*HEADER    TOXIN                                   01-JUN-11   2LDS              
*TITLE     SOLUTION STRUCTURE OF A SHORT-CHAIN LAIT1 FROM THE VENOM OF SCORPION  
*TITLE    2 LIOCHELES AUSTRALASIAE                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INSECTICIDAL TOXIN LAIT1;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: LIOCHELES AUSTRALASIAE;                         
*SOURCE   3 ORGANISM_COMMON: WOOD SCORPION;                                      
*SOURCE   4 ORGANISM_TAXID: 431266;                                              
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET32A                                     
*KEYWDS    INHIBITOR CYSTINE KNOT (ICK) FOLD, SCORPION TOXIN, TOXIN              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    S.HORITA, T.MIYAKAWA, K.NAGATA, M.TANOKURA                            
*REVDAT   1   14-SEP-11 2LDS    0                                                


 22 LYS  H      22 LYS  QG      7.83            #peak     3
  5 SER  QB      6 LYS  H       3.73            #peak    45
 12 VAL  H      12 VAL  QQG     8.01            #peak    60
 12 VAL  HB     13 ARG  H       4.30            #peak    63
 12 VAL  QQG    13 ARG  H       8.89            #peak    64
 22 LYS  H      29 CYSS HA      6.90            #peak    80
 24 ASN  H      29 CYSS HA      6.06            #peak    84
 26 ALA  QB     27 GLN  H       8.02            #peak    89
  1 ASP  H       2 PHE  HA      4.97            #peak    98
  8 TYR  QB      9 GLU  H       7.88            #peak   107
 12 VAL  H      13 ARG  HA      6.69            #peak   112
  5 SER  QB     17 CYSS H       7.88            #peak   115
  5 SER  QB     18 GLN  H       7.88            #peak   118
 28 ILE  QG2    30 VAL  H       6.51            #peak   119
 11 CYSS H      12 VAL  H       4.61            #peak   126
 35 GLY  H      36 TRP  H       5.28            #peak   128
 33 LYS  H      34 LYS  H       4.76            #peak   130
 22 LYS  H      30 VAL  H       5.23            #peak   131
  4 LEU  H       4 LEU  HG      6.43            #peak   138
  6 LYS  H       6 LYS  QD      7.88            #peak   144
  8 TYR  H      28 ILE  QG2     7.97            #peak   151
  7 GLU  QB      8 TYR  H       7.20            #peak   154
  8 TYR  H      28 ILE  HB      7.00            #peak   155
  9 GLU  H      28 ILE  QG2     8.02            #peak   159
  8 TYR  H       9 GLU  H       5.13            #peak   160
 10 THR  H      28 ILE  QG2     8.02            #peak   161
 10 THR  H      27 GLN  HA      7.00            #peak   163
 11 CYSS H      27 GLN  HA      6.90            #peak   165
 11 CYSS H      28 ILE  QG2     8.02            #peak   166
 11 CYSS H      12 VAL  QQG     6.51            #peak   167
 10 THR  QG2    11 CYSS H       8.02            #peak   168
 15 ARG  H      15 ARG  QD      7.88            #peak   177
 12 VAL  QQG    15 ARG  H       9.10            #peak   182
 12 VAL  HB     15 ARG  H       6.79            #peak   184
 18 GLN  H      21 LEU  HG      5.96            #peak   190
 21 LEU  H      21 LEU  QD2     6.25            #peak   193
 22 LYS  H      28 ILE  QG2     8.02            #peak   199
 24 ASN  H      28 ILE  QG2     8.02            #peak   203
 25 LYS  H      26 ALA  H       6.32            #peak   208
 24 ASN  HB3    26 ALA  H       7.00            #peak   209
 25 LYS  QB     26 ALA  H       7.36            #peak   212
 24 ASN  HB2    26 ALA  H       7.00            #peak   213
 27 GLN  H      28 ILE  QG2     8.02            #peak   215
 27 GLN  H      28 ILE  HA      7.00            #peak   217
 28 ILE  H      28 ILE  HG12    5.86            #peak   218
 28 ILE  H      28 ILE  HG13    5.86            #peak   219
 24 ASN  H      28 ILE  H       5.49            #peak   221
 28 ILE  QG2    29 CYSS H       7.39            #peak   225
  8 TYR  HA     29 CYSS H       6.74            #peak   226
 29 CYSS H      30 VAL  H       6.90            #peak   229
 28 ILE  QG2    31 ASP  H       8.02            #peak   234
 31 ASP  HB3    33 LYS  H       7.00            #peak   240
 30 VAL  HB     36 TRP  H       6.74            #peak   245
 28 ILE  QG2    36 TRP  H       8.02            #peak   246
  6 LYS  H       6 LYS  QE      7.88            #peak   247
 12 VAL  H      13 ARG  H       7.00            #peak   250
 26 ALA  H      27 GLN  H       4.50            #peak   253
 27 GLN  H      28 ILE  H       4.87            #peak   254
 23 CYSS QB     24 ASN  H       7.88            #peak   255
 23 CYSS H      29 CYSS HA      6.74            #peak   256
  9 GLU  H      28 ILE  HB      7.00            #peak   276
  2 PHE  HB3    16 LYS  H       7.00            #peak   279
  2 PHE  HB2    16 LYS  H       7.00            #peak   280
 11 CYSS HB2    16 LYS  H       7.00            #peak   281
 11 CYSS HB3    16 LYS  H       7.00            #peak   282
 25 LYS  HA     27 GLN  H       6.12            #peak   291
 31 ASP  HB2    33 LYS  H       7.00            #peak   294
 32 PRO  HA     34 LYS  H       6.38            #peak   299
 32 PRO  HA     35 GLY  H       6.48            #peak   300
 12 VAL  QQG    27 GLN  HE21    9.10            #peak   307
 12 VAL  QQG    27 GLN  HE22    9.10            #peak   308
 10 THR  HB     12 VAL  H       5.08            #peak     3
 10 THR  HB     28 ILE  QD1     6.56            #peak     5
 10 THR  HB     11 CYSS H       4.40            #peak     6
 10 THR  HA     28 ILE  QG2     6.25            #peak    20
 28 ILE  QG2    36 TRP  HA      7.39            #peak    29
 28 ILE  QG2    29 CYSS HA      7.39            #peak    30
  8 TYR  HB3    28 ILE  QG2     6.67            #peak    37
  8 TYR  HB2    28 ILE  QG2     6.67            #peak    38
 17 CYSS HB3    21 LEU  HB2     4.24            #peak    48
 12 VAL  QQG    27 GLN  HG2     8.37            #peak    54
 12 VAL  QQG    27 GLN  HG3     8.37            #peak    55
 27 GLN  HA     27 GLN  HG3     3.98            #peak    58
 27 GLN  HA     27 GLN  HG2     3.98            #peak    59
 26 ALA  HA     27 GLN  HG2     5.86            #peak    60
 26 ALA  HA     27 GLN  HG3     5.86            #peak    61
 17 CYSS HB2    21 LEU  HB2     4.24            #peak    62
 17 CYSS HB2    21 LEU  HB3     4.24            #peak    64
 17 CYSS HB3    21 LEU  HB3     4.24            #peak    65
 24 ASN  HB3    28 ILE  QG2     5.99            #peak    77
 24 ASN  HB2    28 ILE  QG2     5.99            #peak    79
 31 ASP  HA     32 PRO  HD3     3.62            #peak    84
 31 ASP  HA     32 PRO  HD2     3.62            #peak    85
 30 VAL  HB     31 ASP  HA      3.72            #peak    96
 #15 ARG  HB3    16 LYS  HA      4.14            #peak    97
 #15 ARG  HB2    16 LYS  HA      4.14            #peak   100
  5 SER  QB     17 CYSS HA      6.17            #peak   128
  8 TYR  HA     28 ILE  HB      4.24            #peak   129
 24 ASN  HD21   28 ILE  HG13    5.34            #peak   151
 24 ASN  HD21   28 ILE  HG12    5.34            #peak   152
 15 ARG  H      15 ARG  HB3     3.98            #peak   164
 15 ARG  H      15 ARG  HB2     3.98            #peak   165
 15 ARG  QG     16 LYS  HA      6.11            #peak   167
  5 SER  H       5 SER  HB3     3.93            #peak   177
  5 SER  HB3     6 LYS  H       4.24            #peak   178
  5 SER  H       5 SER  HB2     3.93            #peak   179
  5 SER  HB2     6 LYS  H       4.24            #peak   180
 12 VAL  HA     13 ARG  H       3.15            #peak   181
  8 TYR  HA      8 TYR  QD      6.32            #peak   188
  7 GLU  HA      8 TYR  H       3.10            #peak   189
 26 ALA  H      27 GLN  HA      4.87            #peak   192
 10 THR  HA     12 VAL  H       5.39            #peak   201
  6 LYS  HA      7 GLU  H       3.46            #peak   203
 25 LYS  H      26 ALA  HA      4.61            #peak   206
 24 ASN  H      27 GLN  HA      5.39            #peak   213
  2 PHE  HA      3 PRO  HD3     3.72            #peak   214
  2 PHE  HA      3 PRO  HD2     3.72            #peak   215
 #23 CYSS HA     24 ASN  HB2     4.19            #peak   222
 #23 CYSS HA     24 ASN  HB3     4.19            #peak   223
  8 TYR  HB2     9 GLU  H       5.34            #peak   227
  8 TYR  HB3     9 GLU  H       5.34            #peak   228
 11 CYSS HB3    17 CYSS H       5.23            #peak   244
 11 CYSS HB2    17 CYSS H       5.23            #peak   247
 11 CYSS HB2    12 VAL  H       5.80            #peak   249
 11 CYSS HB3    12 VAL  H       5.80            #peak   250
 23 CYSS H      23 CYSS HB3     4.04            #peak   253
 23 CYSS H      23 CYSS HB2     4.04            #peak   254
 31 ASP  H      31 ASP  HB2     3.93            #peak   257
 31 ASP  H      31 ASP  HB3     3.93            #peak   258
 31 ASP  HB2    34 LYS  H       5.54            #peak   259
 31 ASP  HB3    34 LYS  H       5.54            #peak   260
  4 LEU  HB2     5 SER  H       4.61            #peak   261
  4 LEU  HB3     5 SER  H       4.61            #peak   262
 24 ASN  HD21   28 ILE  HB      4.87            #peak   265
 24 ASN  HD22   28 ILE  HB      4.87            #peak   266
 28 ILE  H      28 ILE  HB      4.19            #peak   267
 28 ILE  HB     29 CYSS H       3.98            #peak   268
 21 LEU  HB2    22 LYS  H       4.45            #peak   271
 21 LEU  HB2    30 VAL  H       4.87            #peak   272
 21 LEU  HB3    30 VAL  H       4.87            #peak   273
 21 LEU  HB3    22 LYS  H       4.45            #peak   274
 17 CYSS HB3    18 GLN  H       4.56            #peak   280
 17 CYSS H      17 CYSS HB3     4.09            #peak   281
 17 CYSS HB2    18 GLN  H       4.56            #peak   283
 17 CYSS H      17 CYSS HB2     4.09            #peak   284
 24 ASN  HB3    25 LYS  H       5.65            #peak   286
 24 ASN  HB2    25 LYS  H       5.65            #peak   287
 30 VAL  HB     31 ASP  H       3.72            #peak   291
 18 GLN  H      18 GLN  HG2     5.34            #peak   302
 18 GLN  H      18 GLN  HG3     5.34            #peak   303
  6 LYS  HB2     7 GLU  H       3.88            #peak   304
  6 LYS  HB3     7 GLU  H       3.88            #peak   307
 27 GLN  H      28 ILE  HG13    5.65            #peak   308
 24 ASN  HD22   28 ILE  HG13    5.34            #peak   309
 24 ASN  HD22   28 ILE  HG12    5.34            #peak   310
 27 GLN  H      28 ILE  HG12    5.65            #peak   311
 #21 LEU  HG     30 VAL  H       3.98            #peak   312
 #21 LEU  H      21 LEU  HG      3.83            #peak   313
  7 GLU  H      21 LEU  HG      3.72            #peak   314
 10 THR  H      10 THR  QG2     5.00            #peak   319
 10 THR  QG2    12 VAL  H       6.04            #peak   320
 18 GLN  H      18 GLN  HB3     4.09            #peak   328
 18 GLN  H      18 GLN  HB2     4.09            #peak   330
  7 GLU  HG2     8 TYR  H       4.50            #peak   336
  7 GLU  HG3     8 TYR  H       4.50            #peak   337
  7 GLU  H       7 GLU  HG3     4.87            #peak   338
  7 GLU  H       7 GLU  HG2     4.87            #peak   339
  4 LEU  HG     18 GLN  H       4.87            #peak   355
 21 LEU  HG     22 LYS  H       5.08            #peak   361
 #28 ILE  QD1    30 VAL  H       6.93            #peak   369
 28 ILE  QD1    29 CYSS H       6.51            #peak   370
 28 ILE  H      28 ILE  QD1     6.41            #peak   371
  8 TYR  QD     28 ILE  QD1     8.28            #peak   372
  8 TYR  HA     28 ILE  QD1     5.42            #peak   374
 10 THR  HA     28 ILE  QD1     5.94            #peak   375
 21 LEU  H      21 LEU  QD1     6.25            #peak   376
 30 VAL  H      30 VAL  QG1     5.84            #peak   384
 15 ARG  H      15 ARG  QG      5.02            #peak   405
 32 PRO  HD3    33 LYS  H       4.76            #peak   423
 32 PRO  HD2    33 LYS  H       4.76            #peak   425
  5 SER  HA      6 LYS  H       3.15            #peak   432
  5 SER  HA      6 LYS  QE      7.15            #peak   433
 12 VAL  H      15 ARG  HB2     5.70            #peak   442
 12 VAL  H      15 ARG  HB3     5.70            #peak   443
 12 VAL  HA     15 ARG  HB3     5.80            #peak   444
 12 VAL  HA     15 ARG  HB2     5.80            #peak   445
  3 PRO  HB2     4 LEU  H       4.61            #peak   446
  3 PRO  HB3     4 LEU  H       4.61            #peak   448
 27 GLN  HB3    28 ILE  H       5.80            #peak   466
 27 GLN  HB2    28 ILE  H       5.80            #peak   467
  6 LYS  H       6 LYS  HG3     4.40            #peak   478
  6 LYS  H       6 LYS  HG2     4.40            #peak   479
  6 LYS  HG3     7 GLU  H       5.08            #peak   480
  6 LYS  HG2     7 GLU  H       5.08            #peak   481
 22 LYS  H      22 LYS  HG3     5.18            #peak   487
 22 LYS  H      22 LYS  HG2     5.18            #peak   488
 21 LEU  HA     22 LYS  H       3.31            #peak   502
 21 LEU  HA     30 VAL  H       5.18            #peak   503
 28 ILE  H      28 ILE  QG2     6.30            #peak   508
 30 VAL  H      30 VAL  QG2     5.84            #peak   510
  2 PHE  QR     15 ARG  QG     10.35            #peak   519
 11 CYSS SG     23 CYSS SG      2.10 
 11 CYSS SG     23 CYSS CB      3.10 
 11 CYSS CB     23 CYSS SG      3.10 
 17 CYSS SG     29 CYSS SG      2.10 
 17 CYSS SG     29 CYSS CB      3.10 
 17 CYSS CB     29 CYSS SG      3.10 
  2 PHE  HA      3 PRO  QD      3.27            #peak   214
  2 PHE  QB      3 PRO  QD      3.94            #peak   417
  2 PHE  QR      3 PRO  QD      7.91            #peak   520
  4 LEU  H       4 LEU  QB      3.55            #peak   264
  4 LEU  H       4 LEU  QQD     7.84            #peak   137
  4 LEU  QB      5 SER  H       3.92            #peak   261
  4 LEU  QB     15 ARG  H       6.74            #peak   306
  4 LEU  QB     18 GLN  H       5.48            #peak   191
  4 LEU  HG     19 PRO  QG      5.05            #peak   171
  4 LEU  QQD     5 SER  H       6.21            #peak   398
  4 LEU  QQD     6 LYS  HA      5.66            #peak   395
  4 LEU  QQD    16 LYS  H       7.84            #peak   185
  4 LEU  QQD    16 LYS  QB      5.62            #peak   115
  4 LEU  QQD    17 CYSS H       7.84            #peak   283
  5 SER  H       5 SER  QB      3.45            #peak   177
  5 SER  HA      6 LYS  QB      4.41            #peak    27
  5 SER  QB      6 LYS  H       3.73            #peak   178
  6 LYS  H       6 LYS  QB      3.67            #peak   305
  6 LYS  H      21 LEU  QQD     7.84            #peak   142
  6 LYS  HA      6 LYS  QG      3.74            #peak   482
  6 LYS  QB      7 GLU  H       3.24            #peak   307
  6 LYS  QB     30 VAL  QQG     6.73            #peak   124
  6 LYS  QG      7 GLU  H       4.47            #peak   481
  7 GLU  H       7 GLU  QG      3.99            #peak   338
  7 GLU  H      21 LEU  QQD     7.84            #peak   147
  7 GLU  H      30 VAL  QQG     7.15            #peak   148
  7 GLU  HA      7 GLU  QG      3.03            #peak    68
  7 GLU  HA     21 LEU  QQD     6.41            #peak    72
  7 GLU  HA     29 CYSS QB      4.16            #peak    71
  7 GLU  QG      8 TYR  HA      5.48            #peak   340
  7 GLU  QG      8 TYR  QD      7.45            #peak   341
  8 TYR  H      21 LEU  QQD     7.84            #peak   150
  8 TYR  H      29 CYSS QB      5.43            #peak   152
  8 TYR  HA     28 ILE  QG1     5.48            #peak   155
  8 TYR  QB     28 ILE  QG2     5.87            #peak    38
  8 TYR  QD     28 ILE  QG1     7.35            #peak   358
  9 GLU  QB     10 THR  QG2     6.95            #peak   351
 11 CYSS H      12 VAL  QQG     6.51            #peak   315
 11 CYSS H      27 GLN  QB      5.72            #peak   169
 11 CYSS QB     17 CYSS H       4.61            #peak   244
 12 VAL  H      15 ARG  QB      5.03            #peak   443
 12 VAL  H      27 GLN  QB      4.85            #peak   468
 12 VAL  HA     15 ARG  QB      5.05            #peak   444
 12 VAL  HA     27 GLN  QB      4.75            #peak   435
 12 VAL  HA     27 GLN  QG      4.56            #peak   436
 12 VAL  HA     27 GLN  QE2     5.53            #peak   516
 12 VAL  QQG    27 GLN  QB      5.02            #peak   494
 12 VAL  QQG    27 GLN  QG      5.39            #peak   493
 12 VAL  QQG    27 GLN  QB      5.02            #peak    52
 14 PRO  QG     15 ARG  H       5.02            #peak   485
 16 LYS  H      16 LYS  QG      5.68            #peak    71
 16 LYS  QB     17 CYSS H       4.21            #peak   441
 16 LYS  QG     17 CYSS H       6.35            #peak   186
 17 CYSS H      17 CYSS QB      3.42            #peak   284
 17 CYSS QB     18 GLN  H       3.93            #peak   280
 17 CYSS QB     21 LEU  H       6.04            #peak   194
 17 CYSS QB     21 LEU  HA      5.04            #peak   504
 17 CYSS QB     21 LEU  QB      3.01            #peak    65
 17 CYSS QB     21 LEU  HG      4.16            #peak   366
 18 GLN  H      18 GLN  QG      4.65            #peak   303
 18 GLN  H      19 PRO  QD      5.09            #peak   420
 18 GLN  QB     19 PRO  QD      4.66            #peak   464
 18 GLN  QG     19 PRO  QD      4.68            #peak   345
 #19 PRO  QB     20 PRO  HA      4.06            #peak   104
 20 PRO  QD     21 LEU  QQD     6.18            #peak   414
 21 LEU  H      21 LEU  QB      3.63            #peak   275
 21 LEU  H      21 LEU  QQD     5.47            #peak   376
 21 LEU  QB     22 LYS  H       3.75            #peak   271
 21 LEU  QB     30 VAL  H       4.29            #peak   272
 21 LEU  QQD    22 LYS  H       7.84            #peak   198
 21 LEU  QQD    29 CYSS QB      6.50            #peak   403
 21 LEU  QQD    30 VAL  H       7.84            #peak   120
 21 LEU  QQD    31 ASP  H       7.84            #peak   233
 21 LEU  QQD    31 ASP  HA      5.11            #peak   383
 21 LEU  QQD    31 ASP  QB      5.27            #peak   377
 21 LEU  QQD    32 PRO  QD      5.71            #peak    82
 23 CYSS H      23 CYSS QB      3.55            #peak   254
 23 CYSS QB     24 ASN  HA      4.01            #peak   255
 24 ASN  QB     24 ASN  QD2     3.22            #peak   333
 24 ASN  QB     26 ALA  H       6.16            #peak   209
 24 ASN  QB     28 ILE  QG2     5.16            #peak    79
 24 ASN  QD2    26 ALA  QB      5.55            #peak   299
 24 ASN  QD2    28 ILE  HB      4.15            #peak   265
 24 ASN  QD2    28 ILE  QG2     7.10            #peak   262
 24 ASN  QD2    28 ILE  QG1     4.00            #peak   151
 26 ALA  HA     27 GLN  QB      5.77            #peak   470
 26 ALA  HA     27 GLN  QG      5.12            #peak    61
 27 GLN  H      28 ILE  QG1     4.98            #peak   308
 28 ILE  H      28 ILE  QG1     5.01            #peak   218
 28 ILE  QG1    29 CYSS H       6.74            #peak   227
 29 CYSS H      29 CYSS QB      3.67            #peak   277
 29 CYSS QB     30 VAL  H       4.11            #peak   278
 30 VAL  QQG    31 ASP  H       6.06            #peak   385
 30 VAL  QQG    36 TRP  QB      5.89            #peak    40
 31 ASP  HA     32 PRO  QD      3.18            #peak    85
 31 ASP  QB     32 PRO  QD      4.42            #peak   142
 31 ASP  QB     34 LYS  H       4.79            #peak   260
 32 PRO  QD     33 LYS  H       4.06            #peak   425
 22 LYS  H      30 VAL  O  3.5
 22 LYS  N      30 VAL  O  2.5
 30 VAL  H      22 LYS  O  3.5
 30 VAL  N      22 LYS  O  2.5
# 21 LEU  H      18 GLN  O  3.0
# 21 LEU  N      18 GLN  O  2.0

 11 CYSS SG     23 CYSS SG      2.00 
 11 CYSS SG     23 CYSS CB      3.00 
 11 CYSS CB     23 CYSS SG      3.00 
 17 CYSS SG     29 CYSS SG      2.00 
 17 CYSS SG     29 CYSS CB      3.00 
 17 CYSS CB     29 CYSS SG      3.00 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           H1       ASP   1 -12.726  -7.850  -4.355
    2    HA   ASP   1           HA       ASP   1 -14.848  -6.351  -4.101
    3    HB3  ASP   1           HB3      ASP   1 -14.098  -4.635  -2.217
    4    H    PHE   2           H        PHE   2 -11.477  -5.575  -3.228
    5    HA   PHE   2           HA       PHE   2 -11.423  -3.722  -5.519
    6    HB3  PHE   2           HB3      PHE   2  -9.419  -2.812  -3.901
    7    HD1  PHE   2           HD1      PHE   2 -13.120  -2.655  -3.415
    8    HD2  PHE   2           HD2      PHE   2  -9.541  -0.595  -4.448
    9    HE1  PHE   2           HE1      PHE   2 -14.404  -0.575  -3.705
   10    HE2  PHE   2           HE2      PHE   2 -10.818   1.487  -4.739
   11    HZ   PHE   2           HZ       PHE   2 -13.253   1.499  -4.366
   12    HA   PRO   3           HA       PRO   3  -7.944  -5.833  -7.156
   13    HB3  PRO   3           HB3      PRO   3  -7.907  -4.275  -8.844
   14    HG3  PRO   3           HG3      PRO   3  -8.354  -2.033  -8.418
   15    HD3  PRO   3           HD3      PRO   3 -10.163  -3.004  -7.371
   16    H    LEU   4           H        LEU   4  -6.892  -2.968  -5.305
   17    HA   LEU   4           HA       LEU   4  -5.243  -2.663  -3.769
   18    HB3  LEU   4           HB3      LEU   4  -5.303  -5.662  -3.482
   19    HG   LEU   4           HG       LEU   4  -3.462  -4.758  -2.207
   20   HD11  LEU   4          HD11      LEU   4  -3.556  -2.647  -1.530
   21   HD12  LEU   4          HD12      LEU   4  -4.644  -3.172  -0.248
   22   HD13  LEU   4          HD13      LEU   4  -5.301  -2.582  -1.774
   23   HD21  LEU   4          HD21      LEU   4  -5.827  -5.929  -0.962
   24   HD22  LEU   4          HD22      LEU   4  -4.781  -5.078   0.175
   25   HD23  LEU   4          HD23      LEU   4  -4.128  -6.380  -0.820
   26    H    SER   5           H        SER   5  -2.925  -3.077  -3.323
   27    HA   SER   5           HA       SER   5  -1.461  -4.557  -5.341
   28    HB3  SER   5           HB3      SER   5  -0.093  -2.169  -5.451
   29    HG   SER   5           HG       SER   5  -0.940  -2.070  -7.554
   30    H    LYS   6           H        LYS   6   1.036  -3.930  -4.968
   31    HA   LYS   6           HA       LYS   6   1.481  -3.946  -2.055
   32    HB3  LYS   6           HB3      LYS   6   1.795  -6.194  -2.921
   33    HG3  LYS   6           HG3      LYS   6   4.116  -6.123  -4.419
   34    HD3  LYS   6           HD3      LYS   6   2.636  -6.883  -6.272
   35    HE3  LYS   6           HE3      LYS   6   1.523  -8.236  -3.888
   36    HZ1  LYS   6           HZ1      LYS   6   1.513  -9.913  -5.311
   37    HZ2  LYS   6           HZ2      LYS   6   3.182  -9.792  -5.557
   38    HZ3  LYS   6           HZ3      LYS   6   2.118  -8.890  -6.515
   39    H    GLU   7           H        GLU   7   3.518  -3.110  -1.335
   40    HA   GLU   7           HA       GLU   7   5.208  -1.587  -1.289
   41    HB3  GLU   7           HB3      GLU   7   5.744  -1.322  -4.115
   42    HG3  GLU   7           HG3      GLU   7   7.168  -2.294  -1.706
   43    H    TYR   8           H        TYR   8   5.975   0.474  -2.881
   44    HA   TYR   8           HA       TYR   8   4.109   2.455  -2.360
   45    HB3  TYR   8           HB3      TYR   8   6.484   2.913  -2.787
   46    HD1  TYR   8           HD1      TYR   8   7.680   0.954  -3.763
   47    HD2  TYR   8           HD2      TYR   8   5.547   3.726  -6.184
   48    HE1  TYR   8           HE1      TYR   8   8.888   0.141  -5.745
   49    HE2  TYR   8           HE2      TYR   8   6.748   2.921  -8.174
   50    HH   TYR   8           HH       TYR   8   9.370   1.540  -8.305
   51    H    GLU   9           H        GLU   9   2.254   3.020  -3.273
   52    HA   GLU   9           HA       GLU   9   1.752   3.191  -6.011
