*HEADER    ANTIBIOTIC                              05-FEB-10   2KTN              
*TITLE     SPATIAL STRUCTURE OF LCH-ALPHA PEPTIDE FROM TWO-COMPONENT LANTIBIOTIC 
*TITLE    2 SYSTEM LICHENICIDIN VK21                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LICHENICIDIN PREPEPTIDE;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 44-74                                         
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS;                         
*SOURCE   3 ORGANISM_TAXID: 279010;                                              
*SOURCE   4 STRAIN: VK21                                                         
*KEYWDS    LICHENICIDIN VK21, LANTIBIOTICS, LCHA, ANTIBIOTIC, LANTHIONINE,       
*KEYWDS   2 THIOESTER                                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.S.MINEEV, Z.O.SHENKAREV, T.V.OVCHINNIKOVA, A.S.ARSENIEV             
*REVDAT   1   21-JUL-10 2KTN    0                                                


 33 ABA  HB     40 CYSS HB3     3.70            #peak     1
 40 CYSS HB3    37 MET  QB      3.80
 40 CYSS HB3    34 LYS  HA      3.90
 40 CYSS HB2    34 LYS  HA      3.80  
 36 CYSS QB     31 ABA  HB      3.20
 16 CYSS HA     18 ILE  H       4.0
 22 PRO  HA     23 LEU  H       3.11            #peak     2
 22 PRO  HA     22 PRO  HB2     2.98            #peak     3
 33 ABA  HB     40 CYSS HB2     3.80            #peak     4
 18 ILE  H      18 ILE  HG12    3.36            #peak     6
 34 LYS  H      40 CYSS HB2     3.58            #peak     7
# 40 CYSS HB2    41 ASN  H       3.85            #peak     8
 40 CYSS H      40 CYSS HB2     3.86            #peak    10
 23 LEU  HA     24 GLY  H       3.10            #peak    11
 23 LEU  H      23 LEU  HA      3.22            #peak    12
 23 LEU  HA     23 LEU  HB2     2.97            #peak    13
# 21 LYS  H      22 PRO  HD2     3.73            #peak    14
# 21 LYS  HB3    22 PRO  HD2     3.54            #peak    15
 22 PRO  HD2    22 PRO  HG3     2.73            #peak    17
 22 PRO  HD2    22 PRO  HB2     3.78            #peak    18
 12 ABA  HA     12 ABA  HB      3.11            #peak    20
 38 PRO  HD3    38 PRO  HB3     3.48            #peak    21
 38 PRO  HD3    38 PRO  QG      2.78            #peak    23
 38 PRO  HD3    39 SER  H       4.20            #peak    24
 38 PRO  HD3    38 PRO  HB2     4.03            #peak    25
 35 GLU  H      37 MET  H       4.01            #peak    39
 36 CYSS H      37 MET  H       2.54            #peak    44
 17 ALA  HA     17 ALA  QB      2.86            #peak    45
 17 ALA  HA     18 ILE  H       3.31            #peak    46
 17 ALA  H      17 ALA  HA      3.81            #peak    47
 12 ABA  H      12 ABA  QG      3.66            #peak    53
 17 ALA  QB     18 ILE  H       3.32            #peak    55
 17 ALA  H      17 ALA  QB      2.74            #peak    56
 31 ABA  H      31 ABA  HB      3.87            #peak    57
 21 LYS  QD     21 LYS  QE      2.92            #peak    59
 21 LYS  HG2    21 LYS  QE      3.61            #peak    61
 24 GLY  H      24 GLY  HA3     2.98            #peak    62
 24 GLY  HA3    25 ASN  H       3.58            #peak    63
 13 LEU  HA     13 LEU  HB2     3.05            #peak    64
 13 LEU  HA     14 DHA  H       2.80 100           #peak    65
 13 LEU  HA     13 LEU  HB3     3.19            #peak    66
 13 LEU  H      13 LEU  HA      3.44            #peak    67
 18 ILE  HA     18 ILE  HG12    3.77            #peak    68
 18 ILE  HA     19 LEU  H       3.42            #peak    69
 18 ILE  H      18 ILE  HA      3.40            #peak    70
 18 ILE  HA     18 ILE  HB      3.20            #peak    71
 13 LEU  HG     14 DHA  H       4.26            #peak    72
 13 LEU  H      13 LEU  HG      3.78            #peak    73
 #41 ASN  H      41 ASN  HB2     3.58            #peak    74
 11 ILE  H      11 ILE  HG13    4.43            #peak    78
 38 PRO  HB3    39 SER  H       3.39            #peak    81
 34 LYS  H      35 GLU  H       3.19            #peak    85
 19 LEU  H      19 LEU  HB2     2.70            #peak    94
 15 DHB  HB     19 LEU  HB2     4.02            #peak    95
# 19 LEU  HB2    20 DAL  H       3.26            #peak    97
 33 ABA  QG     34 LYS  H       3.87            #peak    98
# 33 ABA  QG     41 ASN  H       4.78            #peak    99
 33 ABA  H      33 ABA  QG      3.21            #peak   100
 18 ILE  H      19 LEU  H       2.65            #peak   108
 17 ALA  H      18 ILE  H       2.94            #peak   112
 27 GLY  H      27 GLY  HA2     2.98            #peak   122
 27 GLY  HA2    28 TYR  H       3.22            #peak   123
 34 LYS  HB2    35 GLU  H       3.87            #peak   124
 34 LYS  H      34 LYS  HB2     2.86            #peak   125
 32 VAL  HB     33 ABA  H       3.73            #peak   126
 32 VAL  H      32 VAL  HB      3.08            #peak   128
 39 SER  H      39 SER  HB3     3.20            #peak   129
 39 SER  HB3    40 CYSS H       4.23            #peak   130
 36 CYSS QB     37 MET  H       3.09            #peak   131
 36 CYSS H      36 CYSS QB      2.89            #peak   133
# 21 LYS  H      21 LYS  HB3     3.25            #peak   136
 39 SER  H      39 SER  HA      3.32            #peak   141
 39 SER  HA     40 CYSS H       3.55            #peak   142
 26 ASN  HB2    26 ASN  HD21    3.26            #peak   145
 26 ASN  HB2    26 ASN  HD22    3.88            #peak   147
 21 LYS  H      20 DAL  HA      2.93            #peak   148
 30 CYSS HA     31 ABA  H       2.77            #peak   149
 30 CYSS HA     30 CYSS HB2     2.76            #peak   150
 30 CYSS HA     30 CYSS HB3     5.50            #peak   151
 27 GLY  H      28 TYR  H       2.92            #peak   156
 19 LEU  H      20 CYSS H       3.11            #peak   181
 19 LEU  H      19 LEU  HB3     3.27            #peak   189
 37 MET  HA     38 PRO  HD3     2.76            #peak   196
 37 MET  H      37 MET  HA      3.37            #peak   199
 36 CYSS QB     37 MET  HA      5.50            #peak   200
 37 MET  HA     38 PRO  HD2     2.98            #peak   201
 37 MET  HA     39 SER  H       5.50            #peak   203
 38 PRO  HD2    38 PRO  HB3     3.36            #peak   205
 38 PRO  HD2    38 PRO  QG      2.79            #peak   207
 38 PRO  HD2    39 SER  H       3.59            #peak   208
 38 PRO  HD2    38 PRO  HB2     4.29            #peak   209
 25 ASN  HB3    25 ASN  HD22    4.04            #peak   214
 25 ASN  H      25 ASN  HB3     3.03            #peak   215
 25 ASN  HB3    25 ASN  HD21    3.61            #peak   217
 29 LEU  HA     30 CYSS H       2.93            #peak   223
 29 LEU  H      29 LEU  HA      3.46            #peak   224
 26 ASN  HA     26 ASN  HB2     5.50            #peak   225
 26 ASN  HA     26 ASN  HB3     5.50            #peak   227
 26 ASN  H      26 ASN  HA      2.77            #peak   228
 24 GLY  H      24 GLY  HA2     2.96            #peak   230
 24 GLY  HA2    25 ASN  H       3.38            #peak   231
 38 PRO  QG     39 SER  H       3.35            #peak   243
 28 TYR  H      28 TYR  HA      3.18            #peak   254
 28 TYR  HA     29 LEU  H       2.89            #peak   256
 15 DHB  HB     18 ILE  QD1     4.38            #peak   258
 22 PRO  HB3    23 LEU  H       3.71            #peak   259
 #31 ABA  HA     31 ABA  HB      2.61            #peak   264
 31 ABA  H      31 ABA  HA      3.60            #peak   265
 31 ABA  HA     31 ABA  QG      2.82            #peak   266
 31 ABA  HA     32 VAL  H       3.49            #peak   267
 13 LEU  HB2    14 DHA  H       3.36   100         #peak   269
 32 VAL  H      32 VAL  QG2     3.21            #peak   270
 35 GLU  H      35 GLU  HA      3.34            #peak   271
 35 GLU  HA     35 GLU  QG      2.61            #peak   272
 35 GLU  HA     36 CYSS H       4.23            #peak   273
 35 GLU  HA     35 GLU  QB      3.40            #peak   274
 35 GLU  H      35 GLU  QG      2.70            #peak   275
 35 GLU  QG     36 CYSS H       3.41            #peak   278
 18 ILE  HB     19 LEU  H       3.72            #peak   287
 18 ILE  H      18 ILE  HB      3.12            #peak   289
 15 DHB  HB     18 ILE  HB      4.39            #peak   290
 11 ILE  H      11 ILE  HG12    3.60            #peak   291
 39 SER  H      39 SER  HB2     3.64            #peak   292
 39 SER  HB2    40 CYSS H       4.52            #peak   293
 19 LEU  H      19 LEU  HA      3.31            #peak   299
 19 LEU  HA     19 LEU  HB2     2.75            #peak   300
 19 LEU  HA     19 LEU  HB3     3.04            #peak   301
 19 LEU  HA     20 DAL  H       2.80            #peak   302
# 21 LYS  H      21 LYS  HB2     3.37            #peak   303
 30 CYSS H      30 CYSS HB2     3.14            #peak   306
 28 TYR  QD     28 TYR  QE      2.45            #peak   307
 34 LYS  HA     37 MET  H       3.37            #peak   319
 34 LYS  HA     35 GLU  H       3.77            #peak   320
 34 LYS  H      34 LYS  HA      3.31            #peak   321
 34 LYS  HA     36 CYSS H       4.20            #peak   322
 34 LYS  HA     34 LYS  HB3     2.88            #peak   323
 31 ABA  H      31 ABA  QG      3.39            #peak   324
 31 ABA  QG     32 VAL  H       4.15            #peak   326
 26 ASN  HD22   26 ASN  HD21    2.40            #peak   328
 21 LYS  H      21 LYS  HA      3.32            #peak   334
 21 LYS  HA     21 LYS  HB3     3.07            #peak   335
 21 LYS  HA     21 LYS  HB2     2.94            #peak   336
 21 LYS  HA     21 LYS  HG3     3.59            #peak   339
 21 LYS  HA     21 LYS  HG2     3.57            #peak   340
 35 GLU  H      36 CYSS H       3.17            #peak   342
 18 ILE  H      20 DAL  HA      4.85            #peak   349
 18 IE   H      30 CYS  HA      0.00
 20 DAL  H      20 DAL  HA      2.90            #peak   350
 30 CYSS H      30 CYSS HA      0.00
 16 CYSS QB     17 ALA  H       4.09            #peak   351
 16 CYSS H      16 CYSS QB      2.90            #peak   352
 40 CYSS H      40 CYSS HB3     2.79            #peak   357
 14 DHA  H      14 DHA  HB3     3.65            #peak   358
 33 ABA  H      34 LYS  H       4.75            #peak   363
# 21 LYS  H      22 PRO  HD3     3.66            #peak   367
# 21 LYS  HB3    22 PRO  HD3     3.60            #peak   368
 22 PRO  HD3    22 PRO  HB3     2.76            #peak   369
 22 PRO  HD3    22 PRO  HB2     3.80            #peak   371
 39 SER  H      40 CYSS H       2.93            #peak   382
 23 LEU  HB3    24 GLY  H       3.69            #peak   384
 23 LEU  H      23 LEU  HB3     3.07            #peak   385
 30 CYSS H      30 CYSS HB3     2.40            #peak   387
 30 CYSS HB3    31 ABA  H       3.54            #peak   388
 32 VAL  HA     32 VAL  HB      3.31            #peak   389
 32 VAL  HA     33 ABA  H       2.54            #peak   390
 32 VAL  H      32 VAL  HA      3.05            #peak   391
 34 LYS  H      34 LYS  QG      3.12            #peak   393
 34 LYS  QG     40 CYSS H       4.12            #peak   394
 25 ASN  HB2    25 ASN  HD22    3.56            #peak   400
 25 ASN  HB2    25 ASN  HD21    3.28            #peak   402
 25 ASN  HA     25 ASN  HB3     3.17            #peak   403
 25 ASN  H      25 ASN  HA      3.55            #peak   404
 25 ASN  HA     25 ASN  HB2     5.50            #peak   405
 25 ASN  HA     25 ASN  HD21    5.00            #peak   406
 25 ASN  HA     26 ASN  H       3.06            #peak   407
 41 ASN  HD21   41 ASN  HD22    2.40            #peak   408
 38 PRO  HA     38 PRO  HB3     3.09            #peak   410
 38 PRO  HA     38 PRO  QG      3.15            #peak   411
 38 PRO  HA     39 SER  H       4.12            #peak   412
 34 LYS  HA     40 CYSS H       3.62            #peak   413
 38 PRO  HA     38 PRO  HB2     2.90            #peak   414
 #23 LEU  QD2    27 GLY  H       3.72            #peak   415
 16 CYSS H      16 CYSS HA      3.50            #peak   417
 13 LEU  QD2    14 DHA  H       5.26            #peak   418
 13 LEU  H      13 LEU  QD2     4.54            #peak   419
# 41 ASN  H      41 ASN  HB3     3.27            #peak   420
 #41 ASN  HB3    41 ASN  HD21    3.60            #peak   421
 25 ASN  HD21   25 ASN  HD22    2.40            #peak   423
 14 DHA  H      14 DHA  HB2     5.26            #peak   426
 14 DHA  HB2    14 DHA  HB3     2.40            #peak   427
 14 DHA  HB2    15 DHB  H       3.11            #peak   428
 14 DHA  HB2    15 DHB  QG      3.86            #peak   429
 33 ABA  HA     35 GLU  H       3.99            #peak   430
 33 ABA  HA     34 LYS  H       2.66            #peak   431
 33 ABA  H      33 ABA  HA      3.33            #peak   432
# 33 ABA  HA     33 ABA  HB      2.77            #peak   433
 11 ILE  HA     12 ABA  H       2.88            #peak   434
 11 ILE  H      11 ILE  HA      3.90            #peak   435
 11 ILE  HA     13 LEU  H       4.50            #peak   436
 40 CYSS HA     40 CYSS HB2     2.98            #peak   437
 40 CYSS HA     41 ASN  H       2.78            #peak   438
 40 CYSS HA     40 CYSS HB3     2.99            #peak   439
 40 CYSS H      40 CYSS HA      3.38            #peak   440
 13 LEU  H      13 LEU  HB3     2.95            #peak   442
 23 LEU  HB2    24 GLY  H       3.39            #peak   450
 11 ILE  H      11 ILE  HB      3.57            #peak   451
 18 ILE  QG2    19 LEU  H       3.44            #peak   452
 18 ILE  H      18 ILE  QG2     3.42            #peak   453
 18 ILE  H      18 ILE  QD1     0.00
 18 ILE  H      19 LEU  QQD     0.00
 15 DHB  HB     18 ILE  QG2     3.98            #peak   454
 34 LYS  HD2    40 CYSS H       4.28            #peak   458
 15 DHB  H      15 DHB  HB      4.56            #peak   459
 15 DHB  H      16 CYSS H       3.35            #peak   460
 14 DHA  HB3    15 DHB  H       4.15            #peak   461
 15 DHB  H      15 DHB  QG      3.01            #peak   463
 27 GLY  H      27 GLY  HA3     2.97            #peak   464
 27 GLY  HA3    28 TYR  H       3.39            #peak   465
 34 LYS  H      34 LYS  HB3     3.69            #peak   468
 34 LYS  H      35 GLU  QG      4.54
 33 ABA  HB     34 LYS  H       2.75    100           #peak   470
# 33 ABA  HB     41 ASN  H       4.39            #peak   471
 33 ABA  H      33 ABA  HB      3.73            #peak   472
 35 GLU  H      35 GLU  QB      3.21            #peak   474
 35 GLU  QB     36 CYSS H       3.75            #peak   476
# 40 CYSS H      41 ASN  H       3.62            #peak   481
 29 LEU  H      29 LEU  QB      2.72            #peak   492
 26 ASN  HB3    26 ASN  HD21    3.47            #peak   495
 26 ASN  HB3    26 ASN  HD22    3.80            #peak   497
 26 ASN  H      26 ASN  HB3     3.12            #peak   498
 12 ABA  H      13 LEU  H       2.95            #peak   501
 21 LYS  HG3    21 LYS  QE      3.61            #peak   506
 38 PRO  HB2    39 SER  H       4.70            #peak   512
 18 ILE  H      18 ILE  HG13    3.32            #peak   514
 36 CYSS H      36 CYSS HA      3.79            #peak   517
 11 ILE  H      11 ILE  QG2     4.42            #peak   518
 15 DHB  QG     15 DHB  HB      2.77            #peak   519
 14 DHA  H      17 ALA  H       5.50
 16 CYSS QB     12 ABA  HB      3.80

10 OXB Q4 28 TYR QR  5.0
12 ABA HA 28 TYR QR  5.0
17 ALA QB 28 TYR QR  5.0
18 ILE QD1 28 TYR QR 5.0
13 LEU H  14 DHA H   3.0
15 DHB H  13 LEU QQD 3.5
15 DHB H  13 LEU HG  3.5
15 DHB H  19 LEU HB3 3.5
14 DHA H  12 ABA HA  3.5
14 DHA H  12 ABA QG  3.5
14 DHA H  13 LEU QQD 3.5
14 DHA H  12 ABA H   3.5
34 LYS H  40 CYSS H  3.0
34 LYS H  40 CYSS HA 3.5
14 DHA H  15 DHB H   3.5
11 ILE H  13 LEU QQD 3.5
20 DAL H  18 ILE HA  3.5
27 GLY H  22 PRO HB2 3.5
17 ALA H  12 ABA QG  3.5
31 ABA H  19 LEU HG  3.5
31 ABA H  32 VAL QG2 3.5
13 LEU H  12 ABA QG  3.5
40 CYSS H 34 LYS HD2 3.5
39 SER  H 34 LYS HD2 3.5
23 LEU  H 27 GLY HA2 3.5
16 CYSS H 12 ABA HB  3.5
28 TYR  H 18 ILE HA  3.5
13 LEU  H 12 ABA HB  3.5
19 LEU  H 15 DHB HB  3.5
41 ASN  H 39 SER  H  3.5
17 ALA  H 15 DHB HB  3.5
16 CYSS H 15 DHB HB  3.5
18 ILE  H 15 DHB HB  3.5
19 LEU  H 15 DHB HB  3.5
19 LEU  H 15 DHB H   3.5
15 DHB H 14 DHA H    3.5
30 CYSS HB2 21 LYS HG2  3.5
26 ASN HB3 22 PRO  HB2 3.5
41 ASN HB2 39 SER HB3 3.5
38 PRO HB2 39 SER HB2 3.5
39 SER HB2 34 LYS HE2 3.5
28 TYR HB3 18 ILE HA  3.5
22 PRO HB2 27 GLY HA2 3.5
22 PRO HB2 26 ASN HB3 3.5
37 MET QB  40 CYSS HA 3.0
22 PRO HB3 27 GLY HA2 3.5 
22 PRO HG2 27 GLY HA2 3.5
21 LYS HB3 17 ALA HA  3.5
19 LEU HG  31 ABA HA  3.5
23 LEU HG  33 ABA HA  3.5
23 LEU HG  24 GLY HA3 3.5
17 ALA QB  27 GLY HA2 3.5
17 ALA QB  27 GLY HA3 3.5
21 LYS HG2 30 CYSS HA 3.5
21 LYS HG2 30 CYSS HB2 3.5
12 ABA QG  27 GLY HA2 3.5
32 VAL QG2 17 ALA HA 3.5
11 ILE QG2 27 GLY HA3 3.5
22 PRO HB2 12 ABA QG 3.5
22 PRO HG2 12 ABA QG 3.5
29 LEU HG  31 ABA QG 3.5
14 DHA HB2 19 LEU HB3 3.5
14 DHA HB2 19 LEU QQD 3.5
17 ALA HA  21 LYS HA  3.5
34 LYS HD2 39 SER HA  3.5
34 LYS HD3 39 SER HA  3.5
17 ALA HA  21 LYS HG3  3.5
17 ALA HA  31 ABA QG  3.5
17 ALA QB  24 GLY HA3 3.5
11 ILE QG2 12 ABA HB  3.5
34 LYS H HA  4.0 1.0
35 GLU H HA  5.0 0.7
11 ILE H HA  6.0 1.0
41 ASN H HA  8.5 0.2
12 ABA H HA  9.2 0.2
29 LEU H HA  2.5 3.0
33 ABA H HA  7.5 1.5
31 ABA H HA  2.5 3.0
37 MET H HA  9.8 0.8
13 LEU H HA  8.0 0.5
19 LEU H HA  7.2 0.5
32 VAL H HA  9.0 0.5
40 CYSS H HA 6.6 2.5
18 ILE H HA  8.0 0.2
39 SER H HA  7.8 0.4
36 CYSS H HA 10.8 0.3

  10 OXB   CHI1   -315.0   -45.0
