD13  LEU  23          HD13      LEU  23  10.837  -0.548  -4.249
  177   HD21  LEU  23          HD21      LEU  23  12.557  -1.761  -3.125
  178   HD22  LEU  23          HD22      LEU  23  13.415  -1.091  -1.750
  179   HD23  LEU  23          HD23      LEU  23  13.808  -0.543  -3.384
  180    H    ASN  24           H        ASN  24  13.106   3.169   1.073
  181    HA   ASN  24           HA       ASN  24  14.575   5.347   0.054
  182    HB2  ASN  24           HB2      ASN  24  14.446   6.341   2.207
  183    HB3  ASN  24           HB3      ASN  24  12.954   5.451   2.000
  184   HD21  ASN  24          HD21      ASN  24  14.318   2.825   2.674
  185   HD22  ASN  24          HD22      ASN  24  14.568   2.872   4.366
  186    H    ALA  25           H        ALA  25  15.711   2.412   1.265
  187    HA   ALA  25           HA       ALA  25  18.253   3.482   2.239
  188    HB1  ALA  25           HB1      ALA  25  17.036   1.973   3.716
  189    HB2  ALA  25           HB2      ALA  25  18.555   1.243   3.200
  190    HB3  ALA  25           HB3      ALA  25  17.037   0.726   2.468
  191    H    TRP  26           H        TRP  26  17.367   3.206  -0.558
  192    HA   TRP  26           HA       TRP  26  18.857   1.111  -1.755
  193    HB2  TRP  26           HB2      TRP  26  18.347   2.173  -3.917
  194    HB3  TRP  26           HB3      TRP  26  16.915   2.052  -2.916
  195    HD1  TRP  26           HD1      TRP  26  16.597   4.665  -1.454
  196    HE1  TRP  26           HE1      TRP  26  16.485   6.948  -2.615
  197    HE3  TRP  26           HE3      TRP  26  18.892   3.448  -5.838
  198    HZ2  TRP  26           HZ2      TRP  26  17.271   8.085  -5.068
  199    HZ3  TRP  26           HZ3      TRP  26  19.164   5.178  -7.542
  200    HH2  TRP  26           HH2      TRP  26  18.375   7.456  -7.167
  Start of MODEL   20
    1    H1   LYS   1           HT1      LYS   1 -19.247  -9.947   0.998
    2    H2   LYS   1           HT2      LYS   1 -19.240 -10.524  -0.577
    3    H3   LYS   1           HT3      LYS   1 -20.478  -9.493  -0.073
    4    HA   LYS   1           HA       LYS   1 -18.933  -8.348  -1.444
    5    HB2  LYS   1           HB2      LYS   1 -18.414  -6.486   0.071
    6    HB3  LYS   1           HB3      LYS   1 -20.024  -7.104   0.385
    7    HG2  LYS   1           HG2      LYS   1 -19.171  -8.327   2.321
    8    HG3  LYS   1           HG3      LYS   1 -17.552  -7.699   2.006
    9    HD2  LYS   1           HD2      LYS   1 -18.410  -5.408   2.318
   10    HD3  LYS   1           HD3      LYS   1 -20.007  -6.074   2.675
   11    HE2  LYS   1           HE2      LYS   1 -19.056  -7.305   4.563
   12    HE3  LYS   1           HE3      LYS   1 -17.480  -6.605   4.224
   13    HZ1  LYS   1           HZ1      LYS   1 -19.910  -5.087   4.982
   14    HZ2  LYS   1           HZ2      LYS   1 -18.377  -4.426   4.687
   15    HZ3  LYS   1           HZ3      LYS   1 -18.613  -5.446   5.982
   16    H    LYS   2           H        LYS   2 -16.770  -7.608  -1.753
   17    HA   LYS   2           HA       LYS   2 -14.752  -9.327  -0.458
   18    HB2  LYS   2           HB2      LYS   2 -13.450  -9.112  -2.495
   19    HB3  LYS   2           HB3      LYS   2 -15.026  -9.807  -2.842
   20    HG2  LYS   2           HG2      LYS   2 -15.803  -7.722  -3.749