   53    HB3  GLU   9           HB3      GLU   9  -0.075   1.095  -5.431
   54    HG3  GLU   9           HG3      GLU   9   2.294   1.245  -7.274
   55    H    THR  10           H        THR  10  -0.188   1.936  -3.292
   56    HA   THR  10           HA       THR  10  -1.435   4.338  -2.620
   57    HB   THR  10           HB       THR  10  -2.490   4.440  -4.743
   58    HG1  THR  10           HG1      THR  10  -3.933   4.828  -3.022
   59   HG21  THR  10          HG21      THR  10  -3.802   2.570  -5.672
   60   HG22  THR  10          HG22      THR  10  -3.277   1.553  -4.331
   61   HG23  THR  10          HG23      THR  10  -2.097   2.161  -5.492
   62    H    CYS  11           H        CYS  11  -3.234   4.057  -1.136
   63    HA   CYS  11           HA       CYS  11  -4.064   1.438  -0.341
   64    HB3  CYS  11           HB3      CYS  11  -1.876   1.366   0.685
   65    H    VAL  12           H        VAL  12  -5.719   3.301  -1.088
   66    HA   VAL  12           HA       VAL  12  -6.544   5.175   0.863
   67    HB   VAL  12           HB       VAL  12  -8.656   5.302  -0.429
   68   HG11  VAL  12          HG11      VAL  12  -7.449   5.815  -2.688
   69   HG12  VAL  12          HG12      VAL  12  -7.088   6.777  -1.253
   70   HG13  VAL  12          HG13      VAL  12  -5.988   5.493  -1.756
   71   HG21  VAL  12          HG21      VAL  12  -9.026   3.957  -2.367
   72   HG22  VAL  12          HG22      VAL  12  -7.438   3.205  -2.217
   73   HG23  VAL  12          HG23      VAL  12  -8.690   2.867  -1.022
   74    H    ARG  13           H        ARG  13  -9.100   4.978   1.434
   75    HA   ARG  13           HA       ARG  13  -9.287   3.261   3.584
   76    HB3  ARG  13           HB3      ARG  13 -11.919   3.637   2.584
   77    HG3  ARG  13           HG3      ARG  13 -10.547   4.144   4.929
   78    HD3  ARG  13           HD3      ARG  13 -10.367   6.503   3.613
   79    HE   ARG  13           HE       ARG  13 -12.403   7.518   3.682
   80   HH11  ARG  13          HH11      ARG  13 -12.025   5.610   6.569
   81   HH12  ARG  13          HH12      ARG  13 -13.516   6.144   7.274
   82   HH21  ARG  13          HH22      ARG  13 -14.367   8.228   4.599
   83   HH22  ARG  13          HH21      ARG  13 -14.847   7.632   6.152
   84    HA   PRO  14           HA       PRO  14 -11.839   0.149   0.918
   85    HB3  PRO  14           HB3      PRO  14 -13.102   1.263  -0.646
   86    HG3  PRO  14           HG3      PRO  14 -12.316   3.202  -1.661
   87    HD3  PRO  14           HD3      PRO  14 -11.938   3.730   0.550
   88    H    ARG  15           H        ARG  15  -8.772   1.386   0.224
   89    HA   ARG  15           HA       ARG  15  -7.933  -1.162  -0.993
   90    HB3  ARG  15           HB3      ARG  15  -5.965   0.134  -1.855
   91    HG3  ARG  15           HG3      ARG  15  -8.590   1.291  -2.766
   92    HD3  ARG  15           HD3      ARG  15  -6.598   0.702  -4.773
   93    HE   ARG  15           HE       ARG  15  -7.438   3.424  -4.325
   94   HH11  ARG  15          HH11      ARG  15  -8.269   0.331  -5.688
   95   HH12  ARG  15          HH12      ARG  15  -9.410   0.987  -6.814
   96   HH21  ARG  15          HH22      ARG  15  -8.938   4.300  -5.803
   97   HH22  ARG  15          HH21      ARG  15  -9.788   3.245  -6.880
   98    H    LYS  16           H        LYS  16  -7.981  -1.807   1.366
   99    HA   LYS  16           HA       LYS  16  -5.859  -0.788   3.033
  100    HB3  LYS  16           HB3      LYS  16  -7.871  -1.496   4.131
  101    HG3  LYS  16           HG3      LYS  16  -7.915  -3.592   2.256
  102    HD3  LYS  16           HD3      LYS  16  -7.500  -4.495   5.087
  103    HE3  LYS  16           HE3      LYS  16  -9.664  -5.304   3.511
  104    HZ1  LYS  16           HZ1      LYS  16  -9.002  -7.755   3.372
  105    HZ2  LYS  16           HZ2      LYS  16  -7.404  -7.196   3.357
  106    HZ3  LYS  16           HZ3      LYS  16  -8.477  -6.725   2.137
  107    H    CYS  17           H        CYS  17  -3.812  -1.334   2.713
  108    HA   CYS  17           HA       CYS  17  -2.823  -3.278   1.045
  109    HB3  CYS  17           HB3      CYS  17  -0.749  -3.171   2.603
  110    H    GLN  18           H        GLN  18  -3.090  -5.402   1.060
  111    HA   GLN  18           HA       GLN  18  -4.048  -6.870   3.261
  112    HB3  GLN  18           HB3      GLN  18  -2.926  -8.783   1.673
  113    HG3  GLN  18           HG3      GLN  18  -5.479  -7.360   0.967
  114   HE21  GLN  18          HE22      GLN  18  -6.960  -8.625  -0.150
  115   HE22  GLN  18          HE21      GLN  18  -6.492 -10.053  -1.002
  116    HA   PRO  19           HA       PRO  19   0.454  -8.563   3.729
  117    HB3  PRO  19           HB3      PRO  19   1.508  -8.652   1.689
  118    HG3  PRO  19           HG3      PRO  19   1.086  -7.055   0.050
  119    HD3  PRO  19           HD3      PRO  19  -1.075  -7.640   0.601
  120    HA   PRO  20           HA       PRO  20   1.865  -5.669   6.723
  121    HB3  PRO  20           HB3      PRO  20   3.200  -7.324   7.593
  122    HG3  PRO  20           HG3      PRO  20   4.323  -8.813   6.204
  123    HD3  PRO  20           HD3      PRO  20   2.201  -8.968   5.318
  124    H    LEU  21           H        LEU  21   1.506  -3.947   5.004
  125    HA   LEU  21           HA       LEU  21   4.048  -2.757   4.127
  126    HB3  LEU  21           HB3      LEU  21   2.464  -1.308   2.722
  127    HG   LEU  21           HG       LEU  21   2.672  -4.252   2.109
  128   HD11  LEU  21          HD11      LEU  21   0.753  -3.308   0.944
  129   HD12  LEU  21          HD12      LEU  21   2.066  -3.657  -0.182
  130   HD13  LEU  21          HD13      LEU  21   1.760  -1.996   0.328
  131   HD21  LEU  21          HD21      LEU  21   4.128  -2.437   0.412
  132   HD22  LEU  21          HD22      LEU  21   4.715  -3.800   1.366
  133   HD23  LEU  21          HD23      LEU  21   4.570  -2.204   2.104
  134    H    LYS  22           H        LYS  22   3.879  -0.257   4.003
  135    HA   LYS  22           HA       LYS  22   2.437   0.856   6.290
  136    HB3  LYS  22           HB3      LYS  22   5.281   1.682   5.986
  137    HG3  LYS  22           HG3      LYS  22   3.530   1.207   8.390
  138    HD3  LYS  22           HD3      LYS  22   5.331   2.438   9.589
  139    HE3  LYS  22           HE3      LYS  22   5.161  -0.212   9.104
  140    HZ1  LYS  22           HZ1      LYS  22   6.697  -0.782   7.612
  141    HZ2  LYS  22           HZ2      LYS  22   7.836  -0.489   8.828
  142    HZ3  LYS  22           HZ3      LYS  22   7.487   0.712   7.691
  143    H    CYS  23           H        CYS  23   1.375   2.583   5.604
  144    HA   CYS  23           HA       CYS  23   2.160   3.913   3.153
  145    HB3  CYS  23           HB3      CYS  23   0.055   5.109   3.350
  146    H    ASN  24           H        ASN  24   1.408   6.496   3.517
  147    HA   ASN  24           HA       ASN  24   3.117   7.506   5.686
  148    HB3  ASN  24           HB3      ASN  24   4.619   8.005   4.063
  149   HD21  ASN  24          HD22      ASN  24   2.598   9.544   1.835
  150   HD22  ASN  24          HD21      ASN  24   2.662   8.353   0.584
  151    H    LYS  25           H        LYS  25   0.984   8.711   3.091
  152    HA   LYS  25           HA       LYS  25  -1.034   9.665   4.768
  153    HB3  LYS  25           HB3      LYS  25   0.203  12.131   3.844
  154    HG3  LYS  25           HG3      LYS  25  -0.369  11.338   6.681
  155    HD3  LYS  25           HD3      LYS  25   0.459  13.732   5.360
  156    HE3  LYS  25           HE3      LYS  25  -2.364  13.648   6.220
  157    HZ1  LYS  25           HZ1      LYS  25  -2.283  15.308   7.659
  158    HZ2  LYS  25           HZ2      LYS  25  -1.438  16.281   6.562
  159    HZ3  LYS  25           HZ3      LYS  25  -0.592  15.271   7.622
  160    H    ALA  26           H        ALA  26   0.775  10.071   1.790
  161    HA   ALA  26           HA       ALA  26  -1.597  11.040   0.389
  162    HB1  ALA  26           HB1      ALA  26  -0.214  11.788  -1.274
  163    HB2  ALA  26           HB2      ALA  26   0.880  11.873   0.106
  164    HB3  ALA  26           HB3      ALA  26   0.975  10.513  -1.012
  165    H    GLN  27           H        GLN  27  -1.214   8.237   1.448
  166    HA   GLN  27           HA       GLN  27  -1.712   6.108   0.825
  167    HB3  GLN  27           HB3      GLN  27  -2.974   5.959  -1.455
  168    HG3  GLN  27           HG3      GLN  27  -4.216   5.800   0.575
  169   HE21  GLN  27          HE22      GLN  27  -4.136   9.273  -0.168
  170   HE22  GLN  27          HE21      GLN  27  -4.081   9.796   1.477
  171    H    ILE  28           H        ILE  28   0.243   5.144   0.578
  172    HA   ILE  28           HA       ILE  28   1.170   4.771  -2.161
  173    HB   ILE  28           HB       ILE  28   2.976   5.748   0.054
  174   HG13  ILE  28          HG13      ILE  28   3.388   7.648  -1.405
  175   HG21  ILE  28          HG21      ILE  28   3.632   4.715  -2.699
  176   HG22  ILE  28          HG22      ILE  28   4.762   5.608  -1.683
  177   HG23  ILE  28          HG23      ILE  28   4.144   4.045  -1.151
  178   HD11  ILE  28          HD11      ILE  28   2.211   6.003  -3.428
  179   HD12  ILE  28          HD12      ILE  28   1.334   7.526  -3.298
  180   HD13  ILE  28          HD13      ILE  28   3.074   7.533  -3.588
  181    H    CYS  29           H        CYS  29   1.801   3.989   1.254
  182    HA   CYS  29           HA       CYS  29   2.143   2.003   2.314
  183    HB3  CYS  29           HB3      CYS  29   1.608   0.080   0.276
  184    H    VAL  30           H        VAL  30   4.064   1.153   2.752
  185    HA   VAL  30           HA       VAL  30   5.679  -0.181   0.831
  186    HB   VAL  30           HB       VAL  30   7.616   1.616   1.470
  187   HG11  VAL  30          HG11      VAL  30   6.027   2.226  -0.957
  188   HG12  VAL  30          HG12      VAL  30   7.760   1.945  -0.777
  189   HG13  VAL  30          HG13      VAL  30   6.640   0.582  -0.778
  190   HG21  VAL  30          HG21      VAL  30   5.246   3.332   0.789
  191   HG22  VAL  30          HG22      VAL  30   5.762   3.060   2.453
  192   HG23  VAL  30          HG23      VAL  30   6.855   3.834   1.306
  193    H    ASP  31           H        ASP  31   8.054  -0.370   1.860
  194    HA   ASP  31           HA       ASP  31   8.321  -0.253   4.658
  195    HB3  ASP  31           HB3      ASP  31   6.795  -1.963   5.015
  196    HA   PRO  32           HA       PRO  32  12.507  -1.047   3.621
  197    HB3  PRO  32           HB3      PRO  32  13.040  -0.511   5.790
  198    HG3  PRO  32           HG3      PRO  32  11.672  -1.156   7.556
  199    HD3  PRO  32           HD3      PRO  32  10.101  -0.203   6.165
  200    H    LYS  33           H        LYS  33  10.452  -3.686   4.504
  201    HA   LYS  33           HA       LYS  33  12.215  -5.842   4.160
  202    HB3  LYS  33           HB3      LYS  33   9.921  -6.978   3.426
  203    HG3  LYS  33           HG3      LYS  33  11.236  -6.734   5.826
  204    HD3  LYS  33           HD3      LYS  33   8.424  -5.702   6.069
  205    HE3  LYS  33           HE3      LYS  33   8.847  -6.018   8.571
  206    HZ1  LYS  33           HZ1      LYS  33   7.350  -7.413   7.014
  207    HZ2  LYS  33           HZ2      LYS  33   7.688  -7.987   8.568
  208    HZ3  LYS  33           HZ3      LYS  33   8.517  -8.618   7.236
  209    H    LYS  34           H        LYS  34  10.085  -4.192   1.851
  210    HA   LYS  34           HA       LYS  34  11.829  -4.991  -0.324
  211    HB3  LYS  34           HB3      LYS  34   9.124  -5.498  -1.176
  212    HG3  LYS  34           HG3      LYS  34  11.711  -6.597  -1.552
  213    HD3  LYS  34           HD3      LYS  34   9.623  -8.705  -1.023
  214    HE3  LYS  34           HE3      LYS  34  12.442  -9.435  -1.030
  215    HZ1  LYS  34           HZ1      LYS  34  10.193 -10.769  -1.319
  216    HZ2  LYS  34           HZ2      LYS  34  11.651 -11.310  -1.986
  217    HZ3  LYS  34           HZ3      LYS  34  10.527 -10.500  -2.955
  218    H    GLY  35           H        GLY  35  12.240  -3.062  -1.196
  219    HA2  GLY  35           HA2      GLY  35  10.984  -1.547  -2.853
  220    HA3  GLY  35           HA3      GLY  35  10.033  -1.127  -1.436
  221    H    TRP  36           H        TRP  36  10.566   0.849  -0.799
  222    HA   TRP  36           HA       TRP  36  11.787   2.646  -0.131
  223    HB3  TRP  36           HB3      TRP  36  14.253   0.967   0.112
  224    HD1  TRP  36           HD1      TRP  36  15.557   3.291   0.418
  225    HE1  TRP  36           HE1      TRP  36  15.675   4.941   2.390
  226    HE3  TRP  36           HE3      TRP  36  11.521   1.650   3.093
  227    HZ2  TRP  36           HZ2      TRP  36  14.247   5.476   4.765
  228    HZ3  TRP  36           HZ3      TRP  36  10.965   2.784   5.205
  229    HH2  TRP  36           HH2      TRP  36  12.302   4.657   6.022
  Start of MODEL    2
    1    H1   ASP   1           H1       ASP   1 -11.468  -9.772   0.010
    2    HA   ASP   1           HA       ASP   1  -9.137 -10.651  -0.742
    3    HB3  ASP   1           HB3      ASP   1 -11.017 -12.486  -2.237
    4    H    PHE   2           H        PHE   2 -10.169  -8.334  -1.138
    5    HA   PHE   2           HA       PHE   2 -11.282  -7.973  -3.770
    6    HB3  PHE   2           HB3      PHE   2 -10.529  -5.468  -2.947
    7    HD1  PHE   2           HD2      PHE   2 -12.996  -7.889  -1.529
    8    HD2  PHE   2           HD1      PHE   2 -12.334  -4.261  -3.654
    9    HE1  PHE   2           HE2      PHE   2 -15.427  -7.560  -1.719
   10    HE2  PHE   2           HE1      PHE   2 -14.764  -3.927  -3.846
   11    HZ   PHE   2           HZ       PHE   2 -16.314  -5.578  -2.880
   12    HA   PRO   3           HA       PRO   3  -7.635  -7.335  -6.121
   13    HB3  PRO   3           HB3      PRO   3  -8.987  -6.880  -7.922
   14    HG3  PRO   3           HG3      PRO   3 -10.955  -5.669  -7.669
   15    HD3  PRO   3           HD3      PRO   3 -11.232  -7.229  -5.995
   16    H    LEU   4           H        LEU   4  -5.793  -6.547  -5.330
   17    HA   LEU   4           HA       LEU   4  -5.362  -3.716  -5.128
   18    HB3  LEU   4           HB3      LEU   4  -6.468  -4.535  -2.936
   19    HG   LEU   4           HG       LEU   4  -3.631  -5.266  -2.237
   20   HD11  LEU   4          HD11      LEU   4  -5.066  -6.201  -0.233
   21   HD12  LEU   4          HD12      LEU   4  -6.182  -4.938  -0.750
   22   HD13  LEU   4          HD13      LEU   4  -4.534  -4.520  -0.280
   23   HD21  LEU   4          HD21      LEU   4  -4.871  -7.546  -1.817
   24   HD22  LEU   4          HD22      LEU   4  -4.207  -7.150  -3.401
   25   HD23  LEU   4          HD23      LEU   4  -5.932  -6.949  -3.094
   26    H    SER   5           H        SER   5  -3.068  -3.318  -4.190
   27    HA   SER   5           HA       SER   5  -1.276  -5.520  -4.955
   28    HB3  SER   5           HB3      SER   5   0.233  -3.668  -5.926
   29    HG   SER   5           HG       SER   5  -2.082  -4.747  -7.041
   30    H    LYS   6           H        LYS   6   1.129  -4.561  -4.447
   31    HA   LYS   6           HA       LYS   6   1.014  -3.566  -1.674
   32    HB3  LYS   6           HB3      LYS   6   1.596  -5.972  -1.794
   33    HG3  LYS   6           HG3      LYS   6   4.139  -5.096  -3.141
   34    HD3  LYS   6           HD3      LYS   6   3.173  -7.559  -1.867
   35    HE3  LYS   6           HE3      LYS   6   3.402  -7.670  -4.619
   36    HZ1  LYS   6           HZ1      LYS   6   5.659  -9.276  -3.897
   37    HZ2  LYS   6           HZ2      LYS   6   5.976  -7.621  -3.741
   38    HZ3  LYS   6           HZ3      LYS   6   5.449  -8.246  -5.222
   39    H    GLU   7           H        GLU   7   3.656  -3.197  -1.169
   40    HA   GLU   7           HA       GLU   7   5.268  -1.598  -1.355
   41    HB3  GLU   7           HB3      GLU   7   5.551  -1.407  -4.182
   42    HG3  GLU   7           HG3      GLU   7   7.344  -1.514  -2.399
   43    H    TYR   8           H        TYR   8   5.875   0.398  -3.037
   44    HA   TYR   8           HA       TYR   8   4.045   2.398  -2.432
   45    HB3  TYR   8           HB3      TYR   8   6.397   2.834  -3.002
   46    HD1  TYR   8           HD1      TYR   8   7.541   0.874  -4.023
   47    HD2  TYR   8           HD2      TYR   8   5.241   3.596  -6.348
   48    HE1  TYR   8           HE1      TYR   8   8.622   0.033  -6.066
   49    HE2  TYR   8           HE2      TYR   8   6.315   2.761  -8.398
   50    HH   TYR   8           HH       TYR   8   7.466   0.696  -9.163
   51    H    GLU   9           H        GLU   9   2.149   2.965  -3.261
   52    HA   GLU   9           HA       GLU   9   1.516   3.012  -5.993
   53    HB3  GLU   9           HB3      GLU   9   0.496   0.616  -4.470
   54    HG3  GLU   9           HG3      GLU   9  -0.690   2.022  -6.760
   55    H    THR  10           H        THR  10  -0.524   1.900  -3.307
   56    HA   THR  10           HA       THR  10  -1.536   4.397  -2.551
   57    HB   THR  10           HB       THR  10  -3.921   3.590  -3.706
   58    HG1  THR  10           HG1      THR  10  -3.332   3.400  -5.952
   59   HG21  THR  10          HG21      THR  10  -2.882   5.528  -5.413
   60   HG22  THR  10          HG22      THR  10  -2.058   5.800  -3.878
   61   HG23  THR  10          HG23      THR  10  -3.821   5.808  -3.947
   62    H    CYS  11           H        CYS  11  -2.293   4.054  -0.574
   63    HA   CYS  11           HA       CYS  11  -2.874   1.420   0.367
   64    HB3  CYS  11           HB3      CYS  11  -3.165   2.426   2.517
   65    H    VAL  12           H        VAL  12  -4.887   4.368   0.418
   66    HA   VAL  12           HA       VAL  12  -7.127   4.685   0.159
   67    HB   VAL  12           HB       VAL  12  -7.441   1.961  -1.044
   68   HG11  VAL  12          HG11      VAL  12  -8.966   4.382  -0.881
   69   HG12  VAL  12          HG12      VAL  12  -8.649   3.985  -2.571
   70   HG13  VAL  12          HG13      VAL  12  -9.438   2.808  -1.520
   71   HG21  VAL  12          HG21      VAL  12  -5.856   4.239  -2.135
   72   HG22  VAL  12          HG22      VAL  12  -5.559   2.504  -2.244
   73   HG23  VAL  12          HG23      VAL  12  -6.809   3.248  -3.240
   74    H    ARG  13           H        ARG  13  -9.144   4.142   1.112
   75    HA   ARG  13           HA       ARG  13  -8.904   2.729   3.570
   76    HB3  ARG  13           HB3      ARG  13 -11.626   3.101   3.106
   77    HG3  ARG  13           HG3      ARG  13  -9.759   5.142   4.289
   78    HD3  ARG  13           HD3      ARG  13 -12.328   4.695   5.559
   79    HE   ARG  13           HE       ARG  13 -11.612   6.795   6.094
   80   HH11  ARG  13          HH11      ARG  13 -11.334   6.356   2.652
   81   HH12  ARG  13          HH12      ARG  13 -10.903   8.006   2.345
   82   HH21  ARG  13          HH22      ARG  13 -11.046   8.970   5.702
   83   HH22  ARG  13          HH21      ARG  13 -10.739   9.492   4.081
   84    HA   PRO  14           HA       PRO  14 -11.923  -0.465   1.589
   85    HB3  PRO  14           HB3      PRO  14 -13.438   0.592   0.221
   86    HG3  PRO  14           HG3      PRO  14 -12.826   2.450  -1.036
   87    HD3  PRO  14           HD3      PRO  14 -12.034   3.092   1.032
   88    H    ARG  15           H        ARG  15  -9.300   0.789  -0.378
   89    HA   ARG  15           HA       ARG  15  -8.636  -1.913  -1.297
   90    HB3  ARG  15           HB3      ARG  15  -6.772  -0.117  -2.354
   91    HG3  ARG  15           HG3      ARG  15  -8.632  -1.947  -3.332
   92    HD3  ARG  15           HD3      ARG  15 -10.174  -0.062  -3.725
   93    HE   ARG  15           HE       ARG  15  -9.217   1.874  -4.449
   94   HH11  ARG  15          HH11      ARG  15  -7.740  -0.787  -6.140
   95   HH12  ARG  15          HH12      ARG  15  -6.783   0.227  -7.167
   96   HH21  ARG  15          HH22      ARG  15  -7.960   3.220  -5.795
   97   HH22  ARG  15          HH21      ARG  15  -6.907   2.506  -6.970
   98    H    LYS  16           H        LYS  16  -8.259  -1.048   1.473
   99    HA   LYS  16           HA       LYS  16  -5.727  -0.306   2.199
  100    HB3  LYS  16           HB3      LYS  16  -6.322  -2.331   4.004
  101    HG3  LYS  16           HG3      LYS  16  -7.481   0.443   4.111
  102    HD3  LYS  16           HD3      LYS  16  -6.574  -1.469   6.265
  103    HE3  LYS  16           HE3      LYS  16  -8.161   0.623   7.281
  104    HZ1  LYS  16           HZ1      LYS  16  -5.425  -0.331   7.587
  105    HZ2  LYS  16           HZ2      LYS  16  -6.624  -0.088   8.754
  106    HZ3  LYS  16           HZ3      LYS  16  -5.750   1.229   8.155
  107    H    CYS  17           H        CYS  17  -3.737  -1.145   2.084
  108    HA   CYS  17           HA       CYS  17  -3.057  -3.235   0.425
  109    HB3  CYS  17           HB3      CYS  17  -0.845  -3.170   1.448
  110    H    GLN  18           H        GLN  18  -3.013  -5.391   0.570
  111    HA   GLN  18           HA       GLN  18  -4.239  -6.709   2.762
  112    HB3  GLN  18           HB3      GLN  18  -2.816  -8.616   1.248
  113    HG3  GLN  18           HG3      GLN  18  -5.035  -9.034   0.171
  114   HE21  GLN  18          HE22      GLN  18  -6.534  -8.058   2.962
  115   HE22  GLN  18          HE21      GLN  18  -6.266  -9.467   3.926
  116    HA   PRO  19           HA       PRO  19   0.182  -8.410   3.702
  117    HB3  PRO  19           HB3      PRO  19   1.390  -8.656   1.763
  118    HG3  PRO  19           HG3      PRO  19   1.126  -7.175  -0.011
  119    HD3  PRO  19           HD3      PRO  19  -1.082  -7.692   0.406
  120    HA   PRO  20           HA       PRO  20   1.382  -5.325   6.595
  121    HB3  PRO  20           HB3      PRO  20   2.567  -6.944   7.714
  122    HG3  PRO  20           HG3      PRO  20   3.762  -8.569   6.558
  123    HD3  PRO  20           HD3      PRO  20   1.730  -8.733   5.485
  124    H    LEU  21           H        LEU  21   1.313  -3.434   5.338
  125    HA   LEU  21           HA       LEU  21   3.943  -2.500   4.394
  126    HB3  LEU  21           HB3      LEU  21   2.558  -1.038   2.814
  127    HG   LEU  21           HG       LEU  21   2.531  -4.009   2.283
  128   HD11  LEU  21          HD11      LEU  21   2.125  -3.529   0.025
  129   HD12  LEU  21          HD12      LEU  21   2.431  -1.807   0.245
  130   HD13  LEU  21          HD13      LEU  21   0.970  -2.534   0.912
  131   HD21  LEU  21          HD21      LEU  21   4.711  -3.854   1.902
  132   HD22  LEU  21          HD22      LEU  21   4.675  -2.206   2.527
  133   HD23  LEU  21          HD23      LEU  21   4.461  -2.499   0.801
  134    H    LYS  22           H        LYS  22   4.052  -0.060   4.291
  135    HA   LYS  22           HA       LYS  22   2.470   1.194   6.426
  136    HB3  LYS  22           HB3      LYS  22   4.494   2.321   7.261
  137    HG3  LYS  22           HG3      LYS  22   4.114  -0.560   7.417
  138    HD3  LYS  22           HD3      LYS  22   6.815   0.470   7.215
  139    HE3  LYS  22           HE3      LYS  22   5.917  -0.750   9.809
  140    HZ1  LYS  22           HZ1      LYS  22   8.728  -0.567   9.595
  141    HZ2  LYS  22           HZ2      LYS  22   8.136  -1.585   8.379
  142    HZ3  LYS  22           HZ3      LYS  22   7.779  -1.907  10.000
  143    H    CYS  23           H        CYS  23   1.545   3.012   5.763