  10 OXB   CHI1   -115.0   115.0
  10 OXB   PSI    -182.0  -178.0
  11 ILE   PHI     -75.0   -55.0
  11 ILE   CHI1   -315.0   -35.0
  11 ILE   CHI1   -195.0    75.0
  11 ILE   CHI1    -65.0   195.0
  11 ILE   PSI      55.0   195.0
  12 ABA   PHI     105.0   145.0
  12 ABA   CHI1     30.0    60.0
  13 LEU   PHI     -30.0   -90.0
  13 LEU   CHI1    -90.0   -30.0 100
#13 LEU   PSI     150.0   300.0 
13 LEU   PSI     130.0   180.0 
 14 DHA   PHI     120.0    140.0  
 14 DHA   PSI    -275.0   -85.0
  14 DHA   PSI    -135.0   135.0
  15 DHB   PHI    -315.0   -45.0
  15 DHB   PHI    -125.0   125.0
  15 DHB   PSI    -125.0   125.0
  16 CYSS  PHI     -85.0   -45.0
  16 CYSS  PSI     -85.0   195.0
  17 ALA   PHI      45.0   305.0
  17 ALA   PHI    -185.0    65.0
  17 ALA   PSI     -25.0    85.0
  18 ILE   PHI     -95.0   -85.0
  18 ILE   CHI1    -65.0   -45.0
  18 ILE   PSI     -45.0   -25.0
  19 LEU   PHI     -95.0   -75.0
  20 DAL   PHI    -315.0   -45.0
  20 DAL   PHI     -65.0   185.0
  20 DAL   PSI    -195.0    75.0
  21 LYS   CHI1     45.0    75.0
  23 LEU   PHI    -315.0   -45.0
  23 LEU   PHI    -185.0    65.0
  23 LEU   CHI1   -325.0   -25.0
  23 LEU   CHI1   -155.0    95.0
  23 LEU   PSI     135.0   195.0
  24 GLY   PHI    -315.0   -45.0
  25 ASN   PHI    -315.0   -45.0
  25 ASN   PHI    -185.0    65.0
  25 ASN   CHI1   -325.0   -15.0
  25 ASN   CHI1   -215.0    95.0
  25 ASN   PSI       5.0   195.0
  26 ASN   PHI    -315.0   -45.0
  26 ASN   PHI    -185.0    65.0
  26 ASN   PHI     -95.0   215.0
  26 ASN   CHI1   -325.0   -25.0
  26 ASN   CHI1   -215.0    95.0
  26 ASN   PSI    -345.0    -5.0
  26 ASN   PSI     -85.0   195.0
  27 GLY   PHI    -315.0   -45.0
  27 GLY   PSI    -275.0    35.0
  27 GLY   PSI     -95.0    95.0
  27 GLY   PSI     -35.0   275.0
  28 TYR   PHI    -115.0   -55.0
  28 TYR   CHI1   -210.0  -150.0
  28 TYR   PSI    -175.0  -165.0
  29 LEU   PHI    -185.0   -45.0
  29 LEU   PHI     -75.0   195.0
  29 LEU   CHI1     25.0   325.0
  29 LEU   CHI1   -215.0    95.0
  29 LEU   PSI      25.0   195.0
  30 CYSS  PHI     -95.0   -85.0
  30 CYSS  PSI    -175.0  -165.0
  31 ABA   PHI      45.0    75.0
  31 ABA   PSI       5.0   335.0
  31 ABA   PSI    -195.0    75.0
  32 VAL   PHI    -145.0   -85.0
  32 VAL   CHI1   -195.0  -165.0
  32 VAL   PSI     145.0   155.0
  33 ABA   PHI      65.0   155.0
  33 ABA   PHI    -225.0   105.0
  34 LYS   PHI     -55.0   -15.0 
  34 LYS   CHI1   -205.0  -115.0
  35 GLU   PHI    -185.0   -55.0
  35 GLU   PHI     -75.0   195.0
  35 GLU   CHI1   -325.0   -35.0
  35 GLU   CHI1   -205.0    85.0
  36 CYSS  PHI    -125.0  -105.0
  37 MET   PHI    -145.0   -95.0
  39 SER   PHI    -165.0   -75.0
  39 SER   PHI     -95.0   215.0
  39 SER   PSI     -85.0    55.0
  41 ASN   PHI    -155.0   -85.0
  41 ASN   PHI    -105.0   225.0
  41 ASN   CHI1   -325.0   -15.0
  41 ASN   CHI1   -215.0    95.0
 12 ABA  SG     16 CYSS SG      0.01  9.00E+00
 12 ABA  CB     16 CYSS CB      3.19  9.00E+00
 20 DAL  SG     30 CYSS SG      0.01  9.00E+00
 20 DAL  CB     30 CYSS CB      3.19  9.00E+00
 31 ABA  SG     36 CYSS SG      0.01  9.00E+00
 31 ABA  CB     36 CYSS CB      3.19  9.00E+00
 33 ABA  SG     40 CYSS SG      0.01  9.00E+00
 33 ABA  CB     40 CYSS CB      3.19  9.00E+00
 12 ABA  CB     16 CYSS CB      3.18  9.00E+00
 20 DAL  CB     30 CYSS CB      3.18  9.00E+00
 31 ABA  CB     36 CYSS CB      3.18  9.00E+00
 33 ABA  CB     40 CYSS CB      3.18  9.00E+00
 12 ABA  CB     16 CYSS CB      3.18  9.00E+00
 20 DAL  CB     30 CYSS CB      3.18  9.00E+00
 31 ABA  CB     36 CYSS CB      3.18  9.00E+00
 33 ABA  CB     40 CYSS CB      3.18  9.00E+00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H41  2KT   1           2H4      2KT   1  11.035  12.417  16.284
    2    H42  2KT   1           3H4      2KT   1  11.785  11.395  15.482
    3    H43  2KT   1           1H4      2KT   1  10.285  11.419  15.452
    4    H31  2KT   1           2H3      2KT   1  10.851   9.784  16.598
    5    H32  2KT   1           3H3      2KT   1  11.948  10.458  17.368
    6    H    ILE   2           H        ILE   2   8.403  11.323  19.745
    7    HA   ILE   2           HA       ILE   2   7.087   8.842  19.279
    8    HB   ILE   2           HB       ILE   2   5.221   9.941  20.646
    9   HG12  ILE   2          2HG1      ILE   2   7.338  11.996  21.255
   10   HG13  ILE   2          3HG1      ILE   2   6.104  12.277  20.031
   11   HG21  ILE   2          1HG2      ILE   2   7.947   9.202  21.476
   12   HG22  ILE   2          2HG2      ILE   2   6.991  10.071  22.676
   13   HG23  ILE   2          3HG2      ILE   2   6.388   8.561  21.993
   14   HD11  ILE   2          3HD1      ILE   2   4.948  11.363  22.513
   15   HD12  ILE   2          1HD1      ILE   2   5.918  12.819  22.735
   16   HD13  ILE   2          2HD1      ILE   2   4.597  12.808  21.565
   17    HN2  DB2   3           H        DB2   3   4.498   9.145  19.067
   18    HA   DB2   3           HA       DB2   3   4.063  10.681  16.584
   19   HB2C  DB2   3          HB        DB2   3   2.014   9.877  18.642
   20   HG1C  DB2   3          3HG       DB2   3   2.355  11.813  19.740
   21   HG2C  DB2   3          1HG       DB2   3   2.602  12.729  18.251
   22   HG3C  DB2   3          2HG       DB2   3   3.926  11.790  18.938
   23    H    LEU   4           H        LEU   4   4.957   7.807  17.219
   24    HA   LEU   4           HA       LEU   4   4.290   6.466  15.043
   25    HB2  LEU   4           2HB      LEU   4   4.504   5.495  17.857
   26    HB3  LEU   4           3HB      LEU   4   4.062   4.363  16.581
   27    HG   LEU   4           HG       LEU   4   6.236   5.305  15.437
   28   HD11  LEU   4          1HD1      LEU   4   6.360   6.366  18.156
   29   HD12  LEU   4          2HD1      LEU   4   7.257   6.832  16.711
   30   HD13  LEU   4          3HD1      LEU   4   7.794   5.458  17.676
   31   HD21  LEU   4          3HD2      LEU   4   6.951   3.237  15.826
   32   HD22  LEU   4          1HD2      LEU   4   5.573   3.034  16.908
   33   HD23  LEU   4          2HD2      LEU   4   7.129   3.557  17.552
   34    H    DHA   5           H        DHA   5   2.585   5.758  14.031
   35    HB1  DHA   5           2HB      DHA   5   0.616   3.869  15.860
   36    HB2  DHA   5           3HB      DHA   5  -0.995   4.228  14.993
   37    H1   DBU   6           H        DBU   6  -0.847   7.333  15.197
   38    HB1  DBU   6           HB       DBU   6  -3.070   8.321  11.950
   39    HG1  DBU   6           3HG      DBU   6  -2.424   5.709  13.434
   40    HG2  DBU   6           1HG      DBU   6  -2.137   5.744  11.702
   41    HG3  DBU   6           2HG      DBU   6  -3.774   5.971  12.325
   42    H    CYS   7           H        CYS   7   0.523   9.286  14.181
   43    HA   CYS   7           HA       CYS   7  -0.609  11.893  14.571
   44    HB2  CYS   7           2HB      CYS   7   2.230  10.867  14.696
   45    HB3  CYS   7           3HB      CYS   7   1.782  12.532  15.052
   46    H    ALA   8           H        ALA   8   2.221  10.953  12.619
   47    HA   ALA   8           HA       ALA   8   2.019  13.242  10.946
   48    HB1  ALA   8           1HB      ALA   8   3.553  10.730  10.325
   49    HB2  ALA   8           2HB      ALA   8   3.882  12.372   9.771
   50    HB3  ALA   8           3HB      ALA   8   4.120  11.949  11.467
   51    H    ILE   9           H        ILE   9   0.063  10.634  11.087
   52    HA   ILE   9           HA       ILE   9  -0.264  10.175   8.247
   53    HB   ILE   9           HB       ILE   9  -1.877   9.172  10.595
   54   HG12  ILE   9          2HG1      ILE   9   0.650   8.468   9.998
   55   HG13  ILE   9          3HG1      ILE   9  -0.523   7.342  10.671
   56   HG21  ILE   9          1HG2      ILE   9  -3.214   9.265   8.554
   57   HG22  ILE   9          2HG2      ILE   9  -1.976   8.348   7.697
   58   HG23  ILE   9          3HG2      ILE   9  -2.872   7.598   9.017
   59   HD11  ILE   9          3HD1      ILE   9   0.001   7.668   7.729
   60   HD12  ILE   9          1HD1      ILE   9   0.771   6.454   8.751
   61   HD13  ILE   9          2HD1      ILE   9  -0.977   6.428   8.514
   62    H    LEU  10           H        LEU  10  -1.946  11.858  10.847
   63    HA   LEU  10           HA       LEU  10  -4.139  12.632   9.127
   64    HB2  LEU  10           2HB      LEU  10  -4.099  12.196  11.718
   65    HB3  LEU  10           3HB      LEU  10  -3.628  13.893  11.780
   66    HG   LEU  10           HG       LEU  10  -6.068  13.138  10.242
   67   HD11  LEU  10          1HD1      LEU  10  -5.753  12.330  12.887
   68   HD12  LEU  10          2HD1      LEU  10  -7.265  12.476  11.991
   69   HD13  LEU  10          3HD1      LEU  10  -6.689  13.822  12.974
   70   HD21  LEU  10          3HD2      LEU  10  -6.679  15.372  11.539
   71   HD22  LEU  10          1HD2      LEU  10  -5.757  15.382  10.036
   72   HD23  LEU  10          2HD2      LEU  10  -4.922  15.524  11.583
   73    H    DAL  11           H        DAL  11  -1.526  13.449   8.265
   74    HA   DAL  11           HA       DAL  11  -0.686  15.278   7.188
   75    HB2  DAL  11           2HB      DAL  11  -0.481  17.222   9.088
   76    HB3  DAL  11           3HB      DAL  11   0.658  15.892   8.884
   77    H    LYS  12           H        LYS  12  -0.946  17.959   7.406
   78    HA   LYS  12           HA       LYS  12  -3.227  18.571   5.977
   79    HB2  LYS  12           2HB      LYS  12  -4.457  19.915   7.784
   80    HB3  LYS  12           3HB      LYS  12  -4.662  18.168   7.789
   81    HG2  LYS  12           2HG      LYS  12  -3.254  17.902   9.652
   82    HG3  LYS  12           3HG      LYS  12  -2.623  19.544   9.509
   83    HD2  LYS  12           2HD      LYS  12  -5.519  18.953  10.077
   84    HD3  LYS  12           3HD      LYS  12  -4.315  19.146  11.353
   85    HE2  LYS  12           2HE      LYS  12  -5.389  21.165   9.432
   86    HE3  LYS  12           3HE      LYS  12  -5.189  21.279  11.179
   87    HZ1  LYS  12           3HZ      LYS  12  -2.710  21.184  10.677
   88    HZ2  LYS  12           1HZ      LYS  12  -3.521  22.623  10.309
   89    HZ3  LYS  12           2HZ      LYS  12  -3.131  21.533   9.076
   90    HA   PRO  13           HA       PRO  13  -0.561  22.080   5.523
   91    HB2  PRO  13           2HB      PRO  13  -2.118  23.452   3.773
   92    HB3  PRO  13           3HB      PRO  13  -1.160  22.043   3.305
   93    HG2  PRO  13           2HG      PRO  13  -4.077  22.219   3.954
   94    HG3  PRO  13           3HG      PRO  13  -3.273  21.333   2.645
   95    HD2  PRO  13           2HD      PRO  13  -4.114  20.127   4.920
   96    HD3  PRO  13           3HD      PRO  13  -2.680  19.583   4.024
   97    H    LEU  14           H        LEU  14  -0.415  24.174   6.279
   98    HA   LEU  14           HA       LEU  14  -0.848  25.827   7.802
   99    HB2  LEU  14           2HB      LEU  14  -2.535  27.293   7.136
  100    HB3  LEU  14           3HB      LEU  14  -2.066  26.457   5.657
  101    HG   LEU  14           HG       LEU  14  -4.377  25.377   7.181
  102   HD11  LEU  14          1HD1      LEU  14  -5.908  26.972   6.451
  103   HD12  LEU  14          2HD1      LEU  14  -4.768  27.686   5.311
  104   HD13  LEU  14          3HD1      LEU  14  -4.554  27.935   7.043
  105   HD21  LEU  14          3HD2      LEU  14  -4.611  25.771   4.316
  106   HD22  LEU  14          1HD2      LEU  14  -4.753  24.294   5.271
  107   HD23  LEU  14          2HD2      LEU  14  -3.165  24.858   4.750
  108    H    GLY  15           H        GLY  15  -3.195  26.736   8.984
  109    HA2  GLY  15           2HA      GLY  15  -3.656  24.577  10.901
  110    HA3  GLY  15           3HA      GLY  15  -4.026  26.277  11.145
  111    H    ASN  16           H        ASN  16  -5.147  23.245   9.878
  112    HA   ASN  16           HA       ASN  16  -7.808  24.448   9.482
  113    HB2  ASN  16           2HB      ASN  16  -6.552  23.580   7.399
  114    HB3  ASN  16           3HB      ASN  16  -6.889  21.973   8.037
  115   HD21  ASN  16          1HD2      ASN  16  -7.821  23.039   5.577
  116   HD22  ASN  16          2HD2      ASN  16  -9.546  23.093   5.653
  117    H    ASN  17           H        ASN  17  -6.377  23.021  11.779
  118    HA   ASN  17           HA       ASN  17  -8.602  21.734  12.871
  119    HB2  ASN  17           2HB      ASN  17  -8.327  19.930  11.351
  120    HB3  ASN  17           3HB      ASN  17  -6.581  19.904  11.580
  121   HD21  ASN  17          1HD2      ASN  17  -7.559  17.561  11.819
  122   HD22  ASN  17          2HD2      ASN  17  -7.775  17.060  13.459
  123    H    GLY  18           H        GLY  18  -5.296  20.473  13.023
  124    HA2  GLY  18           2HA      GLY  18  -3.686  21.377  14.637
  125    HA3  GLY  18           3HA      GLY  18  -5.047  21.691  15.703
  126    H    TYR  19           H        TYR  19  -5.186  18.744  13.977
  127    HA   TYR  19           HA       TYR  19  -5.359  17.137  16.231
  128    HB2  TYR  19           2HB      TYR  19  -5.870  16.680  13.679
  129    HB3  TYR  19           3HB      TYR  19  -4.256  15.981  13.706
  130    HD1  TYR  19           HD2      TYR  19  -7.518  15.832  15.507
  131    HD2  TYR  19           HD1      TYR  19  -3.980  13.768  14.356
  132    HE1  TYR  19           HE2      TYR  19  -8.445  13.745  16.421
  133    HE2  TYR  19           HE1      TYR  19  -4.897  11.675  15.267
  134    HH   TYR  19           HH       TYR  19  -6.767  11.176  17.208
  135    H    LEU  20           H        LEU  20  -3.736  15.046  16.204
  136    HA   LEU  20           HA       LEU  20  -1.311  16.079  17.326
  137    HB2  LEU  20           2HB      LEU  20  -2.796  13.867  17.782
  138    HB3  LEU  20           3HB      LEU  20  -1.511  13.190  16.784
  139    HG   LEU  20           HG       LEU  20  -1.194  14.614  19.424
  140   HD11  LEU  20          1HD1      LEU  20  -0.474  12.498  20.266
  141   HD12  LEU  20          2HD1      LEU  20  -0.545  11.774  18.659
  142   HD13  LEU  20          3HD1      LEU  20  -2.032  12.266  19.470
  143   HD21  LEU  20          3HD2      LEU  20   1.198  14.053  19.191
  144   HD22  LEU  20          1HD2      LEU  20   0.648  15.211  17.979
  145   HD23  LEU  20          2HD2      LEU  20   0.890  13.521  17.537
  146    H    CYS  21           H        CYS  21  -1.317  16.908  14.750
  147    HA   CYS  21           HA       CYS  21   0.376  15.078  13.225
  148    HB2  CYS  21           2HB      CYS  21  -1.578  17.000  12.525
  149    HB3  CYS  21           3HB      CYS  21  -0.040  17.599  11.912
  150    HN2  DB2  22           H        DB2  22   1.837  16.913  11.749
  151    HA   DB2  22           HA       DB2  22   3.296  18.697  13.456
  152   HB2C  DB2  22          HB        DB2  22   4.049  17.651  10.733
  153   HG1C  DB2  22          3HG       DB2  22   1.891  18.574  10.508
  154   HG2C  DB2  22          1HG       DB2  22   2.998  19.839   9.968
  155   HG3C  DB2  22          2HG       DB2  22   2.270  19.929  11.571
  156    H    VAL  23           H        VAL  23   3.811  15.458  12.155
  157    HA   VAL  23           HA       VAL  23   6.266  15.250  13.767
  158    HB   VAL  23           HB       VAL  23   4.284  12.994  13.561
  159   HG11  VAL  23          1HG1      VAL  23   5.555  12.512  15.811
  160   HG12  VAL  23          2HG1      VAL  23   6.265  12.071  14.257
  161   HG13  VAL  23          3HG1      VAL  23   6.787  13.540  15.081
  162   HG21  VAL  23          3HG2      VAL  23   3.724  13.669  15.972
  163   HG22  VAL  23          1HG2      VAL  23   4.389  15.245  15.542
  164   HG23  VAL  23          2HG2      VAL  23   2.999  14.605  14.666
  165    HN2  DB2  24           H        DB2  24   7.861  13.907  12.976
  166    HA   DB2  24           HA       DB2  24   7.453  12.255  10.659
  167   HB2C  DB2  24          HB        DB2  24  10.170  13.066  11.564
  168   HG1C  DB2  24          3HG       DB2  24   9.491  12.772  13.704
  169   HG2C  DB2  24          1HG       DB2  24   9.710  11.067  13.303
  170   HG3C  DB2  24          2HG       DB2  24   8.102  11.786  13.245
  171    H    LYS  25           H        LYS  25   9.418  12.551   8.963
  172    HA   LYS  25           HA       LYS  25  10.625  14.674   8.067
  173    HB2  LYS  25           2HB      LYS  25   9.179  12.576   6.735
  174    HB3  LYS  25           3HB      LYS  25   9.025  14.069   5.819
  175    HG2  LYS  25           2HG      LYS  25  11.604  12.772   6.677
  176    HG3  LYS  25           3HG      LYS  25  10.922  12.771   5.049
  177    HD2  LYS  25           2HD      LYS  25  11.475  15.349   6.475
  178    HD3  LYS  25           3HD      LYS  25  12.769  14.488   5.638
  179    HE2  LYS  25           2HE      LYS  25  11.860  16.098   4.126
  180    HE3  LYS  25           3HE      LYS  25  11.346  14.499   3.587
  181    HZ1  LYS  25           3HZ      LYS  25   9.682  16.538   3.837
  182    HZ2  LYS  25           1HZ      LYS  25   9.548  15.899   5.398
  183    HZ3  LYS  25           2HZ      LYS  25   9.196  14.932   4.055
  184    H    GLU  26           H        GLU  26   7.121  14.493   8.251
  185    HA   GLU  26           HA       GLU  26   6.355  16.722   6.838
  186    HB2  GLU  26           2HB      GLU  26   5.103  16.192   9.505