   21    HG3  LYS   2           HG3      LYS   2 -14.326  -6.900  -3.253
   22    HD2  LYS   2           HD2      LYS   2 -14.525  -9.129  -5.284
   23    HD3  LYS   2           HD3      LYS   2 -14.307  -7.414  -5.651
   24    HE2  LYS   2           HE2      LYS   2 -12.373  -9.208  -4.175
   25    HE3  LYS   2           HE3      LYS   2 -12.195  -8.584  -5.803
   26    HZ1  LYS   2           HZ1      LYS   2 -10.906  -7.335  -4.201
   27    HZ2  LYS   2           HZ2      LYS   2 -12.303  -6.861  -3.375
   28    HZ3  LYS   2           HZ3      LYS   2 -12.051  -6.363  -4.952
   29    H    LYS   3           H        LYS   3 -15.921  -6.547   0.032
   30    HA   LYS   3           HA       LYS   3 -13.445  -5.017  -0.151
   31    HB2  LYS   3           HB2      LYS   3 -16.285  -4.057   0.141
   32    HB3  LYS   3           HB3      LYS   3 -14.864  -3.016   0.146
   33    HG2  LYS   3           HG2      LYS   3 -14.315  -3.775  -2.121
   34    HG3  LYS   3           HG3      LYS   3 -15.769  -4.778  -2.112
   35    HD2  LYS   3           HD2      LYS   3 -17.147  -2.790  -1.873
   36    HD3  LYS   3           HD3      LYS   3 -15.696  -1.782  -1.823
   37    HE2  LYS   3           HE2      LYS   3 -15.111  -2.527  -4.093
   38    HE3  LYS   3           HE3      LYS   3 -16.551  -3.527  -4.131
   39    HZ1  LYS   3           HZ1      LYS   3 -16.862  -1.412  -5.270
   40    HZ2  LYS   3           HZ2      LYS   3 -16.592  -0.590  -3.806
   41    HZ3  LYS   3           HZ3      LYS   3 -17.916  -1.613  -3.981
   42    H    LYS   4           H        LYS   4 -12.349  -4.915   1.559
   43    HA   LYS   4           HA       LYS   4 -13.680  -4.649   4.162
   44    HB2  LYS   4           HB2      LYS   4 -11.640  -5.632   5.165
   45    HB3  LYS   4           HB3      LYS   4 -12.455  -6.755   4.085
   46    HG2  LYS   4           HG2      LYS   4 -10.803  -6.228   2.332
   47    HG3  LYS   4           HG3      LYS   4  -9.987  -5.139   3.451
   48    HD2  LYS   4           HD2      LYS   4 -10.380  -8.104   3.872
   49    HD3  LYS   4           HD3      LYS   4  -8.901  -7.347   3.282
   50    HE2  LYS   4           HE2      LYS   4  -8.663  -6.127   5.364
   51    HE3  LYS   4           HE3      LYS   4 -10.171  -6.808   5.961
   52    HZ1  LYS   4           HZ1      LYS   4  -7.767  -8.384   5.252
   53    HZ2  LYS   4           HZ2      LYS   4  -9.195  -8.990   5.895
   54    HZ3  LYS   4           HZ3      LYS   4  -8.218  -7.979   6.816
   55    H    GLN   5           H        GLN   5 -11.663  -3.315   1.791
   56    HA   GLN   5           HA       GLN   5 -11.084  -0.995   3.440
   57    HB2  GLN   5           HB2      GLN   5  -9.197  -2.464   1.583
   58    HB3  GLN   5           HB3      GLN   5  -8.948  -0.812   2.062
   59    HG2  GLN   5           HG2      GLN   5  -8.702  -1.497   4.384
   60    HG3  GLN   5           HG3      GLN   5  -9.033  -3.168   3.938
   61   HE21  GLN   5          HE21      GLN   5  -6.680  -1.865   5.119
   62   HE22  GLN   5          HE22      GLN   5  -5.338  -2.308   4.121
   63    H    SER   6           H        SER   6 -11.587   0.801   2.384
   64    HA   SER   6           HA       SER   6 -12.720   0.674  -0.243
   65    HB2  SER   6           HB2      SER   6 -12.008   3.086   1.440