  144    HA   CYS  23           HA       CYS  23   2.286   4.175   3.224
  145    HB3  CYS  23           HB3      CYS  23   0.314   5.537   3.467
  146    H    ASN  24           H        ASN  24   1.807   6.832   3.507
  147    HA   ASN  24           HA       ASN  24   3.755   7.765   5.502
  148    HB3  ASN  24           HB3      ASN  24   5.152   7.953   3.698
  149   HD21  ASN  24          HD22      ASN  24   5.587   7.475   1.635
  150   HD22  ASN  24          HD21      ASN  24   4.397   7.266   0.400
  151    H    LYS  25           H        LYS  25   1.395   8.889   3.077
  152    HA   LYS  25           HA       LYS  25  -0.262  10.211   4.893
  153    HB3  LYS  25           HB3      LYS  25   0.691  12.533   3.628
  154    HG3  LYS  25           HG3      LYS  25   1.758  12.339   6.272
  155    HD3  LYS  25           HD3      LYS  25  -0.307  13.874   4.797
  156    HE3  LYS  25           HE3      LYS  25  -0.531  13.194   7.621
  157    HZ1  LYS  25           HZ1      LYS  25  -0.623  15.238   8.560
  158    HZ2  LYS  25           HZ2      LYS  25  -1.029  16.026   7.119
  159    HZ3  LYS  25           HZ3      LYS  25   0.572  15.568   7.409
  160    H    ALA  26           H        ALA  26   1.100  10.255   1.638
  161    HA   ALA  26           HA       ALA  26  -1.475  11.082   0.528
  162    HB1  ALA  26           HB1      ALA  26  -0.051  10.936  -1.656
  163    HB2  ALA  26           HB2      ALA  26   0.163  12.289  -0.544
  164    HB3  ALA  26           HB3      ALA  26   1.310  10.948  -0.533
  165    H    GLN  27           H        GLN  27  -0.865   8.383   1.729
  166    HA   GLN  27           HA       GLN  27  -1.361   6.197   1.344
  167    HB3  GLN  27           HB3      GLN  27  -3.174   5.717  -0.104
  168    HG3  GLN  27           HG3      GLN  27  -4.777   7.565   0.179
  169   HE21  GLN  27          HE22      GLN  27  -3.044   8.617   2.841
  170   HE22  GLN  27          HE21      GLN  27  -3.628   7.477   4.001
  171    H    ILE  28           H        ILE  28   0.625   5.345   0.876
  172    HA   ILE  28           HA       ILE  28   1.168   4.882  -1.971
  173    HB   ILE  28           HB       ILE  28   3.245   5.698   0.065
  174   HG13  ILE  28          HG13      ILE  28   3.565   7.656  -1.366
  175   HG21  ILE  28          HG21      ILE  28   4.310   4.120  -1.289
  176   HG22  ILE  28          HG22      ILE  28   3.468   4.663  -2.740
  177   HG23  ILE  28          HG23      ILE  28   4.727   5.668  -2.023
  178   HD11  ILE  28          HD11      ILE  28   2.040   6.187  -3.263
  179   HD12  ILE  28          HD12      ILE  28   1.196   7.690  -2.889
  180   HD13  ILE  28          HD13      ILE  28   2.866   7.733  -3.457
  181    H    CYS  29           H        CYS  29   1.774   3.941   1.380
  182    HA   CYS  29           HA       CYS  29   2.080   1.905   2.351
  183    HB3  CYS  29           HB3      CYS  29   1.674   0.037   0.276
  184    H    VAL  30           H        VAL  30   4.073   1.313   2.857
  185    HA   VAL  30           HA       VAL  30   5.762  -0.097   1.060
  186    HB   VAL  30           HB       VAL  30   7.618   1.822   1.559
  187   HG11  VAL  30          HG11      VAL  30   6.710   0.579  -0.602
  188   HG12  VAL  30          HG12      VAL  30   6.008   2.169  -0.909
  189   HG13  VAL  30          HG13      VAL  30   7.752   1.999  -0.706
  190   HG21  VAL  30          HG21      VAL  30   6.763   3.990   1.210
  191   HG22  VAL  30          HG22      VAL  30   5.173   3.376   0.758
  192   HG23  VAL  30          HG23      VAL  30   5.717   3.268   2.432
  193    H    ASP  31           H        ASP  31   8.131  -0.107   2.116
  194    HA   ASP  31           HA       ASP  31   8.394   0.259   4.885
  195    HB3  ASP  31           HB3      ASP  31   6.920  -1.432   5.439
  196    HA   PRO  32           HA       PRO  32  12.590  -0.571   3.921
  197    HB3  PRO  32           HB3      PRO  32  13.118   0.158   6.036
  198    HG3  PRO  32           HG3      PRO  32  11.759  -0.351   7.854
  199    HD3  PRO  32           HD3      PRO  32  10.174   0.456   6.387
  200    H    LYS  33           H        LYS  33  10.516  -3.126   4.883
  201    HA   LYS  33           HA       LYS  33  12.282  -5.309   4.832
  202    HB3  LYS  33           HB3      LYS  33   9.643  -5.928   3.765
  203    HG3  LYS  33           HG3      LYS  33  10.005  -6.686   6.501
  204    HD3  LYS  33           HD3      LYS  33  10.190  -8.316   3.967
  205    HE3  LYS  33           HE3      LYS  33  10.818  -9.261   6.319
  206    HZ1  LYS  33           HZ1      LYS  33   8.806 -10.218   7.387
  207    HZ2  LYS  33           HZ2      LYS  33   7.855  -9.196   6.432
  208    HZ3  LYS  33           HZ3      LYS  33   8.937  -8.539   7.554
  209    H    LYS  34           H        LYS  34  10.375  -3.787   2.260
  210    HA   LYS  34           HA       LYS  34  12.250  -4.769   0.283
  211    HB3  LYS  34           HB3      LYS  34   9.478  -5.309  -0.535
  212    HG3  LYS  34           HG3      LYS  34  11.334  -7.528  -0.610
  213    HD3  LYS  34           HD3      LYS  34  10.876  -7.018  -3.149
  214    HE3  LYS  34           HE3      LYS  34   9.813  -8.738  -1.415
  215    HZ1  LYS  34           HZ1      LYS  34   7.364  -8.507  -1.572
  216    HZ2  LYS  34           HZ2      LYS  34   7.577  -6.931  -2.148
  217    HZ3  LYS  34           HZ3      LYS  34   8.093  -7.338  -0.589
  218    H    GLY  35           H        GLY  35  12.567  -3.266  -1.238
  219    HA2  GLY  35           HA2      GLY  35  11.989  -1.601  -2.778
  220    HA3  GLY  35           HA3      GLY  35  10.404  -1.486  -2.026
  221    H    TRP  36           H        TRP  36  11.924   0.748  -2.765
  222    HA   TRP  36           HA       TRP  36  12.231   2.004  -0.146
  223    HB3  TRP  36           HB3      TRP  36  14.501   1.398  -0.691
  224    HD1  TRP  36           HD1      TRP  36  14.030   3.981  -3.537
  225    HE1  TRP  36           HE1      TRP  36  15.143   3.040  -5.657
  226    HE3  TRP  36           HE3      TRP  36  15.384  -0.621  -1.768
  227    HZ2  TRP  36           HZ2      TRP  36  16.426   0.660  -6.473
  228    HZ3  TRP  36           HZ3      TRP  36  16.550  -2.170  -3.282
  229    HH2  TRP  36           HH2      TRP  36  17.059  -1.541  -5.585
  Start of MODEL    3
    1    H1   ASP   1           H1       ASP   1 -12.250 -10.218   0.685
    2    HA   ASP   1           HA       ASP   1  -9.855 -10.556   0.702
    3    HB3  ASP   1           HB3      ASP   1  -8.935 -12.277  -0.889
    4    H    PHE   2           H        PHE   2  -9.168  -8.769  -0.254
    5    HA   PHE   2           HA       PHE   2 -10.110  -8.121  -2.949
    6    HB3  PHE   2           HB3      PHE   2  -8.808  -5.905  -2.290
    7    HD1  PHE   2           HD1      PHE   2 -11.173  -6.386  -3.719
    8    HD2  PHE   2           HD2      PHE   2 -10.753  -5.479   0.419
    9    HE1  PHE   2           HE1      PHE   2 -13.459  -5.476  -3.689
   10    HE2  PHE   2           HE2      PHE   2 -13.038  -4.568   0.455
   11    HZ   PHE   2           HZ       PHE   2 -14.395  -4.566  -1.601
   12    HA   PRO   3           HA       PRO   3  -6.278  -8.860  -4.950
   13    HB3  PRO   3           HB3      PRO   3  -7.254  -8.107  -6.889
   14    HG3  PRO   3           HG3      PRO   3  -8.725  -6.307  -6.870
   15    HD3  PRO   3           HD3      PRO   3  -9.637  -7.582  -5.181
   16    H    LEU   4           H        LEU   4  -6.736  -5.682  -3.526
   17    HA   LEU   4           HA       LEU   4  -5.283  -4.127  -2.701
   18    HB3  LEU   4           HB3      LEU   4  -5.012  -6.267  -1.259
   19    HG   LEU   4           HG       LEU   4  -2.752  -6.629  -2.999
   20   HD11  LEU   4          HD11      LEU   4  -2.183  -5.672  -0.274
   21   HD12  LEU   4          HD12      LEU   4  -1.176  -5.655  -1.720
   22   HD13  LEU   4          HD13      LEU   4  -1.328  -7.133  -0.770
   23   HD21  LEU   4          HD21      LEU   4  -2.613  -8.625  -1.212
   24   HD22  LEU   4          HD22      LEU   4  -3.772  -8.593  -2.542
   25   HD23  LEU   4          HD23      LEU   4  -4.269  -8.087  -0.927
   26    H    SER   5           H        SER   5  -2.569  -3.940  -2.489
   27    HA   SER   5           HA       SER   5  -1.182  -4.633  -4.871
   28    HB3  SER   5           HB3      SER   5  -1.849  -2.981  -6.233
   29    HG   SER   5           HG       SER   5  -3.096  -1.825  -3.960
   30    H    LYS   6           H        LYS   6   0.875  -4.771  -4.294
   31    HA   LYS   6           HA       LYS   6   1.796  -3.600  -1.835
   32    HB3  LYS   6           HB3      LYS   6   3.942  -4.730  -2.405
   33    HG3  LYS   6           HG3      LYS   6   1.567  -5.960  -1.688
   34    HD3  LYS   6           HD3      LYS   6   1.559  -6.814  -4.093
   35    HE3  LYS   6           HE3      LYS   6   3.336  -9.003  -3.419
   36    HZ1  LYS   6           HZ1      LYS   6   2.371  -7.796  -5.668
   37    HZ2  LYS   6           HZ2      LYS   6   3.528  -9.029  -5.618
   38    HZ3  LYS   6           HZ3      LYS   6   4.018  -7.412  -5.691
   39    H    GLU   7           H        GLU   7   3.730  -2.283  -1.659
   40    HA   GLU   7           HA       GLU   7   4.987  -0.449  -2.139
   41    HB3  GLU   7           HB3      GLU   7   4.825  -0.527  -5.040
   42    HG3  GLU   7           HG3      GLU   7   7.071  -1.047  -3.106
   43    H    TYR   8           H        TYR   8   4.909   1.486  -4.041
   44    HA   TYR   8           HA       TYR   8   2.820   3.115  -3.287
   45    HB3  TYR   8           HB3      TYR   8   4.833   3.959  -4.389
   46    HD1  TYR   8           HD1      TYR   8   6.178   2.089  -5.381
   47    HD2  TYR   8           HD2      TYR   8   3.013   3.979  -7.504
   48    HE1  TYR   8           HE1      TYR   8   7.061   1.185  -7.491
   49    HE2  TYR   8           HE2      TYR   8   3.885   3.079  -9.620
   50    HH   TYR   8           HH       TYR   8   6.949   1.363  -9.761
   51    H    GLU   9           H        GLU   9   0.710   3.012  -3.625
   52    HA   GLU   9           HA       GLU   9  -0.480   2.672  -6.149
   53    HB3  GLU   9           HB3      GLU   9  -1.324   0.343  -4.564
   54    HG3  GLU   9           HG3      GLU   9  -1.433   1.157  -7.245
   55    H    THR  10           H        THR  10  -0.605   4.316  -3.747
   56    HA   THR  10           HA       THR  10  -2.110   5.322  -2.357
   57    HB   THR  10           HB       THR  10  -4.347   4.422  -4.127
   58    HG1  THR  10           HG1      THR  10  -2.347   6.324  -4.852
   59   HG21  THR  10          HG21      THR  10  -4.365   6.121  -2.106
   60   HG22  THR  10          HG22      THR  10  -5.330   6.414  -3.552
   61   HG23  THR  10          HG23      THR  10  -3.786   7.240  -3.339
   62    H    CYS  11           H        CYS  11  -1.923   3.943  -0.575
   63    HA   CYS  11           HA       CYS  11  -3.521   1.567  -0.348
   64    HB3  CYS  11           HB3      CYS  11  -1.398   1.645   0.801
   65    H    VAL  12           H        VAL  12  -5.409   3.178  -0.987
   66    HA   VAL  12           HA       VAL  12  -6.553   4.669   1.177
   67    HB   VAL  12           HB       VAL  12  -8.546   4.850  -0.303
   68   HG11  VAL  12          HG11      VAL  12  -5.874   5.815  -0.813
   69   HG12  VAL  12          HG12      VAL  12  -6.811   5.712  -2.306
   70   HG13  VAL  12          HG13      VAL  12  -7.417   6.657  -0.945
   71   HG21  VAL  12          HG21      VAL  12  -7.868   2.534  -1.383
   72   HG22  VAL  12          HG22      VAL  12  -8.766   3.749  -2.293
   73   HG23  VAL  12          HG23      VAL  12  -7.025   3.583  -2.522
   74    H    ARG  13           H        ARG  13  -9.118   4.140   1.400
   75    HA   ARG  13           HA       ARG  13  -9.332   2.030   3.156
   76    HB3  ARG  13           HB3      ARG  13 -11.888   2.228   2.144
   77    HG3  ARG  13           HG3      ARG  13 -10.524   4.017   4.143
   78    HD3  ARG  13           HD3      ARG  13 -13.157   3.919   4.842
   79    HE   ARG  13           HE       ARG  13 -11.454   5.949   3.852
   80   HH11  ARG  13          HH11      ARG  13 -14.811   5.218   4.408
   81   HH12  ARG  13          HH12      ARG  13 -15.273   6.875   4.611
   82   HH21  ARG  13          HH22      ARG  13 -12.050   8.135   4.115
   83   HH22  ARG  13          HH21      ARG  13 -13.702   8.534   4.442
   84    HA   PRO  14           HA       PRO  14 -11.206  -0.744  -0.323
   85    HB3  PRO  14           HB3      PRO  14 -12.417   0.522  -1.810
   86    HG3  PRO  14           HG3      PRO  14 -11.759   2.686  -2.354
   87    HD3  PRO  14           HD3      PRO  14 -11.683   2.815  -0.055
   88    H    ARG  15           H        ARG  15  -8.249   0.896  -0.402
   89    HA   ARG  15           HA       ARG  15  -6.993  -1.297  -1.918
   90    HB3  ARG  15           HB3      ARG  15  -5.589   1.303  -1.487
   91    HG3  ARG  15           HG3      ARG  15  -4.980  -0.967  -2.919
   92    HD3  ARG  15           HD3      ARG  15  -6.623  -0.388  -4.633
   93    HE   ARG  15           HE       ARG  15  -5.705   2.254  -4.344
   94   HH11  ARG  15          HH11      ARG  15  -6.668  -0.010  -6.808
   95   HH12  ARG  15          HH12      ARG  15  -7.213   1.216  -7.905
   96   HH21  ARG  15          HH22      ARG  15  -6.420   3.877  -5.779
   97   HH22  ARG  15          HH21      ARG  15  -7.071   3.426  -7.318
   98    H    LYS  16           H        LYS  16  -7.675  -1.099   0.978
   99    HA   LYS  16           HA       LYS  16  -5.524  -0.578   2.620
  100    HB3  LYS  16           HB3      LYS  16  -7.242  -2.996   3.084
  101    HG3  LYS  16           HG3      LYS  16  -6.368  -0.779   4.927
  102    HD3  LYS  16           HD3      LYS  16  -7.778  -3.398   5.445
  103    HE3  LYS  16           HE3      LYS  16  -6.593  -1.338   7.286
  104    HZ1  LYS  16           HZ1      LYS  16  -9.064  -2.345   7.667
  105    HZ2  LYS  16           HZ2      LYS  16  -8.032  -1.825   8.903
  106    HZ3  LYS  16           HZ3      LYS  16  -8.107  -3.465   8.500
  107    H    CYS  17           H        CYS  17  -3.534  -1.364   2.747
  108    HA   CYS  17           HA       CYS  17  -2.572  -3.428   1.111
  109    HB3  CYS  17           HB3      CYS  17  -0.608  -3.328   2.868
  110    H    GLN  18           H        GLN  18  -3.329  -5.448   1.276
  111    HA   GLN  18           HA       GLN  18  -4.390  -6.711   3.482
  112    HB3  GLN  18           HB3      GLN  18  -3.250  -8.807   2.156
  113    HG3  GLN  18           HG3      GLN  18  -5.271  -8.792   0.675
  114   HE21  GLN  18          HE22      GLN  18  -7.612  -8.837   1.790
  115   HE22  GLN  18          HE21      GLN  18  -7.609  -9.630   3.325
  116    HA   PRO  19           HA       PRO  19  -0.084  -8.634   4.515
  117    HB3  PRO  19           HB3      PRO  19   1.123  -9.006   2.597
  118    HG3  PRO  19           HG3      PRO  19   0.964  -7.561   0.780
  119    HD3  PRO  19           HD3      PRO  19  -1.273  -7.933   1.189
  120    HA   PRO  20           HA       PRO  20   1.286  -5.549   7.333
  121    HB3  PRO  20           HB3      PRO  20   2.385  -7.201   8.492
  122    HG3  PRO  20           HG3      PRO  20   3.494  -8.914   7.377
  123    HD3  PRO  20           HD3      PRO  20   1.456  -8.997   6.305
  124    H    LEU  21           H        LEU  21   1.257  -3.813   5.756
  125    HA   LEU  21           HA       LEU  21   3.945  -3.014   4.852
  126    HB3  LEU  21           HB3      LEU  21   2.431  -1.431   3.374
  127    HG   LEU  21           HG       LEU  21   2.192  -3.218   1.597
  128   HD11  LEU  21          HD11      LEU  21   4.325  -1.738   2.385
  129   HD12  LEU  21          HD12      LEU  21   4.287  -2.758   0.946
  130   HD13  LEU  21          HD13      LEU  21   4.997  -3.369   2.442
  131   HD21  LEU  21          HD21      LEU  21   2.021  -5.104   3.221
  132   HD22  LEU  21          HD22      LEU  21   3.732  -4.881   3.583
  133   HD23  LEU  21          HD23      LEU  21   3.229  -5.345   1.958
  134    H    LYS  22           H        LYS  22   3.868  -0.455   4.461
  135    HA   LYS  22           HA       LYS  22   2.558   0.890   6.695
  136    HB3  LYS  22           HB3      LYS  22   5.514   1.261   6.252
  137    HG3  LYS  22           HG3      LYS  22   4.308   1.592   8.911
  138    HD3  LYS  22           HD3      LYS  22   5.697   3.842   8.370
  139    HE3  LYS  22           HE3      LYS  22   7.154   1.296   9.006
  140    HZ1  LYS  22           HZ1      LYS  22   7.586   4.110   9.423
  141    HZ2  LYS  22           HZ2      LYS  22   8.693   2.830   9.444
  142    HZ3  LYS  22           HZ3      LYS  22   7.786   3.188  10.826
  143    H    CYS  23           H        CYS  23   1.612   2.644   5.913
  144    HA   CYS  23           HA       CYS  23   2.438   3.745   3.364
  145    HB3  CYS  23           HB3      CYS  23   0.432   5.122   3.535
  146    H    ASN  24           H        ASN  24   1.863   6.399   3.576
  147    HA   ASN  24           HA       ASN  24   3.747   7.408   5.600
  148    HB3  ASN  24           HB3      ASN  24   4.435   9.108   3.814
  149   HD21  ASN  24          HD22      ASN  24   5.089   6.919   1.593
  150   HD22  ASN  24          HD21      ASN  24   6.495   6.170   2.263
  151    H    LYS  25           H        LYS  25   1.818   8.953   3.045
  152    HA   LYS  25           HA       LYS  25  -0.113  10.006   4.875
  153    HB3  LYS  25           HB3      LYS  25   1.486  11.587   5.533
  154    HG3  LYS  25           HG3      LYS  25   2.591  11.206   2.895
  155    HD3  LYS  25           HD3      LYS  25   3.487  13.684   3.014
  156    HE3  LYS  25           HE3      LYS  25   0.806  12.957   1.837
  157    HZ1  LYS  25           HZ1      LYS  25   2.278  14.752   0.273
  158    HZ2  LYS  25           HZ2      LYS  25   2.173  15.395   1.835
  159    HZ3  LYS  25           HZ3      LYS  25   0.764  14.987   0.992
  160    H    ALA  26           H        ALA  26   1.431  10.207   1.711
  161    HA   ALA  26           HA       ALA  26  -1.037  11.169   0.490
  162    HB1  ALA  26           HB1      ALA  26   1.772  10.816  -0.485
  163    HB2  ALA  26           HB2      ALA  26   0.441  11.039  -1.621
  164    HB3  ALA  26           HB3      ALA  26   0.790  12.279  -0.417
  165    H    GLN  27           H        GLN  27  -0.536   8.379   1.643
  166    HA   GLN  27           HA       GLN  27  -1.217   6.256   1.193
  167    HB3  GLN  27           HB3      GLN  27  -2.897   5.905  -0.483
  168    HG3  GLN  27           HG3      GLN  27  -3.097   8.064   1.339
  169   HE21  GLN  27          HE22      GLN  27  -5.869   8.691   0.592
  170   HE22  GLN  27          HE21      GLN  27  -5.763   9.974  -0.559
  171    H    ILE  28           H        ILE  28   0.750   5.295   0.871
  172    HA   ILE  28           HA       ILE  28   1.454   4.766  -1.924
  173    HB   ILE  28           HB       ILE  28   3.510   5.476   0.170
  174   HG13  ILE  28          HG13      ILE  28   3.850   7.545  -1.050
  175   HG21  ILE  28          HG21      ILE  28   3.814   5.000  -2.792
  176   HG22  ILE  28          HG22      ILE  28   5.103   5.382  -1.651
  177   HG23  ILE  28          HG23      ILE  28   4.243   3.848  -1.528
  178   HD11  ILE  28          HD11      ILE  28   1.697   7.954  -2.669
  179   HD12  ILE  28          HD12      ILE  28   3.332   7.582  -3.215
  180   HD13  ILE  28          HD13      ILE  28   2.142   6.291  -3.050
  181    H    CYS  29           H        CYS  29   2.063   3.942   1.476
  182    HA   CYS  29           HA       CYS  29   2.286   1.937   2.530
  183    HB3  CYS  29           HB3      CYS  29   1.698   0.097   0.393
  184    H    VAL  30           H        VAL  30   4.129   0.928   2.995
  185    HA   VAL  30           HA       VAL  30   5.744  -0.369   1.028
  186    HB   VAL  30           HB       VAL  30   7.769   1.182   1.891
  187   HG11  VAL  30          HG11      VAL  30   7.945   1.886  -0.283
  188   HG12  VAL  30          HG12      VAL  30   6.806   0.551  -0.476
  189   HG13  VAL  30          HG13      VAL  30   6.219   2.215  -0.432
  190   HG21  VAL  30          HG21      VAL  30   7.131   3.514   1.867
  191   HG22  VAL  30          HG22      VAL  30   5.444   3.080   1.592
  192   HG23  VAL  30          HG23      VAL  30   6.222   2.669   3.120
  193    H    ASP  31           H        ASP  31   7.981  -0.937   2.112
  194    HA   ASP  31           HA       ASP  31   8.288  -1.029   4.873
  195    HB3  ASP  31           HB3      ASP  31   7.677  -3.762   4.592
  196    HA   PRO  32           HA       PRO  32  12.172  -2.699   3.712
  197    HB3  PRO  32           HB3      PRO  32  12.851  -2.380   5.884
  198    HG3  PRO  32           HG3      PRO  32  11.406  -2.777   7.662
  199    HD3  PRO  32           HD3      PRO  32  10.060  -1.447   6.346
  200    H    LYS  33           H        LYS  33   9.826  -5.018   4.968
  201    HA   LYS  33           HA       LYS  33  11.064  -7.400   4.274
  202    HB3  LYS  33           HB3      LYS  33   8.426  -7.944   3.784
  203    HG3  LYS  33           HG3      LYS  33   9.084  -7.594   6.639
  204    HD3  LYS  33           HD3      LYS  33   8.371 -10.088   5.118
  205    HE3  LYS  33           HE3      LYS  33   7.406 -10.775   7.232
  206    HZ1  LYS  33           HZ1      LYS  33  10.106 -10.430   6.810
  207    HZ2  LYS  33           HZ2      LYS  33   9.377 -11.472   7.926
  208    HZ3  LYS  33           HZ3      LYS  33   9.845  -9.917   8.402
  209    H    LYS  34           H        LYS  34   8.747  -5.516   2.327
  210    HA   LYS  34           HA       LYS  34  10.093  -6.407  -0.096
  211    HB3  LYS  34           HB3      LYS  34   7.106  -6.662   0.005
  212    HG3  LYS  34           HG3      LYS  34   8.899  -6.957  -2.043
  213    HD3  LYS  34           HD3      LYS  34   8.438  -9.592  -0.707
  214    HE3  LYS  34           HE3      LYS  34   9.298  -9.697  -3.511
  215    HZ1  LYS  34           HZ1      LYS  34   7.787 -11.623  -3.472
  216    HZ2  LYS  34           HZ2      LYS  34   7.375 -11.255  -1.873
  217    HZ3  LYS  34           HZ3      LYS  34   8.962 -11.693  -2.258
  218    H    GLY  35           H        GLY  35  10.678  -4.378  -0.697
  219    HA2  GLY  35           HA2      GLY  35   8.944  -2.739  -2.088
  220    HA3  GLY  35           HA3      GLY  35   8.973  -2.107  -0.449
  221    H    TRP  36           H        TRP  36   9.785  -0.371  -2.221
  222    HA   TRP  36           HA       TRP  36  11.490   0.962  -2.924
  223    HB3  TRP  36           HB3      TRP  36  13.609   0.708  -1.346
  224    HD1  TRP  36           HD1      TRP  36  11.550   1.277   1.488
  225    HE1  TRP  36           HE1      TRP  36  10.776   3.723   1.683
  226    HE3  TRP  36           HE3      TRP  36  12.562   2.833  -3.276
  227    HZ2  TRP  36           HZ2      TRP  36  10.614   6.011   0.037
  228    HZ3  TRP  36           HZ3      TRP  36  12.067   5.165  -3.885
  229    HH2  TRP  36           HH2      TRP  36  11.112   6.720  -2.262
  Start of MODEL    4
    1    H1   ASP   1           H1       ASP   1  -7.884 -12.116   1.548
    2    HA   ASP   1           HA       ASP   1  -5.733 -12.686   0.253
    3    HB3  ASP   1           HB3      ASP   1  -6.336 -12.840  -2.246
    4    H    PHE   2           H        PHE   2  -8.505 -11.138  -1.375