  187    HB3  GLU  26           3HB      GLU  26   4.338  16.642   7.987
  188    HG2  GLU  26           2HG      GLU  26   5.050  14.343   7.145
  189    HG3  GLU  26           3HG      GLU  26   5.365  13.959   8.837
  190    H    CYS  27           H        CYS  27   7.387  16.591  10.238
  191    HA   CYS  27           HA       CYS  27   7.909  19.488  10.092
  192    HB2  CYS  27           2HB      CYS  27   6.810  17.870  12.393
  193    HB3  CYS  27           3HB      CYS  27   7.450  19.499  12.584
  194    H    MET  28           H        MET  28   9.138  16.385  10.662
  195    HA   MET  28           HA       MET  28  11.637  17.547  11.691
  196    HB2  MET  28           2HB      MET  28  10.000  15.850  13.133
  197    HB3  MET  28           3HB      MET  28  11.209  14.763  12.463
  198    HG2  MET  28           2HG      MET  28  12.980  15.973  13.487
  199    HG3  MET  28           3HG      MET  28  11.891  17.273  13.966
  200    HE1  MET  28           3HE      MET  28  13.306  16.890  16.220
  201    HE2  MET  28           1HE      MET  28  11.665  17.436  16.570
  202    HE3  MET  28           2HE      MET  28  12.384  16.138  17.523
  203    HA   PRO  29           HA       PRO  29  12.998  15.588   7.893
  204    HB2  PRO  29           2HB      PRO  29  15.501  16.637   7.969
  205    HB3  PRO  29           3HB      PRO  29  14.091  17.555   7.428
  206    HG2  PRO  29           2HG      PRO  29  15.459  17.577  10.091
  207    HG3  PRO  29           3HG      PRO  29  14.847  18.940   9.137
  208    HD2  PRO  29           2HD      PRO  29  13.488  17.906  11.238
  209    HD3  PRO  29           3HD      PRO  29  12.673  18.610   9.827
  210    H    SER  30           H        SER  30  14.089  15.189  11.103
  211    HA   SER  30           HA       SER  30  16.251  13.394  10.578
  212    HB2  SER  30           2HB      SER  30  16.529  13.305  12.858
  213    HB3  SER  30           3HB      SER  30  15.601  14.801  12.748
  214    HG   SER  30           HG       SER  30  14.953  12.498  13.968
  215    H    CYS  31           H        CYS  31  13.256  12.982   9.696
  216    HA   CYS  31           HA       CYS  31  12.630  10.415  10.841
  217    HB2  CYS  31           2HB      CYS  31  11.270  12.395   9.267
  218    HB3  CYS  31           3HB      CYS  31  11.111  10.823   8.490
  219    H    ASN  32           H        ASN  32  13.270   8.487  10.136
  220    HA   ASN  32           HA       ASN  32  14.055   8.142   7.345
  221    HB2  ASN  32           2HB      ASN  32  15.856   7.714   9.717
  222    HB3  ASN  32           3HB      ASN  32  16.093   6.811   8.224
  223   HD21  ASN  32          1HD2      ASN  32  16.316   8.113   6.240
  224   HD22  ASN  32          2HD2      ASN  32  17.161   9.616   6.346
  Start of MODEL    2
    1    H41  2KT   1           2H4      2KT   1   4.524   2.886  13.486
    2    H42  2KT   1           3H4      2KT   1   4.388   4.361  13.719
    3    H43  2KT   1           1H4      2KT   1   5.700   3.791  13.270
    4    H31  2KT   1           2H3      2KT   1   4.434   3.471  15.583
    5    H32  2KT   1           3H3      2KT   1   5.516   2.472  15.298
    6    H    ILE   2           H        ILE   2   7.753   5.963  16.608
    7    HA   ILE   2           HA       ILE   2   6.244   6.605  18.845
    8    HB   ILE   2           HB       ILE   2   7.580   8.538  19.106
    9   HG12  ILE   2          2HG1      ILE   2   7.135   9.500  16.862
   10   HG13  ILE   2          3HG1      ILE   2   8.835   9.591  17.311
   11   HG21  ILE   2          1HG2      ILE   2   9.280   7.165  19.503
   12   HG22  ILE   2          2HG2      ILE   2   8.758   6.066  18.228
   13   HG23  ILE   2          3HG2      ILE   2   9.810   7.427  17.842
   14   HD11  ILE   2          3HD1      ILE   2   7.512   7.844  15.283
   15   HD12  ILE   2          1HD1      ILE   2   8.894   8.923  15.100
   16   HD13  ILE   2          2HD1      ILE   2   9.071   7.403  15.977
   17    HN2  DB2   3           H        DB2   3   4.863   8.342  19.339
   18    HA   DB2   3           HA       DB2   3   3.301   9.285  17.028
   19   HB2C  DB2   3          HB        DB2   3   4.031  10.975  19.414
   20   HG1C  DB2   3          3HG       DB2   3   6.010  10.697  18.160
   21   HG2C  DB2   3          1HG       DB2   3   5.362  12.266  17.674
   22   HG3C  DB2   3          2HG       DB2   3   5.157  10.864  16.625
   23    H    LEU   4           H        LEU   4   3.062   7.189  19.226
   24    HA   LEU   4           HA       LEU   4   0.455   6.847  19.481
   25    HB2  LEU   4           2HB      LEU   4   2.506   6.574  21.662
   26    HB3  LEU   4           3HB      LEU   4   0.842   6.025  21.854
   27    HG   LEU   4           HG       LEU   4   1.431   4.701  19.623
   28   HD11  LEU   4          1HD1      LEU   4   3.994   4.069  20.710
   29   HD12  LEU   4          2HD1      LEU   4   3.924   5.793  20.347
   30   HD13  LEU   4          3HD1      LEU   4   3.577   4.613  19.084
   31   HD21  LEU   4          3HD2      LEU   4   0.648   3.747  21.746
   32   HD22  LEU   4          1HD2      LEU   4   2.293   3.820  22.376
   33   HD23  LEU   4          2HD2      LEU   4   1.918   2.769  21.010
   34    H    DHA   5           H        DHA   5  -1.251   7.831  20.230
   35    HB1  DHA   5           2HB      DHA   5  -0.983   8.804  23.361
   36    HB2  DHA   5           3HB      DHA   5  -2.148  10.258  23.296
   37    H1   DBU   6           H        DBU   6  -0.814  11.702  20.882
   38    HB1  DBU   6           HB       DBU   6  -3.952  13.827  19.524
   39    HG1  DBU   6           3HG      DBU   6  -4.654  11.798  21.328
   40    HG2  DBU   6           1HG      DBU   6  -4.627  13.472  21.858
   41    HG3  DBU   6           2HG      DBU   6  -3.220  12.442  22.135
   42    H    CYS   7           H        CYS   7  -0.328  11.485  18.555
   43    HA   CYS   7           HA       CYS   7   0.309  13.549  16.746
   44    HB2  CYS   7           2HB      CYS   7   1.048  10.616  16.736
   45    HB3  CYS   7           3HB      CYS   7   1.750  11.814  15.653
   46    H    ALA   8           H        ALA   8  -1.095  10.334  16.085
   47    HA   ALA   8           HA       ALA   8  -1.719  10.884  13.389
   48    HB1  ALA   8           1HB      ALA   8  -1.739   8.645  13.666
   49    HB2  ALA   8           2HB      ALA   8  -2.330   8.746  15.325
   50    HB3  ALA   8           3HB      ALA   8  -3.454   8.916  13.977
   51    H    ILE   9           H        ILE   9  -3.031  12.178  16.143
   52    HA   ILE   9           HA       ILE   9  -5.736  12.431  15.058
   53    HB   ILE   9           HB       ILE   9  -4.669  13.433  17.699
   54   HG12  ILE   9          2HG1      ILE   9  -6.014  10.850  16.925
   55   HG13  ILE   9          3HG1      ILE   9  -4.497  11.071  17.790
   56   HG21  ILE   9          1HG2      ILE   9  -7.527  12.983  16.873
   57   HG22  ILE   9          2HG2      ILE   9  -6.931  13.793  18.321
   58   HG23  ILE   9          3HG2      ILE   9  -6.713  14.541  16.739
   59   HD11  ILE   9          3HD1      ILE   9  -7.295  11.424  18.791
   60   HD12  ILE   9          1HD1      ILE   9  -6.014  10.386  19.416
   61   HD13  ILE   9          2HD1      ILE   9  -5.914  12.135  19.626
   62    H    LEU  10           H        LEU  10  -3.060  14.483  16.186
   63    HA   LEU  10           HA       LEU  10  -4.336  16.813  14.963
   64    HB2  LEU  10           2HB      LEU  10  -3.300  16.770  17.315
   65    HB3  LEU  10           3HB      LEU  10  -1.749  16.822  16.481
   66    HG   LEU  10           HG       LEU  10  -2.781  18.940  15.332
   67   HD11  LEU  10          1HD1      LEU  10  -4.320  18.845  17.922
   68   HD12  LEU  10          2HD1      LEU  10  -5.015  18.627  16.316
   69   HD13  LEU  10          3HD1      LEU  10  -4.292  20.173  16.761
   70   HD21  LEU  10          3HD2      LEU  10  -1.861  20.321  17.168
   71   HD22  LEU  10          1HD2      LEU  10  -0.798  18.994  16.699
   72   HD23  LEU  10          2HD2      LEU  10  -1.763  18.872  18.170
   73    H    DAL  11           H        DAL  11  -2.950  14.531  13.526
   74    HA   DAL  11           HA       DAL  11  -1.588  14.229  11.737
   75    HB2  DAL  11           2HB      DAL  11  -0.089  15.989  13.503
   76    HB3  DAL  11           3HB      DAL  11   0.336  16.225  11.809
   77    H    LYS  12           H        LYS  12  -3.887  15.998  11.602
   78    HA   LYS  12           HA       LYS  12  -3.116  18.124   9.779
   79    HB2  LYS  12           2HB      LYS  12  -4.798  17.219   8.068
   80    HB3  LYS  12           3HB      LYS  12  -3.226  16.434   8.154
   81    HG2  LYS  12           2HG      LYS  12  -4.120  14.575   9.322
   82    HG3  LYS  12           3HG      LYS  12  -5.659  15.399   9.585
   83    HD2  LYS  12           2HD      LYS  12  -4.699  14.974   6.792
   84    HD3  LYS  12           3HD      LYS  12  -5.395  13.613   7.676
   85    HE2  LYS  12           2HE      LYS  12  -6.863  16.198   7.698
   86    HE3  LYS  12           3HE      LYS  12  -6.882  15.248   6.213
   87    HZ1  LYS  12           3HZ      LYS  12  -8.753  14.750   7.707
   88    HZ2  LYS  12           1HZ      LYS  12  -7.663  14.211   8.883
   89    HZ3  LYS  12           2HZ      LYS  12  -7.788  13.393   7.408
   90    HA   PRO  13           HA       PRO  13  -6.751  19.151  12.425
   91    HB2  PRO  13           2HB      PRO  13  -5.920  21.681  12.955
   92    HB3  PRO  13           3HB      PRO  13  -5.391  20.279  13.894
   93    HG2  PRO  13           2HG      PRO  13  -3.978  21.721  11.684
   94    HG3  PRO  13           3HG      PRO  13  -3.329  21.116  13.219
   95    HD2  PRO  13           2HD      PRO  13  -3.009  19.791  10.880
   96    HD3  PRO  13           3HD      PRO  13  -3.155  18.954  12.439
   97    H    LEU  14           H        LEU  14  -8.524  20.429  11.918
   98    HA   LEU  14           HA       LEU  14  -8.630  21.367   9.185
   99    HB2  LEU  14           2HB      LEU  14 -11.025  21.743   9.673
  100    HB3  LEU  14           3HB      LEU  14 -10.489  20.093   9.981
  101    HG   LEU  14           HG       LEU  14 -10.244  21.032  12.451
  102   HD11  LEU  14          1HD1      LEU  14 -12.207  22.531  12.895
  103   HD12  LEU  14          2HD1      LEU  14 -12.298  22.811  11.157
  104   HD13  LEU  14          3HD1      LEU  14 -10.857  23.291  12.053
  105   HD21  LEU  14          3HD2      LEU  14 -12.226  19.578  10.974
  106   HD22  LEU  14          1HD2      LEU  14 -12.998  20.529  12.243
  107   HD23  LEU  14          2HD2      LEU  14 -11.719  19.386  12.653
  108    H    GLY  15           H        GLY  15  -9.743  23.476   8.711
  109    HA2  GLY  15           2HA      GLY  15 -10.003  25.758   8.994
  110    HA3  GLY  15           3HA      GLY  15  -9.577  25.559  10.687
  111    H    ASN  16           H        ASN  16  -7.255  24.074   8.828
  112    HA   ASN  16           HA       ASN  16  -5.697  26.275   7.977
  113    HB2  ASN  16           2HB      ASN  16  -5.270  26.849  10.216
  114    HB3  ASN  16           3HB      ASN  16  -5.153  25.165  10.719
  115   HD21  ASN  16          1HD2      ASN  16  -3.489  27.898   9.558
  116   HD22  ASN  16          2HD2      ASN  16  -1.917  27.189   9.458
  117    H    ASN  17           H        ASN  17  -3.466  25.604   7.366
  118    HA   ASN  17           HA       ASN  17  -3.471  23.289   5.842
  119    HB2  ASN  17           2HB      ASN  17  -1.891  25.319   5.728
  120    HB3  ASN  17           3HB      ASN  17  -0.935  24.481   6.946
  121   HD21  ASN  17          1HD2      ASN  17   0.791  23.719   5.955
  122   HD22  ASN  17          2HD2      ASN  17   0.795  22.809   4.486
  123    H    GLY  18           H        GLY  18  -1.543  21.614   6.130
  124    HA2  GLY  18           2HA      GLY  18  -0.320  20.435   7.978
  125    HA3  GLY  18           3HA      GLY  18  -1.844  20.501   8.851
  126    H    TYR  19           H        TYR  19  -0.122  19.034   6.180
  127    HA   TYR  19           HA       TYR  19  -2.283  17.305   5.423
  128    HB2  TYR  19           2HB      TYR  19  -0.167  18.135   4.062
  129    HB3  TYR  19           3HB      TYR  19   0.551  16.672   4.728
  130    HD1  TYR  19           HD2      TYR  19  -2.711  17.637   3.160
  131    HD2  TYR  19           HD1      TYR  19   0.504  14.854   3.323
  132    HE1  TYR  19           HE2      TYR  19  -3.775  16.313   1.381
  133    HE2  TYR  19           HE1      TYR  19  -0.551  13.523   1.543
  134    HH   TYR  19           HH       TYR  19  -2.142  13.746  -0.225
  135    H    LEU  20           H        LEU  20  -1.078  14.846   5.117
  136    HA   LEU  20           HA       LEU  20  -1.637  13.497   7.416
  137    HB2  LEU  20           2HB      LEU  20   0.252  12.893   5.174
  138    HB3  LEU  20           3HB      LEU  20   0.101  11.786   6.537
  139    HG   LEU  20           HG       LEU  20  -2.463  11.928   5.929
  140   HD11  LEU  20          1HD1      LEU  20  -2.807  12.106   3.519
  141   HD12  LEU  20          2HD1      LEU  20  -1.113  12.546   3.304
  142   HD13  LEU  20          3HD1      LEU  20  -2.196  13.618   4.192
  143   HD21  LEU  20          3HD2      LEU  20  -1.023   9.917   5.927
  144   HD22  LEU  20          1HD2      LEU  20  -0.520  10.313   4.284
  145   HD23  LEU  20          2HD2      LEU  20  -2.206   9.921   4.619
  146    H    CYS  21           H        CYS  21  -0.293  12.432   9.012
  147    HA   CYS  21           HA       CYS  21   1.764  14.224  10.011
  148    HB2  CYS  21           2HB      CYS  21  -0.154  12.487  11.184
  149    HB3  CYS  21           3HB      CYS  21   1.440  11.911  11.662
  150    HN2  DB2  22           H        DB2  22   3.380  12.539  11.434
  151    HA   DB2  22           HA       DB2  22   4.432  10.380   9.924
  152   HB2C  DB2  22          HB        DB2  22   5.796  12.036  12.040
  153   HG1C  DB2  22          3HG       DB2  22   4.258   9.472  12.439
  154   HG2C  DB2  22          1HG       DB2  22   3.546  11.076  12.627
  155   HG3C  DB2  22          2HG       DB2  22   4.874  10.573  13.671
  156    H    VAL  23           H        VAL  23   5.170  13.812  10.094
  157    HA   VAL  23           HA       VAL  23   7.210  13.437   8.004
  158    HB   VAL  23           HB       VAL  23   5.294  15.758   8.004
  159   HG11  VAL  23          1HG1      VAL  23   7.003  14.579   5.817
  160   HG12  VAL  23          2HG1      VAL  23   6.039  16.055   5.729
  161   HG13  VAL  23          3HG1      VAL  23   7.442  15.979   6.795
  162   HG21  VAL  23          3HG2      VAL  23   4.292  14.419   6.004
  163   HG22  VAL  23          1HG2      VAL  23   4.964  13.023   6.848
  164   HG23  VAL  23          2HG2      VAL  23   3.777  14.052   7.650
  165    HN2  DB2  24           H        DB2  24   8.916  14.883   7.994
  166    HA   DB2  24           HA       DB2  24   9.027  17.118   9.798
  167   HB2C  DB2  24          HB        DB2  24  11.476  15.967   8.561
  168   HG1C  DB2  24          3HG       DB2  24   9.109  17.043   7.073
  169   HG2C  DB2  24          1HG       DB2  24  10.111  15.632   6.725
  170   HG3C  DB2  24          2HG       DB2  24  10.737  17.253   6.427
  171    H    LYS  25           H        LYS  25  11.334  17.205  11.018
  172    HA   LYS  25           HA       LYS  25  12.758  15.355  12.166
  173    HB2  LYS  25           2HB      LYS  25  11.631  17.803  13.151
  174    HB3  LYS  25           3HB      LYS  25  11.688  16.628  14.458
  175    HG2  LYS  25           2HG      LYS  25  14.015  17.465  12.739
  176    HG3  LYS  25           3HG      LYS  25  13.702  17.993  14.394
  177    HD2  LYS  25           2HD      LYS  25  14.110  15.118  13.578
  178    HD3  LYS  25           3HD      LYS  25  15.387  16.163  14.206
  179    HE2  LYS  25           2HE      LYS  25  14.199  16.429  16.290
  180    HE3  LYS  25           3HE      LYS  25  12.824  15.523  15.662
  181    HZ1  LYS  25           3HZ      LYS  25  13.789  13.619  16.211
  182    HZ2  LYS  25           1HZ      LYS  25  14.969  14.505  17.038
  183    HZ3  LYS  25           2HZ      LYS  25  15.236  14.032  15.437
  184    H    GLU  26           H        GLU  26   9.302  15.632  12.735
  185    HA   GLU  26           HA       GLU  26   8.929  13.906  14.843
  186    HB2  GLU  26           2HB      GLU  26   7.082  13.750  12.492
  187    HB3  GLU  26           3HB      GLU  26   6.700  13.764  14.208
  188    HG2  GLU  26           2HG      GLU  26   7.520  16.167  14.214
  189    HG3  GLU  26           3HG      GLU  26   7.471  16.070  12.455
  190    H    CYS  27           H        CYS  27   9.135  13.064  11.393
  191    HA   CYS  27           HA       CYS  27   9.740  10.297  12.203
  192    HB2  CYS  27           2HB      CYS  27   8.094  11.276   9.869
  193    HB3  CYS  27           3HB      CYS  27   8.710   9.630   9.984
  194    H    MET  28           H        MET  28  10.729  13.072  10.531
  195    HA   MET  28           HA       MET  28  12.934  11.563   9.298
  196    HB2  MET  28           2HB      MET  28  10.975  12.900   7.884
  197    HB3  MET  28           3HB      MET  28  12.284  14.072   7.948
  198    HG2  MET  28           2HG      MET  28  13.782  12.160   7.146