   66    HB3  SER   6           HB3      SER   6 -13.104   3.050   0.057
   67    HG   SER   6           HG       SER   6 -13.456   2.183   2.655
   68    H    TRP   7           H        TRP   7 -11.859   2.507  -1.817
   69    HA   TRP   7           HA       TRP   7  -9.373   1.771  -2.754
   70    HB2  TRP   7           HB2      TRP   7  -9.495   3.833  -4.190
   71    HB3  TRP   7           HB3      TRP   7 -10.947   2.841  -4.247
   72    HD1  TRP   7           HD1      TRP   7 -13.142   3.859  -3.059
   73    HE1  TRP   7           HE1      TRP   7 -13.802   6.256  -2.478
   74    HE3  TRP   7           HE3      TRP   7  -8.573   6.094  -3.495
   75    HZ2  TRP   7           HZ2      TRP   7 -12.586   8.763  -2.247
   76    HZ3  TRP   7           HZ3      TRP   7  -8.413   8.500  -3.075
   77    HH2  TRP   7           HH2      TRP   7 -10.384   9.814  -2.466
   78    H    TYR   8           H        TYR   8 -10.157   4.425  -0.626
   79    HA   TYR   8           HA       TYR   8  -7.500   5.475  -0.644
   80    HB2  TYR   8           HB2      TYR   8  -8.283   6.984   1.204
   81    HB3  TYR   8           HB3      TYR   8  -9.267   7.068  -0.252
   82    HD1  TYR   8           HD1      TYR   8 -11.556   6.295  -0.225
   83    HD2  TYR   8           HD2      TYR   8  -9.158   6.000   3.274
   84    HE1  TYR   8           HE1      TYR   8 -13.569   5.863   1.107
   85    HE2  TYR   8           HE2      TYR   8 -11.167   5.558   4.623
   86    HH   TYR   8           HH       TYR   8 -13.572   5.963   4.483
   87    H    ALA   9           H        ALA   9  -9.167   3.219   1.231
   88    HA   ALA   9           HA       ALA   9  -7.369   3.196   3.467
   89    HB1  ALA   9           HB1      ALA   9  -9.396   1.160   2.565
   90    HB2  ALA   9           HB2      ALA   9  -9.665   2.449   3.729
   91    HB3  ALA   9           HB3      ALA   9  -8.552   1.125   4.115
   92    H    ALA  10           H        ALA  10  -7.815   1.298   0.510
   93    HA   ALA  10           HA       ALA  10  -5.686  -0.486   0.915
   94    HB1  ALA  10           HB1      ALA  10  -6.949   0.528  -1.633
   95    HB2  ALA  10           HB2      ALA  10  -7.509  -0.865  -0.709
   96    HB3  ALA  10           HB3      ALA  10  -5.915  -0.892  -1.475
   97    H    ALA  11           H        ALA  11  -6.024   2.567  -0.848
   98    HA   ALA  11           HA       ALA  11  -3.420   2.807  -1.776
   99    HB1  ALA  11           HB1      ALA  11  -5.168   5.078  -0.825
  100    HB2  ALA  11           HB2      ALA  11  -5.263   4.332  -2.413
  101    HB3  ALA  11           HB3      ALA  11  -3.799   5.194  -1.926
  102    H    GLY  12           H        GLY  12  -4.693   3.753   1.366
  103    HA2  GLY  12           HA2      GLY  12  -2.447   4.992   2.402
  104    HA3  GLY  12           HA3      GLY  12  -3.660   4.143   3.352
  105    H    ASP  13           H        ASP  13  -3.428   1.615   2.748
  106    HA   ASP  13           HA       ASP  13  -0.982   0.881   4.070
  107    HB2  ASP  13           HB2      ASP  13  -3.139  -0.414   4.340
  108    HB3  ASP  13           HB3      ASP  13  -2.944  -0.950   2.687
  109    H    ALA  14           H        ALA  14  -2.230   0.458   0.920
  110    HA   ALA  14           HA       ALA  14  -0.303  -1.178  -0.218