    5    HA   PHE   2           HA       PHE   2  -8.788  -9.028  -2.186
    6    HB3  PHE   2           HB3      PHE   2  -8.461  -7.255  -0.630
    7    HD1  PHE   2           HD2      PHE   2 -10.761  -8.656  -0.700
    8    HD2  PHE   2           HD1      PHE   2  -7.699  -9.032   2.232
    9    HE1  PHE   2           HE2      PHE   2 -12.403  -9.560   0.894
   10    HE2  PHE   2           HE1      PHE   2  -9.335  -9.938   3.830
   11    HZ   PHE   2           HZ       PHE   2 -11.691 -10.202   3.163
   12    HA   PRO   3           HA       PRO   3  -4.525  -8.943  -4.016
   13    HB3  PRO   3           HB3      PRO   3  -5.099 -10.517  -5.588
   14    HG3  PRO   3           HG3      PRO   3  -7.320 -10.866  -6.181
   15    HD3  PRO   3           HD3      PRO   3  -7.502 -10.966  -3.886
   16    H    LEU   4           H        LEU   4  -4.760  -6.710  -3.106
   17    HA   LEU   4           HA       LEU   4  -5.698  -4.755  -5.082
   18    HB3  LEU   4           HB3      LEU   4  -6.563  -4.560  -2.791
   19    HG   LEU   4           HG       LEU   4  -3.853  -4.860  -1.956
   20   HD11  LEU   4          HD11      LEU   4  -3.262  -2.938  -0.935
   21   HD12  LEU   4          HD12      LEU   4  -4.928  -2.486  -0.578
   22   HD13  LEU   4          HD13      LEU   4  -4.270  -2.216  -2.191
   23   HD21  LEU   4          HD21      LEU   4  -4.826  -5.270   0.127
   24   HD22  LEU   4          HD22      LEU   4  -6.063  -5.766  -1.029
   25   HD23  LEU   4          HD23      LEU   4  -6.200  -4.214  -0.203
   26    H    SER   5           H        SER   5  -4.223  -2.565  -4.476
   27    HA   SER   5           HA       SER   5  -1.932  -2.832  -5.988
   28    HB3  SER   5           HB3      SER   5  -1.282  -0.713  -4.385
   29    HG   SER   5           HG       SER   5  -3.277  -0.087  -6.144
   30    H    LYS   6           H        LYS   6   0.343  -2.306  -5.182
   31    HA   LYS   6           HA       LYS   6   0.920  -3.887  -2.761
   32    HB3  LYS   6           HB3      LYS   6   3.013  -4.617  -3.862
   33    HG3  LYS   6           HG3      LYS   6   0.615  -5.228  -5.579
   34    HD3  LYS   6           HD3      LYS   6   3.111  -5.910  -6.167
   35    HE3  LYS   6           HE3      LYS   6   2.410  -8.409  -4.774
   36    HZ1  LYS   6           HZ1      LYS   6   4.758  -8.579  -4.568
   37    HZ2  LYS   6           HZ2      LYS   6   4.986  -6.952  -4.969
   38    HZ3  LYS   6           HZ3      LYS   6   4.436  -8.042  -6.139
   39    H    GLU   7           H        GLU   7   3.540  -3.457  -2.414
   40    HA   GLU   7           HA       GLU   7   3.731  -1.037  -1.130
   41    HB3  GLU   7           HB3      GLU   7   5.967  -2.636  -2.386
   42    HG3  GLU   7           HG3      GLU   7   5.998  -0.317  -0.532
   43    H    TYR   8           H        TYR   8   4.327   1.012  -1.640
   44    HA   TYR   8           HA       TYR   8   4.734   2.864  -2.897
   45    HB3  TYR   8           HB3      TYR   8   5.990   1.147  -5.020
   46    HD1  TYR   8           HD1      TYR   8   7.420   3.710  -2.762
   47    HD2  TYR   8           HD2      TYR   8   6.046   2.822  -6.690
   48    HE1  TYR   8           HE1      TYR   8   8.359   5.837  -3.566
   49    HE2  TYR   8           HE2      TYR   8   6.982   4.946  -7.504
   50    HH   TYR   8           HH       TYR   8   7.606   7.409  -5.915
   51    H    GLU   9           H        GLU   9   2.355   2.781  -3.176
   52    HA   GLU   9           HA       GLU   9   1.659   3.244  -5.882
   53    HB3  GLU   9           HB3      GLU   9  -0.231   1.244  -5.307
   54    HG3  GLU   9           HG3      GLU   9   1.359   1.967  -7.443
   55    H    THR  10           H        THR  10  -0.233   1.856  -3.207
   56    HA   THR  10           HA       THR  10  -1.247   4.315  -2.263
   57    HB   THR  10           HB       THR  10  -3.679   3.318  -3.217
   58    HG1  THR  10           HG1      THR  10  -3.255   3.362  -5.522
   59   HG21  THR  10          HG21      THR  10  -2.027   5.715  -3.483
   60   HG22  THR  10          HG22      THR  10  -3.763   5.562  -3.220
   61   HG23  THR  10          HG23      THR  10  -3.105   5.448  -4.852
   62    H    CYS  11           H        CYS  11  -3.495   3.820  -1.073
   63    HA   CYS  11           HA       CYS  11  -4.065   1.238  -0.176
   64    HB3  CYS  11           HB3      CYS  11  -1.935   1.125   0.877
   65    H    VAL  12           H        VAL  12  -5.995   2.602  -0.730
   66    HA   VAL  12           HA       VAL  12  -6.814   4.540   1.258
   67    HB   VAL  12           HB       VAL  12  -8.937   4.619  -0.066
   68   HG11  VAL  12          HG11      VAL  12  -6.489   4.978  -1.783
   69   HG12  VAL  12          HG12      VAL  12  -8.009   5.870  -1.866
   70   HG13  VAL  12          HG13      VAL  12  -6.937   6.079  -0.481
   71   HG21  VAL  12          HG21      VAL  12  -8.332   2.167  -0.936
   72   HG22  VAL  12          HG22      VAL  12  -9.362   3.275  -1.845
   73   HG23  VAL  12          HG23      VAL  12  -7.658   3.107  -2.267
   74    H    ARG  13           H        ARG  13  -9.356   4.218   1.790
   75    HA   ARG  13           HA       ARG  13  -9.477   2.265   3.769
   76    HB3  ARG  13           HB3      ARG  13 -12.131   2.779   3.003
   77    HG3  ARG  13           HG3      ARG  13 -10.416   4.296   4.957
   78    HD3  ARG  13           HD3      ARG  13 -13.145   4.038   5.728
   79    HE   ARG  13           HE       ARG  13 -11.223   6.091   5.652
   80   HH11  ARG  13          HH11      ARG  13 -14.671   5.618   5.533
   81   HH12  ARG  13          HH12      ARG  13 -15.037   7.166   6.223
   82   HH21  ARG  13          HH22      ARG  13 -11.694   8.130   6.560
   83   HH22  ARG  13          HH21      ARG  13 -13.344   8.593   6.806
   84    HA   PRO  14           HA       PRO  14 -12.191  -0.429   0.822
   85    HB3  PRO  14           HB3      PRO  14 -13.481   0.901  -0.537
   86    HG3  PRO  14           HG3      PRO  14 -12.687   2.940  -1.324
   87    HD3  PRO  14           HD3      PRO  14 -12.219   3.172   0.921
   88    H    ARG  15           H        ARG  15  -9.119   0.820   0.196
   89    HA   ARG  15           HA       ARG  15  -8.312  -1.708  -1.054
   90    HB3  ARG  15           HB3      ARG  15  -6.866   0.723  -1.941
   91    HG3  ARG  15           HG3      ARG  15  -7.396  -1.970  -2.928
   92    HD3  ARG  15           HD3      ARG  15  -6.988  -1.007  -5.329
   93    HE   ARG  15           HE       ARG  15  -9.766  -0.704  -4.833
   94   HH11  ARG  15          HH11      ARG  15  -7.178  -3.031  -4.752
   95   HH12  ARG  15          HH12      ARG  15  -8.218  -4.393  -5.008
   96   HH21  ARG  15          HH22      ARG  15 -11.147  -2.489  -5.170
   97   HH22  ARG  15          HH21      ARG  15 -10.477  -4.083  -5.246
   98    H    LYS  16           H        LYS  16  -8.080  -1.328   1.601
   99    HA   LYS  16           HA       LYS  16  -5.672  -0.100   2.444
  100    HB3  LYS  16           HB3      LYS  16  -6.575  -2.369   4.064
  101    HG3  LYS  16           HG3      LYS  16  -6.478   0.591   4.619
  102    HD3  LYS  16           HD3      LYS  16  -6.350  -1.462   6.756
  103    HE3  LYS  16           HE3      LYS  16  -6.507   1.302   6.625
  104    HZ1  LYS  16           HZ1      LYS  16  -8.785   1.463   6.286
  105    HZ2  LYS  16           HZ2      LYS  16  -8.640   1.593   7.967
  106    HZ3  LYS  16           HZ3      LYS  16  -9.141   0.135   7.271
  107    H    CYS  17           H        CYS  17  -3.630  -0.854   2.631
  108    HA   CYS  17           HA       CYS  17  -2.660  -2.848   0.999
  109    HB3  CYS  17           HB3      CYS  17  -0.774  -2.838   2.951
  110    H    GLN  18           H        GLN  18  -3.116  -4.942   1.003
  111    HA   GLN  18           HA       GLN  18  -4.197  -6.336   3.205
  112    HB3  GLN  18           HB3      GLN  18  -3.116  -7.141   0.531
  113    HG3  GLN  18           HG3      GLN  18  -4.255  -9.435   1.332
  114   HE21  GLN  18          HE22      GLN  18  -2.791  -9.284  -0.616
  115   HE22  GLN  18          HE21      GLN  18  -1.167  -9.831  -0.407
  116    HA   PRO  19           HA       PRO  19   0.192  -8.335   3.620
  117    HB3  PRO  19           HB3      PRO  19   1.264  -8.379   1.589
  118    HG3  PRO  19           HG3      PRO  19   0.946  -6.686   0.027
  119    HD3  PRO  19           HD3      PRO  19  -1.249  -7.184   0.526
  120    HA   PRO  20           HA       PRO  20   1.693  -5.663   6.773
  121    HB3  PRO  20           HB3      PRO  20   2.896  -7.437   7.599
  122    HG3  PRO  20           HG3      PRO  20   3.955  -8.937   6.172
  123    HD3  PRO  20           HD3      PRO  20   1.850  -8.916   5.233
  124    H    LEU  21           H        LEU  21   1.489  -3.850   5.126
  125    HA   LEU  21           HA       LEU  21   4.135  -2.773   4.416
  126    HB3  LEU  21           HB3      LEU  21   2.575  -1.200   2.999
  127    HG   LEU  21           HG       LEU  21   2.473  -2.858   1.102
  128   HD11  LEU  21          HD11      LEU  21   5.141  -3.148   1.313
  129   HD12  LEU  21          HD12      LEU  21   4.866  -1.886   2.514
  130   HD13  LEU  21          HD13      LEU  21   4.350  -1.643   0.845
  131   HD21  LEU  21          HD21      LEU  21   2.338  -4.835   2.696
  132   HD22  LEU  21          HD22      LEU  21   4.076  -4.632   2.921
  133   HD23  LEU  21          HD23      LEU  21   3.430  -4.994   1.321
  134    H    LYS  22           H        LYS  22   3.893  -0.208   4.222
  135    HA   LYS  22           HA       LYS  22   2.441   0.853   6.525
  136    HB3  LYS  22           HB3      LYS  22   5.319   1.619   6.159
  137    HG3  LYS  22           HG3      LYS  22   3.249   2.050   8.172
  138    HD3  LYS  22           HD3      LYS  22   5.306   2.174   9.869
  139    HE3  LYS  22           HE3      LYS  22   4.117  -0.534   9.573
  140    HZ1  LYS  22           HZ1      LYS  22   3.878   1.221  11.916
  141    HZ2  LYS  22           HZ2      LYS  22   5.374   0.505  11.576
  142    HZ3  LYS  22           HZ3      LYS  22   4.014  -0.463  11.846
  143    H    CYS  23           H        CYS  23   1.235   2.413   5.676
  144    HA   CYS  23           HA       CYS  23   1.969   3.799   3.279
  145    HB3  CYS  23           HB3      CYS  23  -0.128   5.030   3.601
  146    H    ASN  24           H        ASN  24   1.354   6.366   3.518
  147    HA   ASN  24           HA       ASN  24   3.007   7.444   5.695
  148    HB3  ASN  24           HB3      ASN  24   3.898   9.111   3.978
  149   HD21  ASN  24          HD22      ASN  24   5.152   7.382   1.871
  150   HD22  ASN  24          HD21      ASN  24   6.345   6.465   2.720
  151    H    LYS  25           H        LYS  25   1.386   8.895   2.883
  152    HA   LYS  25           HA       LYS  25  -0.760   9.964   4.448
  153    HB3  LYS  25           HB3      LYS  25   1.331  11.885   3.407
  154    HG3  LYS  25           HG3      LYS  25  -0.540  12.978   5.297
  155    HD3  LYS  25           HD3      LYS  25   1.061  14.042   3.527
  156    HE3  LYS  25           HE3      LYS  25  -1.270  13.161   1.931
  157    HZ1  LYS  25           HZ1      LYS  25  -1.805  15.304   1.509
  158    HZ2  LYS  25           HZ2      LYS  25  -0.514  15.179   0.421
  159    HZ3  LYS  25           HZ3      LYS  25  -0.281  15.905   1.931
  160    H    ALA  26           H        ALA  26   1.126  10.133   1.468
  161    HA   ALA  26           HA       ALA  26  -1.243  10.931  -0.042
  162    HB1  ALA  26           HB1      ALA  26   0.805  12.108  -0.555
  163    HB2  ALA  26           HB2      ALA  26   1.625  10.586  -0.906
  164    HB3  ALA  26           HB3      ALA  26   0.312  11.141  -1.944
  165    H    GLN  27           H        GLN  27  -0.722   8.202   1.207
  166    HA   GLN  27           HA       GLN  27  -1.161   6.026   0.716
  167    HB3  GLN  27           HB3      GLN  27  -2.612   5.541  -1.156
  168    HG3  GLN  27           HG3      GLN  27  -4.456   6.886  -0.716
  169   HE21  GLN  27          HE22      GLN  27  -3.594   8.808   1.699
  170   HE22  GLN  27          HE21      GLN  27  -3.641   7.707   3.030
  171    H    ILE  28           H        ILE  28   0.952   5.309   0.615
  172    HA   ILE  28           HA       ILE  28   1.942   4.781  -2.096
  173    HB   ILE  28           HB       ILE  28   3.756   5.643   0.155
  174   HG13  ILE  28          HG13      ILE  28   3.985   7.776  -0.988
  175   HG21  ILE  28          HG21      ILE  28   5.407   5.862  -1.689
  176   HG22  ILE  28          HG22      ILE  28   4.856   4.210  -1.424
  177   HG23  ILE  28          HG23      ILE  28   4.223   5.142  -2.780
  178   HD11  ILE  28          HD11      ILE  28   1.760   7.837  -2.706
  179   HD12  ILE  28          HD12      ILE  28   3.461   8.054  -3.113
  180   HD13  ILE  28          HD13      ILE  28   2.737   6.446  -3.174
  181    H    CYS  29           H        CYS  29   2.232   4.037   1.359
  182    HA   CYS  29           HA       CYS  29   2.524   2.070   2.465
  183    HB3  CYS  29           HB3      CYS  29   2.346   0.050   0.537
  184    H    VAL  30           H        VAL  30   4.394   1.266   3.154
  185    HA   VAL  30           HA       VAL  30   6.335   0.118   1.387
  186    HB   VAL  30           HB       VAL  30   8.064   1.866   2.550
  187   HG11  VAL  30          HG11      VAL  30   6.990   1.355  -0.068
  188   HG12  VAL  30          HG12      VAL  30   7.382   3.065   0.117
  189   HG13  VAL  30          HG13      VAL  30   8.619   1.840   0.398
  190   HG21  VAL  30          HG21      VAL  30   6.081   3.172   3.387
  191   HG22  VAL  30          HG22      VAL  30   7.239   4.091   2.424
  192   HG23  VAL  30          HG23      VAL  30   5.720   3.557   1.705
  193    H    ASP  31           H        ASP  31   8.504  -0.164   2.774
  194    HA   ASP  31           HA       ASP  31   8.329  -0.349   5.568
  195    HB3  ASP  31           HB3      ASP  31   6.800  -2.079   5.553
  196    HA   PRO  32           HA       PRO  32  12.629  -1.088   5.122
  197    HB3  PRO  32           HB3      PRO  32  12.813  -0.806   7.394
  198    HG3  PRO  32           HG3      PRO  32  11.188  -1.628   8.841
  199    HD3  PRO  32           HD3      PRO  32   9.851  -0.504   7.338
  200    H    LYS  33           H        LYS  33  10.499  -3.815   5.460
  201    HA   LYS  33           HA       LYS  33  12.266  -5.941   5.154
  202    HB3  LYS  33           HB3      LYS  33   9.738  -6.230   3.683
  203    HG3  LYS  33           HG3      LYS  33  11.247  -7.688   5.769
  204    HD3  LYS  33           HD3      LYS  33   9.175  -9.146   6.071
  205    HE3  LYS  33           HE3      LYS  33   8.180  -7.128   7.618
  206    HZ1  LYS  33           HZ1      LYS  33   8.897  -8.587   9.099
  207    HZ2  LYS  33           HZ2      LYS  33  10.486  -8.047   8.886
  208    HZ3  LYS  33           HZ3      LYS  33   9.895  -9.326   7.951
  209    H    LYS  34           H        LYS  34  11.045  -3.663   2.813
  210    HA   LYS  34           HA       LYS  34  12.668  -4.994   0.745
  211    HB3  LYS  34           HB3      LYS  34  10.163  -3.398   0.205
  212    HG3  LYS  34           HG3      LYS  34  12.022  -3.961  -1.587
  213    HD3  LYS  34           HD3      LYS  34  10.785  -6.077  -2.741
  214    HE3  LYS  34           HE3      LYS  34  13.284  -5.577  -1.376
  215    HZ1  LYS  34           HZ1      LYS  34  13.765  -7.534  -0.452
  216    HZ2  LYS  34           HZ2      LYS  34  12.993  -8.425  -1.665
  217    HZ3  LYS  34           HZ3      LYS  34  12.094  -7.788  -0.382
  218    H    GLY  35           H        GLY  35  14.300  -3.793   0.036
  219    HA2  GLY  35           HA2      GLY  35  14.599  -1.065   0.852
  220    HA3  GLY  35           HA3      GLY  35  15.699  -1.970  -0.177
  221    H    TRP  36           H        TRP  36  12.749  -0.057  -0.119
  222    HA   TRP  36           HA       TRP  36  11.723   1.216  -1.699
  223    HB3  TRP  36           HB3      TRP  36  14.140   1.097  -3.459
  224    HD1  TRP  36           HD1      TRP  36  12.720   2.277  -5.361
  225    HE1  TRP  36           HE1      TRP  36  11.767   4.656  -5.603
  226    HE3  TRP  36           HE3      TRP  36  13.227   3.852  -0.524
  227    HZ2  TRP  36           HZ2      TRP  36  11.295   6.904  -3.962
  228    HZ3  TRP  36           HZ3      TRP  36  12.501   6.130   0.058
  229    HH2  TRP  36           HH2      TRP  36  11.556   7.622  -1.627
  Start of MODEL    5
    1    H1   ASP   1           H1       ASP   1 -13.491  -4.747  -0.251
    2    HA   ASP   1           HA       ASP   1 -11.632  -3.364   0.754
    3    HB3  ASP   1           HB3      ASP   1  -9.992  -4.725   2.071
    4    H    PHE   2           H        PHE   2 -11.528  -6.776  -0.244
    5    HA   PHE   2           HA       PHE   2 -10.489  -7.819  -1.978
    6    HB3  PHE   2           HB3      PHE   2 -10.143  -6.630  -4.014
    7    HD1  PHE   2           HD2      PHE   2 -12.419  -7.833  -3.852
    8    HD2  PHE   2           HD1      PHE   2 -11.845  -3.711  -2.959
    9    HE1  PHE   2           HE2      PHE   2 -14.822  -7.431  -4.187
   10    HE2  PHE   2           HE1      PHE   2 -14.249  -3.302  -3.291
   11    HZ   PHE   2           HZ       PHE   2 -15.741  -5.162  -3.907
   12    HA   PRO   3           HA       PRO   3  -6.204  -7.816  -1.030
   13    HB3  PRO   3           HB3      PRO   3  -6.107  -9.885  -2.025
   14    HG3  PRO   3           HG3      PRO   3  -7.368 -10.365  -3.919
   15    HD3  PRO   3           HD3      PRO   3  -9.008  -9.475  -2.566
   16    H    LEU   4           H        LEU   4  -3.996  -7.323  -2.133
   17    HA   LEU   4           HA       LEU   4  -3.852  -5.516  -4.284
   18    HB3  LEU   4           HB3      LEU   4  -4.077  -4.349  -1.536
   19    HG   LEU   4           HG       LEU   4  -1.993  -3.387  -2.361
   20   HD11  LEU   4          HD11      LEU   4  -1.671  -3.103  -4.534
   21   HD12  LEU   4          HD12      LEU   4  -2.871  -1.812  -4.523
   22   HD13  LEU   4          HD13      LEU   4  -3.363  -3.470  -4.866
   23   HD21  LEU   4          HD21      LEU   4  -3.752  -2.032  -1.137
   24   HD22  LEU   4          HD22      LEU   4  -4.178  -1.353  -2.707
   25   HD23  LEU   4          HD23      LEU   4  -2.556  -1.118  -2.057
   26    H    SER   5           H        SER   5  -1.765  -5.204  -4.914
   27    HA   SER   5           HA       SER   5   0.234  -6.865  -3.879
   28    HB3  SER   5           HB3      SER   5   1.423  -4.649  -5.264
   29    HG   SER   5           HG       SER   5   1.421  -6.453  -6.934
   30    H    LYS   6           H        LYS   6   2.550  -5.517  -3.615
   31    HA   LYS   6           HA       LYS   6   2.112  -3.892  -1.197
   32    HB3  LYS   6           HB3      LYS   6   3.232  -6.088  -0.837
   33    HG3  LYS   6           HG3      LYS   6   5.768  -5.067  -1.951
   34    HD3  LYS   6           HD3      LYS   6   4.447  -7.752  -1.612
   35    HE3  LYS   6           HE3      LYS   6   6.366  -7.034  -3.564
   36    HZ1  LYS   6           HZ1      LYS   6   8.334  -7.732  -2.841
   37    HZ2  LYS   6           HZ2      LYS   6   7.684  -9.111  -2.107
   38    HZ3  LYS   6           HZ3      LYS   6   7.709  -7.640  -1.272
   39    H    GLU   7           H        GLU   7   4.612  -2.858  -0.837
   40    HA   GLU   7           HA       GLU   7   5.981  -1.146  -1.444
   41    HB3  GLU   7           HB3      GLU   7   5.960  -1.059  -4.228
   42    HG3  GLU   7           HG3      GLU   7   7.940  -1.122  -2.695
   43    H    TYR   8           H        TYR   8   6.006   0.834  -3.146
   44    HA   TYR   8           HA       TYR   8   3.916   2.498  -2.446
   45    HB3  TYR   8           HB3      TYR   8   6.053   3.323  -3.313
   46    HD1  TYR   8           HD2      TYR   8   7.430   1.511  -4.337
   47    HD2  TYR   8           HD1      TYR   8   4.463   3.610  -6.550
   48    HE1  TYR   8           HE2      TYR   8   8.446   0.725  -6.435
   49    HE2  TYR   8           HE1      TYR   8   5.471   2.829  -8.654
   50    HH   TYR   8           HH       TYR   8   7.187   0.454  -9.099
   51    H    GLU   9           H        GLU   9   1.857   2.611  -3.025
   52    HA   GLU   9           HA       GLU   9   0.977   2.234  -5.715
   53    HB3  GLU   9           HB3      GLU   9   0.301   0.119  -3.667
   54    HG3  GLU   9           HG3      GLU   9  -1.221   1.010  -5.978
   55    H    THR  10           H        THR  10  -0.696   1.499  -2.673
   56    HA   THR  10           HA       THR  10  -1.810   3.992  -2.172
   57    HB   THR  10           HB       THR  10  -2.979   4.019  -4.217
   58    HG1  THR  10           HG1      THR  10  -4.891   4.362  -3.350
   59   HG21  THR  10          HG21      THR  10  -2.966   1.998  -5.249
   60   HG22  THR  10          HG22      THR  10  -4.586   1.889  -4.561
   61   HG23  THR  10          HG23      THR  10  -3.229   1.110  -3.748
   62    H    CYS  11           H        CYS  11  -2.825   3.950  -0.245
   63    HA   CYS  11           HA       CYS  11  -3.851   1.374   0.735
   64    HB3  CYS  11           HB3      CYS  11  -1.747   1.515   1.804
   65    H    VAL  12           H        VAL  12  -5.760   2.743  -0.159
   66    HA   VAL  12           HA       VAL  12  -6.706   4.802   1.643
   67    HB   VAL  12           HB       VAL  12  -8.466   3.595  -0.442
   68   HG11  VAL  12          HG11      VAL  12  -9.664   5.379   0.120
   69   HG12  VAL  12          HG12      VAL  12  -8.366   5.974   1.156
   70   HG13  VAL  12          HG13      VAL  12  -8.395   6.399  -0.555
   71   HG21  VAL  12          HG21      VAL  12  -5.929   5.083  -0.950
   72   HG22  VAL  12          HG22      VAL  12  -6.630   3.723  -1.825
   73   HG23  VAL  12          HG23      VAL  12  -7.312   5.338  -2.013
   74    H    ARG  13           H        ARG  13  -9.036   4.646   2.403
   75    HA   ARG  13           HA       ARG  13  -9.350   2.755   4.339
   76    HB3  ARG  13           HB3      ARG  13 -11.968   3.268   3.492
   77    HG3  ARG  13           HG3      ARG  13 -11.024   3.499   5.799
   78    HD3  ARG  13           HD3      ARG  13 -10.537   6.298   5.693
   79    HE   ARG  13           HE       ARG  13  -8.291   4.626   6.267
   80   HH11  ARG  13          HH11      ARG  13 -11.390   5.690   7.442
   81   HH12  ARG  13          HH12      ARG  13 -11.003   5.402   9.107
   82   HH21  ARG  13          HH22      ARG  13  -7.769   4.244   8.454
   83   HH22  ARG  13          HH21      ARG  13  -8.943   4.581   9.681
   84    HA   PRO  14           HA       PRO  14 -12.025  -0.036   1.446
   85    HB3  PRO  14           HB3      PRO  14 -13.238   1.245  -0.026
   86    HG3  PRO  14           HG3      PRO  14 -12.372   3.222  -0.890
   87    HD3  PRO  14           HD3      PRO  14 -11.975   3.564   1.355
   88    H    ARG  15           H        ARG  15  -9.329   1.378  -0.413
   89    HA   ARG  15           HA       ARG  15  -8.434  -1.281  -1.191
   90    HB3  ARG  15           HB3      ARG  15  -6.547   0.507  -2.122
   91    HG3  ARG  15           HG3      ARG  15  -8.869  -0.870  -3.274
   92    HD3  ARG  15           HD3      ARG  15  -7.822   0.621  -5.404
   93    HE   ARG  15           HE       ARG  15 -10.422   1.415  -4.505
   94   HH11  ARG  15          HH11      ARG  15  -8.586  -1.178  -5.930
   95   HH12  ARG  15          HH12      ARG  15  -9.957  -1.894  -6.711