  199    HG3  MET  28           3HG      MET  28  12.280  11.331   6.745
  200    HE1  MET  28           3HE      MET  28  10.522  13.384   4.301
  201    HE2  MET  28           1HE      MET  28  11.359  11.913   3.804
  202    HE3  MET  28           2HE      MET  28  10.608  12.005   5.397
  203    HA   PRO  29           HA       PRO  29  15.153  14.360  12.005
  204    HB2  PRO  29           2HB      PRO  29  17.586  13.235  11.574
  205    HB3  PRO  29           3HB      PRO  29  16.381  12.533  12.660
  206    HG2  PRO  29           2HG      PRO  29  17.041  11.799   9.834
  207    HG3  PRO  29           3HG      PRO  29  16.724  10.739  11.220
  208    HD2  PRO  29           2HD      PRO  29  14.856  11.267   9.333
  209    HD3  PRO  29           3HD      PRO  29  14.438  10.967  11.033
  210    H    SER  30           H        SER  30  15.452  13.868   8.626
  211    HA   SER  30           HA       SER  30  17.572  15.762   8.196
  212    HB2  SER  30           2HB      SER  30  16.743  13.743   6.696
  213    HB3  SER  30           3HB      SER  30  15.688  14.979   6.011
  214    HG   SER  30           HG       SER  30  18.518  15.127   6.209
  215    H    CYS  31           H        CYS  31  15.162  16.629   9.681
  216    HA   CYS  31           HA       CYS  31  13.957  18.587   7.885
  217    HB2  CYS  31           2HB      CYS  31  13.098  17.196  10.221
  218    HB3  CYS  31           3HB      CYS  31  13.069  18.921  10.574
  219    H    ASN  32           H        ASN  32  13.536  20.797   9.110
  220    HA   ASN  32           HA       ASN  32  15.912  21.681  10.553
  221    HB2  ASN  32           2HB      ASN  32  16.437  23.459   9.049
  222    HB3  ASN  32           3HB      ASN  32  16.314  21.996   8.076
  223   HD21  ASN  32          1HD2      ASN  32  14.052  21.604   7.194
  224   HD22  ASN  32          2HD2      ASN  32  13.249  22.981   6.526
  Start of MODEL    3
    1    H41  2KT   1           2H4      2KT   1  -0.433   5.067  16.050
    2    H42  2KT   1           3H4      2KT   1  -0.201   4.616  14.638
    3    H43  2KT   1           1H4      2KT   1  -1.150   3.860  15.521
    4    H31  2KT   1           2H3      2KT   1   0.424   3.354  16.895
    5    H32  2KT   1           3H3      2KT   1   0.523   2.555  15.629
    6    H    ILE   2           H        ILE   2   4.120   5.055  15.560
    7    HA   ILE   2           HA       ILE   2   4.043   6.534  17.906
    8    HB   ILE   2           HB       ILE   2   5.345   7.677  15.465
    9   HG12  ILE   2          2HG1      ILE   2   6.022   5.484  15.108
   10   HG13  ILE   2          3HG1      ILE   2   7.298   6.080  16.163
   11   HG21  ILE   2          1HG2      ILE   2   7.032   7.490  17.740
   12   HG22  ILE   2          2HG2      ILE   2   6.355   8.933  16.987
   13   HG23  ILE   2          3HG2      ILE   2   5.466   8.107  18.266
   14   HD11  ILE   2          3HD1      ILE   2   5.304   3.998  16.610
   15   HD12  ILE   2          1HD1      ILE   2   6.893   4.230  17.338
   16   HD13  ILE   2          2HD1      ILE   2   5.500   5.115  17.961
   17    HN2  DB2   3           H        DB2   3   3.268   8.495  18.494
   18    HA   DB2   3           HA       DB2   3   1.467   9.822  16.573
   19   HB2C  DB2   3          HB        DB2   3   3.207  11.222  18.596
   20   HG1C  DB2   3          3HG       DB2   3   3.533  10.931  15.607
   21   HG2C  DB2   3          1HG       DB2   3   4.578  10.268  16.867
   22   HG3C  DB2   3          2HG       DB2   3   4.489  12.012  16.621
   23    H    LEU   4           H        LEU   4   0.610   7.890  18.356
   24    HA   LEU   4           HA       LEU   4  -1.642   8.747  19.436
   25    HB2  LEU   4           2HB      LEU   4   0.312   6.743  20.447
   26    HB3  LEU   4           3HB      LEU   4  -1.080   7.140  21.452
   27    HG   LEU   4           HG       LEU   4  -2.393   6.615  19.216
   28   HD11  LEU   4          1HD1      LEU   4   0.210   5.140  18.921
   29   HD12  LEU   4          2HD1      LEU   4  -0.576   6.208  17.760
   30   HD13  LEU   4          3HD1      LEU   4  -1.281   4.634  18.126
   31   HD21  LEU   4          3HD2      LEU   4  -1.800   4.052  20.225
   32   HD22  LEU   4          1HD2      LEU   4  -3.173   5.086  20.620
   33   HD23  LEU   4          2HD2      LEU   4  -1.698   5.174  21.583
   34    H    DHA   5           H        DHA   5  -2.342  10.091  20.902
   35    HB1  DHA   5           2HB      DHA   5  -0.702   9.762  23.797
   36    HB2  DHA   5           3HB      DHA   5  -0.978  11.492  24.435
   37    H1   DBU   6           H        DBU   6   0.069  13.023  22.078
   38    HB1  DBU   6           HB       DBU   6  -2.132  16.422  22.330
   39    HG1  DBU   6           3HG      DBU   6  -3.427  14.368  23.622
   40    HG2  DBU   6           1HG      DBU   6  -2.462  15.461  24.599
   41    HG3  DBU   6           2HG      DBU   6  -1.779  13.920  24.073
   42    H    CYS   7           H        CYS   7   0.512  13.678  20.094
   43    HA   CYS   7           HA       CYS   7   1.206  16.091  18.722
   44    HB2  CYS   7           2HB      CYS   7   2.790  14.811  17.564
   45    HB3  CYS   7           3HB      CYS   7   2.672  14.005  19.125
   46    H    ALA   8           H        ALA   8  -0.628  13.175  17.857
   47    HA   ALA   8           HA       ALA   8  -1.320  14.185  15.257
   48    HB1  ALA   8           1HB      ALA   8  -2.463  11.837  16.766
   49    HB2  ALA   8           2HB      ALA   8  -2.668  12.177  15.048
   50    HB3  ALA   8           3HB      ALA   8  -1.072  11.780  15.683
   51    H    ILE   9           H        ILE   9  -2.281  15.142  18.204
   52    HA   ILE   9           HA       ILE   9  -5.116  15.448  17.553
   53    HB   ILE   9           HB       ILE   9  -3.646  16.204  20.081
   54   HG12  ILE   9          2HG1      ILE   9  -5.150  13.738  19.249
   55   HG13  ILE   9          3HG1      ILE   9  -3.569  13.860  20.012
   56   HG21  ILE   9          1HG2      ILE   9  -6.612  15.965  19.609
   57   HG22  ILE   9          2HG2      ILE   9  -5.801  16.530  21.069
   58   HG23  ILE   9          3HG2      ILE   9  -5.725  17.489  19.591
   59   HD11  ILE   9          3HD1      ILE   9  -5.156  13.003  21.588
   60   HD12  ILE   9          1HD1      ILE   9  -4.675  14.627  22.081
   61   HD13  ILE   9          2HD1      ILE   9  -6.237  14.367  21.302
   62    H    LEU  10           H        LEU  10  -2.298  17.432  18.422
   63    HA   LEU  10           HA       LEU  10  -3.745  19.841  17.614
   64    HB2  LEU  10           2HB      LEU  10  -2.215  19.495  19.736
   65    HB3  LEU  10           3HB      LEU  10  -0.935  19.899  18.595
   66    HG   LEU  10           HG       LEU  10  -1.865  21.788  20.020
   67   HD11  LEU  10          1HD1      LEU  10  -2.150  22.399  17.111
   68   HD12  LEU  10          2HD1      LEU  10  -0.591  21.889  17.758
   69   HD13  LEU  10          3HD1      LEU  10  -1.374  23.339  18.386
   70   HD21  LEU  10          3HD2      LEU  10  -4.286  20.881  19.269
   71   HD22  LEU  10          1HD2      LEU  10  -4.038  22.140  18.060
   72   HD23  LEU  10          2HD2      LEU  10  -3.977  22.542  19.776
   73    H    DAL  11           H        DAL  11  -2.680  17.730  15.756
   74    HA   DAL  11           HA       DAL  11  -1.641  17.593  13.745
   75    HB2  DAL  11           2HB      DAL  11   0.232  18.811  15.459
   76    HB3  DAL  11           3HB      DAL  11   0.286  19.720  13.950
   77    H    LYS  12           H        LYS  12  -0.758  19.195  11.885
   78    HA   LYS  12           HA       LYS  12  -1.831  21.766  11.650
   79    HB2  LYS  12           2HB      LYS  12  -1.609  21.305   9.137
   80    HB3  LYS  12           3HB      LYS  12  -0.148  21.209  10.111
   81    HG2  LYS  12           2HG      LYS  12  -0.176  18.837  10.074
   82    HG3  LYS  12           3HG      LYS  12  -1.797  18.805   9.376
   83    HD2  LYS  12           2HD      LYS  12  -0.465  18.403   7.528
   84    HD3  LYS  12           3HD      LYS  12  -0.703  20.150   7.437
   85    HE2  LYS  12           2HE      LYS  12   1.483  20.251   8.842
   86    HE3  LYS  12           3HE      LYS  12   1.724  18.605   8.259
   87    HZ1  LYS  12           3HZ      LYS  12   2.796  20.275   6.845
   88    HZ2  LYS  12           1HZ      LYS  12   1.289  20.971   6.519
   89    HZ3  LYS  12           2HZ      LYS  12   1.622  19.396   6.002
   90    HA   PRO  13           HA       PRO  13  -6.109  21.244  10.819
   91    HB2  PRO  13           2HB      PRO  13  -6.561  23.225   9.019
   92    HB3  PRO  13           3HB      PRO  13  -6.258  23.535  10.733
   93    HG2  PRO  13           2HG      PRO  13  -4.371  23.701   8.415
   94    HG3  PRO  13           3HG      PRO  13  -4.562  24.812   9.784
   95    HD2  PRO  13           2HD      PRO  13  -2.577  22.975   9.666
   96    HD3  PRO  13           3HD      PRO  13  -3.316  23.486  11.198
   97    H    LEU  14           H        LEU  14  -7.556  21.680   8.550
   98    HA   LEU  14           HA       LEU  14  -7.276  19.306   7.121
   99    HB2  LEU  14           2HB      LEU  14  -9.141  21.306   7.272
  100    HB3  LEU  14           3HB      LEU  14  -8.540  21.477   5.625
  101    HG   LEU  14           HG       LEU  14  -9.088  19.072   5.250
  102   HD11  LEU  14          1HD1      LEU  14  -9.887  19.319   8.086
  103   HD12  LEU  14          2HD1      LEU  14  -9.244  17.936   7.202
  104   HD13  LEU  14          3HD1      LEU  14 -10.944  18.375   7.036
  105   HD21  LEU  14          3HD2      LEU  14 -11.704  20.016   5.998
  106   HD22  LEU  14          1HD2      LEU  14 -11.003  19.802   4.394
  107   HD23  LEU  14          2HD2      LEU  14 -10.754  21.312   5.270
  108    H    GLY  15           H        GLY  15  -7.519  19.992   4.420
  109    HA2  GLY  15           2HA      GLY  15  -6.295  20.522   2.540
  110    HA3  GLY  15           3HA      GLY  15  -5.321  21.590   3.540
  111    H    ASN  16           H        ASN  16  -3.890  20.421   1.730
  112    HA   ASN  16           HA       ASN  16  -2.232  18.928   1.230
  113    HB2  ASN  16           2HB      ASN  16  -0.613  18.610   2.991
  114    HB3  ASN  16           3HB      ASN  16  -1.279  20.234   3.136
  115   HD21  ASN  16          1HD2      ASN  16  -1.018  17.108   4.565
  116   HD22  ASN  16          2HD2      ASN  16  -1.756  17.503   6.077
  117    H    ASN  17           H        ASN  17  -1.119  16.803   2.630
  118    HA   ASN  17           HA       ASN  17  -2.603  14.644   1.893
  119    HB2  ASN  17           2HB      ASN  17  -0.191  14.797   2.873
  120    HB3  ASN  17           3HB      ASN  17  -0.983  14.490   4.416
  121   HD21  ASN  17          1HD2      ASN  17   0.590  12.618   4.104
  122   HD22  ASN  17          2HD2      ASN  17  -0.067  11.193   3.380
  123    H    GLY  18           H        GLY  18  -2.303  15.518   5.338
  124    HA2  GLY  18           2HA      GLY  18  -4.296  15.968   6.668
  125    HA3  GLY  18           3HA      GLY  18  -5.154  14.817   5.655
  126    H    TYR  19           H        TYR  19  -2.049  13.736   6.337
  127    HA   TYR  19           HA       TYR  19  -3.021  11.580   7.929
  128    HB2  TYR  19           2HB      TYR  19  -0.960  11.735   6.285
  129    HB3  TYR  19           3HB      TYR  19  -0.103  12.204   7.749
  130    HD1  TYR  19           HD2      TYR  19  -2.773   9.671   7.097
  131    HD2  TYR  19           HD1      TYR  19   1.180  10.427   8.475
  132    HE1  TYR  19           HE2      TYR  19  -2.542   7.302   7.715
  133    HE2  TYR  19           HE1      TYR  19   1.423   8.060   9.096
  134    HH   TYR  19           HH       TYR  19  -0.443   6.127   9.744
  135    H    LEU  20           H        LEU  20  -1.318  11.051   9.889
  136    HA   LEU  20           HA       LEU  20  -2.112  12.809  11.967
  137    HB2  LEU  20           2HB      LEU  20   0.072  10.747  12.120
  138    HB3  LEU  20           3HB      LEU  20  -0.916  11.375  13.438
  139    HG   LEU  20           HG       LEU  20  -1.912   9.350  13.154
  140   HD11  LEU  20          1HD1      LEU  20  -3.533  11.211  12.621
  141   HD12  LEU  20          2HD1      LEU  20  -3.987   9.603  12.057
  142   HD13  LEU  20          3HD1      LEU  20  -3.330  10.781  10.922
  143   HD21  LEU  20          3HD2      LEU  20  -2.008   9.125  10.247
  144   HD22  LEU  20          1HD2      LEU  20  -1.483   7.957  11.460
  145   HD23  LEU  20          2HD2      LEU  20  -0.368   9.201  10.893
  146    H    CYS  21           H        CYS  21  -0.320  13.504  13.624
  147    HA   CYS  21           HA       CYS  21   1.466  15.278  12.148
  148    HB2  CYS  21           2HB      CYS  21  -0.079  15.548  14.490
  149    HB3  CYS  21           3HB      CYS  21   1.603  15.606  15.007
  150    HN2  DB2  22           H        DB2  22   3.428  15.737  14.014
  151    HA   DB2  22           HA       DB2  22   4.672  13.405  15.017
  152   HB2C  DB2  22          HB        DB2  22   5.941  16.031  14.257
  153   HG1C  DB2  22          3HG       DB2  22   3.937  16.111  15.799
  154   HG2C  DB2  22          1HG       DB2  22   5.424  16.828  16.425
  155   HG3C  DB2  22          2HG       DB2  22   4.915  15.232  16.975
  156    H    VAL  23           H        VAL  23   4.840  15.079  11.938
  157    HA   VAL  23           HA       VAL  23   6.734  13.040  10.973
  158    HB   VAL  23           HB       VAL  23   4.464  14.071   9.286
  159   HG11  VAL  23          1HG1      VAL  23   6.739  12.395   8.847
  160   HG12  VAL  23          2HG1      VAL  23   5.263  11.460   8.599
  161   HG13  VAL  23          3HG1      VAL  23   5.527  12.950   7.692
  162   HG21  VAL  23          3HG2      VAL  23   4.478  11.874  11.299
  163   HG22  VAL  23          1HG2      VAL  23   3.195  13.007  10.872
  164   HG23  VAL  23          2HG2      VAL  23   3.568  11.654   9.804
  165    HN2  DB2  24           H        DB2  24   8.172  13.675   9.387
  166    HA   DB2  24           HA       DB2  24   8.052  16.280   8.177
  167   HB2C  DB2  24          HB        DB2  24  10.553  14.670   8.198
  168   HG1C  DB2  24          3HG       DB2  24   9.319  13.396   6.209
  169   HG2C  DB2  24          1HG       DB2  24   7.909  13.755   7.209
  170   HG3C  DB2  24          2HG       DB2  24   9.252  12.829   7.877
  171    H    LYS  25           H        LYS  25  10.398  17.422   8.202
  172    HA   LYS  25           HA       LYS  25  12.203  17.637  10.062
  173    HB2  LYS  25           2HB      LYS  25  10.743  19.606   8.562
  174    HB3  LYS  25           3HB      LYS  25  11.132  20.250  10.152
  175    HG2  LYS  25           2HG      LYS  25  13.359  20.297   9.744
  176    HG3  LYS  25           3HG      LYS  25  13.310  18.877   8.696
  177    HD2  LYS  25           2HD      LYS  25  12.995  20.110   6.842
  178    HD3  LYS  25           3HD      LYS  25  11.872  21.208   7.647
  179    HE2  LYS  25           2HE      LYS  25  14.805  21.310   8.246
  180    HE3  LYS  25           3HE      LYS  25  14.154  22.112   6.818
  181    HZ1  LYS  25           3HZ      LYS  25  12.622  22.710   9.143
  182    HZ2  LYS  25           1HZ      LYS  25  13.379  23.763   8.056
  183    HZ3  LYS  25           2HZ      LYS  25  14.247  23.128   9.361
  184    H    GLU  26           H        GLU  26   8.807  18.254  10.719
  185    HA   GLU  26           HA       GLU  26   8.906  19.372  13.230
  186    HB2  GLU  26           2HB      GLU  26   6.929  17.191  12.688
  187    HB3  GLU  26           3HB      GLU  26   6.689  18.734  13.496
  188    HG2  GLU  26           2HG      GLU  26   7.083  19.810  11.233
  189    HG3  GLU  26           3HG      GLU  26   6.917  18.191  10.556
  190    H    CYS  27           H        CYS  27   8.974  15.910  12.420
  191    HA   CYS  27           HA       CYS  27  10.100  15.404  15.096
  192    HB2  CYS  27           2HB      CYS  27   8.133  13.749  13.513
  193    HB3  CYS  27           3HB      CYS  27   9.033  13.109  14.884
  194    H    MET  28           H        MET  28  10.469  15.141  11.736
  195    HA   MET  28           HA       MET  28  12.804  13.391  12.116
  196    HB2  MET  28           2HB      MET  28  10.587  12.597  10.765
  197    HB3  MET  28           3HB      MET  28  11.514  13.327   9.461
  198    HG2  MET  28           2HG      MET  28  13.458  11.881  10.315
  199    HG3  MET  28           3HG      MET  28  12.214  10.984  11.182
  200    HE1  MET  28           3HE      MET  28  13.010   8.557   8.302
  201    HE2  MET  28           1HE      MET  28  13.753   9.276   9.732
  202    HE3  MET  28           2HE      MET  28  12.162   8.524   9.850
  203    HA   PRO  29           HA       PRO  29  14.708  17.071  10.413
  204    HB2  PRO  29           2HB      PRO  29  17.259  16.202  10.748
  205    HB3  PRO  29           3HB      PRO  29  16.284  16.854  12.071
  206    HG2  PRO  29           2HG      PRO  29  16.837  14.001  11.353
  207    HG3  PRO  29           3HG      PRO  29  16.821  14.769  12.951
  208    HD2  PRO  29           2HD      PRO  29  14.746  13.300  12.019
  209    HD3  PRO  29           3HD      PRO  29  14.522  14.686  13.106
  210    H    SER  30           H        SER  30  14.826  13.826   9.312