  111    HB1  ALA  14           HB1      ALA  14  -1.853   0.927  -1.717
  112    HB2  ALA  14           HB2      ALA  14  -2.585  -0.519  -1.137
  113    HB3  ALA  14           HB3      ALA  14  -1.269  -0.624  -2.340
  114    H    ILE  15           H        ILE  15  -0.387   2.378  -0.130
  115    HA   ILE  15           HA       ILE  15   2.033   2.563  -1.643
  116    HB   ILE  15           HB       ILE  15   0.577   4.682  -0.048
  117   HG12  ILE  15          HG12      ILE  15   0.695   4.254  -3.027
  118   HG13  ILE  15          HG13      ILE  15  -0.617   3.693  -1.993
  119   HG21  ILE  15          HG21      ILE  15   1.919   6.321  -1.315
  120   HG22  ILE  15          HG22      ILE  15   2.818   4.999  -2.062
  121   HG23  ILE  15          HG23      ILE  15   2.953   5.289  -0.323
  122   HD11  ILE  15          HD11      ILE  15  -1.217   5.767  -3.073
  123   HD12  ILE  15          HD12      ILE  15   0.239   6.531  -2.404
  124   HD13  ILE  15          HD13      ILE  15  -1.046   5.976  -1.323
  125    H    VAL  16           H        VAL  16   1.206   2.762   1.688
  126    HA   VAL  16           HA       VAL  16   3.799   3.372   2.649
  127    HB   VAL  16           HB       VAL  16   1.601   1.819   4.065
  128   HG11  VAL  16          HG11      VAL  16   4.124   3.020   5.231
  129   HG12  VAL  16          HG12      VAL  16   3.786   1.303   5.055
  130   HG13  VAL  16          HG13      VAL  16   2.809   2.285   6.149
  131   HG21  VAL  16          HG21      VAL  16   2.448   4.716   4.236
  132   HG22  VAL  16          HG22      VAL  16   1.244   3.941   5.264
  133   HG23  VAL  16          HG23      VAL  16   0.948   4.092   3.543
  134    H    SER  17           H        SER  17   2.254   0.347   2.043
  135    HA   SER  17           HA       SER  17   4.439  -1.257   2.827
  136    HB2  SER  17           HB2      SER  17   2.027  -1.894   1.118
  137    HB3  SER  17           HB3      SER  17   3.143  -3.087   1.776
  138    HG   SER  17           HG       SER  17   1.016  -2.145   3.008
  139    H    PHE  18           H        PHE  18   3.630   0.420  -0.069
  140    HA   PHE  18           HA       PHE  18   5.260  -0.993  -1.913
  141    HB2  PHE  18           HB2      PHE  18   3.381   0.834  -2.197
  142    HB3  PHE  18           HB3      PHE  18   4.711   1.962  -2.074
  143    HD1  PHE  18           HD1      PHE  18   2.660   0.521  -4.285
  144    HD2  PHE  18           HD2      PHE  18   6.823   1.033  -3.658
  145    HE1  PHE  18           HE1      PHE  18   3.046   0.229  -6.695
  146    HE2  PHE  18           HE2      PHE  18   7.228   0.751  -6.075
  147    HZ   PHE  18           HZ       PHE  18   5.336   0.343  -7.594
  148    H    GLY  19           H        GLY  19   5.680   1.877   0.130
  149    HA2  GLY  19           HA2      GLY  19   8.366   2.433  -0.543
  150    HA3  GLY  19           HA3      GLY  19   7.512   2.993   0.891
  151    H    GLU  20           H        GLU  20   6.886   0.647   2.107
  152    HA   GLU  20           HA       GLU  20   9.229  -0.099   3.453
  153    HB2  GLU  20           HB2      GLU  20   6.602  -1.543   3.170
  154    HB3  GLU  20           HB3      GLU  20   7.836  -2.010   4.318
  155    HG2  GLU  20           HG2      GLU  20   6.460   0.668   4.278