   96   HH21  ARG  15          HH22      ARG  15 -12.235   0.481  -5.529
   97   HH22  ARG  15          HH21      ARG  15 -12.032  -0.948  -6.482
   98    H    LYS  16           H        LYS  16  -7.467  -2.306   0.472
   99    HA   LYS  16           HA       LYS  16  -5.255  -0.903   1.823
  100    HB3  LYS  16           HB3      LYS  16  -5.871  -3.020   3.467
  101    HG3  LYS  16           HG3      LYS  16  -7.439  -1.057   4.530
  102    HD3  LYS  16           HD3      LYS  16  -5.190  -2.283   5.243
  103    HE3  LYS  16           HE3      LYS  16  -4.195   0.523   4.938
  104    HZ1  LYS  16           HZ1      LYS  16  -2.046  -0.748   4.964
  105    HZ2  LYS  16           HZ2      LYS  16  -2.941  -2.125   5.371
  106    HZ3  LYS  16           HZ3      LYS  16  -2.928  -0.788   6.406
  107    H    CYS  17           H        CYS  17  -3.288  -1.712   1.517
  108    HA   CYS  17           HA       CYS  17  -2.678  -3.739  -0.249
  109    HB3  CYS  17           HB3      CYS  17  -0.447  -3.822   1.092
  110    H    GLN  18           H        GLN  18  -2.757  -5.886  -0.191
  111    HA   GLN  18           HA       GLN  18  -3.946  -7.354   1.817
  112    HB3  GLN  18           HB3      GLN  18  -2.048  -9.032   0.493
  113    HG3  GLN  18           HG3      GLN  18  -4.274  -9.489  -0.890
  114   HE21  GLN  18          HE22      GLN  18  -3.809 -11.576  -0.694
  115   HE22  GLN  18          HE21      GLN  18  -3.825 -12.470   0.784
  116    HA   PRO  19           HA       PRO  19   0.395  -8.672   3.467
  117    HB3  PRO  19           HB3      PRO  19   1.913  -8.805   1.747
  118    HG3  PRO  19           HG3      PRO  19   1.812  -7.343  -0.058
  119    HD3  PRO  19           HD3      PRO  19  -0.382  -8.045   0.006
  120    HA   PRO  20           HA       PRO  20   0.865  -5.513   6.488
  121    HB3  PRO  20           HB3      PRO  20   2.005  -7.027   7.787
  122    HG3  PRO  20           HG3      PRO  20   3.503  -8.532   6.839
  123    HD3  PRO  20           HD3      PRO  20   1.682  -8.869   5.467
  124    H    LEU  21           H        LEU  21   0.818  -3.691   5.068
  125    HA   LEU  21           HA       LEU  21   3.468  -2.524   4.524
  126    HB3  LEU  21           HB3      LEU  21   1.966  -1.082   2.902
  127    HG   LEU  21           HG       LEU  21   2.190  -2.798   1.059
  128   HD11  LEU  21          HD11      LEU  21   4.513  -1.894   2.729
  129   HD12  LEU  21          HD12      LEU  21   3.895  -1.200   1.230
  130   HD13  LEU  21          HD13      LEU  21   4.733  -2.752   1.204
  131   HD21  LEU  21          HD21      LEU  21   3.843  -4.381   2.977
  132   HD22  LEU  21          HD22      LEU  21   3.147  -4.862   1.429
  133   HD23  LEU  21          HD23      LEU  21   2.111  -4.690   2.847
  134    H    LYS  22           H        LYS  22   3.137   0.011   4.229
  135    HA   LYS  22           HA       LYS  22   1.374   1.069   6.305
  136    HB3  LYS  22           HB3      LYS  22   4.232   1.970   6.274
  137    HG3  LYS  22           HG3      LYS  22   3.051   1.690   8.862
  138    HD3  LYS  22           HD3      LYS  22   3.365   4.384   7.757
  139    HE3  LYS  22           HE3      LYS  22   4.303   2.796  10.100
  140    HZ1  LYS  22           HZ1      LYS  22   6.313   3.839   9.597
  141    HZ2  LYS  22           HZ2      LYS  22   5.587   4.874  10.721
  142    HZ3  LYS  22           HZ3      LYS  22   5.567   5.264   9.075
  143    H    CYS  23           H        CYS  23   1.180   3.423   6.230
  144    HA   CYS  23           HA       CYS  23   1.479   4.395   3.478
  145    HB3  CYS  23           HB3      CYS  23  -0.250   6.013   4.020
  146    H    ASN  24           H        ASN  24   1.553   6.992   3.561
  147    HA   ASN  24           HA       ASN  24   3.656   7.792   5.449
  148    HB3  ASN  24           HB3      ASN  24   5.061   7.531   3.664
  149   HD21  ASN  24          HD22      ASN  24   3.490   9.505   1.426
  150   HD22  ASN  24          HD21      ASN  24   3.021   8.280   0.302
  151    H    LYS  25           H        LYS  25   2.069   9.359   2.678
  152    HA   LYS  25           HA       LYS  25   0.271  10.931   4.122
  153    HB3  LYS  25           HB3      LYS  25   2.033  12.083   5.180
  154    HG3  LYS  25           HG3      LYS  25   3.497  11.575   2.739
  155    HD3  LYS  25           HD3      LYS  25   4.049  14.247   3.984
  156    HE3  LYS  25           HE3      LYS  25   4.648  13.962   1.195
  157    HZ1  LYS  25           HZ1      LYS  25   6.985  14.198   2.211
  158    HZ2  LYS  25           HZ2      LYS  25   6.167  14.448   3.671
  159    HZ3  LYS  25           HZ3      LYS  25   5.900  15.487   2.364
  160    H    ALA  26           H        ALA  26   0.488   9.503   1.640
  161    HA   ALA  26           HA       ALA  26  -0.758  11.412  -0.079
  162    HB1  ALA  26           HB1      ALA  26   2.010  10.453  -0.753
  163    HB2  ALA  26           HB2      ALA  26   0.885  11.044  -1.977
  164    HB3  ALA  26           HB3      ALA  26   1.411  12.110  -0.676
  165    H    GLN  27           H        GLN  27  -1.190   8.758   1.156
  166    HA   GLN  27           HA       GLN  27  -2.152   6.759   0.654
  167    HB3  GLN  27           HB3      GLN  27  -3.586   6.664  -1.248
  168    HG3  GLN  27           HG3      GLN  27  -3.394   9.578  -0.525
  169   HE21  GLN  27          HE22      GLN  27  -6.305   9.047   0.171
  170   HE22  GLN  27          HE21      GLN  27  -7.123   9.189  -1.344
  171    H    ILE  28           H        ILE  28   0.291   6.213   0.692
  172    HA   ILE  28           HA       ILE  28   0.821   4.620  -1.702
  173    HB   ILE  28           HB       ILE  28   3.079   6.142  -0.438
  174   HG13  ILE  28          HG13      ILE  28   1.462   7.823  -1.179
  175   HG21  ILE  28          HG21      ILE  28   4.297   5.010  -1.905
  176   HG22  ILE  28          HG22      ILE  28   2.846   4.169  -2.447
  177   HG23  ILE  28          HG23      ILE  28   3.342   5.668  -3.234
  178   HD11  ILE  28          HD11      ILE  28   4.071   7.789  -1.965
  179   HD12  ILE  28          HD12      ILE  28   3.224   8.025  -3.493
  180   HD13  ILE  28          HD13      ILE  28   2.962   9.147  -2.158
  181    H    CYS  29           H        CYS  29   1.395   2.608  -1.201
  182    HA   CYS  29           HA       CYS  29   1.694   1.832   1.540
  183    HB3  CYS  29           HB3      CYS  29   2.394  -0.380   0.058
  184    H    VAL  30           H        VAL  30   3.497   1.180   2.625
  185    HA   VAL  30           HA       VAL  30   6.019   0.782   1.304
  186    HB   VAL  30           HB       VAL  30   6.970   2.638   3.003
  187   HG11  VAL  30          HG11      VAL  30   5.977   3.477   0.298
  188   HG12  VAL  30          HG12      VAL  30   7.470   3.935   1.121
  189   HG13  VAL  30          HG13      VAL  30   7.278   2.301   0.484
  190   HG21  VAL  30          HG21      VAL  30   4.707   3.327   3.693
  191   HG22  VAL  30          HG22      VAL  30   5.603   4.639   2.928
  192   HG23  VAL  30          HG23      VAL  30   4.353   3.781   2.026
  193    H    ASP  31           H        ASP  31   7.817   0.693   3.118
  194    HA   ASP  31           HA       ASP  31   7.183   0.105   5.763
  195    HB3  ASP  31           HB3      ASP  31   7.742  -2.555   5.011
  196    HA   PRO  32           HA       PRO  32  11.556  -0.006   6.074
  197    HB3  PRO  32           HB3      PRO  32  11.297   0.044   8.355
  198    HG3  PRO  32           HG3      PRO  32   9.585  -1.139   9.395
  199    HD3  PRO  32           HD3      PRO  32   8.378  -0.041   7.766
  200    H    LYS  33           H        LYS  33  10.917  -1.603   4.008
  201    HA   LYS  33           HA       LYS  33  12.836  -3.776   4.286
  202    HB3  LYS  33           HB3      LYS  33  10.810  -4.927   2.748
  203    HG3  LYS  33           HG3      LYS  33  11.479  -5.379   5.649
  204    HD3  LYS  33           HD3      LYS  33   9.231  -6.282   4.551
  205    HE3  LYS  33           HE3      LYS  33  10.926  -8.657   4.031
  206    HZ1  LYS  33           HZ1      LYS  33   8.268  -7.894   3.643
  207    HZ2  LYS  33           HZ2      LYS  33   8.991  -9.379   3.277
  208    HZ3  LYS  33           HZ3      LYS  33   8.944  -8.151   2.114
  209    H    LYS  34           H        LYS  34  10.569  -2.130   2.099
  210    HA   LYS  34           HA       LYS  34  12.645  -1.521   0.237
  211    HB3  LYS  34           HB3      LYS  34  10.589  -3.128  -1.134
  212    HG3  LYS  34           HG3      LYS  34  12.858  -4.153  -2.007
  213    HD3  LYS  34           HD3      LYS  34  12.441  -1.362  -2.920
  214    HE3  LYS  34           HE3      LYS  34  12.248  -2.570  -5.109
  215    HZ1  LYS  34           HZ1      LYS  34  14.684  -3.538  -4.811
  216    HZ2  LYS  34           HZ2      LYS  34  14.611  -2.598  -3.406
  217    HZ3  LYS  34           HZ3      LYS  34  14.375  -1.879  -4.918
  218    H    GLY  35           H        GLY  35  12.076   0.535  -0.098
  219    HA2  GLY  35           HA2      GLY  35   9.475   1.071  -1.298
  220    HA3  GLY  35           HA3      GLY  35   9.804   1.883   0.226
  221    H    TRP  36           H        TRP  36  11.423   3.479   0.318
  222    HA   TRP  36           HA       TRP  36  11.744   4.926  -2.146
  223    HB3  TRP  36           HB3      TRP  36  12.935   5.539   0.566
  224    HD1  TRP  36           HD1      TRP  36  11.804   7.194  -2.763
  225    HE1  TRP  36           HE1      TRP  36  13.222   9.314  -3.109
  226    HE3  TRP  36           HE3      TRP  36  14.503   7.083   1.577
  227    HZ2  TRP  36           HZ2      TRP  36  15.220  10.749  -1.725
  228    HZ3  TRP  36           HZ3      TRP  36  16.148   8.866   1.989
  229    HH2  TRP  36           HH2      TRP  36  16.498  10.659   0.370
  Start of MODEL    6
    1    H1   ASP   1           H1       ASP   1 -10.967  -8.659  -1.097
    2    HA   ASP   1           HA       ASP   1 -13.572  -8.497  -1.684
    3    HB3  ASP   1           HB3      ASP   1 -13.871  -5.904  -0.951
    4    H    PHE   2           H        PHE   2 -11.181  -5.867  -1.347
    5    HA   PHE   2           HA       PHE   2 -11.384  -5.431  -4.248
    6    HB3  PHE   2           HB3      PHE   2 -10.079  -3.242  -3.444
    7    HD1  PHE   2           HD2      PHE   2 -13.475  -4.559  -2.635
    8    HD2  PHE   2           HD1      PHE   2 -11.156  -1.497  -4.469
    9    HE1  PHE   2           HE2      PHE   2 -15.537  -3.489  -3.447
   10    HE2  PHE   2           HE1      PHE   2 -13.214  -0.422  -5.284
   11    HZ   PHE   2           HZ       PHE   2 -15.408  -1.419  -4.774
   12    HA   PRO   3           HA       PRO   3  -7.238  -6.654  -4.988
   13    HB3  PRO   3           HB3      PRO   3  -7.563  -6.090  -7.191
   14    HG3  PRO   3           HG3      PRO   3  -8.802  -4.212  -7.778
   15    HD3  PRO   3           HD3      PRO   3 -10.263  -5.205  -6.297
   16    H    LEU   4           H        LEU   4  -4.923  -5.740  -5.170
   17    HA   LEU   4           HA       LEU   4  -4.402  -3.316  -3.702
   18    HB3  LEU   4           HB3      LEU   4  -4.667  -4.537  -1.763
   19    HG   LEU   4           HG       LEU   4  -3.542  -6.797  -1.388
   20   HD11  LEU   4          HD11      LEU   4  -6.062  -6.160  -1.907
   21   HD12  LEU   4          HD12      LEU   4  -5.534  -7.835  -1.745
   22   HD13  LEU   4          HD13      LEU   4  -5.745  -7.128  -3.348
   23   HD21  LEU   4          HD21      LEU   4  -2.273  -6.605  -3.593
   24   HD22  LEU   4          HD22      LEU   4  -3.792  -7.051  -4.370
   25   HD23  LEU   4          HD23      LEU   4  -3.028  -8.157  -3.227
   26    H    SER   5           H        SER   5  -1.852  -3.395  -3.138
   27    HA   SER   5           HA       SER   5  -0.290  -4.765  -5.138
   28    HB3  SER   5           HB3      SER   5   0.638  -2.614  -6.076
   29    HG   SER   5           HG       SER   5  -1.193  -3.930  -6.998
   30    H    LYS   6           H        LYS   6   1.674  -5.177  -4.355
   31    HA   LYS   6           HA       LYS   6   2.410  -4.352  -1.748
   32    HB3  LYS   6           HB3      LYS   6   3.132  -6.497  -2.612
   33    HG3  LYS   6           HG3      LYS   6   5.316  -5.880  -4.257
   34    HD3  LYS   6           HD3      LYS   6   3.765  -7.037  -5.989
   35    HE3  LYS   6           HE3      LYS   6   4.219  -8.566  -3.444
   36    HZ1  LYS   6           HZ1      LYS   6   3.322  -9.441  -5.767
   37    HZ2  LYS   6           HZ2      LYS   6   4.306 -10.380  -4.761
   38    HZ3  LYS   6           HZ3      LYS   6   4.981  -9.556  -6.074
   39    H    GLU   7           H        GLU   7   4.225  -3.098  -1.091
   40    HA   GLU   7           HA       GLU   7   5.505  -1.218  -1.082
   41    HB3  GLU   7           HB3      GLU   7   6.131  -1.042  -3.896
   42    HG3  GLU   7           HG3      GLU   7   7.689  -1.804  -1.447
   43    H    TYR   8           H        TYR   8   5.925   0.842  -2.803
   44    HA   TYR   8           HA       TYR   8   3.714   2.459  -2.495
   45    HB3  TYR   8           HB3      TYR   8   5.927   3.357  -2.974
   46    HD1  TYR   8           HD1      TYR   8   7.584   1.646  -3.644
   47    HD2  TYR   8           HD2      TYR   8   4.958   3.437  -6.472
   48    HE1  TYR   8           HE1      TYR   8   9.020   0.849  -5.474
   49    HE2  TYR   8           HE2      TYR   8   6.387   2.642  -8.310
   50    HH   TYR   8           HH       TYR   8   9.221   1.939  -8.263
   51    H    GLU   9           H        GLU   9   1.797   2.595  -3.448
   52    HA   GLU   9           HA       GLU   9   1.353   2.284  -6.216
   53    HB3  GLU   9           HB3      GLU   9  -0.294   0.194  -5.486
   54    HG3  GLU   9           HG3      GLU   9   1.920  -1.121  -6.421
   55    H    THR  10           H        THR  10  -0.422   1.484  -3.224
   56    HA   THR  10           HA       THR  10  -1.955   3.822  -3.148
   57    HB   THR  10           HB       THR  10  -4.126   2.219  -3.770
   58    HG1  THR  10           HG1      THR  10  -2.263   0.948  -4.863
   59   HG21  THR  10          HG21      THR  10  -4.511   4.256  -4.619
   60   HG22  THR  10          HG22      THR  10  -3.672   3.690  -6.063
   61   HG23  THR  10          HG23      THR  10  -2.790   4.583  -4.824
   62    H    CYS  11           H        CYS  11  -2.274   3.913  -1.029
   63    HA   CYS  11           HA       CYS  11  -3.049   1.449   0.388
   64    HB3  CYS  11           HB3      CYS  11  -0.849   2.522   1.020
   65    H    VAL  12           H        VAL  12  -4.782   3.408  -1.022
   66    HA   VAL  12           HA       VAL  12  -6.120   5.165   0.622
   67    HB   VAL  12           HB       VAL  12  -6.496   4.599  -1.888
   68   HG11  VAL  12          HG11      VAL  12  -8.657   2.895  -0.658
   69   HG12  VAL  12          HG12      VAL  12  -8.370   3.178  -2.375
   70   HG13  VAL  12          HG13      VAL  12  -7.202   2.259  -1.424
   71   HG21  VAL  12          HG21      VAL  12  -9.141   5.179  -1.090
   72   HG22  VAL  12          HG22      VAL  12  -8.067   5.912   0.101
   73   HG23  VAL  12          HG23      VAL  12  -7.890   6.306  -1.610
   74    H    ARG  13           H        ARG  13  -8.107   5.010   1.801
   75    HA   ARG  13           HA       ARG  13  -8.186   3.080   3.759
   76    HB3  ARG  13           HB3      ARG  13 -10.854   3.868   3.431
   77    HG3  ARG  13           HG3      ARG  13  -9.615   5.856   4.964
   78    HD3  ARG  13           HD3      ARG  13 -11.702   4.449   5.371
   79    HE   ARG  13           HE       ARG  13 -11.251   2.241   5.716
   80   HH11  ARG  13          HH11      ARG  13  -8.835   4.139   7.353
   81   HH12  ARG  13          HH12      ARG  13  -8.089   2.773   8.112
   82   HH21  ARG  13          HH22      ARG  13 -10.277   0.434   6.709
   83   HH22  ARG  13          HH21      ARG  13  -8.909   0.666   7.745
   84    HA   PRO  14           HA       PRO  14 -11.621   0.660   1.392
   85    HB3  PRO  14           HB3      PRO  14 -13.011   2.111   0.277
   86    HG3  PRO  14           HG3      PRO  14 -12.190   4.066  -0.676
   87    HD3  PRO  14           HD3      PRO  14 -11.289   4.247   1.437
   88    H    ARG  15           H        ARG  15  -9.397  -0.435   1.521
   89    HA   ARG  15           HA       ARG  15  -9.009  -2.025  -0.733
   90    HB3  ARG  15           HB3      ARG  15  -6.525  -0.467  -0.544
   91    HG3  ARG  15           HG3      ARG  15  -8.093  -1.860  -2.604
   92    HD3  ARG  15           HD3      ARG  15  -6.433  -0.455  -4.208
   93    HE   ARG  15           HE       ARG  15  -9.253  -0.383  -3.784
   94   HH11  ARG  15          HH11      ARG  15  -6.629   1.143  -5.488
   95   HH12  ARG  15          HH12      ARG  15  -7.630   1.716  -6.781
   96   HH21  ARG  15          HH22      ARG  15 -10.581   0.366  -5.480
   97   HH22  ARG  15          HH21      ARG  15  -9.878   1.274  -6.776
   98    H    LYS  16           H        LYS  16  -6.726  -0.484   1.537
   99    HA   LYS  16           HA       LYS  16  -5.373  -1.342   3.152
  100    HB3  LYS  16           HB3      LYS  16  -6.570  -3.838   3.761
  101    HG3  LYS  16           HG3      LYS  16  -7.568  -2.506   5.693
  102    HD3  LYS  16           HD3      LYS  16  -4.694  -2.866   5.040
  103    HE3  LYS  16           HE3      LYS  16  -5.640  -1.433   7.522
  104    HZ1  LYS  16           HZ1      LYS  16  -3.382  -1.367   8.146
  105    HZ2  LYS  16           HZ2      LYS  16  -2.858  -1.972   6.657
  106    HZ3  LYS  16           HZ3      LYS  16  -3.694  -2.977   7.730
  107    H    CYS  17           H        CYS  17  -3.490  -1.844   2.179
  108    HA   CYS  17           HA       CYS  17  -2.994  -3.731   0.240
  109    HB3  CYS  17           HB3      CYS  17  -0.621  -3.775   1.294
  110    H    GLN  18           H        GLN  18  -2.820  -5.886   0.158
  111    HA   GLN  18           HA       GLN  18  -3.789  -7.563   2.115
  112    HB3  GLN  18           HB3      GLN  18  -2.055  -9.210   0.792
  113    HG3  GLN  18           HG3      GLN  18  -3.925  -9.294  -1.014
  114   HE21  GLN  18          HE22      GLN  18  -5.198 -11.066  -0.776
  115   HE22  GLN  18          HE21      GLN  18  -5.335 -11.962   0.695
  116    HA   PRO  19           HA       PRO  19   0.706  -8.590   3.542
  117    HB3  PRO  19           HB3      PRO  19   2.161  -8.514   1.766
  118    HG3  PRO  19           HG3      PRO  19   1.873  -6.978   0.044
  119    HD3  PRO  19           HD3      PRO  19  -0.254  -7.859   0.149
  120    HA   PRO  20           HA       PRO  20   1.047  -5.555   6.706
  121    HB3  PRO  20           HB3      PRO  20   2.368  -7.026   7.876
  122    HG3  PRO  20           HG3      PRO  20   3.946  -8.346   6.790
  123    HD3  PRO  20           HD3      PRO  20   2.100  -8.772   5.476
  124    H    LEU  21           H        LEU  21   0.833  -3.862   4.957
  125    HA   LEU  21           HA       LEU  21   3.331  -2.347   4.607
  126    HB3  LEU  21           HB3      LEU  21   1.743  -1.102   2.911
  127    HG   LEU  21           HG       LEU  21   2.217  -2.832   1.107
  128   HD11  LEU  21          HD11      LEU  21   4.134  -1.283   2.721
  129   HD12  LEU  21          HD12      LEU  21   3.791  -1.224   0.992
  130   HD13  LEU  21          HD13      LEU  21   4.830  -2.492   1.642
  131   HD21  LEU  21          HD21      LEU  21   2.305  -4.739   2.742
  132   HD22  LEU  21          HD22      LEU  21   3.863  -4.110   3.280
  133   HD23  LEU  21          HD23      LEU  21   3.659  -4.651   1.614
  134    H    LYS  22           H        LYS  22   2.647   0.135   4.221
  135    HA   LYS  22           HA       LYS  22   0.598   1.090   5.989
  136    HB3  LYS  22           HB3      LYS  22   3.183   2.173   6.868
  137    HG3  LYS  22           HG3      LYS  22   0.617   1.345   8.103
  138    HD3  LYS  22           HD3      LYS  22   2.955   0.483   9.271
  139    HE3  LYS  22           HE3      LYS  22   2.737   2.120  11.375
  140    HZ1  LYS  22           HZ1      LYS  22   4.472   3.091   9.224
  141    HZ2  LYS  22           HZ2      LYS  22   4.713   1.517   9.794
  142    HZ3  LYS  22           HZ3      LYS  22   4.825   2.829  10.857
  143    H    CYS  23           H        CYS  23   0.218   3.318   5.778
  144    HA   CYS  23           HA       CYS  23   1.002   4.426   3.274
  145    HB3  CYS  23           HB3      CYS  23  -0.268   6.444   4.093
  146    H    ASN  24           H        ASN  24   1.505   7.010   3.514
  147    HA   ASN  24           HA       ASN  24   3.854   7.250   5.268
  148    HB3  ASN  24           HB3      ASN  24   4.869   6.854   3.190
  149   HD21  ASN  24          HD22      ASN  24   4.125   9.712   1.668
  150   HD22  ASN  24          HD21      ASN  24   3.109   9.094   0.414
  151    H    LYS  25           H        LYS  25   1.823   9.153   3.035
  152    HA   LYS  25           HA       LYS  25   0.795  10.893   4.947
  153    HB3  LYS  25           HB3      LYS  25   2.701  12.586   3.516
  154    HG3  LYS  25           HG3      LYS  25   1.564  12.357   6.223
  155    HD3  LYS  25           HD3      LYS  25   4.377  13.202   5.691
  156    HE3  LYS  25           HE3      LYS  25   2.458  14.508   7.600
  157    HZ1  LYS  25           HZ1      LYS  25   5.417  14.681   7.727
  158    HZ2  LYS  25           HZ2      LYS  25   4.482  13.751   8.786
  159    HZ3  LYS  25           HZ3      LYS  25   4.305  15.432   8.756
  160    H    ALA  26           H        ALA  26   0.035   9.528   2.545
  161    HA   ALA  26           HA       ALA  26  -1.423  11.636   1.277
  162    HB1  ALA  26           HB1      ALA  26   0.829  10.322  -0.219
  163    HB2  ALA  26           HB2      ALA  26  -0.534  11.086  -1.037
  164    HB3  ALA  26           HB3      ALA  26   0.518  12.043   0.007
  165    H    GLN  27           H        GLN  27  -0.262   8.570  -0.085
  166    HA   GLN  27           HA       GLN  27  -2.431   6.971   0.647
  167    HB3  GLN  27           HB3      GLN  27  -3.123   7.159  -2.067
  168    HG3  GLN  27           HG3      GLN  27  -4.718   8.569   0.017
  169   HE21  GLN  27          HE22      GLN  27  -6.594   9.086  -0.827
  170   HE22  GLN  27          HE21      GLN  27  -7.352   8.325  -2.181
  171    H    ILE  28           H        ILE  28   0.405   6.818   0.252
  172    HA   ILE  28           HA       ILE  28   0.554   4.756  -1.849
  173    HB   ILE  28           HB       ILE  28   2.923   6.229  -0.717
  174   HG13  ILE  28          HG13      ILE  28   2.854   7.648  -2.736
  175   HG21  ILE  28          HG21      ILE  28   3.697   4.322  -1.774
  176   HG22  ILE  28          HG22      ILE  28   2.445   4.377  -3.015
  177   HG23  ILE  28          HG23      ILE  28   3.783   5.525  -3.060
  178   HD11  ILE  28          HD11      ILE  28   0.161   7.515  -3.481
  179   HD12  ILE  28          HD12      ILE  28   1.576   7.138  -4.463
  180   HD13  ILE  28          HD13      ILE  28   0.773   5.862  -3.547
  181    H    CYS  29           H        CYS  29   1.087   2.736  -1.280
  182    HA   CYS  29           HA       CYS  29   1.309   2.077   1.502
  183    HB3  CYS  29           HB3      CYS  29   1.940  -0.192  -0.056
  184    H    VAL  30           H        VAL  30   3.074   1.497   2.651
  185    HA   VAL  30           HA       VAL  30   5.539   0.695   1.478
  186    HB   VAL  30           HB       VAL  30   6.624   2.844   2.742