  211    HA   SER  30           HA       SER  30  16.540  14.301   7.052
  212    HB2  SER  30           2HB      SER  30  16.163  12.060   8.245
  213    HB3  SER  30           3HB      SER  30  14.640  11.979   7.360
  214    HG   SER  30           HG       SER  30  16.868  11.133   6.475
  215    H    CYS  31           H        CYS  31  14.159  16.009   7.386
  216    HA   CYS  31           HA       CYS  31  12.489  15.251   5.114
  217    HB2  CYS  31           2HB      CYS  31  12.061  16.713   7.525
  218    HB3  CYS  31           3HB      CYS  31  11.754  17.795   6.170
  219    H    ASN  32           H        ASN  32  12.553  16.220   3.169
  220    HA   ASN  32           HA       ASN  32  14.048  18.715   2.857
  221    HB2  ASN  32           2HB      ASN  32  15.295  17.826   0.936
  222    HB3  ASN  32           3HB      ASN  32  15.666  16.927   2.404
  223   HD21  ASN  32          1HD2      ASN  32  15.936  16.134  -0.380
  224   HD22  ASN  32          2HD2      ASN  32  14.990  14.701  -0.566
  Start of MODEL    4
    1    H41  2KT   1           2H4      2KT   1   9.100  10.693  19.100
    2    H42  2KT   1           3H4      2KT   1   8.584  10.580  20.504
    3    H43  2KT   1           1H4      2KT   1   7.852   9.909  19.380
    4    H31  2KT   1           2H3      2KT   1   8.185  12.510  19.822
    5    H32  2KT   1           3H3      2KT   1   7.676  12.127  18.464
    6    H    ILE   2           H        ILE   2   3.967  11.561  20.529
    7    HA   ILE   2           HA       ILE   2   3.412   9.451  18.719
    8    HB   ILE   2           HB       ILE   2   0.980  10.099  19.192
    9   HG12  ILE   2          2HG1      ILE   2   2.180  11.758  21.397
   10   HG13  ILE   2          3HG1      ILE   2   1.740  12.480  19.853
   11   HG21  ILE   2          1HG2      ILE   2   1.651   9.568  21.823
   12   HG22  ILE   2          2HG2      ILE   2   1.355   8.379  20.556
   13   HG23  ILE   2          3HG2      ILE   2   3.001   8.913  20.897
   14   HD11  ILE   2          3HD1      ILE   2  -0.026  11.254  21.929
   15   HD12  ILE   2          1HD1      ILE   2  -0.110  12.856  21.196
   16   HD13  ILE   2          2HD1      ILE   2  -0.566  11.432  20.259
   17    HN2  DB2   3           H        DB2   3   1.300   9.846  17.275
   18    HA   DB2   3           HA       DB2   3   1.810  12.213  15.592
   19   HB2C  DB2   3          HB        DB2   3  -0.664  10.567  15.352
   20   HG1C  DB2   3          3HG       DB2   3  -1.730  11.931  17.134
   21   HG2C  DB2   3          1HG       DB2   3  -0.145  12.609  17.515
   22   HG3C  DB2   3          2HG       DB2   3  -0.443  10.885  17.734
   23    H    LEU   4           H        LEU   4   3.215   9.584  15.568
   24    HA   LEU   4           HA       LEU   4   3.945   9.252  13.051
   25    HB2  LEU   4           2HB      LEU   4   3.380   7.178  15.126
   26    HB3  LEU   4           3HB      LEU   4   3.906   6.685  13.518
   27    HG   LEU   4           HG       LEU   4   5.960   8.027  13.815
   28   HD11  LEU   4          1HD1      LEU   4   6.524   8.834  16.069
   29   HD12  LEU   4          2HD1      LEU   4   4.890   8.439  16.603
   30   HD13  LEU   4          3HD1      LEU   4   5.140   9.682  15.378
   31   HD21  LEU   4          3HD2      LEU   4   6.911   6.564  15.681
   32   HD22  LEU   4          1HD2      LEU   4   6.220   5.747  14.279
   33   HD23  LEU   4          2HD2      LEU   4   5.299   5.854  15.779
   34    H    DHA   5           H        DHA   5   3.122   8.791  11.168
   35    HB1  DHA   5           2HB      DHA   5   1.387   6.002  11.097
   36    HB2  DHA   5           3HB      DHA   5   0.219   6.438   9.710
   37    H1   DBU   6           H        DBU   6  -0.806   9.123  10.920
   38    HB1  DBU   6           HB       DBU   6  -1.975  10.997   7.558
   39    HG1  DBU   6           3HG      DBU   6  -0.313   8.659   7.314
   40    HG2  DBU   6           1HG      DBU   6  -1.953   8.730   6.693
   41    HG3  DBU   6           2HG      DBU   6  -1.659   8.116   8.322
   42    H    CYS   7           H        CYS   7  -0.031  11.342  11.511
   43    HA   CYS   7           HA       CYS   7  -1.656  13.538  12.053
   44    HB2  CYS   7           2HB      CYS   7   1.007  12.599  12.974
   45    HB3  CYS   7           3HB      CYS   7   0.609  14.285  13.289
   46    H    ALA   8           H        ALA   8   1.773  14.076  11.406
   47    HA   ALA   8           HA       ALA   8   1.306  16.641  10.290
   48    HB1  ALA   8           1HB      ALA   8   3.448  16.841  10.826
   49    HB2  ALA   8           2HB      ALA   8   3.555  15.106  11.129
   50    HB3  ALA   8           3HB      ALA   8   3.870  15.741   9.514
   51    H    ILE   9           H        ILE   9   0.720  13.685   8.989
   52    HA   ILE   9           HA       ILE   9   1.641  14.227   6.297
   53    HB   ILE   9           HB       ILE   9  -0.024  11.979   7.428
   54   HG12  ILE   9          2HG1      ILE   9   2.868  12.355   6.760
   55   HG13  ILE   9          3HG1      ILE   9   2.138  11.588   8.166
   56   HG21  ILE   9          1HG2      ILE   9   0.158  10.891   5.278
   57   HG22  ILE   9          2HG2      ILE   9  -0.617  12.463   5.084
   58   HG23  ILE   9          3HG2      ILE   9   1.076  12.253   4.635
   59   HD11  ILE   9          3HD1      ILE   9   2.599  10.476   5.436
   60   HD12  ILE   9          1HD1      ILE   9   3.046   9.812   7.007
   61   HD13  ILE   9          2HD1      ILE   9   1.360   9.792   6.487
   62    H    LEU  10           H        LEU  10  -1.336  14.386   8.135
   63    HA   LEU  10           HA       LEU  10  -2.905  15.004   5.763
   64    HB2  LEU  10           2HB      LEU  10  -3.608  13.618   7.876
   65    HB3  LEU  10           3HB      LEU  10  -3.970  15.210   8.542
   66    HG   LEU  10           HG       LEU  10  -5.447  15.560   6.501
   67   HD11  LEU  10          1HD1      LEU  10  -5.638  12.608   6.286
   68   HD12  LEU  10          2HD1      LEU  10  -4.299  13.408   5.465
   69   HD13  LEU  10          3HD1      LEU  10  -5.961  13.858   5.084
   70   HD21  LEU  10          3HD2      LEU  10  -7.154  15.044   7.842
   71   HD22  LEU  10          1HD2      LEU  10  -5.939  14.470   8.984
   72   HD23  LEU  10          2HD2      LEU  10  -6.716  13.335   7.880
   73    H    DAL  11           H        DAL  11  -0.855  16.842   6.285
   74    HA   DAL  11           HA       DAL  11  -2.255  19.269   6.160
   75    HB2  DAL  11           2HB      DAL  11  -0.135  20.315   6.024
   76    HB3  DAL  11           3HB      DAL  11   0.040  18.755   5.223
   77    H    LYS  12           H        LYS  12  -2.323  21.029   7.603
   78    HA   LYS  12           HA       LYS  12  -2.013  20.273  10.434
   79    HB2  LYS  12           2HB      LYS  12  -1.591  22.776  10.798
   80    HB3  LYS  12           3HB      LYS  12  -0.286  21.827  10.100
   81    HG2  LYS  12           2HG      LYS  12  -0.703  22.687   7.930
   82    HG3  LYS  12           3HG      LYS  12  -2.221  23.425   8.446
   83    HD2  LYS  12           2HD      LYS  12  -1.165  25.149   9.545
   84    HD3  LYS  12           3HD      LYS  12   0.310  24.217   9.812
   85    HE2  LYS  12           2HE      LYS  12  -0.579  25.109   7.080
   86    HE3  LYS  12           3HE      LYS  12   0.442  26.103   8.118
   87    HZ1  LYS  12           3HZ      LYS  12   2.150  24.998   7.267
   88    HZ2  LYS  12           1HZ      LYS  12   1.150  23.866   6.506
   89    HZ3  LYS  12           2HZ      LYS  12   1.626  23.629   8.111
   90    HA   PRO  13           HA       PRO  13  -6.317  21.928   9.241
   91    HB2  PRO  13           2HB      PRO  13  -7.678  19.583   9.372
   92    HB3  PRO  13           3HB      PRO  13  -6.944  20.185   7.882
   93    HG2  PRO  13           2HG      PRO  13  -5.913  18.139   9.808
   94    HG3  PRO  13           3HG      PRO  13  -5.906  18.110   8.035
   95    HD2  PRO  13           2HD      PRO  13  -3.719  18.768   9.491
   96    HD3  PRO  13           3HD      PRO  13  -4.052  19.473   7.896
   97    H    LEU  14           H        LEU  14  -8.435  20.849  10.571
   98    HA   LEU  14           HA       LEU  14  -7.583  20.683  13.381
   99    HB2  LEU  14           2HB      LEU  14  -9.274  22.204  14.070
  100    HB3  LEU  14           3HB      LEU  14  -8.349  22.975  12.783
  101    HG   LEU  14           HG       LEU  14 -11.009  21.638  12.325
  102   HD11  LEU  14          1HD1      LEU  14 -10.595  23.928  13.835
  103   HD12  LEU  14          2HD1      LEU  14 -12.104  23.418  13.080
  104   HD13  LEU  14          3HD1      LEU  14 -11.027  24.527  12.233
  105   HD21  LEU  14          3HD2      LEU  14 -10.718  23.560  10.444
  106   HD22  LEU  14          1HD2      LEU  14 -10.253  21.874  10.220
  107   HD23  LEU  14          2HD2      LEU  14  -9.039  23.070  10.677
  108    H    GLY  15           H        GLY  15  -9.673  20.158  14.765
  109    HA2  GLY  15           2HA      GLY  15 -11.745  18.935  14.839
  110    HA3  GLY  15           3HA      GLY  15 -11.288  18.154  13.332
  111    H    ASN  16           H        ASN  16 -11.111  16.050  13.751
  112    HA   ASN  16           HA       ASN  16 -10.564  14.861  16.192
  113    HB2  ASN  16           2HB      ASN  16 -10.384  12.825  15.037
  114    HB3  ASN  16           3HB      ASN  16 -11.422  13.802  14.002
  115   HD21  ASN  16          1HD2      ASN  16  -9.950  11.564  13.154
  116   HD22  ASN  16          2HD2      ASN  16  -8.776  12.098  12.004
  117    H    ASN  17           H        ASN  17  -8.524  13.123  16.065
  118    HA   ASN  17           HA       ASN  17  -6.324  14.531  16.958
  119    HB2  ASN  17           2HB      ASN  17  -5.046  12.418  16.625
  120    HB3  ASN  17           3HB      ASN  17  -6.586  12.174  17.443
  121   HD21  ASN  17          1HD2      ASN  17  -7.606  12.796  14.509
  122   HD22  ASN  17          2HD2      ASN  17  -7.589  11.221  13.797
  123    H    GLY  18           H        GLY  18  -4.096  14.520  15.992
  124    HA2  GLY  18           2HA      GLY  18  -2.897  14.325  13.799
  125    HA3  GLY  18           3HA      GLY  18  -4.268  15.188  13.118
  126    H    TYR  19           H        TYR  19  -1.432  15.447  15.154
  127    HA   TYR  19           HA       TYR  19  -1.641  18.106  15.947
  128    HB2  TYR  19           2HB      TYR  19   0.160  16.188  16.421
  129    HB3  TYR  19           3HB      TYR  19   1.051  17.084  15.195
  130    HD1  TYR  19           HD2      TYR  19  -0.625  19.676  16.357
  131    HD2  TYR  19           HD1      TYR  19   2.158  16.835  17.868
  132    HE1  TYR  19           HE2      TYR  19   0.094  21.296  18.062
  133    HE2  TYR  19           HE1      TYR  19   2.884  18.447  19.579
  134    HH   TYR  19           HH       TYR  19   2.171  20.405  20.684
  135    H    LEU  20           H        LEU  20   0.671  19.367  14.985
  136    HA   LEU  20           HA       LEU  20  -0.346  20.537  12.590
  137    HB2  LEU  20           2HB      LEU  20   2.028  20.949  14.334
  138    HB3  LEU  20           3HB      LEU  20   2.062  21.620  12.704
  139    HG   LEU  20           HG       LEU  20  -0.189  22.715  13.363
  140   HD11  LEU  20          1HD1      LEU  20  -0.318  23.225  15.785
  141   HD12  LEU  20          2HD1      LEU  20   0.952  22.035  16.068
  142   HD13  LEU  20          3HD1      LEU  20  -0.602  21.525  15.407
  143   HD21  LEU  20          3HD2      LEU  20   1.055  24.596  14.458
  144   HD22  LEU  20          1HD2      LEU  20   1.744  24.038  12.933
  145   HD23  LEU  20          2HD2      LEU  20   2.485  23.562  14.462
  146    H    CYS  21           H        CYS  21   1.436  21.002  10.801
  147    HA   CYS  21           HA       CYS  21   2.149  18.375   9.759
  148    HB2  CYS  21           2HB      CYS  21   1.226  20.799   8.613
  149    HB3  CYS  21           3HB      CYS  21   2.838  20.505   7.969
  150    HN2  DB2  22           H        DB2  22   4.220  18.971   8.077
  151    HA   DB2  22           HA       DB2  22   6.378  20.403   9.019
  152   HB2C  DB2  22          HB        DB2  22   6.542  17.703   7.694
  153   HG1C  DB2  22          3HG       DB2  22   6.742  19.587   5.694
  154   HG2C  DB2  22          1HG       DB2  22   5.506  20.263   6.759
  155   HG3C  DB2  22          2HG       DB2  22   5.304  18.645   6.088
  156    H    VAL  23           H        VAL  23   5.305  17.174   9.950
  157    HA   VAL  23           HA       VAL  23   7.393  17.133  12.026
  158    HB   VAL  23           HB       VAL  23   4.597  16.143  12.532
  159   HG11  VAL  23          1HG1      VAL  23   6.420  15.302  13.961
  160   HG12  VAL  23          2HG1      VAL  23   6.811  16.964  14.409
  161   HG13  VAL  23          3HG1      VAL  23   5.252  16.272  14.858
  162   HG21  VAL  23          3HG2      VAL  23   4.745  18.431  13.982
  163   HG22  VAL  23          1HG2      VAL  23   5.605  18.901  12.516
  164   HG23  VAL  23          2HG2      VAL  23   3.952  18.296  12.412
  165    HN2  DB2  24           H        DB2  24   8.202  15.136  12.590
  166    HA   DB2  24           HA       DB2  24   7.084  12.691  11.574
  167   HB2C  DB2  24          HB        DB2  24   9.877  12.850  12.587
  168   HG1C  DB2  24          3HG       DB2  24   9.018  14.315  14.147
  169   HG2C  DB2  24          1HG       DB2  24   8.749  12.764  14.945
  170   HG3C  DB2  24          2HG       DB2  24   7.418  13.574  14.122
  171    H    LYS  25           H        LYS  25   8.962  11.144  10.625
  172    HA   LYS  25           HA       LYS  25  10.994  11.624   9.081
  173    HB2  LYS  25           2HB      LYS  25   8.749   9.864   8.802
  174    HB3  LYS  25           3HB      LYS  25   9.244  10.416   7.207
  175    HG2  LYS  25           2HG      LYS  25  11.033   9.115   9.250
  176    HG3  LYS  25           3HG      LYS  25  10.351   8.336   7.820
  177    HD2  LYS  25           2HD      LYS  25  12.252  10.681   7.832
  178    HD3  LYS  25           3HD      LYS  25  12.665   9.012   7.433
  179    HE2  LYS  25           2HE      LYS  25  10.855  10.883   5.920
  180    HE3  LYS  25           3HE      LYS  25  12.380  10.182   5.380
  181    HZ1  LYS  25           3HZ      LYS  25  10.876   8.828   4.349
  182    HZ2  LYS  25           1HZ      LYS  25   9.734   8.932   5.593
  183    HZ3  LYS  25           2HZ      LYS  25  11.106   7.962   5.784
  184    H    GLU  26           H        GLU  26   7.799  12.893   8.342
  185    HA   GLU  26           HA       GLU  26   8.141  13.865   5.796
  186    HB2  GLU  26           2HB      GLU  26   6.804  15.596   7.840
  187    HB3  GLU  26           3HB      GLU  26   6.322  15.256   6.183
  188    HG2  GLU  26           2HG      GLU  26   5.862  12.887   6.959
  189    HG3  GLU  26           3HG      GLU  26   6.025  13.506   8.601
  190    H    CYS  27           H        CYS  27   9.013  15.491   8.837
  191    HA   CYS  27           HA       CYS  27  10.833  17.210   7.284
  192    HB2  CYS  27           2HB      CYS  27   9.108  17.953   9.651
  193    HB3  CYS  27           3HB      CYS  27  10.418  18.964   9.049
  194    H    MET  28           H        MET  28  10.456  14.967   9.781
  195    HA   MET  28           HA       MET  28  13.179  15.539  10.740
  196    HB2  MET  28           2HB      MET  28  10.701  15.306  12.258
  197    HB3  MET  28           3HB      MET  28  11.946  14.204  12.831
  198    HG2  MET  28           2HG      MET  28  13.405  16.434  12.625
  199    HG3  MET  28           3HG      MET  28  11.823  17.149  12.928
  200    HE1  MET  28           3HE      MET  28  14.187  17.671  14.525
  201    HE2  MET  28           1HE      MET  28  14.094  17.138  16.204
  202    HE3  MET  28           2HE      MET  28  14.964  16.166  15.017
  203    HA   PRO  29           HA       PRO  29  13.628  11.373   9.142
  204    HB2  PRO  29           2HB      PRO  29  16.327  11.300   9.422
  205    HB3  PRO  29           3HB      PRO  29  15.522  12.127   8.083
  206    HG2  PRO  29           2HG      PRO  29  16.642  13.266  10.614
  207    HG3  PRO  29           3HG      PRO  29  16.765  13.887   8.958
  208    HD2  PRO  29           2HD      PRO  29  15.002  14.879  10.757
  209    HD3  PRO  29           3HD      PRO  29  14.659  14.821   9.017
  210    H    SER  30           H        SER  30  14.396  12.648  12.238
  211    HA   SER  30           HA       SER  30  15.366  10.185  13.367
  212    HB2  SER  30           2HB      SER  30  15.935  12.550  14.170
  213    HB3  SER  30           3HB      SER  30  14.339  12.559  14.920
  214    HG   SER  30           HG       SER  30  14.983  10.669  16.072
  215    H    CYS  31           H        CYS  31  12.714  10.214  12.053
  216    HA   CYS  31           HA       CYS  31  10.865   9.761  14.257
  217    HB2  CYS  31           2HB      CYS  31  10.605  10.566  11.544
  218    HB3  CYS  31           3HB      CYS  31   9.742   9.042  11.727
  219    H    ASN  32           H        ASN  32  13.023   7.984  14.207
  220    HA   ASN  32           HA       ASN  32  11.586   5.470  13.871
  221    HB2  ASN  32           2HB      ASN  32  13.449   4.401  12.694
  222    HB3  ASN  32           3HB      ASN  32  12.821   5.758  11.762