  156    HG3  GLU  20           HG3      GLU  20   6.005  -0.682   5.316
  157    H    GLY  21           H        GLY  21   7.536  -1.484   0.834
  158    HA2  GLY  21           HA2      GLY  21   9.045  -3.857   0.478
  159    HA3  GLY  21           HA3      GLY  21   8.028  -3.099  -0.741
  160    H    PHE  22           H        PHE  22   9.781  -0.610  -0.255
  161    HA   PHE  22           HA       PHE  22  11.698  -1.194  -2.309
  162    HB2  PHE  22           HB2      PHE  22  10.700   0.985  -2.371
  163    HB3  PHE  22           HB3      PHE  22  11.067   1.261  -0.682
  164    HD1  PHE  22           HD1      PHE  22  12.835   0.596  -3.907
  165    HD2  PHE  22           HD2      PHE  22  12.842   2.555  -0.138
  166    HE1  PHE  22           HE1      PHE  22  14.918   1.762  -4.519
  167    HE2  PHE  22           HE2      PHE  22  14.928   3.715  -0.728
  168    HZ   PHE  22           HZ       PHE  22  15.975   3.318  -2.919
  169    H    LEU  23           H        LEU  23  11.668  -0.800   1.127
  170    HA   LEU  23           HA       LEU  23  14.466  -0.376   1.473
  171    HB2  LEU  23           HB2      LEU  23  12.417  -1.236   3.502
  172    HB3  LEU  23           HB3      LEU  23  14.016  -0.603   3.834
  173    HG   LEU  23           HG       LEU  23  11.732   0.908   2.576
  174   HD11  LEU  23          HD11      LEU  23  13.068   1.187   5.247
  175   HD12  LEU  23          HD12      LEU  23  11.449   0.557   4.943
  176   HD13  LEU  23          HD13      LEU  23  11.822   2.245   4.589
  177   HD21  LEU  23          HD21      LEU  23  14.527   1.823   3.233
  178   HD22  LEU  23          HD22      LEU  23  13.201   2.852   2.674
  179   HD23  LEU  23          HD23      LEU  23  13.849   1.589   1.619
  180    H    ASN  24           H        ASN  24  12.786  -3.090   0.731
  181    HA   ASN  24           HA       ASN  24  14.111  -5.051   2.306
  182    HB2  ASN  24           HB2      ASN  24  13.074  -6.678   0.981
  183    HB3  ASN  24           HB3      ASN  24  11.942  -5.331   1.015
  184   HD21  ASN  24          HD21      ASN  24  13.455  -3.746  -1.136
  185   HD22  ASN  24          HD22      ASN  24  13.160  -4.664  -2.560
  186    H    ALA  25           H        ALA  25  15.303  -3.134  -0.123
  187    HA   ALA  25           HA       ALA  25  17.047  -5.159  -1.259
  188    HB1  ALA  25           HB1      ALA  25  17.680  -3.468  -2.876
  189    HB2  ALA  25           HB2      ALA  25  16.721  -2.259  -2.016
  190    HB3  ALA  25           HB3      ALA  25  15.926  -3.637  -2.785
  191    H    TRP  26           H        TRP  26  17.122  -2.640   1.116
  192    HA   TRP  26           HA       TRP  26  19.781  -3.247   1.704
  193    HB2  TRP  26           HB2      TRP  26  20.731  -0.991   1.384
  194    HB3  TRP  26           HB3      TRP  26  20.271  -1.783  -0.115
  195    HD1  TRP  26           HD1      TRP  26  17.340  -0.869  -0.544
  196    HE1  TRP  26           HE1      TRP  26  16.751   1.611  -0.907
  197    HE3  TRP  26           HE3      TRP  26  21.481   1.238   1.523
  198    HZ2  TRP  26           HZ2      TRP  26  17.906   4.124  -0.393
  199    HZ3  TRP  26           HZ3      TRP  26  21.680   3.696   1.545
  200    HH2  TRP  26           HH2      TRP  26  19.929   5.106   0.601