  187   HG11  VAL  30          HG11      VAL  30   6.281   1.907   0.052
  188   HG12  VAL  30          HG12      VAL  30   6.273   3.672   0.084
  189   HG13  VAL  30          HG13      VAL  30   7.635   2.782   0.765
  190   HG21  VAL  30          HG21      VAL  30   4.311   3.793   3.004
  191   HG22  VAL  30          HG22      VAL  30   5.460   4.841   2.173
  192   HG23  VAL  30          HG23      VAL  30   4.252   3.949   1.249
  193    H    ASP  31           H        ASP  31   7.358   0.973   3.301
  194    HA   ASP  31           HA       ASP  31   6.596   0.982   6.002
  195    HB3  ASP  31           HB3      ASP  31   5.449  -1.018   5.886
  196    HA   PRO  32           HA       PRO  32  10.946   1.104   6.538
  197    HB3  PRO  32           HB3      PRO  32  10.561   1.601   8.749
  198    HG3  PRO  32           HG3      PRO  32   8.831   0.586   9.922
  199    HD3  PRO  32           HD3      PRO  32   7.682   1.287   8.050
  200    H    LYS  33           H        LYS  33   9.316  -1.945   6.676
  201    HA   LYS  33           HA       LYS  33  11.508  -3.671   7.005
  202    HB3  LYS  33           HB3      LYS  33   9.824  -5.122   5.432
  203    HG3  LYS  33           HG3      LYS  33   9.346  -4.502   8.341
  204    HD3  LYS  33           HD3      LYS  33   7.538  -5.732   6.982
  205    HE3  LYS  33           HE3      LYS  33   9.502  -7.181   5.954
  206    HZ1  LYS  33           HZ1      LYS  33  10.337  -8.219   7.862
  207    HZ2  LYS  33           HZ2      LYS  33   9.385  -9.403   7.119
  208    HZ3  LYS  33           HZ3      LYS  33   8.798  -8.571   8.469
  209    H    LYS  34           H        LYS  34   9.973  -2.404   4.062
  210    HA   LYS  34           HA       LYS  34  12.380  -2.249   2.620
  211    HB3  LYS  34           HB3      LYS  34  10.672  -4.676   2.066
  212    HG3  LYS  34           HG3      LYS  34  12.689  -3.316   0.334
  213    HD3  LYS  34           HD3      LYS  34  11.993  -6.168  -0.164
  214    HE3  LYS  34           HE3      LYS  34  13.363  -4.429  -1.618
  215    HZ1  LYS  34           HZ1      LYS  34  15.054  -4.771   0.557
  216    HZ2  LYS  34           HZ2      LYS  34  15.390  -3.973  -0.896
  217    HZ3  LYS  34           HZ3      LYS  34  15.758  -5.615  -0.730
  218    H    GLY  35           H        GLY  35  11.441  -0.219   2.185
  219    HA2  GLY  35           HA2      GLY  35   9.338  -0.326   0.114
  220    HA3  GLY  35           HA3      GLY  35   9.294   0.872   1.399
  221    H    TRP  36           H        TRP  36   9.170   2.148  -0.748
  222    HA   TRP  36           HA       TRP  36  11.864   2.700  -1.775
  223    HB3  TRP  36           HB3      TRP  36   9.399   3.934  -2.938
  224    HD1  TRP  36           HD1      TRP  36  11.956   1.653  -4.677
  225    HE1  TRP  36           HE1      TRP  36  13.265   3.058  -6.391
  226    HE3  TRP  36           HE3      TRP  36  10.112   6.278  -3.512
  227    HZ2  TRP  36           HZ2      TRP  36  13.487   5.768  -7.149
  228    HZ3  TRP  36           HZ3      TRP  36  10.926   8.224  -4.778
  229    HH2  TRP  36           HH2      TRP  36  12.578   7.974  -6.558
  Start of MODEL    7
    1    H1   ASP   1           H1       ASP   1 -10.576  -3.753  -6.709
    2    HA   ASP   1           HA       ASP   1 -12.184  -2.380  -8.150
    3    HB3  ASP   1           HB3      ASP   1 -13.124  -0.460  -6.700
    4    H    PHE   2           H        PHE   2 -10.434  -1.236  -5.260
    5    HA   PHE   2           HA       PHE   2  -9.093   0.790  -6.862
    6    HB3  PHE   2           HB3      PHE   2  -8.000   1.168  -4.469
    7    HD1  PHE   2           HD2      PHE   2 -11.702   1.099  -4.604
    8    HD2  PHE   2           HD1      PHE   2  -8.167   3.439  -4.981
    9    HE1  PHE   2           HE2      PHE   2 -13.068   3.143  -4.701
   10    HE2  PHE   2           HE1      PHE   2  -9.528   5.486  -5.079
   11    HZ   PHE   2           HZ       PHE   2 -11.983   5.340  -4.941
   12    HA   PRO   3           HA       PRO   3  -5.276  -1.300  -7.410
   13    HB3  PRO   3           HB3      PRO   3  -4.492   0.598  -8.441
   14    HG3  PRO   3           HG3      PRO   3  -5.056   2.712  -7.650
   15    HD3  PRO   3           HD3      PRO   3  -7.150   1.755  -7.757
   16    H    LEU   4           H        LEU   4  -4.771  -2.804  -5.919
   17    HA   LEU   4           HA       LEU   4  -4.040  -1.989  -3.215
   18    HB3  LEU   4           HB3      LEU   4  -4.649  -4.627  -4.508
   19    HG   LEU   4           HG       LEU   4  -2.966  -4.322  -2.204
   20   HD11  LEU   4          HD11      LEU   4  -5.765  -4.997  -1.668
   21   HD12  LEU   4          HD12      LEU   4  -4.492  -4.465  -0.571
   22   HD13  LEU   4          HD13      LEU   4  -4.598  -6.161  -1.041
   23   HD21  LEU   4          HD21      LEU   4  -2.302  -6.332  -2.900
   24   HD22  LEU   4          HD22      LEU   4  -3.422  -6.126  -4.246
   25   HD23  LEU   4          HD23      LEU   4  -3.934  -6.994  -2.798
   26    H    SER   5           H        SER   5  -2.710  -4.608  -5.204
   27    HA   SER   5           HA       SER   5  -0.565  -5.335  -5.479
   28    HB3  SER   5           HB3      SER   5   0.536  -2.593  -5.605
   29    HG   SER   5           HG       SER   5   0.381  -4.326  -7.781
   30    H    LYS   6           H        LYS   6   1.900  -4.350  -4.810
   31    HA   LYS   6           HA       LYS   6   1.765  -4.138  -1.874
   32    HB3  LYS   6           HB3      LYS   6   2.569  -6.313  -2.292
   33    HG3  LYS   6           HG3      LYS   6   4.337  -5.112  -4.409
   34    HD3  LYS   6           HD3      LYS   6   4.641  -7.847  -4.509
   35    HE3  LYS   6           HE3      LYS   6   6.484  -5.963  -3.052
   36    HZ1  LYS   6           HZ1      LYS   6   6.779  -8.567  -4.347
   37    HZ2  LYS   6           HZ2      LYS   6   7.546  -7.952  -2.970
   38    HZ3  LYS   6           HZ3      LYS   6   8.053  -7.466  -4.509
   39    H    GLU   7           H        GLU   7   3.868  -3.287  -0.929
   40    HA   GLU   7           HA       GLU   7   5.207  -1.465  -0.645
   41    HB3  GLU   7           HB3      GLU   7   6.117  -1.295  -3.412
   42    HG3  GLU   7           HG3      GLU   7   7.455  -2.082  -0.837
   43    H    TYR   8           H        TYR   8   6.006   0.596  -2.289
   44    HA   TYR   8           HA       TYR   8   4.001   2.448  -2.078
   45    HB3  TYR   8           HB3      TYR   8   6.318   3.073  -2.499
   46    HD1  TYR   8           HD1      TYR   8   7.677   1.064  -3.154
   47    HD2  TYR   8           HD2      TYR   8   5.544   3.393  -6.006
   48    HE1  TYR   8           HE1      TYR   8   9.049   0.105  -4.955
   49    HE2  TYR   8           HE2      TYR   8   6.909   2.439  -7.815
   50    HH   TYR   8           HH       TYR   8   8.589   1.089  -8.339
   51    H    GLU   9           H        GLU   9   2.071   2.606  -2.987
   52    HA   GLU   9           HA       GLU   9   1.678   2.420  -5.801
   53    HB3  GLU   9           HB3      GLU   9   0.570   0.202  -4.075
   54    HG3  GLU   9           HG3      GLU   9  -1.192   0.628  -5.538
   55    H    THR  10           H        THR  10  -0.521   1.534  -3.159
   56    HA   THR  10           HA       THR  10  -1.671   4.051  -2.759
   57    HB   THR  10           HB       THR  10  -3.927   3.034  -4.004
   58    HG1  THR  10           HG1      THR  10  -2.926   1.601  -5.316
   59   HG21  THR  10          HG21      THR  10  -3.933   5.041  -5.067
   60   HG22  THR  10          HG22      THR  10  -2.249   4.902  -5.572
   61   HG23  THR  10          HG23      THR  10  -2.638   5.385  -3.921
   62    H    CYS  11           H        CYS  11  -2.494   3.854  -0.791
   63    HA   CYS  11           HA       CYS  11  -3.873   1.349  -0.084
   64    HB3  CYS  11           HB3      CYS  11  -1.828   1.328   1.130
   65    H    VAL  12           H        VAL  12  -5.884   2.279  -0.640
   66    HA   VAL  12           HA       VAL  12  -6.766   4.695   0.677
   67    HB   VAL  12           HB       VAL  12  -8.692   2.876  -0.687
   68   HG11  VAL  12          HG11      VAL  12  -8.603   5.575   0.185
   69   HG12  VAL  12          HG12      VAL  12  -8.771   5.572  -1.571
   70   HG13  VAL  12          HG13      VAL  12  -9.939   4.707  -0.571
   71   HG21  VAL  12          HG21      VAL  12  -7.884   4.151  -2.843
   72   HG22  VAL  12          HG22      VAL  12  -6.347   4.183  -1.976
   73   HG23  VAL  12          HG23      VAL  12  -7.122   2.641  -2.342
   74    H    ARG  13           H        ARG  13  -8.891   4.683   1.854
   75    HA   ARG  13           HA       ARG  13  -8.749   3.281   4.213
   76    HB3  ARG  13           HB3      ARG  13 -11.509   3.717   3.659
   77    HG3  ARG  13           HG3      ARG  13 -10.173   5.933   4.969
   78    HD3  ARG  13           HD3      ARG  13 -12.581   5.147   5.161
   79    HE   ARG  13           HE       ARG  13 -12.711   2.952   5.813
   80   HH11  ARG  13          HH11      ARG  13 -10.444   4.632   7.852
   81   HH12  ARG  13          HH12      ARG  13 -10.274   3.319   8.968
   82   HH21  ARG  13          HH22      ARG  13 -12.496   1.215   7.275
   83   HH22  ARG  13          HH21      ARG  13 -11.442   1.375   8.639
   84    HA   PRO  14           HA       PRO  14 -11.920   0.032   2.569
   85    HB3  PRO  14           HB3      PRO  14 -13.414   1.012   1.125
   86    HG3  PRO  14           HG3      PRO  14 -12.756   2.731  -0.297
   87    HD3  PRO  14           HD3      PRO  14 -11.923   3.527   1.700
   88    H    ARG  15           H        ARG  15  -9.702   0.910  -0.087
   89    HA   ARG  15           HA       ARG  15  -9.094  -1.620  -0.998
   90    HB3  ARG  15           HB3      ARG  15  -7.261   0.777  -0.810
   91    HG3  ARG  15           HG3      ARG  15  -6.068  -1.359  -1.314
   92    HD3  ARG  15           HD3      ARG  15  -6.426  -2.072  -3.768
   93    HE   ARG  15           HE       ARG  15  -7.365  -3.218  -1.518
   94   HH11  ARG  15          HH11      ARG  15  -8.725  -2.787  -4.694
   95   HH12  ARG  15          HH12      ARG  15  -9.680  -4.230  -4.624
   96   HH21  ARG  15          HH22      ARG  15  -8.618  -5.121  -1.414
   97   HH22  ARG  15          HH21      ARG  15  -9.619  -5.557  -2.757
   98    H    LYS  16           H        LYS  16  -6.708   0.179   0.916
   99    HA   LYS  16           HA       LYS  16  -5.264  -0.459   2.554
  100    HB3  LYS  16           HB3      LYS  16  -6.839  -2.892   3.229
  101    HG3  LYS  16           HG3      LYS  16  -5.747  -0.616   4.870
  102    HD3  LYS  16           HD3      LYS  16  -7.889  -1.935   5.635
  103    HE3  LYS  16           HE3      LYS  16  -6.312  -3.762   7.138
  104    HZ1  LYS  16           HZ1      LYS  16  -8.614  -4.116   6.765
  105    HZ2  LYS  16           HZ2      LYS  16  -7.795  -5.387   6.004
  106    HZ3  LYS  16           HZ3      LYS  16  -8.421  -4.114   5.084
  107    H    CYS  17           H        CYS  17  -3.358  -1.224   1.944
  108    HA   CYS  17           HA       CYS  17  -2.828  -3.086   0.008
  109    HB3  CYS  17           HB3      CYS  17  -0.631  -3.436   1.453
  110    H    GLN  18           H        GLN  18  -2.443  -5.276  -0.082
  111    HA   GLN  18           HA       GLN  18  -3.877  -6.900   1.753
  112    HB3  GLN  18           HB3      GLN  18  -2.078  -8.476   0.189
  113    HG3  GLN  18           HG3      GLN  18  -4.559  -8.391  -1.104
  114   HE21  GLN  18          HE22      GLN  18  -5.655 -10.175   1.139
  115   HE22  GLN  18          HE21      GLN  18  -4.799 -11.660   0.921
  116    HA   PRO  19           HA       PRO  19   0.471  -8.514   3.095
  117    HB3  PRO  19           HB3      PRO  19   1.930  -8.495   1.320
  118    HG3  PRO  19           HG3      PRO  19   1.818  -6.836  -0.306
  119    HD3  PRO  19           HD3      PRO  19  -0.393  -7.481  -0.245
  120    HA   PRO  20           HA       PRO  20   1.129  -5.729   6.433
  121    HB3  PRO  20           HB3      PRO  20   2.257  -7.412   7.517
  122    HG3  PRO  20           HG3      PRO  20   3.678  -8.843   6.358
  123    HD3  PRO  20           HD3      PRO  20   1.807  -8.971   5.018
  124    H    LEU  21           H        LEU  21   1.113  -3.874   4.903
  125    HA   LEU  21           HA       LEU  21   3.779  -2.637   4.677
  126    HB3  LEU  21           HB3      LEU  21   2.464  -1.190   2.926
  127    HG   LEU  21           HG       LEU  21   2.878  -2.843   1.082
  128   HD11  LEU  21          HD11      LEU  21   5.373  -2.903   1.506
  129   HD12  LEU  21          HD12      LEU  21   5.031  -2.149   3.062
  130   HD13  LEU  21          HD13      LEU  21   4.607  -1.316   1.567
  131   HD21  LEU  21          HD21      LEU  21   4.158  -4.567   3.172
  132   HD22  LEU  21          HD22      LEU  21   3.768  -4.952   1.496
  133   HD23  LEU  21          HD23      LEU  21   2.479  -4.812   2.692
  134    H    LYS  22           H        LYS  22   3.363  -0.091   4.357
  135    HA   LYS  22           HA       LYS  22   1.404   0.847   6.317
  136    HB3  LYS  22           HB3      LYS  22   3.318   2.384   7.193
  137    HG3  LYS  22           HG3      LYS  22   3.346  -0.540   7.917
  138    HD3  LYS  22           HD3      LYS  22   4.727   1.815   8.962
  139    HE3  LYS  22           HE3      LYS  22   2.854   0.259  10.675
  140    HZ1  LYS  22           HZ1      LYS  22   5.520   1.223  11.556
  141    HZ2  LYS  22           HZ2      LYS  22   4.941  -0.365  11.617
  142    HZ3  LYS  22           HZ3      LYS  22   4.259   0.821  12.610
  143    H    CYS  23           H        CYS  23   0.771   2.999   6.055
  144    HA   CYS  23           HA       CYS  23   1.321   4.082   3.407
  145    HB3  CYS  23           HB3      CYS  23  -0.566   5.591   3.867
  146    H    ASN  24           H        ASN  24   0.991   6.731   3.653
  147    HA   ASN  24           HA       ASN  24   2.884   7.689   5.668
  148    HB3  ASN  24           HB3      ASN  24   4.541   7.879   4.174
  149   HD21  ASN  24          HD22      ASN  24   5.279   6.397   2.856
  150   HD22  ASN  24          HD21      ASN  24   4.471   5.768   1.464
  151    H    LYS  25           H        LYS  25   1.500   9.149   2.738
  152    HA   LYS  25           HA       LYS  25  -0.487  10.623   4.164
  153    HB3  LYS  25           HB3      LYS  25   1.430  11.933   4.869
  154    HG3  LYS  25           HG3      LYS  25   2.043  12.831   2.109
  155    HD3  LYS  25           HD3      LYS  25   3.544  12.546   4.704
  156    HE3  LYS  25           HE3      LYS  25   4.552  13.126   1.937
  157    HZ1  LYS  25           HZ1      LYS  25   5.797  13.945   4.505
  158    HZ2  LYS  25           HZ2      LYS  25   5.300  14.965   3.250
  159    HZ3  LYS  25           HZ3      LYS  25   6.604  13.913   3.018
  160    H    ALA  26           H        ALA  26   1.484  10.294   1.261
  161    HA   ALA  26           HA       ALA  26  -0.611  11.450  -0.398
  162    HB1  ALA  26           HB1      ALA  26   1.188  10.642  -2.196
  163    HB2  ALA  26           HB2      ALA  26   1.342  12.157  -1.307
  164    HB3  ALA  26           HB3      ALA  26   2.234  10.730  -0.779
  165    H    GLN  27           H        GLN  27  -0.743   8.772   1.081
  166    HA   GLN  27           HA       GLN  27  -1.762   6.766   0.740
  167    HB3  GLN  27           HB3      GLN  27  -3.217   6.486  -1.111
  168    HG3  GLN  27           HG3      GLN  27  -3.265   8.882   0.300
  169   HE21  GLN  27          HE22      GLN  27  -4.847   8.783  -2.828
  170   HE22  GLN  27          HE21      GLN  27  -4.317  10.341  -3.357
  171    H    ILE  28           H        ILE  28   0.764   6.405   0.767
  172    HA   ILE  28           HA       ILE  28   1.348   4.672  -1.536
  173    HB   ILE  28           HB       ILE  28   3.533   6.200  -0.156
  174   HG13  ILE  28          HG13      ILE  28   3.443   7.876  -1.929
  175   HG21  ILE  28          HG21      ILE  28   4.285   5.817  -2.732
  176   HG22  ILE  28          HG22      ILE  28   4.659   4.715  -1.408
  177   HG23  ILE  28          HG23      ILE  28   3.276   4.397  -2.456
  178   HD11  ILE  28          HD11      ILE  28   1.417   6.096  -3.060
  179   HD12  ILE  28          HD12      ILE  28   0.985   7.805  -3.061
  180   HD13  ILE  28          HD13      ILE  28   2.471   7.270  -3.846
  181    H    CYS  29           H        CYS  29   1.844   2.657  -0.975
  182    HA   CYS  29           HA       CYS  29   2.050   1.940   1.801
  183    HB3  CYS  29           HB3      CYS  29   2.678  -0.325   0.318
  184    H    VAL  30           H        VAL  30   3.807   1.080   2.878
  185    HA   VAL  30           HA       VAL  30   6.306   0.548   1.617
  186    HB   VAL  30           HB       VAL  30   7.349   2.452   3.221
  187   HG11  VAL  30          HG11      VAL  30   7.024   2.003   0.437
  188   HG12  VAL  30          HG12      VAL  30   6.822   3.730   0.742
  189   HG13  VAL  30          HG13      VAL  30   8.292   2.907   1.265
  190   HG21  VAL  30          HG21      VAL  30   6.117   4.513   3.006
  191   HG22  VAL  30          HG22      VAL  30   4.856   3.703   2.075
  192   HG23  VAL  30          HG23      VAL  30   5.088   3.306   3.777
  193    H    ASP  31           H        ASP  31   8.094   0.451   3.435
  194    HA   ASP  31           HA       ASP  31   7.432   0.074   6.111
  195    HB3  ASP  31           HB3      ASP  31   7.805  -2.658   5.544
  196    HA   PRO  32           HA       PRO  32  11.787  -0.320   6.435
  197    HB3  PRO  32           HB3      PRO  32  11.539  -0.129   8.711
  198    HG3  PRO  32           HG3      PRO  32   9.754  -1.136   9.811
  199    HD3  PRO  32           HD3      PRO  32   8.618  -0.050   8.125
  200    H    LYS  33           H        LYS  33   9.971  -3.341   6.695
  201    HA   LYS  33           HA       LYS  33  12.247  -4.997   6.119
  202    HB3  LYS  33           HB3      LYS  33   9.740  -6.313   5.604
  203    HG3  LYS  33           HG3      LYS  33  11.769  -6.519   7.813
  204    HD3  LYS  33           HD3      LYS  33   9.521  -8.445   7.259
  205    HE3  LYS  33           HE3      LYS  33  11.657  -9.235   8.353
  206    HZ1  LYS  33           HZ1      LYS  33  11.117  -7.014  10.017
  207    HZ2  LYS  33           HZ2      LYS  33  12.467  -8.033  10.009
  208    HZ3  LYS  33           HZ3      LYS  33  11.114  -8.430  10.941
  209    H    LYS  34           H        LYS  34   9.689  -3.478   4.296
  210    HA   LYS  34           HA       LYS  34  11.063  -4.074   1.826
  211    HB3  LYS  34           HB3      LYS  34   8.268  -5.101   2.343
  212    HG3  LYS  34           HG3      LYS  34   9.652  -4.500  -0.185
  213    HD3  LYS  34           HD3      LYS  34   7.967  -6.567  -0.905
  214    HE3  LYS  34           HE3      LYS  34  10.819  -5.977  -0.951
  215    HZ1  LYS  34           HZ1      LYS  34  10.300  -8.769  -1.578
  216    HZ2  LYS  34           HZ2      LYS  34  10.426  -8.390   0.065
  217    HZ3  LYS  34           HZ3      LYS  34  11.704  -8.035  -0.985
  218    H    GLY  35           H        GLY  35  11.296  -1.899   1.470
  219    HA2  GLY  35           HA2      GLY  35   8.894  -0.514   0.580
  220    HA3  GLY  35           HA3      GLY  35   9.758   0.233   1.915
  221    H    TRP  36           H        TRP  36  11.547   1.428   1.511
  222    HA   TRP  36           HA       TRP  36  12.296   1.723  -1.316
  223    HB3  TRP  36           HB3      TRP  36  13.067   3.695   0.805
  224    HD1  TRP  36           HD1      TRP  36  11.122   4.249  -2.474
  225    HE1  TRP  36           HE1      TRP  36  12.568   5.697  -4.035
  226    HE3  TRP  36           HE3      TRP  36  15.400   4.428   0.318
  227    HZ2  TRP  36           HZ2      TRP  36  15.178   6.773  -4.077
  228    HZ3  TRP  36           HZ3      TRP  36  17.326   5.687  -0.553
  229    HH2  TRP  36           HH2      TRP  36  17.215   6.834  -2.706
  Start of MODEL    8
    1    H1   ASP   1           H1       ASP   1 -13.569  -4.943  -4.666
    2    HA   ASP   1           HA       ASP   1 -15.233  -4.727  -2.510
    3    HB3  ASP   1           HB3      ASP   1 -14.137  -7.532  -2.489
    4    H    PHE   2           H        PHE   2 -13.586  -3.183  -2.167
    5    HA   PHE   2           HA       PHE   2 -11.652  -2.347  -1.302
    6    HB3  PHE   2           HB3      PHE   2 -10.816  -3.428   0.694
    7    HD1  PHE   2           HD2      PHE   2 -12.841  -1.438   0.337
    8    HD2  PHE   2           HD1      PHE   2 -13.234  -5.432   1.758
    9    HE1  PHE   2           HE2      PHE   2 -14.860  -0.792   1.586
   10    HE2  PHE   2           HE1      PHE   2 -15.254  -4.791   3.009
   11    HZ   PHE   2           HZ       PHE   2 -16.069  -2.469   2.925
   12    HA   PRO   3           HA       PRO   3  -9.062  -4.912  -4.180
   13    HB3  PRO   3           HB3      PRO   3  -9.788  -3.728  -6.009
   14    HG3  PRO   3           HG3      PRO   3 -10.657  -1.582  -5.782
   15    HD3  PRO   3           HD3      PRO   3 -11.889  -2.682  -4.174
   16    H    LEU   4           H        LEU   4  -7.495  -5.302  -2.614
   17    HA   LEU   4           HA       LEU   4  -5.930  -3.410  -1.304
   18    HB3  LEU   4           HB3      LEU   4  -6.163  -5.976  -0.975
   19    HG   LEU   4           HG       LEU   4  -3.545  -6.009  -2.459
   20   HD11  LEU   4          HD11      LEU   4  -3.253  -7.869  -1.287
   21   HD12  LEU   4          HD12      LEU   4  -4.630  -8.564  -2.140
   22   HD13  LEU   4          HD13      LEU   4  -4.871  -7.750  -0.594
   23   HD21  LEU   4          HD21      LEU   4  -4.966  -5.885  -4.259
   24   HD22  LEU   4          HD22      LEU   4  -6.307  -6.634  -3.393
   25   HD23  LEU   4          HD23      LEU   4  -4.962  -7.624  -3.960
   26    H    SER   5           H        SER   5  -3.377  -3.543  -1.625
   27    HA   SER   5           HA       SER   5  -2.498  -3.550  -4.356
   28    HB3  SER   5           HB3      SER   5  -1.770  -1.106  -4.256
   29    HG   SER   5           HG       SER   5  -3.446  -0.843  -5.478
   30    H    LYS   6           H        LYS   6  -0.381  -3.993  -4.442
   31    HA   LYS   6           HA       LYS   6   1.076  -4.555  -2.097
   32    HB3  LYS   6           HB3      LYS   6   3.011  -4.848  -3.652
   33    HG3  LYS   6           HG3      LYS   6   1.196  -6.245  -5.322
   34    HD3  LYS   6           HD3      LYS   6   2.031  -8.193  -3.965
   35    HE3  LYS   6           HE3      LYS   6   4.260  -6.345  -4.780
   36    HZ1  LYS   6           HZ1      LYS   6   4.428  -8.828  -3.888
   37    HZ2  LYS   6           HZ2      LYS   6   5.482  -8.204  -5.056
   38    HZ3  LYS   6           HZ3      LYS   6   4.166  -9.156  -5.526
   39    H    GLU   7           H        GLU   7   3.572  -3.632  -2.266
   40    HA   GLU   7           HA       GLU   7   3.549  -1.178  -1.032
   41    HB3  GLU   7           HB3      GLU   7   5.782  -2.319  -2.721
   42    HG3  GLU   7           HG3      GLU   7   5.655  -0.034  -0.866
   43    H    TYR   8           H        TYR   8   4.029   0.946  -1.675
   44    HA   TYR   8           HA       TYR   8   3.920   2.795  -2.994
   45    HB3  TYR   8           HB3      TYR   8   4.844   2.704  -5.210
   46    HD1  TYR   8           HD2      TYR   8   6.103   3.071  -2.622
   47    HD2  TYR   8           HD1      TYR   8   6.666  -0.037  -5.473