  223   HD21  ASN  32          1HD2      ASN  32  14.691   6.087  10.620
  224   HD22  ASN  32          2HD2      ASN  32  16.135   6.706  11.337
  Start of MODEL    5
    1    H41  2KT   1           2H4      2KT   1   0.507   4.692  11.501
    2    H42  2KT   1           3H4      2KT   1  -0.728   4.195  12.194
    3    H43  2KT   1           1H4      2KT   1  -0.102   5.492  12.615
    4    H31  2KT   1           2H3      2KT   1   0.291   4.022  14.067
    5    H32  2KT   1           3H3      2KT   1   0.732   2.948  13.118
    6    H    ILE   2           H        ILE   2   4.349   5.329  13.729
    7    HA   ILE   2           HA       ILE   2   4.064   5.607  16.533
    8    HB   ILE   2           HB       ILE   2   6.045   7.207  16.268
    9   HG12  ILE   2          2HG1      ILE   2   6.203   6.068  13.489
   10   HG13  ILE   2          3HG1      ILE   2   5.385   7.597  13.792
   11   HG21  ILE   2          1HG2      ILE   2   5.868   4.328  15.853
   12   HG22  ILE   2          2HG2      ILE   2   7.349   5.036  15.211
   13   HG23  ILE   2          3HG2      ILE   2   6.930   5.258  16.910
   14   HD11  ILE   2          3HD1      ILE   2   7.986   7.378  13.171
   15   HD12  ILE   2          1HD1      ILE   2   7.309   8.707  14.110
   16   HD13  ILE   2          2HD1      ILE   2   8.083   7.352  14.931
   17    HN2  DB2   3           H        DB2   3   4.714   8.006  17.364
   18    HA   DB2   3           HA       DB2   3   2.718   9.861  16.236
   19   HB2C  DB2   3          HB        DB2   3   5.093  10.502  17.975
   20   HG1C  DB2   3          3HG       DB2   3   4.730  10.499  14.992
   21   HG2C  DB2   3          1HG       DB2   3   6.000   9.748  15.962
   22   HG3C  DB2   3          2HG       DB2   3   5.956  11.499  15.771
   23    H    LEU   4           H        LEU   4   2.439   7.623  18.269
   24    HA   LEU   4           HA       LEU   4   0.383   8.370  19.749
   25    HB2  LEU   4           2HB      LEU   4   2.693   6.625  20.429
   26    HB3  LEU   4           3HB      LEU   4   1.525   6.993  21.697
   27    HG   LEU   4           HG       LEU   4  -0.242   6.141  20.033
   28   HD11  LEU   4          1HD1      LEU   4   2.243   5.615  18.586
   29   HD12  LEU   4          2HD1      LEU   4   0.583   5.715  17.999
   30   HD13  LEU   4          3HD1      LEU   4   1.176   4.217  18.717
   31   HD21  LEU   4          3HD2      LEU   4   0.461   4.982  22.092
   32   HD22  LEU   4          1HD2      LEU   4   1.751   4.192  21.185
   33   HD23  LEU   4          2HD2      LEU   4   0.064   3.863  20.787
   34    H    DHA   5           H        DHA   5  -0.129   9.778  21.230
   35    HB1  DHA   5           2HB      DHA   5   1.857   9.764  23.851
   36    HB2  DHA   5           3HB      DHA   5   1.649  11.545  24.363
   37    H1   DBU   6           H        DBU   6   2.371  12.811  21.609
   38    HB1  DBU   6           HB       DBU   6   0.504  16.348  21.946
   39    HG1  DBU   6           3HG      DBU   6   1.721  14.536  23.953
   40    HG2  DBU   6           1HG      DBU   6   0.009  14.169  23.835
   41    HG3  DBU   6           2HG      DBU   6   0.528  15.793  24.293
   42    H    CYS   7           H        CYS   7   1.705  12.975  19.344
   43    HA   CYS   7           HA       CYS   7   2.278  14.928  17.405
   44    HB2  CYS   7           2HB      CYS   7   1.489  12.027  17.071
   45    HB3  CYS   7           3HB      CYS   7   2.126  13.042  15.782
   46    H    ALA   8           H        ALA   8  -0.546  12.750  17.581
   47    HA   ALA   8           HA       ALA   8  -1.998  14.215  15.608
   48    HB1  ALA   8           1HB      ALA   8  -2.298  11.787  16.055
   49    HB2  ALA   8           2HB      ALA   8  -3.079  12.208  17.580
   50    HB3  ALA   8           3HB      ALA   8  -3.805  12.703  16.051
   51    H    ILE   9           H        ILE   9  -1.189  15.121  18.611
   52    HA   ILE   9           HA       ILE   9  -3.770  16.297  19.323
   53    HB   ILE   9           HB       ILE   9  -1.162  16.351  20.846
   54   HG12  ILE   9          2HG1      ILE   9  -3.544  14.519  20.931
   55   HG13  ILE   9          3HG1      ILE   9  -1.835  14.103  20.873
   56   HG21  ILE   9          1HG2      ILE   9  -3.953  17.135  21.674
   57   HG22  ILE   9          2HG2      ILE   9  -2.546  17.084  22.735
   58   HG23  ILE   9          3HG2      ILE   9  -2.600  18.231  21.396
   59   HD11  ILE   9          3HD1      ILE   9  -2.550  13.587  23.043
   60   HD12  ILE   9          1HD1      ILE   9  -1.660  15.102  23.190
   61   HD13  ILE   9          2HD1      ILE   9  -3.424  15.110  23.206
   62    H    LEU  10           H        LEU  10  -0.413  17.290  18.704
   63    HA   LEU  10           HA       LEU  10  -1.275  20.077  18.513
   64    HB2  LEU  10           2HB      LEU  10   0.850  19.129  19.742
   65    HB3  LEU  10           3HB      LEU  10   1.551  19.216  18.127
   66    HG   LEU  10           HG       LEU  10   0.978  21.646  18.088
   67   HD11  LEU  10          1HD1      LEU  10   0.794  22.279  20.766
   68   HD12  LEU  10          2HD1      LEU  10  -0.302  20.909  20.587
   69   HD13  LEU  10          3HD1      LEU  10  -0.514  22.345  19.585
   70   HD21  LEU  10          3HD2      LEU  10   2.965  22.204  19.035
   71   HD22  LEU  10          1HD2      LEU  10   3.168  20.453  19.013
   72   HD23  LEU  10          2HD2      LEU  10   2.663  21.263  20.496
   73    H    DAL  11           H        DAL  11  -1.780  17.880  16.490
   74    HA   DAL  11           HA       DAL  11  -1.827  17.626  14.236
   75    HB2  DAL  11           2HB      DAL  11   0.831  17.989  14.841
   76    HB3  DAL  11           3HB      DAL  11   0.550  19.217  13.608
   77    H    LYS  12           H        LYS  12  -2.760  18.677  12.537
   78    HA   LYS  12           HA       LYS  12  -3.221  21.551  12.896
   79    HB2  LYS  12           2HB      LYS  12  -3.073  21.734  10.342
   80    HB3  LYS  12           3HB      LYS  12  -1.563  21.618  11.237
   81    HG2  LYS  12           2HG      LYS  12  -1.275  19.345  10.626
   82    HG3  LYS  12           3HG      LYS  12  -2.913  19.246   9.976
   83    HD2  LYS  12           2HD      LYS  12  -1.496  19.447   8.100
   84    HD3  LYS  12           3HD      LYS  12  -2.210  21.045   8.327
   85    HE2  LYS  12           2HE      LYS  12   0.287  20.955   7.853
   86    HE3  LYS  12           3HE      LYS  12  -0.228  21.919   9.236
   87    HZ1  LYS  12           3HZ      LYS  12   1.733  20.190   9.401
   88    HZ2  LYS  12           1HZ      LYS  12   0.461  19.120   9.718
   89    HZ3  LYS  12           2HZ      LYS  12   0.692  20.474  10.704
   90    HA   PRO  13           HA       PRO  13  -7.430  20.641  12.043
   91    HB2  PRO  13           2HB      PRO  13  -8.233  22.905  10.780
   92    HB3  PRO  13           3HB      PRO  13  -7.885  22.843  12.512
   93    HG2  PRO  13           2HG      PRO  13  -6.160  23.814  10.266
   94    HG3  PRO  13           3HG      PRO  13  -6.426  24.534  11.865
   95    HD2  PRO  13           2HD      PRO  13  -4.223  23.075  11.273
   96    HD3  PRO  13           3HD      PRO  13  -4.943  23.102  12.896
   97    H    LEU  14           H        LEU  14  -9.104  21.013  10.111
   98    HA   LEU  14           HA       LEU  14  -8.055  19.476   7.915
   99    HB2  LEU  14           2HB      LEU  14 -10.572  19.890   9.095
  100    HB3  LEU  14           3HB      LEU  14 -10.701  20.480   7.440
  101    HG   LEU  14           HG       LEU  14 -11.433  18.199   7.513
  102   HD11  LEU  14          1HD1      LEU  14  -8.765  18.659   6.225
  103   HD12  LEU  14          2HD1      LEU  14 -10.366  18.644   5.485
  104   HD13  LEU  14          3HD1      LEU  14  -9.636  17.136   6.037
  105   HD21  LEU  14          3HD2      LEU  14  -8.872  17.765   9.001
  106   HD22  LEU  14          1HD2      LEU  14  -9.632  16.444   8.113
  107   HD23  LEU  14          2HD2      LEU  14 -10.508  17.249   9.416
  108    H    GLY  15           H        GLY  15  -9.584  20.435   5.781
  109    HA2  GLY  15           2HA      GLY  15  -9.774  22.191   4.253
  110    HA3  GLY  15           3HA      GLY  15  -8.898  23.226   5.370
  111    H    ASN  16           H        ASN  16  -8.720  21.964   2.405
  112    HA   ASN  16           HA       ASN  16  -7.055  21.380   0.946
  113    HB2  ASN  16           2HB      ASN  16  -6.334  23.526   0.748
  114    HB3  ASN  16           3HB      ASN  16  -6.161  23.736   2.488
  115   HD21  ASN  16          1HD2      ASN  16  -4.645  22.555  -0.422
  116   HD22  ASN  16          2HD2      ASN  16  -3.033  22.519   0.198
  117    H    ASN  17           H        ASN  17  -6.546  19.269   1.374
  118    HA   ASN  17           HA       ASN  17  -5.359  17.468   2.106
  119    HB2  ASN  17           2HB      ASN  17  -3.014  17.666   2.023
  120    HB3  ASN  17           3HB      ASN  17  -3.594  18.925   0.936
  121   HD21  ASN  17          1HD2      ASN  17  -2.241  20.562   1.084
  122   HD22  ASN  17          2HD2      ASN  17  -1.662  21.270   2.550
  123    H    GLY  18           H        GLY  18  -3.629  16.838   3.972
  124    HA2  GLY  18           2HA      GLY  18  -3.126  17.673   6.331
  125    HA3  GLY  18           3HA      GLY  18  -4.872  17.832   6.456
  126    H    TYR  19           H        TYR  19  -2.201  15.581   6.222
  127    HA   TYR  19           HA       TYR  19  -4.019  13.369   6.888
  128    HB2  TYR  19           2HB      TYR  19  -2.266  13.368   4.902
  129    HB3  TYR  19           3HB      TYR  19  -1.153  12.909   6.186
  130    HD1  TYR  19           HD2      TYR  19  -4.526  11.968   4.876
  131    HD2  TYR  19           HD1      TYR  19  -0.870  10.659   6.614
  132    HE1  TYR  19           HE2      TYR  19  -5.276   9.633   4.682
  133    HE2  TYR  19           HE1      TYR  19  -1.609   8.321   6.423
  134    HH   TYR  19           HH       TYR  19  -4.713   7.493   4.916
  135    H    LEU  20           H        LEU  20  -2.318  11.602   8.056
  136    HA   LEU  20           HA       LEU  20  -2.348  12.198  10.714
  137    HB2  LEU  20           2HB      LEU  20  -1.883   9.975   9.772
  138    HB3  LEU  20           3HB      LEU  20  -0.271  10.519   9.313
  139    HG   LEU  20           HG       LEU  20   0.225  10.858  11.736
  140   HD11  LEU  20          1HD1      LEU  20  -1.209  10.136  13.419
  141   HD12  LEU  20          2HD1      LEU  20  -2.215   9.215  12.302
  142   HD13  LEU  20          3HD1      LEU  20  -2.279  10.978  12.298
  143   HD21  LEU  20          3HD2      LEU  20   1.165   8.914  10.967
  144   HD22  LEU  20          1HD2      LEU  20  -0.389   8.210  10.518
  145   HD23  LEU  20          2HD2      LEU  20   0.090   8.279  12.214
  146    H    CYS  21           H        CYS  21  -0.949  13.058  12.227
  147    HA   CYS  21           HA       CYS  21   1.020  14.926  11.155
  148    HB2  CYS  21           2HB      CYS  21  -0.822  14.999  13.304
  149    HB3  CYS  21           3HB      CYS  21   0.789  15.049  14.013
  150    HN2  DB2  22           H        DB2  22   2.684  15.204  13.344
  151    HA   DB2  22           HA       DB2  22   3.787  12.855  14.380
  152   HB2C  DB2  22          HB        DB2  22   5.230  15.422  13.738
  153   HG1C  DB2  22          3HG       DB2  22   3.001  15.081  15.338
  154   HG2C  DB2  22          1HG       DB2  22   4.132  16.436  15.392
  155   HG3C  DB2  22          2HG       DB2  22   4.341  15.070  16.486
  156    H    VAL  23           H        VAL  23   4.334  14.512  11.333
  157    HA   VAL  23           HA       VAL  23   6.227  12.390  10.563
  158    HB   VAL  23           HB       VAL  23   4.192  13.518   8.654
  159   HG11  VAL  23          1HG1      VAL  23   5.304  10.799   8.375
  160   HG12  VAL  23          2HG1      VAL  23   4.985  12.030   7.150
  161   HG13  VAL  23          3HG1      VAL  23   6.438  12.131   8.146
  162   HG21  VAL  23          3HG2      VAL  23   2.605  12.432   9.794
  163   HG22  VAL  23          1HG2      VAL  23   3.369  10.950   9.221
  164   HG23  VAL  23          2HG2      VAL  23   3.786  11.601  10.806
  165    HN2  DB2  24           H        DB2  24   7.848  12.958   9.137
  166    HA   DB2  24           HA       DB2  24   7.970  15.563   7.928
  167   HB2C  DB2  24          HB        DB2  24  10.380  13.842   8.205
  168   HG1C  DB2  24          3HG       DB2  24   9.063  12.053   7.724
  169   HG2C  DB2  24          1HG       DB2  24   9.291  12.648   6.077
  170   HG3C  DB2  24          2HG       DB2  24   7.814  13.036   6.959
  171    H    LYS  25           H        LYS  25  10.350  16.598   8.199
  172    HA   LYS  25           HA       LYS  25  11.959  16.738  10.238
  173    HB2  LYS  25           2HB      LYS  25  10.770  18.758   8.586
  174    HB3  LYS  25           3HB      LYS  25  10.982  19.397  10.211
  175    HG2  LYS  25           2HG      LYS  25  13.139  18.140   8.525
  176    HG3  LYS  25           3HG      LYS  25  12.907  19.870   8.789
  177    HD2  LYS  25           2HD      LYS  25  13.492  17.831  10.936
  178    HD3  LYS  25           3HD      LYS  25  14.667  18.945  10.233
  179    HE2  LYS  25           2HE      LYS  25  12.877  20.741  10.962
  180    HE3  LYS  25           3HE      LYS  25  12.411  19.480  12.103
  181    HZ1  LYS  25           3HZ      LYS  25  15.187  20.486  11.816
  182    HZ2  LYS  25           1HZ      LYS  25  14.583  19.469  13.026
  183    HZ3  LYS  25           2HZ      LYS  25  14.088  21.085  12.955
  184    H    GLU  26           H        GLU  26   8.544  17.509  10.538
  185    HA   GLU  26           HA       GLU  26   8.429  18.629  13.047
  186    HB2  GLU  26           2HB      GLU  26   6.426  16.535  12.299
  187    HB3  GLU  26           3HB      GLU  26   6.171  18.089  13.080
  188    HG2  GLU  26           2HG      GLU  26   6.844  19.140  10.871
  189    HG3  GLU  26           3HG      GLU  26   6.680  17.527  10.179
  190    H    CYS  27           H        CYS  27   8.430  15.164  12.245
  191    HA   CYS  27           HA       CYS  27   9.253  14.620  15.021
  192    HB2  CYS  27           2HB      CYS  27   7.383  13.045  13.251
  193    HB3  CYS  27           3HB      CYS  27   8.104  12.380  14.713
  194    H    MET  28           H        MET  28   9.947  14.328  11.716
  195    HA   MET  28           HA       MET  28  12.141  12.463  12.326
  196    HB2  MET  28           2HB      MET  28  10.056  11.738  10.785
  197    HB3  MET  28           3HB      MET  28  11.073  12.486   9.561
  198    HG2  MET  28           2HG      MET  28  11.748  10.298   9.462
  199    HG3  MET  28           3HG      MET  28  12.938  10.992  10.560
  200    HE1  MET  28           3HE      MET  28   9.636   9.395  10.149
  201    HE2  MET  28           1HE      MET  28  10.339   7.809  10.465
  202    HE3  MET  28           2HE      MET  28   9.272   8.553  11.656
  203    HA   PRO  29           HA       PRO  29  14.391  16.045  10.848
  204    HB2  PRO  29           2HB      PRO  29  16.846  15.052  11.445
  205    HB3  PRO  29           3HB      PRO  29  15.771  15.753  12.661
  206    HG2  PRO  29           2HG      PRO  29  16.256  12.875  11.995
  207    HG3  PRO  29           3HG      PRO  29  16.109  13.646  13.585
  208    HD2  PRO  29           2HD      PRO  29  14.074  12.279  12.436
  209    HD3  PRO  29           3HD      PRO  29  13.806  13.677  13.498
  210    H    SER  30           H        SER  30  14.466  12.795   9.755
  211    HA   SER  30           HA       SER  30  16.429  13.181   7.690
  212    HB2  SER  30           2HB      SER  30  15.632  10.966   8.888
  213    HB3  SER  30           3HB      SER  30  14.433  10.954   7.595
  214    HG   SER  30           HG       SER  30  17.230  11.181   7.175
  215    H    CYS  31           H        CYS  31  14.103  15.000   7.782
  216    HA   CYS  31           HA       CYS  31  12.650  14.324   5.342
  217    HB2  CYS  31           2HB      CYS  31  12.045  15.811   7.700
  218    HB3  CYS  31           3HB      CYS  31  11.934  16.903   6.323
  219    H    ASN  32           H        ASN  32  13.566  14.854   3.477
  220    HA   ASN  32           HA       ASN  32  14.544  17.558   3.080
  221    HB2  ASN  32           2HB      ASN  32  16.703  16.907   2.213
  222    HB3  ASN  32           3HB      ASN  32  16.532  16.253   3.840
  223   HD21  ASN  32          1HD2      ASN  32  17.982  14.609   3.563
  224   HD22  ASN  32          2HD2      ASN  32  17.693  13.256   2.527
  Start of MODEL    6
    1    H41  2KT   1           2H4      2KT   1  -5.165   1.973  23.863
    2    H42  2KT   1           3H4      2KT   1  -3.752   2.220  24.303
    3    H43  2KT   1           1H4      2KT   1  -4.893   2.789  25.093
    4    H31  2KT   1           2H3      2KT   1  -5.402   4.211  23.770
    5    H32  2KT   1           3H3      2KT   1  -3.923   4.426  23.899
    6    H    ILE   2           H        ILE   2  -3.925   3.370  19.758
    7    HA   ILE   2           HA       ILE   2  -1.134   3.908  20.070
    8    HB   ILE   2           HB       ILE   2  -2.774   3.894  17.534
    9   HG12  ILE   2          2HG1      ILE   2  -2.779   1.779  18.992