   48    HE1  TYR   8           HE2      TYR   8   8.370   2.687  -1.749
   49    HE2  TYR   8           HE1      TYR   8   8.934  -0.429  -4.607
   50    HH   TYR   8           HH       TYR   8  10.469   0.172  -3.127
   51    H    GLU   9           H        GLU   9   3.009   3.229  -5.561
   52    HA   GLU   9           HA       GLU   9   1.134   3.406  -6.845
   53    HB3  GLU   9           HB3      GLU   9  -0.566   1.355  -5.850
   54    HG3  GLU   9           HG3      GLU   9   1.248   1.361  -8.252
   55    H    THR  10           H        THR  10  -0.333   1.987  -3.939
   56    HA   THR  10           HA       THR  10  -1.132   4.401  -2.743
   57    HB   THR  10           HB       THR  10  -2.537   4.545  -4.814
   58    HG1  THR  10           HG1      THR  10  -4.444   5.058  -3.607
   59   HG21  THR  10          HG21      THR  10  -4.049   2.965  -5.412
   60   HG22  THR  10          HG22      THR  10  -4.420   2.535  -3.742
   61   HG23  THR  10          HG23      THR  10  -2.967   1.902  -4.514
   62    H    CYS  11           H        CYS  11  -3.165   3.948  -1.258
   63    HA   CYS  11           HA       CYS  11  -3.675   1.275  -0.472
   64    HB3  CYS  11           HB3      CYS  11  -1.362   1.404   0.348
   65    H    VAL  12           H        VAL  12  -5.267   3.477  -1.037
   66    HA   VAL  12           HA       VAL  12  -6.102   4.954   1.203
   67    HB   VAL  12           HB       VAL  12  -8.220   5.309  -0.063
   68   HG11  VAL  12          HG11      VAL  12  -6.667   6.928  -0.565
   69   HG12  VAL  12          HG12      VAL  12  -5.526   5.773  -1.256
   70   HG13  VAL  12          HG13      VAL  12  -6.966   6.242  -2.162
   71   HG21  VAL  12          HG21      VAL  12  -8.229   3.037  -1.111
   72   HG22  VAL  12          HG22      VAL  12  -8.533   4.362  -2.234
   73   HG23  VAL  12          HG23      VAL  12  -6.948   3.591  -2.188
   74    H    ARG  13           H        ARG  13  -8.673   4.707   1.709
   75    HA   ARG  13           HA       ARG  13  -8.921   2.687   3.556
   76    HB3  ARG  13           HB3      ARG  13 -11.533   3.111   2.735
   77    HG3  ARG  13           HG3      ARG  13 -10.515   3.410   5.030
   78    HD3  ARG  13           HD3      ARG  13  -9.240   5.567   3.720
   79    HE   ARG  13           HE       ARG  13 -11.415   6.509   5.357
   80   HH11  ARG  13          HH11      ARG  13  -8.214   7.168   4.158
   81   HH12  ARG  13          HH12      ARG  13  -8.348   8.883   4.366
   82   HH21  ARG  13          HH22      ARG  13 -11.605   8.765   5.635
   83   HH22  ARG  13          HH21      ARG  13 -10.277   9.790   5.206
   84    HA   PRO  14           HA       PRO  14 -11.372  -0.015   0.395
   85    HB3  PRO  14           HB3      PRO  14 -12.601   1.308  -1.025
   86    HG3  PRO  14           HG3      PRO  14 -11.804   3.378  -1.725
   87    HD3  PRO  14           HD3      PRO  14 -11.491   3.581   0.548
   88    H    ARG  15           H        ARG  15  -8.300   1.338  -0.049
   89    HA   ARG  15           HA       ARG  15  -7.407  -0.994  -1.611
   90    HB3  ARG  15           HB3      ARG  15  -5.675   1.411  -1.313
   91    HG3  ARG  15           HG3      ARG  15  -5.461  -0.869  -2.794
   92    HD3  ARG  15           HD3      ARG  15  -7.279  -0.163  -4.282
   93    HE   ARG  15           HE       ARG  15  -6.373   2.374  -4.102
   94   HH11  ARG  15          HH11      ARG  15  -6.757   0.165  -6.764
   95   HH12  ARG  15          HH12      ARG  15  -7.053   1.413  -7.928
   96   HH21  ARG  15          HH22      ARG  15  -6.761   4.028  -5.625
   97   HH22  ARG  15          HH21      ARG  15  -7.055   3.610  -7.279
   98    H    LYS  16           H        LYS  16  -7.844  -1.116   1.191
   99    HA   LYS  16           HA       LYS  16  -5.717  -0.666   2.860
  100    HB3  LYS  16           HB3      LYS  16  -7.650  -1.519   3.870
  101    HG3  LYS  16           HG3      LYS  16  -7.578  -3.578   1.736
  102    HD3  LYS  16           HD3      LYS  16  -9.462  -4.584   3.420
  103    HE3  LYS  16           HE3      LYS  16  -7.277  -6.093   4.082
  104    HZ1  LYS  16           HZ1      LYS  16  -9.253  -6.897   2.954
  105    HZ2  LYS  16           HZ2      LYS  16  -7.860  -7.427   2.154
  106    HZ3  LYS  16           HZ3      LYS  16  -8.769  -6.153   1.514
  107    H    CYS  17           H        CYS  17  -3.771  -1.587   3.282
  108    HA   CYS  17           HA       CYS  17  -2.626  -3.253   1.236
  109    HB3  CYS  17           HB3      CYS  17  -0.704  -3.137   3.149
  110    H    GLN  18           H        GLN  18  -3.086  -5.356   1.213
  111    HA   GLN  18           HA       GLN  18  -3.960  -6.876   3.391
  112    HB3  GLN  18           HB3      GLN  18  -2.975  -7.466   0.653
  113    HG3  GLN  18           HG3      GLN  18  -3.003  -9.481   2.857
  114   HE21  GLN  18          HE22      GLN  18  -1.866 -11.237   0.662
  115   HE22  GLN  18          HE21      GLN  18  -3.261 -11.959  -0.058
  116    HA   PRO  19           HA       PRO  19   0.546  -8.592   3.743
  117    HB3  PRO  19           HB3      PRO  19   1.577  -8.604   1.689
  118    HG3  PRO  19           HG3      PRO  19   1.134  -6.951   0.116
  119    HD3  PRO  19           HD3      PRO  19  -1.019  -7.560   0.668
  120    HA   PRO  20           HA       PRO  20   1.984  -5.805   6.825
  121    HB3  PRO  20           HB3      PRO  20   3.327  -7.490   7.623
  122    HG3  PRO  20           HG3      PRO  20   4.436  -8.928   6.171
  123    HD3  PRO  20           HD3      PRO  20   2.306  -9.052   5.301
  124    H    LEU  21           H        LEU  21   1.616  -3.968   5.301
  125    HA   LEU  21           HA       LEU  21   4.160  -2.740   4.463
  126    HB3  LEU  21           HB3      LEU  21   2.488  -1.285   3.069
  127    HG   LEU  21           HG       LEU  21   2.391  -2.985   1.203
  128   HD11  LEU  21          HD11      LEU  21   4.177  -1.583   0.966
  129   HD12  LEU  21          HD12      LEU  21   5.022  -3.115   1.183
  130   HD13  LEU  21          HD13      LEU  21   4.857  -1.998   2.539
  131   HD21  LEU  21          HD21      LEU  21   2.391  -4.946   2.789
  132   HD22  LEU  21          HD22      LEU  21   4.109  -4.637   3.041
  133   HD23  LEU  21          HD23      LEU  21   3.516  -5.057   1.433
  134    H    LYS  22           H        LYS  22   3.636  -0.180   4.220
  135    HA   LYS  22           HA       LYS  22   2.144   0.822   6.498
  136    HB3  LYS  22           HB3      LYS  22   4.421   2.199   6.963
  137    HG3  LYS  22           HG3      LYS  22   4.238  -0.503   8.212
  138    HD3  LYS  22           HD3      LYS  22   4.727   2.291   9.246
  139    HE3  LYS  22           HE3      LYS  22   3.977  -0.167  10.601
  140    HZ1  LYS  22           HZ1      LYS  22   6.637   0.933  11.062
  141    HZ2  LYS  22           HZ2      LYS  22   6.057  -0.638  11.305
  142    HZ3  LYS  22           HZ3      LYS  22   5.715   0.573  12.435
  143    H    CYS  23           H        CYS  23   1.052   2.508   5.760
  144    HA   CYS  23           HA       CYS  23   1.793   3.839   3.330
  145    HB3  CYS  23           HB3      CYS  23  -0.236   5.192   3.725
  146    H    ASN  24           H        ASN  24   1.250   6.441   3.609
  147    HA   ASN  24           HA       ASN  24   3.065   7.433   5.700
  148    HB3  ASN  24           HB3      ASN  24   4.555   8.039   4.146
  149   HD21  ASN  24          HD22      ASN  24   5.395   6.722   2.719
  150   HD22  ASN  24          HD21      ASN  24   4.610   6.098   1.312
  151    H    LYS  25           H        LYS  25   1.256   8.979   3.058
  152    HA   LYS  25           HA       LYS  25  -0.709  10.077   4.844
  153    HB3  LYS  25           HB3      LYS  25   0.964  11.659   5.401
  154    HG3  LYS  25           HG3      LYS  25   1.510  12.023   2.462
  155    HD3  LYS  25           HD3      LYS  25   2.404  13.460   4.929
  156    HE3  LYS  25           HE3      LYS  25   4.319  12.409   3.407
  157    HZ1  LYS  25           HZ1      LYS  25   4.199  15.025   2.127
  158    HZ2  LYS  25           HZ2      LYS  25   3.178  13.829   1.504
  159    HZ3  LYS  25           HZ3      LYS  25   4.849  13.571   1.558
  160    H    ALA  26           H        ALA  26   0.842  10.240   1.669
  161    HA   ALA  26           HA       ALA  26  -1.676  11.040   0.430
  162    HB1  ALA  26           HB1      ALA  26  -0.163  10.966  -1.675
  163    HB2  ALA  26           HB2      ALA  26   0.049  12.267  -0.502
  164    HB3  ALA  26           HB3      ALA  26   1.159  10.896  -0.509
  165    H    GLN  27           H        GLN  27  -1.024   8.307   1.614
  166    HA   GLN  27           HA       GLN  27  -1.524   6.132   1.176
  167    HB3  GLN  27           HB3      GLN  27  -3.251   5.662  -0.368
  168    HG3  GLN  27           HG3      GLN  27  -3.540   7.829   1.328
  169   HE21  GLN  27          HE22      GLN  27  -4.444   9.814   1.284
  170   HE22  GLN  27          HE21      GLN  27  -4.828  10.676  -0.163
  171    H    ILE  28           H        ILE  28   0.470   5.267   0.813
  172    HA   ILE  28           HA       ILE  28   1.160   4.775  -1.986
  173    HB   ILE  28           HB       ILE  28   3.210   5.699   0.027
  174   HG13  ILE  28          HG13      ILE  28   3.320   7.776  -1.184
  175   HG21  ILE  28          HG21      ILE  28   4.683   5.799  -1.969
  176   HG22  ILE  28          HG22      ILE  28   4.153   4.168  -1.562
  177   HG23  ILE  28          HG23      ILE  28   3.401   5.030  -2.904
  178   HD11  ILE  28          HD11      ILE  28   1.812   6.339  -3.216
  179   HD12  ILE  28          HD12      ILE  28   1.165   7.940  -2.856
  180   HD13  ILE  28          HD13      ILE  28   2.847   7.760  -3.357
  181    H    CYS  29           H        CYS  29   1.772   4.044   1.420
  182    HA   CYS  29           HA       CYS  29   2.161   2.078   2.499
  183    HB3  CYS  29           HB3      CYS  29   1.900   0.118   0.458
  184    H    VAL  30           H        VAL  30   4.069   1.248   3.059
  185    HA   VAL  30           HA       VAL  30   5.949   0.307   1.073
  186    HB   VAL  30           HB       VAL  30   7.718   1.823   2.429
  187   HG11  VAL  30          HG11      VAL  30   6.542   1.787  -0.164
  188   HG12  VAL  30          HG12      VAL  30   6.800   3.466   0.316
  189   HG13  VAL  30          HG13      VAL  30   8.151   2.331   0.313
  190   HG21  VAL  30          HG21      VAL  30   5.948   2.965   3.696
  191   HG22  VAL  30          HG22      VAL  30   6.856   4.082   2.677
  192   HG23  VAL  30          HG23      VAL  30   5.251   3.544   2.184
  193    H    ASP  31           H        ASP  31   8.111  -0.267   2.312
  194    HA   ASP  31           HA       ASP  31   8.066  -0.861   5.044
  195    HB3  ASP  31           HB3      ASP  31   7.700  -3.434   3.599
  196    HA   PRO  32           HA       PRO  32  12.085  -1.306   2.785
  197    HB3  PRO  32           HB3      PRO  32  12.544   0.930   3.054
  198    HG3  PRO  32           HG3      PRO  32  11.539   2.165   4.748
  199    HD3  PRO  32           HD3      PRO  32   9.678   1.160   3.833
  200    H    LYS  33           H        LYS  33  10.846  -2.012   5.859
  201    HA   LYS  33           HA       LYS  33  13.188  -2.944   7.155
  202    HB3  LYS  33           HB3      LYS  33  11.000  -4.429   8.120
  203    HG3  LYS  33           HG3      LYS  33  12.661  -2.210   9.033
  204    HD3  LYS  33           HD3      LYS  33  10.255  -1.344   9.230
  205    HE3  LYS  33           HE3      LYS  33  10.066  -3.844  10.681
  206    HZ1  LYS  33           HZ1      LYS  33   9.955  -3.046  12.740
  207    HZ2  LYS  33           HZ2      LYS  33   8.496  -2.319  12.290
  208    HZ3  LYS  33           HZ3      LYS  33   9.936  -1.435  12.225
  209    H    LYS  34           H        LYS  34  11.143  -4.273   4.720
  210    HA   LYS  34           HA       LYS  34  12.899  -6.444   4.234
  211    HB3  LYS  34           HB3      LYS  34  10.185  -7.317   5.200
  212    HG3  LYS  34           HG3      LYS  34  12.034  -8.728   3.836
  213    HD3  LYS  34           HD3      LYS  34  12.477  -9.706   6.615
  214    HE3  LYS  34           HE3      LYS  34  14.426  -9.663   4.340
  215    HZ1  LYS  34           HZ1      LYS  34  14.017 -11.901   6.187
  216    HZ2  LYS  34           HZ2      LYS  34  14.792 -10.515   6.771
  217    HZ3  LYS  34           HZ3      LYS  34  15.440 -11.355   5.453
  218    H    GLY  35           H        GLY  35  11.679  -4.296   2.781
  219    HA2  GLY  35           HA2      GLY  35  10.665  -5.830   0.545
  220    HA3  GLY  35           HA3      GLY  35   9.499  -4.721   1.251
  221    H    TRP  36           H        TRP  36   9.415  -2.764   0.385
  222    HA   TRP  36           HA       TRP  36   9.916  -0.967  -0.922
  223    HB3  TRP  36           HB3      TRP  36  12.652  -1.438   0.283
  224    HD1  TRP  36           HD1      TRP  36  13.778  -0.495  -2.051
  225    HE1  TRP  36           HE1      TRP  36  14.138   1.932  -2.830
  226    HE3  TRP  36           HE3      TRP  36  10.448   1.853   1.038
  227    HZ2  TRP  36           HZ2      TRP  36  13.143   4.501  -2.215
  228    HZ3  TRP  36           HZ3      TRP  36  10.213   4.296   0.880
  229    HH2  TRP  36           HH2      TRP  36  11.534   5.591  -0.714
  Start of MODEL    9
    1    H1   ASP   1           H1       ASP   1  -9.862 -11.818   3.455
    2    HA   ASP   1           HA       ASP   1  -9.208 -13.664   1.323
    3    HB3  ASP   1           HB3      ASP   1 -11.522 -14.182   0.750
    4    H    PHE   2           H        PHE   2  -8.794 -10.835   1.963
    5    HA   PHE   2           HA       PHE   2 -10.194  -9.639  -0.337
    6    HB3  PHE   2           HB3      PHE   2 -10.225  -7.529   0.764
    7    HD1  PHE   2           HD1      PHE   2 -12.444  -9.036   0.597
    8    HD2  PHE   2           HD2      PHE   2 -10.036  -8.524   4.069
    9    HE1  PHE   2           HE1      PHE   2 -14.365  -9.636   2.014
   10    HE2  PHE   2           HE2      PHE   2 -11.952  -9.123   5.491
   11    HZ   PHE   2           HZ       PHE   2 -14.119  -9.681   4.465
   12    HA   PRO   3           HA       PRO   3  -5.646  -9.729  -1.242
   13    HB3  PRO   3           HB3      PRO   3  -5.859 -11.669  -2.454
   14    HG3  PRO   3           HG3      PRO   3  -7.902 -12.291  -3.373
   15    HD3  PRO   3           HD3      PRO   3  -8.559 -11.845  -1.208
   16    H    LEU   4           H        LEU   4  -4.473  -8.222  -2.411
   17    HA   LEU   4           HA       LEU   4  -5.662  -6.565  -4.418
   18    HB3  LEU   4           HB3      LEU   4  -6.648  -5.563  -2.421
   19    HG   LEU   4           HG       LEU   4  -3.894  -5.569  -1.380
   20   HD11  LEU   4          HD11      LEU   4  -5.673  -3.177  -0.931
   21   HD12  LEU   4          HD12      LEU   4  -4.214  -3.180  -1.922
   22   HD13  LEU   4          HD13      LEU   4  -4.103  -3.486  -0.189
   23   HD21  LEU   4          HD21      LEU   4  -6.583  -5.288  -0.043
   24   HD22  LEU   4          HD22      LEU   4  -5.050  -5.685   0.732
   25   HD23  LEU   4          HD23      LEU   4  -5.788  -6.823  -0.396
   26    H    SER   5           H        SER   5  -4.034  -4.416  -4.447
   27    HA   SER   5           HA       SER   5  -1.518  -5.585  -5.207
   28    HB3  SER   5           HB3      SER   5  -0.987  -3.452  -6.141
   29    HG   SER   5           HG       SER   5  -3.369  -2.901  -6.888
   30    H    LYS   6           H        LYS   6   0.350  -3.688  -4.643
   31    HA   LYS   6           HA       LYS   6   0.378  -2.939  -1.887
   32    HB3  LYS   6           HB3      LYS   6   0.781  -5.425  -1.788
   33    HG3  LYS   6           HG3      LYS   6   3.580  -4.946  -2.661
   34    HD3  LYS   6           HD3      LYS   6   1.821  -7.369  -2.973
   35    HE3  LYS   6           HE3      LYS   6   4.561  -7.898  -2.395
   36    HZ1  LYS   6           HZ1      LYS   6   3.636  -8.263  -5.109
   37    HZ2  LYS   6           HZ2      LYS   6   2.638  -8.959  -3.932
   38    HZ3  LYS   6           HZ3      LYS   6   4.271  -9.391  -4.019
   39    H    GLU   7           H        GLU   7   3.111  -2.834  -1.447
   40    HA   GLU   7           HA       GLU   7   4.993  -1.641  -1.922
   41    HB3  GLU   7           HB3      GLU   7   4.437  -1.246  -4.784
   42    HG3  GLU   7           HG3      GLU   7   6.675  -2.829  -3.585
   43    H    TYR   8           H        TYR   8   5.333   0.384  -3.927
   44    HA   TYR   8           HA       TYR   8   4.441   2.633  -2.606
   45    HB3  TYR   8           HB3      TYR   8   6.211   2.766  -4.246
   46    HD1  TYR   8           HD1      TYR   8   3.506   3.367  -6.657
   47    HD2  TYR   8           HD2      TYR   8   6.748   0.829  -5.581
   48    HE1  TYR   8           HE1      TYR   8   3.406   2.309  -8.875
   49    HE2  TYR   8           HE2      TYR   8   6.658  -0.235  -7.796
   50    HH   TYR   8           HH       TYR   8   4.330   0.837 -10.257
   51    H    GLU   9           H        GLU   9   2.691   0.544  -4.692
   52    HA   GLU   9           HA       GLU   9   0.768   2.067  -5.866
   53    HB3  GLU   9           HB3      GLU   9   0.162  -0.487  -4.371
   54    HG3  GLU   9           HG3      GLU   9  -1.554   1.053  -5.818
   55    H    THR  10           H        THR  10  -1.073   3.131  -5.289
   56    HA   THR  10           HA       THR  10  -1.278   4.391  -2.859
   57    HB   THR  10           HB       THR  10  -3.551   4.997  -3.437
   58    HG1  THR  10           HG1      THR  10  -3.435   3.142  -5.587
   59   HG21  THR  10          HG21      THR  10  -3.037   6.231  -5.286
   60   HG22  THR  10          HG22      THR  10  -2.326   4.862  -6.140
   61   HG23  THR  10          HG23      THR  10  -1.413   5.681  -4.872
   62    H    CYS  11           H        CYS  11  -2.414   4.077  -0.963
   63    HA   CYS  11           HA       CYS  11  -3.646   1.428  -0.595
   64    HB3  CYS  11           HB3      CYS  11  -1.463   1.369   0.455
   65    H    VAL  12           H        VAL  12  -5.274   3.422  -1.258
   66    HA   VAL  12           HA       VAL  12  -6.205   5.125   0.747
   67    HB   VAL  12           HB       VAL  12  -8.349   5.160  -0.507
   68   HG11  VAL  12          HG11      VAL  12  -7.376   6.000  -2.643
   69   HG12  VAL  12          HG12      VAL  12  -6.611   6.660  -1.195
   70   HG13  VAL  12          HG13      VAL  12  -5.810   5.385  -2.115
   71   HG21  VAL  12          HG21      VAL  12  -8.601   3.857  -2.532
   72   HG22  VAL  12          HG22      VAL  12  -7.025   3.107  -2.276
   73   HG23  VAL  12          HG23      VAL  12  -8.349   2.780  -1.159
   74    H    ARG  13           H        ARG  13  -8.738   4.804   1.360
   75    HA   ARG  13           HA       ARG  13  -8.791   3.015   3.475
   76    HB3  ARG  13           HB3      ARG  13 -11.464   3.336   2.719
   77    HG3  ARG  13           HG3      ARG  13  -9.682   4.940   4.521
   78    HD3  ARG  13           HD3      ARG  13 -11.689   6.226   3.526
   79    HE   ARG  13           HE       ARG  13 -13.637   5.057   3.810
   80   HH11  ARG  13          HH11      ARG  13 -11.778   4.915   6.749
   81   HH12  ARG  13          HH12      ARG  13 -13.045   4.174   7.669
   82   HH21  ARG  13          HH22      ARG  13 -15.313   4.081   5.010
   83   HH22  ARG  13          HH21      ARG  13 -15.055   3.699   6.678
   84    HA   PRO  14           HA       PRO  14 -11.386  -0.032   0.768
   85    HB3  PRO  14           HB3      PRO  14 -12.695   1.121  -0.726
   86    HG3  PRO  14           HG3      PRO  14 -11.955   3.103  -1.690
   87    HD3  PRO  14           HD3      PRO  14 -11.532   3.558   0.530
   88    H    ARG  15           H        ARG  15  -8.347   1.263   0.059
   89    HA   ARG  15           HA       ARG  15  -7.517  -1.188  -1.346
   90    HB3  ARG  15           HB3      ARG  15  -5.918   1.358  -1.216
   91    HG3  ARG  15           HG3      ARG  15  -4.764  -0.649  -2.044
   92    HD3  ARG  15           HD3      ARG  15  -7.229  -1.061  -3.404
   93    HE   ARG  15           HE       ARG  15  -5.352  -0.064  -5.211
   94   HH11  ARG  15          HH11      ARG  15  -7.352  -2.880  -4.777
   95   HH12  ARG  15          HH12      ARG  15  -7.498  -3.199  -6.473
   96   HH21  ARG  15          HH22      ARG  15  -5.536  -0.473  -7.448
   97   HH22  ARG  15          HH21      ARG  15  -6.464  -1.830  -7.991
   98    H    LYS  16           H        LYS  16  -7.893  -1.221   1.436
   99    HA   LYS  16           HA       LYS  16  -5.717  -0.682   3.041
  100    HB3  LYS  16           HB3      LYS  16  -6.972  -3.280   3.595
  101    HG3  LYS  16           HG3      LYS  16  -7.652  -2.091   5.688
  102    HD3  LYS  16           HD3      LYS  16  -5.150  -3.038   4.903
  103    HE3  LYS  16           HE3      LYS  16  -4.362  -0.696   4.832
  104    HZ1  LYS  16           HZ1      LYS  16  -5.918  -0.329   7.030
  105    HZ2  LYS  16           HZ2      LYS  16  -4.754   0.754   6.454
  106    HZ3  LYS  16           HZ3      LYS  16  -4.354  -0.346   7.675
  107    H    CYS  17           H        CYS  17  -3.661  -1.238   2.832
  108    HA   CYS  17           HA       CYS  17  -2.605  -3.069   1.062
  109    HB3  CYS  17           HB3      CYS  17  -0.767  -3.057   3.135
  110    H    GLN  18           H        GLN  18  -2.924  -5.183   0.938
  111    HA   GLN  18           HA       GLN  18  -3.960  -6.780   2.999
  112    HB3  GLN  18           HB3      GLN  18  -2.483  -8.388   1.143
  113    HG3  GLN  18           HG3      GLN  18  -5.000  -8.548   0.236
  114   HE21  GLN  18          HE22      GLN  18  -5.696  -9.422   3.285
  115   HE22  GLN  18          HE21      GLN  18  -5.023 -11.014   3.310
  116    HA   PRO  19           HA       PRO  19   0.505  -8.523   3.595
  117    HB3  PRO  19           HB3      PRO  19   1.649  -8.529   1.602
  118    HG3  PRO  19           HG3      PRO  19   1.315  -6.857   0.022
  119    HD3  PRO  19           HD3      PRO  19  -0.874  -7.443   0.447
  120    HA   PRO  20           HA       PRO  20   1.799  -5.782   6.780
  121    HB3  PRO  20           HB3      PRO  20   3.070  -7.492   7.638
  122    HG3  PRO  20           HG3      PRO  20   4.242  -8.934   6.239
  123    HD3  PRO  20           HD3      PRO  20   2.163  -9.021   5.246
  124    H    LEU  21           H        LEU  21   1.543  -3.944   5.212
  125    HA   LEU  21           HA       LEU  21   4.148  -2.737   4.556
  126    HB3  LEU  21           HB3      LEU  21   2.581  -1.259   3.064
  127    HG   LEU  21           HG       LEU  21   2.599  -2.941   1.185
  128   HD11  LEU  21          HD11      LEU  21   4.654  -2.217   0.717
  129   HD12  LEU  21          HD12      LEU  21   5.350  -3.025   2.121
  130   HD13  LEU  21          HD13      LEU  21   4.615  -1.431   2.295
  131   HD21  LEU  21          HD21      LEU  21   4.270  -4.649   2.984
  132   HD22  LEU  21          HD22      LEU  21   3.502  -5.055   1.449
  133   HD23  LEU  21          HD23      LEU  21   2.522  -4.876   2.904
  134    H    LYS  22           H        LYS  22   3.661  -0.170   4.286
  135    HA   LYS  22           HA       LYS  22   2.051   0.831   6.485
  136    HB3  LYS  22           HB3      LYS  22   4.030   2.137   7.380
  137    HG3  LYS  22           HG3      LYS  22   4.316  -0.850   7.635
  138    HD3  LYS  22           HD3      LYS  22   5.650   1.396   8.853