   10   HG13  ILE   2          3HG1      ILE   2  -2.307   1.596  17.307
   11   HG21  ILE   2          1HG2      ILE   2  -0.885   4.670  16.634
   12   HG22  ILE   2          2HG2      ILE   2   0.038   4.364  18.105
   13   HG23  ILE   2          3HG2      ILE   2  -0.217   3.066  16.939
   14   HD11  ILE   2          3HD1      ILE   2  -0.011   2.147  18.942
   15   HD12  ILE   2          1HD1      ILE   2  -0.906   0.761  19.563
   16   HD13  ILE   2          2HD1      ILE   2  -0.342   0.770  17.892
   17    HN2  DB2   3           H        DB2   3  -0.234   5.823  20.319
   18    HA   DB2   3           HA       DB2   3  -1.694   8.213  19.404
   19   HB2C  DB2   3          HB        DB2   3   1.281   7.794  19.160
   20   HG1C  DB2   3          3HG       DB2   3   0.152   6.362  17.601
   21   HG2C  DB2   3          1HG       DB2   3   0.822   7.730  16.708
   22   HG3C  DB2   3          2HG       DB2   3  -0.901   7.677  17.078
   23    H    LEU   4           H        LEU   4  -1.861   7.283  21.978
   24    HA   LEU   4           HA       LEU   4  -1.587   9.344  23.607
   25    HB2  LEU   4           2HB      LEU   4  -1.093   6.449  24.141
   26    HB3  LEU   4           3HB      LEU   4  -0.856   7.622  25.435
   27    HG   LEU   4           HG       LEU   4  -3.167   8.260  25.361
   28   HD11  LEU   4          1HD1      LEU   4  -4.754   7.304  23.812
   29   HD12  LEU   4          2HD1      LEU   4  -3.484   6.337  23.062
   30   HD13  LEU   4          3HD1      LEU   4  -3.454   8.094  22.920
   31   HD21  LEU   4          3HD2      LEU   4  -2.850   6.403  26.758
   32   HD22  LEU   4          1HD2      LEU   4  -2.659   5.300  25.395
   33   HD23  LEU   4          2HD2      LEU   4  -4.243   5.984  25.760
   34    H    DHA   5           H        DHA   5  -0.100  10.570  24.481
   35    HB1  DHA   5           2HB      DHA   5   2.460   8.859  25.724
   36    HB2  DHA   5           3HB      DHA   5   3.766  10.176  25.537
   37    H1   DBU   6           H        DBU   6   3.417  10.748  22.606
   38    HB1  DBU   6           HB       DBU   6   4.679  14.574  22.408
   39    HG1  DBU   6           3HG      DBU   6   3.994  13.729  25.000
   40    HG2  DBU   6           1HG      DBU   6   5.680  13.914  24.547
   41    HG3  DBU   6           2HG      DBU   6   4.914  12.327  24.444
   42    H    CYS   7           H        CYS   7   2.802  11.102  20.565
   43    HA   CYS   7           HA       CYS   7   3.171  12.587  18.199
   44    HB2  CYS   7           2HB      CYS   7   2.290  10.748  17.068
   45    HB3  CYS   7           3HB      CYS   7   2.934  10.025  18.539
   46    H    ALA   8           H        ALA   8   0.665  12.592  20.529
   47    HA   ALA   8           HA       ALA   8  -1.251  13.819  18.690
   48    HB1  ALA   8           1HB      ALA   8  -1.880  13.418  21.566
   49    HB2  ALA   8           2HB      ALA   8  -2.914  13.251  20.146
   50    HB3  ALA   8           3HB      ALA   8  -1.740  11.994  20.535
   51    H    ILE   9           H        ILE   9   1.234  14.773  20.663
   52    HA   ILE   9           HA       ILE   9  -0.034  17.270  21.504
   53    HB   ILE   9           HB       ILE   9   2.761  16.289  22.087
   54   HG12  ILE   9          2HG1      ILE   9   0.165  15.993  23.585
   55   HG13  ILE   9          3HG1      ILE   9   1.326  14.744  23.150
   56   HG21  ILE   9          1HG2      ILE   9   2.958  18.051  23.613
   57   HG22  ILE   9          2HG2      ILE   9   2.213  18.785  22.194
   58   HG23  ILE   9          3HG2      ILE   9   1.225  18.378  23.596
   59   HD11  ILE   9          3HD1      ILE   9   1.831  16.934  25.149
   60   HD12  ILE   9          1HD1      ILE   9   1.333  15.290  25.548
   61   HD13  ILE   9          2HD1      ILE   9   2.892  15.576  24.774
   62    H    LEU  10           H        LEU  10   2.783  16.148  19.649
   63    HA   LEU  10           HA       LEU  10   3.137  18.841  18.566
   64    HB2  LEU  10           2HB      LEU  10   5.012  17.266  19.465
   65    HB3  LEU  10           3HB      LEU  10   4.878  16.512  17.877
   66    HG   LEU  10           HG       LEU  10   5.628  18.460  16.778
   67   HD11  LEU  10          1HD1      LEU  10   4.813  19.798  19.287
   68   HD12  LEU  10          2HD1      LEU  10   4.648  20.323  17.611
   69   HD13  LEU  10          3HD1      LEU  10   6.202  20.472  18.433
   70   HD21  LEU  10          3HD2      LEU  10   7.704  19.070  18.296
   71   HD22  LEU  10          1HD2      LEU  10   7.567  17.500  17.503
   72   HD23  LEU  10          2HD2      LEU  10   7.146  17.666  19.207
   73    H    DAL  11           H        DAL  11   0.975  16.817  17.849
   74    HA   DAL  11           HA       DAL  11  -0.147  16.122  16.004
   75    HB2  DAL  11           2HB      DAL  11   1.921  14.776  15.646
   76    HB3  DAL  11           3HB      DAL  11   2.555  16.084  14.649
   77    H    LYS  12           H        LYS  12  -0.496  18.671  16.377
   78    HA   LYS  12           HA       LYS  12  -1.420  20.408  15.157
   79    HB2  LYS  12           2HB      LYS  12   0.482  21.827  14.185
   80    HB3  LYS  12           3HB      LYS  12   0.532  21.473  15.907
   81    HG2  LYS  12           2HG      LYS  12   2.224  19.837  15.611
   82    HG3  LYS  12           3HG      LYS  12   2.037  19.871  13.856
   83    HD2  LYS  12           2HD      LYS  12   3.058  22.119  15.592
   84    HD3  LYS  12           3HD      LYS  12   4.025  21.101  14.522
   85    HE2  LYS  12           2HE      LYS  12   2.370  21.942  12.691
   86    HE3  LYS  12           3HE      LYS  12   2.053  23.241  13.839
   87    HZ1  LYS  12           3HZ      LYS  12   3.794  23.818  12.248
   88    HZ2  LYS  12           1HZ      LYS  12   4.731  22.515  12.782
   89    HZ3  LYS  12           2HZ      LYS  12   4.389  23.796  13.831
   90    HA   PRO  13           HA       PRO  13  -1.575  18.278  11.070
   91    HB2  PRO  13           2HB      PRO  13  -4.271  18.487  10.824
   92    HB3  PRO  13           3HB      PRO  13  -3.486  17.166  11.697
   93    HG2  PRO  13           2HG      PRO  13  -4.744  19.661  12.769
   94    HG3  PRO  13           3HG      PRO  13  -4.863  17.999  13.375
   95    HD2  PRO  13           2HD      PRO  13  -3.216  19.840  14.486
   96    HD3  PRO  13           3HD      PRO  13  -2.824  18.109  14.444
   97    H    LEU  14           H        LEU  14  -1.891  19.179   9.036
   98    HA   LEU  14           HA       LEU  14  -1.841  22.045   8.928
   99    HB2  LEU  14           2HB      LEU  14  -1.864  21.508   6.386
  100    HB3  LEU  14           3HB      LEU  14  -0.441  21.136   7.356
  101    HG   LEU  14           HG       LEU  14  -2.473  18.999   6.935
  102   HD11  LEU  14          1HD1      LEU  14  -0.760  18.536   4.889
  103   HD12  LEU  14          2HD1      LEU  14  -0.907  20.292   4.815
  104   HD13  LEU  14          3HD1      LEU  14  -2.349  19.281   4.712
  105   HD21  LEU  14          3HD2      LEU  14  -0.844  17.673   7.690
  106   HD22  LEU  14          1HD2      LEU  14  -0.028  19.155   8.187
  107   HD23  LEU  14          2HD2      LEU  14   0.363  18.411   6.636
  108    H    GLY  15           H        GLY  15  -3.161  22.853   6.766
  109    HA2  GLY  15           2HA      GLY  15  -5.847  23.021   7.645
  110    HA3  GLY  15           3HA      GLY  15  -5.227  23.610   6.109
  111    H    ASN  16           H        ASN  16  -5.772  22.560   4.293
  112    HA   ASN  16           HA       ASN  16  -7.815  20.686   4.241
  113    HB2  ASN  16           2HB      ASN  16  -7.485  20.554   1.911
  114    HB3  ASN  16           3HB      ASN  16  -6.933  22.170   2.342
  115   HD21  ASN  16          1HD2      ASN  16  -6.190  19.395   0.691
  116   HD22  ASN  16          2HD2      ASN  16  -4.492  19.643   0.487
  117    H    ASN  17           H        ASN  17  -7.091  18.639   2.542
  118    HA   ASN  17           HA       ASN  17  -6.467  16.449   2.673
  119    HB2  ASN  17           2HB      ASN  17  -4.365  16.909   1.885
  120    HB3  ASN  17           3HB      ASN  17  -4.006  18.037   3.189
  121   HD21  ASN  17          1HD2      ASN  17  -2.153  17.276   3.979
  122   HD22  ASN  17          2HD2      ASN  17  -1.915  15.676   4.585
  123    H    GLY  18           H        GLY  18  -4.359  17.406   5.331
  124    HA2  GLY  18           2HA      GLY  18  -4.556  17.027   7.617
  125    HA3  GLY  18           3HA      GLY  18  -6.172  16.393   7.345
  126    H    TYR  19           H        TYR  19  -3.248  15.288   5.726
  127    HA   TYR  19           HA       TYR  19  -3.777  12.579   6.129
  128    HB2  TYR  19           2HB      TYR  19  -2.114  13.791   4.510
  129    HB3  TYR  19           3HB      TYR  19  -0.962  13.564   5.821
  130    HD1  TYR  19           HD2      TYR  19  -3.482  11.584   3.893
  131    HD2  TYR  19           HD1      TYR  19   0.325  11.652   5.791
  132    HE1  TYR  19           HE2      TYR  19  -3.061   9.288   3.118
  133    HE2  TYR  19           HE1      TYR  19   0.758   9.356   5.019
  134    HH   TYR  19           HH       TYR  19  -0.022   7.858   3.174
  135    H    LEU  20           H        LEU  20  -1.717  11.245   7.130
  136    HA   LEU  20           HA       LEU  20  -2.091  11.377   9.915
  137    HB2  LEU  20           2HB      LEU  20  -0.103   9.948   8.178
  138    HB3  LEU  20           3HB      LEU  20  -0.062   9.817   9.935
  139    HG   LEU  20           HG       LEU  20  -1.195   7.926   8.744
  140   HD11  LEU  20          1HD1      LEU  20  -3.298   8.106  10.244
  141   HD12  LEU  20          2HD1      LEU  20  -2.538   9.582  10.840
  142   HD13  LEU  20          3HD1      LEU  20  -1.704   8.036  10.997
  143   HD21  LEU  20          3HD2      LEU  20  -3.257  10.052   8.172
  144   HD22  LEU  20          1HD2      LEU  20  -3.492   8.318   7.951
  145   HD23  LEU  20          2HD2      LEU  20  -2.293   9.176   6.983
  146    H    CYS  21           H        CYS  21  -0.116  11.422  11.444
  147    HA   CYS  21           HA       CYS  21   1.198  13.990  11.029
  148    HB2  CYS  21           2HB      CYS  21   0.162  12.617  13.281
  149    HB3  CYS  21           3HB      CYS  21   1.900  12.763  13.526
  150    HN2  DB2  22           H        DB2  22   3.449  13.702  12.579
  151    HA   DB2  22           HA       DB2  22   5.104  11.532  12.144
  152   HB2C  DB2  22          HB        DB2  22   5.927  14.431  12.179
  153   HG1C  DB2  22          3HG       DB2  22   5.143  14.490  14.259
  154   HG2C  DB2  22          1HG       DB2  22   6.298  13.231  14.704
  155   HG3C  DB2  22          2HG       DB2  22   4.679  12.791  14.165
  156    H    VAL  23           H        VAL  23   4.326  14.197   9.993
  157    HA   VAL  23           HA       VAL  23   6.012  12.965   7.917
  158    HB   VAL  23           HB       VAL  23   3.287  14.126   7.362
  159   HG11  VAL  23          1HG1      VAL  23   3.747  12.446   5.350
  160   HG12  VAL  23          2HG1      VAL  23   4.308  14.119   5.330
  161   HG13  VAL  23          3HG1      VAL  23   5.418  12.820   5.769
  162   HG21  VAL  23          3HG2      VAL  23   2.411  12.305   8.310
  163   HG22  VAL  23          1HG2      VAL  23   3.105  11.398   6.966
  164   HG23  VAL  23          2HG2      VAL  23   3.991  11.541   8.484
  165    HN2  DB2  24           H        DB2  24   6.891  14.348   6.384
  166    HA   DB2  24           HA       DB2  24   6.298  17.156   6.349
  167   HB2C  DB2  24          HB        DB2  24   8.797  16.061   5.164
  168   HG1C  DB2  24          3HG       DB2  24   6.067  15.094   4.602
  169   HG2C  DB2  24          1HG       DB2  24   7.629  14.300   4.384
  170   HG3C  DB2  24          2HG       DB2  24   7.056  15.462   3.189
  171    H    LYS  25           H        LYS  25   8.492  18.570   6.263
  172    HA   LYS  25           HA       LYS  25  10.722  18.387   7.592
  173    HB2  LYS  25           2HB      LYS  25   8.800  20.510   7.338
  174    HB3  LYS  25           3HB      LYS  25   9.573  20.603   8.915
  175    HG2  LYS  25           2HG      LYS  25  11.585  21.155   8.051
  176    HG3  LYS  25           3HG      LYS  25  11.356  20.174   6.601
  177    HD2  LYS  25           2HD      LYS  25  10.980  22.091   5.521
  178    HD3  LYS  25           3HD      LYS  25   9.433  22.150   6.370
  179    HE2  LYS  25           2HE      LYS  25  11.967  23.258   7.551
  180    HE3  LYS  25           3HE      LYS  25  10.913  24.217   6.513
  181    HZ1  LYS  25           3HZ      LYS  25  10.250  24.676   8.699
  182    HZ2  LYS  25           1HZ      LYS  25  10.291  23.049   9.160
  183    HZ3  LYS  25           2HZ      LYS  25   9.082  23.601   8.115
  184    H    GLU  26           H        GLU  26   7.602  18.199   9.197
  185    HA   GLU  26           HA       GLU  26   8.312  18.363  11.849
  186    HB2  GLU  26           2HB      GLU  26   6.394  16.232  10.986
  187    HB3  GLU  26           3HB      GLU  26   6.293  17.331  12.354
  188    HG2  GLU  26           2HG      GLU  26   5.988  19.187  10.655
  189    HG3  GLU  26           3HG      GLU  26   5.750  17.911   9.462
  190    H    CYS  27           H        CYS  27   8.365  15.464   9.790
  191    HA   CYS  27           HA       CYS  27  10.202  14.231  11.737
  192    HB2  CYS  27           2HB      CYS  27   7.980  12.953  10.142
  193    HB3  CYS  27           3HB      CYS  27   9.255  12.021  10.919
  194    H    MET  28           H        MET  28   9.658  15.227   8.541
  195    HA   MET  28           HA       MET  28  12.107  13.842   7.678
  196    HB2  MET  28           2HB      MET  28  10.029  14.519   5.653
  197    HB3  MET  28           3HB      MET  28  11.209  13.215   5.655
  198    HG2  MET  28           2HG      MET  28   9.865  12.151   7.494
  199    HG3  MET  28           3HG      MET  28   8.627  13.365   7.181
  200    HE1  MET  28           3HE      MET  28   7.163  10.039   5.655
  201    HE2  MET  28           1HE      MET  28   8.015  10.356   7.167
  202    HE3  MET  28           2HE      MET  28   6.748  11.455   6.622
  203    HA   PRO  29           HA       PRO  29  13.261  18.133   7.114
  204    HB2  PRO  29           2HB      PRO  29  15.851  17.609   6.493
  205    HB3  PRO  29           3HB      PRO  29  15.239  17.593   8.151
  206    HG2  PRO  29           2HG      PRO  29  15.738  15.299   6.294
  207    HG3  PRO  29           3HG      PRO  29  16.113  15.442   8.021
  208    HD2  PRO  29           2HD      PRO  29  13.951  14.093   7.107
  209    HD3  PRO  29           3HD      PRO  29  13.953  14.954   8.659
  210    H    SER  30           H        SER  30  13.259  15.546   4.865
  211    HA   SER  30           HA       SER  30  14.262  17.047   2.627
  212    HB2  SER  30           2HB      SER  30  14.350  14.498   2.932
  213    HB3  SER  30           3HB      SER  30  12.653  14.502   2.451
  214    HG   SER  30           HG       SER  30  13.256  15.428   0.486
  215    H    CYS  31           H        CYS  31  11.970  18.138   4.125
  216    HA   CYS  31           HA       CYS  31   9.787  17.976   2.193
  217    HB2  CYS  31           2HB      CYS  31   9.953  18.413   5.004
  218    HB3  CYS  31           3HB      CYS  31   9.235  19.847   4.275
  219    H    ASN  32           H        ASN  32   9.685  19.359   0.564
  220    HA   ASN  32           HA       ASN  32  11.201  21.853   0.696
  221    HB2  ASN  32           2HB      ASN  32   9.813  20.506  -1.632
  222    HB3  ASN  32           3HB      ASN  32  10.771  21.980  -1.740
  223   HD21  ASN  32          1HD2      ASN  32  11.852  20.532  -3.354
  224   HD22  ASN  32          2HD2      ASN  32  13.159  19.558  -2.782
  Start of MODEL    7
    1    H41  2KT   1           2H4      2KT   1  -3.535   2.630  19.544
    2    H42  2KT   1           3H4      2KT   1  -2.290   3.449  19.373
    3    H43  2KT   1           1H4      2KT   1  -2.453   2.164  18.616
    4    H31  2KT   1           2H3      2KT   1  -2.501   2.299  21.261
    5    H32  2KT   1           3H3      2KT   1  -2.459   0.975  20.558
    6    H    ILE   2           H        ILE   2   1.733   2.259  20.578
    7    HA   ILE   2           HA       ILE   2   1.834   4.084  22.665
    8    HB   ILE   2           HB       ILE   2   4.030   4.636  21.985
    9   HG12  ILE   2          2HG1      ILE   2   3.458   5.284  19.660
   10   HG13  ILE   2          3HG1      ILE   2   4.902   4.281  19.743
   11   HG21  ILE   2          1HG2      ILE   2   4.538   2.144  20.837
   12   HG22  ILE   2          2HG2      ILE   2   4.591   2.562  22.548
   13   HG23  ILE   2          3HG2      ILE   2   3.110   1.912  21.846
   14   HD11  ILE   2          3HD1      ILE   2   3.570   2.335  19.085
   15   HD12  ILE   2          1HD1      ILE   2   2.143   3.365  18.967
   16   HD13  ILE   2          2HD1      ILE   2   3.511   3.623  17.883
   17    HN2  DB2   3           H        DB2   3   2.446   6.402  22.521
   18    HA   DB2   3           HA       DB2   3   1.030   7.773  20.326
   19   HB2C  DB2   3          HB        DB2   3   3.153   8.879  22.156
   20   HG1C  DB2   3          3HG       DB2   3   4.552   8.761  20.016
   21   HG2C  DB2   3          1HG       DB2   3   3.301   7.676  19.405