  139    HE3  LYS  22           HE3      LYS  22   4.715  -0.517  10.922
  140    HZ1  LYS  22           HZ1      LYS  22   4.774   2.233  11.611
  141    HZ2  LYS  22           HZ2      LYS  22   6.225   1.788  10.863
  142    HZ3  LYS  22           HZ3      LYS  22   5.692   0.956  12.235
  143    H    CYS  23           H        CYS  23   1.023   2.565   5.764
  144    HA   CYS  23           HA       CYS  23   1.823   3.869   3.337
  145    HB3  CYS  23           HB3      CYS  23  -0.182   5.263   3.695
  146    H    ASN  24           H        ASN  24   1.309   6.489   3.622
  147    HA   ASN  24           HA       ASN  24   3.143   7.441   5.715
  148    HB3  ASN  24           HB3      ASN  24   4.531   7.507   3.822
  149   HD21  ASN  24          HD22      ASN  24   3.223  10.006   2.137
  150   HD22  ASN  24          HD21      ASN  24   2.629   9.145   0.762
  151    H    LYS  25           H        LYS  25   0.952   8.638   3.165
  152    HA   LYS  25           HA       LYS  25  -0.892   9.832   4.880
  153    HB3  LYS  25           HB3      LYS  25   1.340  11.641   3.973
  154    HG3  LYS  25           HG3      LYS  25  -0.387  13.265   5.332
  155    HD3  LYS  25           HD3      LYS  25  -1.002  13.863   2.763
  156    HE3  LYS  25           HE3      LYS  25   0.155  15.352   4.282
  157    HZ1  LYS  25           HZ1      LYS  25   2.387  13.457   3.928
  158    HZ2  LYS  25           HZ2      LYS  25   1.762  14.107   5.359
  159    HZ3  LYS  25           HZ3      LYS  25   2.686  15.074   4.323
  160    H    ALA  26           H        ALA  26   0.807  10.135   1.799
  161    HA   ALA  26           HA       ALA  26  -1.626  11.056   0.480
  162    HB1  ALA  26           HB1      ALA  26  -0.317  11.763  -1.259
  163    HB2  ALA  26           HB2      ALA  26   0.840  11.874   0.069
  164    HB3  ALA  26           HB3      ALA  26   0.880  10.488  -1.022
  165    H    GLN  27           H        GLN  27  -1.044   8.242   1.572
  166    HA   GLN  27           HA       GLN  27  -1.624   6.111   1.027
  167    HB3  GLN  27           HB3      GLN  27  -3.285   5.758  -0.610
  168    HG3  GLN  27           HG3      GLN  27  -3.605   7.856   1.137
  169   HE21  GLN  27          HE22      GLN  27  -3.861   9.963   1.070
  170   HE22  GLN  27          HE21      GLN  27  -4.270  10.898  -0.325
  171    H    ILE  28           H        ILE  28   0.525   5.447   0.783
  172    HA   ILE  28           HA       ILE  28   1.293   4.928  -2.004
  173    HB   ILE  28           HB       ILE  28   3.344   5.653   0.073
  174   HG13  ILE  28          HG13      ILE  28   3.417   7.903  -0.842
  175   HG21  ILE  28          HG21      ILE  28   3.373   5.442  -2.931
  176   HG22  ILE  28          HG22      ILE  28   4.693   6.124  -1.982
  177   HG23  ILE  28          HG23      ILE  28   4.236   4.433  -1.772
  178   HD11  ILE  28          HD11      ILE  28   1.109   8.351  -2.212
  179   HD12  ILE  28          HD12      ILE  28   2.710   8.200  -2.934
  180   HD13  ILE  28          HD13      ILE  28   1.635   6.803  -2.872
  181    H    CYS  29           H        CYS  29   1.794   4.129   1.410
  182    HA   CYS  29           HA       CYS  29   2.131   2.139   2.464
  183    HB3  CYS  29           HB3      CYS  29   1.880   0.276   0.286
  184    H    VAL  30           H        VAL  30   4.009   1.255   3.049
  185    HA   VAL  30           HA       VAL  30   5.887   0.182   1.185
  186    HB   VAL  30           HB       VAL  30   7.685   1.881   2.253
  187   HG11  VAL  30          HG11      VAL  30   7.023   1.239  -0.192
  188   HG12  VAL  30          HG12      VAL  30   6.213   2.806  -0.172
  189   HG13  VAL  30          HG13      VAL  30   7.949   2.706   0.122
  190   HG21  VAL  30          HG21      VAL  30   5.810   3.145   3.354
  191   HG22  VAL  30          HG22      VAL  30   6.876   4.115   2.337
  192   HG23  VAL  30          HG23      VAL  30   5.288   3.631   1.741
  193    H    ASP  31           H        ASP  31   8.076  -0.220   2.430
  194    HA   ASP  31           HA       ASP  31   8.171  -0.378   5.204
  195    HB3  ASP  31           HB3      ASP  31   7.842  -3.144   4.799
  196    HA   PRO  32           HA       PRO  32  12.274  -1.648   4.317
  197    HB3  PRO  32           HB3      PRO  32  12.747  -1.345   6.545
  198    HG3  PRO  32           HG3      PRO  32  11.211  -1.932   8.189
  199    HD3  PRO  32           HD3      PRO  32   9.854  -0.685   6.804
  200    H    LYS  33           H        LYS  33   9.869  -4.069   4.932
  201    HA   LYS  33           HA       LYS  33  11.458  -6.356   4.357
  202    HB3  LYS  33           HB3      LYS  33   8.736  -6.848   3.680
  203    HG3  LYS  33           HG3      LYS  33  10.690  -7.884   5.435
  204    HD3  LYS  33           HD3      LYS  33   8.078  -7.878   6.860
  205    HE3  LYS  33           HE3      LYS  33  10.294  -9.207   7.360
  206    HZ1  LYS  33           HZ1      LYS  33  11.985  -7.986   8.057
  207    HZ2  LYS  33           HZ2      LYS  33  11.051  -7.396   9.339
  208    HZ3  LYS  33           HZ3      LYS  33  11.091  -6.563   7.868
  209    H    LYS  34           H        LYS  34   9.195  -4.425   2.413
  210    HA   LYS  34           HA       LYS  34  10.672  -5.043   0.015
  211    HB3  LYS  34           HB3      LYS  34   7.852  -5.635  -0.451
  212    HG3  LYS  34           HG3      LYS  34  10.217  -6.217  -1.701
  213    HD3  LYS  34           HD3      LYS  34   9.408  -8.494   0.011
  214    HE3  LYS  34           HE3      LYS  34   9.882  -8.699  -2.921
  215    HZ1  LYS  34           HZ1      LYS  34  11.039 -10.647  -2.822
  216    HZ2  LYS  34           HZ2      LYS  34  10.539 -11.016  -1.249
  217    HZ3  LYS  34           HZ3      LYS  34  11.734  -9.847  -1.503
  218    H    GLY  35           H        GLY  35  10.954  -2.946  -0.518
  219    HA2  GLY  35           HA2      GLY  35   8.936  -1.497  -1.783
  220    HA3  GLY  35           HA3      GLY  35   9.034  -0.906  -0.131
  221    H    TRP  36           H        TRP  36   9.807   1.117  -0.613
  222    HA   TRP  36           HA       TRP  36  11.908   1.650  -2.415
  223    HB3  TRP  36           HB3      TRP  36  11.649   3.520  -0.160
  224    HD1  TRP  36           HD1      TRP  36  13.668   3.667  -2.524
  225    HE1  TRP  36           HE1      TRP  36  13.519   5.552  -4.271
  226    HE3  TRP  36           HE3      TRP  36   8.774   4.994  -1.870
  227    HZ2  TRP  36           HZ2      TRP  36  11.583   7.360  -5.244
  228    HZ3  TRP  36           HZ3      TRP  36   7.852   6.811  -3.248
  229    HH2  TRP  36           HH2      TRP  36   9.228   7.969  -4.899
  Start of MODEL   10
    1    H1   ASP   1           H1       ASP   1 -14.172  -5.640  -2.995
    2    HA   ASP   1           HA       ASP   1 -13.073  -7.298  -4.901
    3    HB3  ASP   1           HB3      ASP   1 -14.331  -6.197  -6.945
    4    H    PHE   2           H        PHE   2 -11.328  -6.020  -4.185
    5    HA   PHE   2           HA       PHE   2 -11.234  -3.334  -5.394
    6    HB3  PHE   2           HB3      PHE   2 -11.182  -2.909  -3.088
    7    HD1  PHE   2           HD1      PHE   2  -8.141  -5.035  -3.207
    8    HD2  PHE   2           HD2      PHE   2 -11.920  -4.307  -1.387
    9    HE1  PHE   2           HE1      PHE   2  -7.652  -6.751  -1.512
   10    HE2  PHE   2           HE2      PHE   2 -11.436  -6.021   0.311
   11    HZ   PHE   2           HZ       PHE   2  -9.300  -7.245   0.250
   12    HA   PRO   3           HA       PRO   3  -7.682  -4.541  -7.669
   13    HB3  PRO   3           HB3      PRO   3  -7.698  -2.441  -8.600
   14    HG3  PRO   3           HG3      PRO   3  -8.248  -0.570  -7.334
   15    HD3  PRO   3           HD3      PRO   3 -10.023  -1.944  -6.805
   16    H    LEU   4           H        LEU   4  -6.834  -2.665  -4.757
   17    HA   LEU   4           HA       LEU   4  -5.195  -2.914  -3.202
   18    HB3  LEU   4           HB3      LEU   4  -5.579  -5.735  -4.136
   19    HG   LEU   4           HG       LEU   4  -3.315  -4.845  -2.579
   20   HD11  LEU   4          HD11      LEU   4  -4.653  -7.092  -1.207
   21   HD12  LEU   4          HD12      LEU   4  -5.285  -5.478  -0.881
   22   HD13  LEU   4          HD13      LEU   4  -3.587  -5.839  -0.569
   23   HD21  LEU   4          HD21      LEU   4  -2.768  -6.422  -4.128
   24   HD22  LEU   4          HD22      LEU   4  -4.294  -7.288  -3.951
   25   HD23  LEU   4          HD23      LEU   4  -3.028  -7.477  -2.738
   26    H    SER   5           H        SER   5  -3.471  -1.760  -3.845
   27    HA   SER   5           HA       SER   5  -1.704  -2.833  -5.910
   28    HB3  SER   5           HB3      SER   5  -0.622  -0.607  -5.828
   29    HG   SER   5           HG       SER   5  -3.405  -0.174  -5.912
   30    H    LYS   6           H        LYS   6   0.373  -3.456  -5.558
   31    HA   LYS   6           HA       LYS   6   1.144  -3.860  -2.770
   32    HB3  LYS   6           HB3      LYS   6   1.251  -5.823  -4.164
   33    HG3  LYS   6           HG3      LYS   6   3.472  -5.183  -5.855
   34    HD3  LYS   6           HD3      LYS   6   1.342  -6.896  -5.854
   35    HE3  LYS   6           HE3      LYS   6   0.757  -4.599  -7.658
   36    HZ1  LYS   6           HZ1      LYS   6  -0.032  -5.826  -9.349
   37    HZ2  LYS   6           HZ2      LYS   6  -0.514  -7.110  -8.359
   38    HZ3  LYS   6           HZ3      LYS   6   1.104  -6.965  -8.829
   39    H    GLU   7           H        GLU   7   3.215  -3.292  -1.975
   40    HA   GLU   7           HA       GLU   7   4.895  -1.803  -1.591
   41    HB3  GLU   7           HB3      GLU   7   5.670  -1.292  -4.329
   42    HG3  GLU   7           HG3      GLU   7   6.916  -3.037  -2.217
   43    H    TYR   8           H        TYR   8   5.914   0.351  -2.902
   44    HA   TYR   8           HA       TYR   8   4.193   2.410  -2.284
   45    HB3  TYR   8           HB3      TYR   8   6.595   2.735  -2.616
   46    HD1  TYR   8           HD1      TYR   8   7.648   0.737  -3.703
   47    HD2  TYR   8           HD2      TYR   8   5.879   3.878  -5.963
   48    HE1  TYR   8           HE1      TYR   8   8.866  -0.023  -5.700
   49    HE2  TYR   8           HE2      TYR   8   7.091   3.126  -7.967
   50    HH   TYR   8           HH       TYR   8   9.655   1.332  -7.999
   51    H    GLU   9           H        GLU   9   2.356   3.089  -3.146
   52    HA   GLU   9           HA       GLU   9   1.955   3.557  -5.888
   53    HB3  GLU   9           HB3      GLU   9   0.616   1.071  -4.807
   54    HG3  GLU   9           HG3      GLU   9  -0.027   2.780  -7.106
   55    H    THR  10           H        THR  10  -0.314   2.193  -3.516
   56    HA   THR  10           HA       THR  10  -1.302   4.631  -2.541
   57    HB   THR  10           HB       THR  10  -3.634   4.012  -3.900
   58    HG1  THR  10           HG1      THR  10  -2.778   2.856  -5.530
   59   HG21  THR  10          HG21      THR  10  -3.469   6.239  -3.904
   60   HG22  THR  10          HG22      THR  10  -2.462   6.085  -5.343
   61   HG23  THR  10          HG23      THR  10  -1.714   6.175  -3.749
   62    H    CYS  11           H        CYS  11  -2.549   4.262  -0.792
   63    HA   CYS  11           HA       CYS  11  -3.793   1.612  -0.507
   64    HB3  CYS  11           HB3      CYS  11  -1.854   1.407   0.824
   65    H    VAL  12           H        VAL  12  -5.841   2.422  -0.920
   66    HA   VAL  12           HA       VAL  12  -6.847   4.615   0.714
   67    HB   VAL  12           HB       VAL  12  -8.623   3.113  -1.145
   68   HG11  VAL  12          HG11      VAL  12  -8.627   5.595   0.247
   69   HG12  VAL  12          HG12      VAL  12  -8.687   5.923  -1.486
   70   HG13  VAL  12          HG13      VAL  12  -9.901   4.881  -0.741
   71   HG21  VAL  12          HG21      VAL  12  -6.214   4.671  -1.956
   72   HG22  VAL  12          HG22      VAL  12  -6.905   3.212  -2.667
   73   HG23  VAL  12          HG23      VAL  12  -7.674   4.776  -2.938
   74    H    ARG  13           H        ARG  13  -9.095   4.331   1.642
   75    HA   ARG  13           HA       ARG  13  -9.106   2.496   3.688
   76    HB3  ARG  13           HB3      ARG  13 -11.816   2.918   3.079
   77    HG3  ARG  13           HG3      ARG  13  -9.901   3.827   5.045
   78    HD3  ARG  13           HD3      ARG  13 -11.591   5.725   5.688
   79    HE   ARG  13           HE       ARG  13  -9.849   6.743   3.653
   80   HH11  ARG  13          HH11      ARG  13  -9.984   5.345   6.839
   81   HH12  ARG  13          HH12      ARG  13  -8.481   6.039   7.350
   82   HH21  ARG  13          HH22      ARG  13  -7.869   7.663   4.314
   83   HH22  ARG  13          HH21      ARG  13  -7.279   7.358   5.913
   84    HA   PRO  14           HA       PRO  14 -11.972  -0.447   1.154
   85    HB3  PRO  14           HB3      PRO  14 -13.381   0.760  -0.202
   86    HG3  PRO  14           HG3      PRO  14 -12.684   2.743  -1.194
   87    HD3  PRO  14           HD3      PRO  14 -12.059   3.150   0.987
   88    H    ARG  15           H        ARG  15  -8.990   0.818   0.158
   89    HA   ARG  15           HA       ARG  15  -8.284  -1.745  -1.112
   90    HB3  ARG  15           HB3      ARG  15  -6.500  -0.317  -2.317
   91    HG3  ARG  15           HG3      ARG  15  -9.392  -0.439  -2.963
   92    HD3  ARG  15           HD3      ARG  15  -8.501   0.624  -5.236
   93    HE   ARG  15           HE       ARG  15  -9.282   2.672  -3.364
   94   HH11  ARG  15          HH11      ARG  15 -10.340  -0.017  -5.307
   95   HH12  ARG  15          HH12      ARG  15 -11.988   0.513  -5.376
   96   HH21  ARG  15          HH22      ARG  15 -11.450   3.379  -3.446
   97   HH22  ARG  15          HH21      ARG  15 -12.618   2.445  -4.318
   98    H    LYS  16           H        LYS  16  -8.110  -1.152   1.670
   99    HA   LYS  16           HA       LYS  16  -5.675  -0.250   2.605
  100    HB3  LYS  16           HB3      LYS  16  -6.557  -2.620   4.044
  101    HG3  LYS  16           HG3      LYS  16  -7.132   0.078   5.086
  102    HD3  LYS  16           HD3      LYS  16  -6.110  -2.538   6.049
  103    HE3  LYS  16           HE3      LYS  16  -4.917  -0.029   6.805
  104    HZ1  LYS  16           HZ1      LYS  16  -6.486   0.150   8.542
  105    HZ2  LYS  16           HZ2      LYS  16  -5.087  -0.492   9.246
  106    HZ3  LYS  16           HZ3      LYS  16  -6.401  -1.500   8.907
  107    H    CYS  17           H        CYS  17  -3.681  -1.177   3.023
  108    HA   CYS  17           HA       CYS  17  -2.766  -3.097   1.157
  109    HB3  CYS  17           HB3      CYS  17  -0.741  -3.051   2.903
  110    H    GLN  18           H        GLN  18  -3.427  -5.151   1.247
  111    HA   GLN  18           HA       GLN  18  -4.347  -6.535   3.464
  112    HB3  GLN  18           HB3      GLN  18  -3.352  -7.290   0.777
  113    HG3  GLN  18           HG3      GLN  18  -3.569  -9.255   3.032
  114   HE21  GLN  18          HE22      GLN  18  -5.744  -9.591   1.719
  115   HE22  GLN  18          HE21      GLN  18  -5.655 -10.857   0.546
  116    HA   PRO  19           HA       PRO  19   0.048  -8.462   4.022
  117    HB3  PRO  19           HB3      PRO  19   1.107  -8.674   1.994
  118    HG3  PRO  19           HG3      PRO  19   0.789  -7.109   0.304
  119    HD3  PRO  19           HD3      PRO  19  -1.405  -7.551   0.855
  120    HA   PRO  20           HA       PRO  20   1.582  -5.556   6.943
  121    HB3  PRO  20           HB3      PRO  20   2.776  -7.267   7.905
  122    HG3  PRO  20           HG3      PRO  20   3.817  -8.886   6.600
  123    HD3  PRO  20           HD3      PRO  20   1.708  -8.922   5.671
  124    H    LEU  21           H        LEU  21   1.403  -3.776   5.359
  125    HA   LEU  21           HA       LEU  21   4.029  -2.849   4.405
  126    HB3  LEU  21           HB3      LEU  21   2.422  -1.250   3.059
  127    HG   LEU  21           HG       LEU  21   2.128  -2.977   1.228
  128   HD11  LEU  21          HD11      LEU  21   4.571  -1.858   2.355
  129   HD12  LEU  21          HD12      LEU  21   3.997  -1.885   0.688
  130   HD13  LEU  21          HD13      LEU  21   4.850  -3.280   1.348
  131   HD21  LEU  21          HD21      LEU  21   3.198  -5.095   1.456
  132   HD22  LEU  21          HD22      LEU  21   2.082  -4.916   2.810
  133   HD23  LEU  21          HD23      LEU  21   3.813  -4.679   3.056
  134    H    LYS  22           H        LYS  22   3.867  -0.279   4.133
  135    HA   LYS  22           HA       LYS  22   2.617   0.931   6.476
  136    HB3  LYS  22           HB3      LYS  22   5.285   1.969   6.257
  137    HG3  LYS  22           HG3      LYS  22   4.048   0.332   8.461
  138    HD3  LYS  22           HD3      LYS  22   6.632   0.978   8.275
  139    HE3  LYS  22           HE3      LYS  22   5.558   3.481   8.323
  140    HZ1  LYS  22           HZ1      LYS  22   4.810   3.225  10.609
  141    HZ2  LYS  22           HZ2      LYS  22   6.038   4.384  10.506
  142    HZ3  LYS  22           HZ3      LYS  22   6.382   2.840  11.104
  143    H    CYS  23           H        CYS  23   1.538   2.623   5.733
  144    HA   CYS  23           HA       CYS  23   2.353   3.921   3.265
  145    HB3  CYS  23           HB3      CYS  23   0.218   5.112   3.429
  146    H    ASN  24           H        ASN  24   1.561   6.489   3.555
  147    HA   ASN  24           HA       ASN  24   3.163   7.557   5.778
  148    HB3  ASN  24           HB3      ASN  24   4.714   8.056   4.199
  149   HD21  ASN  24          HD22      ASN  24   2.814   9.581   1.880
  150   HD22  ASN  24          HD21      ASN  24   2.908   8.376   0.646
  151    H    LYS  25           H        LYS  25   1.137   8.728   3.083
  152    HA   LYS  25           HA       LYS  25  -0.984   9.639   4.648
  153    HB3  LYS  25           HB3      LYS  25   0.189  12.152   3.846
  154    HG3  LYS  25           HG3      LYS  25   0.000  11.649   6.707
  155    HD3  LYS  25           HD3      LYS  25  -1.772  13.460   5.124
  156    HE3  LYS  25           HE3      LYS  25  -1.248  13.098   7.817
  157    HZ1  LYS  25           HZ1      LYS  25  -0.403  15.658   7.983
  158    HZ2  LYS  25           HZ2      LYS  25   0.569  15.051   6.738
  159    HZ3  LYS  25           HZ3      LYS  25   0.566  14.297   8.253
  160    H    ALA  26           H        ALA  26   0.985  10.077   1.783
  161    HA   ALA  26           HA       ALA  26  -1.297  11.066   0.255
  162    HB1  ALA  26           HB1      ALA  26   1.558  10.613  -0.605
  163    HB2  ALA  26           HB2      ALA  26   0.297  11.400  -1.556
  164    HB3  ALA  26           HB3      ALA  26   0.874  12.147  -0.066
  165    H    GLN  27           H        GLN  27  -1.023   8.260   1.331
  166    HA   GLN  27           HA       GLN  27  -1.514   6.137   0.680
  167    HB3  GLN  27           HB3      GLN  27  -2.650   6.000  -1.660
  168    HG3  GLN  27           HG3      GLN  27  -3.855   7.667   0.537
  169   HE21  GLN  27          HE22      GLN  27  -6.259   7.230   0.617
  170   HE22  GLN  27          HE21      GLN  27  -7.109   7.313  -0.885
  171    H    ILE  28           H        ILE  28   0.448   5.158   0.551
  172    HA   ILE  28           HA       ILE  28   1.516   4.755  -2.132
  173    HB   ILE  28           HB       ILE  28   3.214   5.729   0.167
  174   HG13  ILE  28          HG13      ILE  28   3.713   7.621  -1.270
  175   HG21  ILE  28          HG21      ILE  28   4.020   4.731  -2.560
  176   HG22  ILE  28          HG22      ILE  28   5.097   5.543  -1.426
  177   HG23  ILE  28          HG23      ILE  28   4.391   3.983  -1.007
  178   HD11  ILE  28          HD11      ILE  28   2.558   5.980  -3.343
  179   HD12  ILE  28          HD12      ILE  28   1.810   7.576  -3.280
  180   HD13  ILE  28          HD13      ILE  28   3.557   7.427  -3.471
  181    H    CYS  29           H        CYS  29   2.058   4.011   1.313
  182    HA   CYS  29           HA       CYS  29   2.335   2.036   2.408
  183    HB3  CYS  29           HB3      CYS  29   1.787   0.068   0.441
  184    H    VAL  30           H        VAL  30   4.215   1.107   2.882
  185    HA   VAL  30           HA       VAL  30   5.833  -0.242   0.965
  186    HB   VAL  30           HB       VAL  30   7.805   1.476   1.729
  187   HG11  VAL  30          HG11      VAL  30   8.004   1.960  -0.513
  188   HG12  VAL  30          HG12      VAL  30   7.002   0.507  -0.565
  189   HG13  VAL  30          HG13      VAL  30   6.262   2.097  -0.747
  190   HG21  VAL  30          HG21      VAL  30   7.109   3.721   1.574
  191   HG22  VAL  30          HG22      VAL  30   5.503   3.267   1.005
  192   HG23  VAL  30          HG23      VAL  30   5.966   2.955   2.677
  193    H    ASP  31           H        ASP  31   8.171  -0.540   2.058
  194    HA   ASP  31           HA       ASP  31   8.361  -0.518   4.863
  195    HB3  ASP  31           HB3      ASP  31   6.779  -2.180   5.151
  196    HA   PRO  32           HA       PRO  32  12.543  -1.447   3.921
  197    HB3  PRO  32           HB3      PRO  32  13.032  -1.010   6.122
  198    HG3  PRO  32           HG3      PRO  32  11.588  -1.660   7.825
  199    HD3  PRO  32           HD3      PRO  32  10.098  -0.598   6.425
  200    H    LYS  33           H        LYS  33  11.057  -3.173   2.493
  201    HA   LYS  33           HA       LYS  33  12.655  -5.595   2.592
  202    HB3  LYS  33           HB3      LYS  33   9.879  -6.317   2.147
  203    HG3  LYS  33           HG3      LYS  33  10.548  -7.726   4.303
  204    HD3  LYS  33           HD3      LYS  33  11.912  -8.406   1.723
  205    HE3  LYS  33           HE3      LYS  33  11.202  -9.794   4.091
  206    HZ1  LYS  33           HZ1      LYS  33  10.011 -11.201   1.815
  207    HZ2  LYS  33           HZ2      LYS  33   9.069 -10.052   2.625
  208    HZ3  LYS  33           HZ3      LYS  33   9.703 -11.374   3.469
  209    H    LYS  34           H        LYS  34  10.049  -3.808   0.994
  210    HA   LYS  34           HA       LYS  34  11.104  -4.752  -1.593
  211    HB3  LYS  34           HB3      LYS  34   8.821  -4.474  -2.499
  212    HG3  LYS  34           HG3      LYS  34   9.675  -6.579  -0.962
  213    HD3  LYS  34           HD3      LYS  34   7.761  -5.299   0.602
  214    HE3  LYS  34           HE3      LYS  34   6.174  -7.489   0.523
  215    HZ1  LYS  34           HZ1      LYS  34   5.882  -4.862  -0.797
  216    HZ2  LYS  34           HZ2      LYS  34   5.175  -5.408   0.641
  217    HZ3  LYS  34           HZ3      LYS  34   4.638  -6.008  -0.847
  218    H    GLY  35           H        GLY  35  12.550  -2.897  -1.467
  219    HA2  GLY  35           HA2      GLY  35  13.156  -0.813  -2.222
  220    HA3  GLY  35           HA3      GLY  35  11.555  -0.687  -2.937
  221    H    TRP  36           H        TRP  36  13.277   1.246  -1.416
  222    HA   TRP  36           HA       TRP  36  11.149   2.247   0.292
  223    HB3  TRP  36           HB3      TRP  36  12.542   0.872   1.801
  224    HD1  TRP  36           HD1      TRP  36  14.801  -0.288   1.190
  225    HE1  TRP  36           HE1      TRP  36  17.256   0.486   1.162
  226    HE3  TRP  36           HE3      TRP  36  14.071   4.743   1.726
  227    HZ2  TRP  36           HZ2      TRP  36  18.692   2.909   1.344
  228    HZ3  TRP  36           HZ3      TRP  36  16.038   6.219   1.789
  229    HH2  TRP  36           HH2      TRP  36  18.299   5.320   1.603