   22   HG3C  DB2   3          2HG       DB2   3   4.215   7.243  20.848
   23    H    LEU   4           H        LEU   4   0.053   6.643  22.982
   24    HA   LEU   4           HA       LEU   4  -2.075   8.106  23.538
   25    HB2  LEU   4           2HB      LEU   4  -0.230   6.634  25.337
   26    HB3  LEU   4           3HB      LEU   4  -1.477   7.631  26.084
   27    HG   LEU   4           HG       LEU   4  -3.099   6.310  24.547
   28   HD11  LEU   4          1HD1      LEU   4  -0.767   4.404  24.658
   29   HD12  LEU   4          2HD1      LEU   4  -1.343   5.234  23.213
   30   HD13  LEU   4          3HD1      LEU   4  -2.375   4.057  24.023
   31   HD21  LEU   4          3HD2      LEU   4  -1.840   4.748  26.780
   32   HD22  LEU   4          1HD2      LEU   4  -3.535   4.817  26.296
   33   HD23  LEU   4          2HD2      LEU   4  -2.785   6.207  27.081
   34    H    DHA   5           H        DHA   5  -2.596  10.048  24.167
   35    HB1  DHA   5           2HB      DHA   5  -1.098  11.020  26.930
   36    HB2  DHA   5           3HB      DHA   5  -1.103  12.857  26.613
   37    H1   DBU   6           H        DBU   6   0.255  12.757  23.811
   38    HB1  DBU   6           HB       DBU   6  -1.127  16.202  22.250
   39    HG1  DBU   6           3HG      DBU   6  -2.483  15.293  24.562
   40    HG2  DBU   6           1HG      DBU   6  -1.423  16.691  24.627
   41    HG3  DBU   6           2HG      DBU   6  -0.797  15.096  25.053
   42    H    CYS   7           H        CYS   7  -0.043  11.971  21.572
   43    HA   CYS   7           HA       CYS   7   1.319  12.874  19.273
   44    HB2  CYS   7           2HB      CYS   7   0.081  10.190  19.911
   45    HB3  CYS   7           3HB      CYS   7   1.110  10.494  18.515
   46    H    ALA   8           H        ALA   8  -1.862  11.274  19.529
   47    HA   ALA   8           HA       ALA   8  -2.588  11.745  16.841
   48    HB1  ALA   8           1HB      ALA   8  -4.128  10.265  17.436
   49    HB2  ALA   8           2HB      ALA   8  -3.745  10.499  19.142
   50    HB3  ALA   8           3HB      ALA   8  -4.946  11.526  18.359
   51    H    ILE   9           H        ILE   9  -2.190  13.917  19.305
   52    HA   ILE   9           HA       ILE   9  -4.344  15.700  18.447
   53    HB   ILE   9           HB       ILE   9  -2.327  16.125  20.653
   54   HG12  ILE   9          2HG1      ILE   9  -5.076  14.891  20.656
   55   HG13  ILE   9          3HG1      ILE   9  -3.582  14.233  21.315
   56   HG21  ILE   9          1HG2      ILE   9  -4.959  17.499  20.129
   57   HG22  ILE   9          2HG2      ILE   9  -3.807  17.871  21.411
   58   HG23  ILE   9          3HG2      ILE   9  -3.376  18.164  19.726
   59   HD11  ILE   9          3HD1      ILE   9  -5.009  14.931  23.107
   60   HD12  ILE   9          1HD1      ILE   9  -3.611  16.004  23.033
   61   HD13  ILE   9          2HD1      ILE   9  -5.170  16.541  22.406
   62    H    LEU  10           H        LEU  10  -0.806  15.689  18.796
   63    HA   LEU  10           HA       LEU  10  -0.643  18.111  17.164
   64    HB2  LEU  10           2HB      LEU  10   0.782  17.213  19.366
   65    HB3  LEU  10           3HB      LEU  10   1.886  16.969  18.014
   66    HG   LEU  10           HG       LEU  10   0.539  19.611  18.510
   67   HD11  LEU  10          1HD1      LEU  10   2.028  20.228  20.077
   68   HD12  LEU  10          2HD1      LEU  10   3.335  19.285  19.362
   69   HD13  LEU  10          3HD1      LEU  10   2.133  18.494  20.382
   70   HD21  LEU  10          3HD2      LEU  10   2.476  18.529  16.622
   71   HD22  LEU  10          1HD2      LEU  10   3.030  20.004  17.415
   72   HD23  LEU  10          2HD2      LEU  10   1.502  19.998  16.533
   73    H    DAL  11           H        DAL  11  -1.249  15.259  16.246
   74    HA   DAL  11           HA       DAL  11  -0.807  13.948  14.451
   75    HB2  DAL  11           2HB      DAL  11   1.165  13.130  15.305
   76    HB3  DAL  11           3HB      DAL  11   1.922  14.720  15.381
   77    H    LYS  12           H        LYS  12  -1.553  14.573  12.545
   78    HA   LYS  12           HA       LYS  12  -0.295  15.662  10.466
   79    HB2  LYS  12           2HB      LYS  12  -2.374  16.280   9.524
   80    HB3  LYS  12           3HB      LYS  12  -2.726  14.931  10.597
   81    HG2  LYS  12           2HG      LYS  12  -3.357  16.651  12.338
   82    HG3  LYS  12           3HG      LYS  12  -3.282  17.848  11.043
   83    HD2  LYS  12           2HD      LYS  12  -5.484  17.315  10.872
   84    HD3  LYS  12           3HD      LYS  12  -4.834  16.038   9.842
   85    HE2  LYS  12           2HE      LYS  12  -5.089  15.545  12.770
   86    HE3  LYS  12           3HE      LYS  12  -6.539  15.495  11.769
   87    HZ1  LYS  12           3HZ      LYS  12  -4.639  14.023  10.418
   88    HZ2  LYS  12           1HZ      LYS  12  -5.982  13.427  11.257
   89    HZ3  LYS  12           2HZ      LYS  12  -4.487  13.557  12.037
   90    HA   PRO  13           HA       PRO  13   0.974  19.766  11.437
   91    HB2  PRO  13           2HB      PRO  13   1.294  20.713   8.913
   92    HB3  PRO  13           3HB      PRO  13   2.421  19.575   9.662
   93    HG2  PRO  13           2HG      PRO  13   0.192  19.043   7.735
   94    HG3  PRO  13           3HG      PRO  13   1.833  18.372   7.761
   95    HD2  PRO  13           2HD      PRO  13  -0.313  17.009   8.692
   96    HD3  PRO  13           3HD      PRO  13   1.310  16.824   9.387
   97    H    LEU  14           H        LEU  14   0.492  22.090  10.429
   98    HA   LEU  14           HA       LEU  14  -2.398  22.412  10.638
   99    HB2  LEU  14           2HB      LEU  14  -1.679  24.898  10.651
  100    HB3  LEU  14           3HB      LEU  14  -1.378  23.896  12.068
  101    HG   LEU  14           HG       LEU  14   0.764  24.280  10.013
  102   HD11  LEU  14          1HD1      LEU  14   1.577  26.179  11.439
  103   HD12  LEU  14          2HD1      LEU  14  -0.015  26.201  12.195
  104   HD13  LEU  14          3HD1      LEU  14   0.145  26.526  10.469
  105   HD21  LEU  14          3HD2      LEU  14   1.952  23.105  11.471
  106   HD22  LEU  14          1HD2      LEU  14   0.516  22.926  12.478
  107   HD23  LEU  14          2HD2      LEU  14   1.610  24.284  12.737
  108    H    GLY  15           H        GLY  15  -3.628  23.636   9.150
  109    HA2  GLY  15           2HA      GLY  15  -4.337  24.021   6.990
  110    HA3  GLY  15           3HA      GLY  15  -2.849  24.952   6.894
  111    H    ASN  16           H        ASN  16  -3.494  21.453   7.080
  112    HA   ASN  16           HA       ASN  16  -2.025  21.155   4.543
  113    HB2  ASN  16           2HB      ASN  16  -0.981  19.159   5.353
  114    HB3  ASN  16           3HB      ASN  16  -0.741  20.401   6.578
  115   HD21  ASN  16          1HD2      ASN  16  -1.272  17.279   6.287
  116   HD22  ASN  16          2HD2      ASN  16  -2.250  16.971   7.678
  117    H    ASN  17           H        ASN  17  -2.389  18.444   4.181
  118    HA   ASN  17           HA       ASN  17  -5.131  18.388   3.297
  119    HB2  ASN  17           2HB      ASN  17  -3.288  17.504   1.896
  120    HB3  ASN  17           3HB      ASN  17  -2.997  16.250   3.099
  121   HD21  ASN  17          1HD2      ASN  17  -3.361  14.972   1.068
  122   HD22  ASN  17          2HD2      ASN  17  -4.981  14.471   0.739
  123    H    GLY  18           H        GLY  18  -4.175  18.130   6.243
  124    HA2  GLY  18           2HA      GLY  18  -4.934  17.074   8.133
  125    HA3  GLY  18           3HA      GLY  18  -6.322  16.592   7.169
  126    H    TYR  19           H        TYR  19  -3.355  15.556   5.889
  127    HA   TYR  19           HA       TYR  19  -4.000  12.829   6.123
  128    HB2  TYR  19           2HB      TYR  19  -2.362  14.117   4.504
  129    HB3  TYR  19           3HB      TYR  19  -1.165  13.693   5.723
  130    HD1  TYR  19           HD1      TYR  19  -4.054  11.861   4.206
  131    HD2  TYR  19           HD2      TYR  19   0.124  11.921   5.011
  132    HE1  TYR  19           HE1      TYR  19  -3.834   9.625   3.204
  133    HE2  TYR  19           HE2      TYR  19   0.355   9.686   4.010
  134    HH   TYR  19           HH       TYR  19  -2.372   7.743   3.205
  135    H    LEU  20           H        LEU  20  -1.936  11.377   6.931
  136    HA   LEU  20           HA       LEU  20  -2.101  11.510   9.773
  137    HB2  LEU  20           2HB      LEU  20  -0.449   9.796   7.929
  138    HB3  LEU  20           3HB      LEU  20  -0.485   9.601   9.680
  139    HG   LEU  20           HG       LEU  20  -2.972   9.399   8.004
  140   HD11  LEU  20          1HD1      LEU  20  -1.603   6.940   8.918
  141   HD12  LEU  20          2HD1      LEU  20  -0.929   7.761   7.511
  142   HD13  LEU  20          3HD1      LEU  20  -2.608   7.222   7.496
  143   HD21  LEU  20          3HD2      LEU  20  -2.202   8.886  10.821
  144   HD22  LEU  20          1HD2      LEU  20  -3.366   7.787  10.080
  145   HD23  LEU  20          2HD2      LEU  20  -3.708   9.516  10.152
  146    H    CYS  21           H        CYS  21   0.258  10.922  10.844
  147    HA   CYS  21           HA       CYS  21   1.712  13.422  10.600
  148    HB2  CYS  21           2HB      CYS  21   1.147  11.638  12.708
  149    HB3  CYS  21           3HB      CYS  21   2.891  11.575  12.471
  150    HN2  DB2  22           H        DB2  22   4.248  12.655  11.374
  151    HA   DB2  22           HA       DB2  22   5.335  10.612   9.707
  152   HB2C  DB2  22          HB        DB2  22   6.737  12.927  11.033
  153   HG1C  DB2  22          3HG       DB2  22   5.820  10.261  12.047
  154   HG2C  DB2  22          1HG       DB2  22   5.655  11.860  12.776
  155   HG3C  DB2  22          2HG       DB2  22   7.222  11.053  12.766
  156    H    VAL  23           H        VAL  23   4.872  14.076   9.392
  157    HA   VAL  23           HA       VAL  23   6.055  13.952   6.697
  158    HB   VAL  23           HB       VAL  23   3.593  15.570   7.313
  159   HG11  VAL  23          1HG1      VAL  23   4.310  16.411   5.341
  160   HG12  VAL  23          2HG1      VAL  23   5.231  14.963   4.932
  161   HG13  VAL  23          3HG1      VAL  23   3.484  14.994   4.694
  162   HG21  VAL  23          3HG2      VAL  23   3.076  13.213   7.742
  163   HG22  VAL  23          1HG2      VAL  23   2.253  13.803   6.298
  164   HG23  VAL  23          2HG2      VAL  23   3.688  12.789   6.143
  165    HN2  DB2  24           H        DB2  24   7.062  15.801   5.956
  166    HA   DB2  24           HA       DB2  24   7.018  18.260   7.446
  167   HB2C  DB2  24          HB        DB2  24   9.123  17.681   5.426
  168   HG1C  DB2  24          3HG       DB2  24   7.232  18.329   3.706
  169   HG2C  DB2  24          1HG       DB2  24   6.183  17.631   4.943
  170   HG3C  DB2  24          2HG       DB2  24   7.462  16.658   4.220
  171    H    LYS  25           H        LYS  25   9.424  19.243   7.676
  172    HA   LYS  25           HA       LYS  25  11.698  18.135   8.283
  173    HB2  LYS  25           2HB      LYS  25  10.208  20.266   9.509
  174    HB3  LYS  25           3HB      LYS  25  11.140  19.419  10.737
  175    HG2  LYS  25           2HG      LYS  25  13.124  20.115   9.910
  176    HG3  LYS  25           3HG      LYS  25  12.561  20.096   8.238
  177    HD2  LYS  25           2HD      LYS  25  12.420  22.316   8.367
  178    HD3  LYS  25           3HD      LYS  25  11.053  22.088   9.460
  179    HE2  LYS  25           2HE      LYS  25  12.732  21.953  11.337
  180    HE3  LYS  25           3HE      LYS  25  13.952  22.479  10.178
  181    HZ1  LYS  25           3HZ      LYS  25  12.285  24.084  11.667
  182    HZ2  LYS  25           1HZ      LYS  25  11.674  24.171  10.092
  183    HZ3  LYS  25           2HZ      LYS  25  13.289  24.569  10.395
  184    H    GLU  26           H        GLU  26   8.782  17.471  10.126
  185    HA   GLU  26           HA       GLU  26   9.777  16.117  12.303
  186    HB2  GLU  26           2HB      GLU  26   7.403  15.003  10.860
  187    HB3  GLU  26           3HB      GLU  26   7.658  15.210  12.587
  188    HG2  GLU  26           2HG      GLU  26   7.553  17.708  12.149
  189    HG3  GLU  26           3HG      GLU  26   6.939  17.290  10.551
  190    H    CYS  27           H        CYS  27   9.053  14.776   9.090
  191    HA   CYS  27           HA       CYS  27  10.802  12.498   9.753
  192    HB2  CYS  27           2HB      CYS  27   8.224  12.528   8.182
  193    HB3  CYS  27           3HB      CYS  27   9.364  11.188   8.117
  194    H    MET  28           H        MET  28  10.139  15.095   7.673
  195    HA   MET  28           HA       MET  28  12.176  14.120   5.785
  196    HB2  MET  28           2HB      MET  28  10.067  15.994   4.822
  197    HB3  MET  28           3HB      MET  28  10.976  14.778   3.934
  198    HG2  MET  28           2HG      MET  28   9.586  13.165   5.534
  199    HG3  MET  28           3HG      MET  28   8.471  14.528   5.478
  200    HE1  MET  28           3HE      MET  28   9.637  11.591   2.254
  201    HE2  MET  28           1HE      MET  28  10.291  11.798   3.879
  202    HE3  MET  28           2HE      MET  28   8.680  11.114   3.658
  203    HA   PRO  29           HA       PRO  29  14.073  17.894   7.276
  204    HB2  PRO  29           2HB      PRO  29  16.437  17.498   6.002
  205    HB3  PRO  29           3HB      PRO  29  16.003  16.670   7.503
  206    HG2  PRO  29           2HG      PRO  29  15.861  15.677   4.682
  207    HG3  PRO  29           3HG      PRO  29  16.429  14.837   6.137
  208    HD2  PRO  29           2HD      PRO  29  13.966  14.430   5.088
  209    HD3  PRO  29           3HD      PRO  29  14.291  14.327   6.830
  210    H    SER  30           H        SER  30  13.347  16.918   4.070
  211    HA   SER  30           HA       SER  30  14.389  19.258   2.763
  212    HB2  SER  30           2HB      SER  30  13.996  16.932   1.722
  213    HB3  SER  30           3HB      SER  30  12.304  17.415   1.609
  214    HG   SER  30           HG       SER  30  12.868  18.402  -0.148
  215    H    CYS  31           H        CYS  31  12.513  19.632   5.006
  216    HA   CYS  31           HA       CYS  31  10.157  20.766   3.706
  217    HB2  CYS  31           2HB      CYS  31  10.685  19.619   6.261
  218    HB3  CYS  31           3HB      CYS  31  10.185  21.288   6.510
  219    H    ASN  32           H        ASN  32  10.408  22.737   2.884
  220    HA   ASN  32           HA       ASN  32  12.119  24.662   4.297
  221    HB2  ASN  32           2HB      ASN  32  11.388  24.240   1.452
  222    HB3  ASN  32           3HB      ASN  32  11.577  25.911   1.973
  223   HD21  ASN  32          1HD2      ASN  32  13.149  23.583   0.475
  224   HD22  ASN  32          2HD2      ASN  32  14.772  23.895   0.977
  Start of MODEL    8
    1    H41  2KT   1           2H4      2KT   1  -7.331   7.416  22.636
    2    H42  2KT   1           3H4      2KT   1  -8.589   8.201  22.406
    3    H43  2KT   1           1H4      2KT   1  -8.341   6.938  21.636
    4    H31  2KT   1           2H3      2KT   1  -8.085   8.909  20.590
    5    H32  2KT   1           3H3      2KT   1  -6.880   9.256  21.413
    6    H    ILE   2           H        ILE   2  -4.908   6.589  18.718
    7    HA   ILE   2           HA       ILE   2  -2.612   7.063  20.203
    8    HB   ILE   2           HB       ILE   2  -1.342   6.456  18.303
    9   HG12  ILE   2          2HG1      ILE   2  -2.318   8.137  16.759
   10   HG13  ILE   2          3HG1      ILE   2  -2.161   6.548  16.018
   11   HG21  ILE   2          1HG2      ILE   2  -2.187   4.415  18.535
   12   HG22  ILE   2          2HG2      ILE   2  -3.779   5.063  18.927
   13   HG23  ILE   2          3HG2      ILE   2  -3.326   4.796  17.244
   14   HD11  ILE   2          3HD1      ILE   2  -4.249   7.249  15.331
   15   HD12  ILE   2          1HD1      ILE   2  -4.619   6.233  16.724
   16   HD13  ILE   2          2HD1      ILE   2  -4.626   7.989  16.886
   17    HN2  DB2   3           H        DB2   3  -0.700   8.379  19.263
   18    HA   DB2   3           HA       DB2   3  -1.654  11.089  18.585
   19   HB2C  DB2   3          HB        DB2   3   1.069   9.906  18.068
   20   HG1C  DB2   3          3HG       DB2   3   0.238   9.982  15.643
   21   HG2C  DB2   3          1HG       DB2   3  -1.377  10.142  16.338
   22   HG3C  DB2   3          2HG       DB2   3  -0.404   8.714  16.687
   23    H    LEU   4           H        LEU   4  -1.743  10.320  21.221
   24    HA   LEU   4           HA       LEU   4  -0.770  12.300  22.675
   25    HB2  LEU   4           2HB      LEU   4  -0.735   9.390  23.440
   26    HB3  LEU   4           3HB      LEU   4  -0.429  10.692  24.587
   27    HG   LEU   4           HG       LEU   4  -2.744  11.570  23.907
   28   HD11  LEU   4          1HD1      LEU   4  -3.533  10.452  22.110
   29   HD12  LEU   4          2HD1      LEU   4  -4.127   9.346  23.348
   30   HD13  LEU   4          3HD1      LEU   4  -2.632   8.983  22.487
   31   HD21  LEU   4          3HD2      LEU   4  -3.408   9.133  25.262
   32   HD22  LEU   4          1HD2      LEU   4  -3.303  10.774  25.901
   33   HD23  LEU   4          2HD2      LEU   4  -1.867   9.751  25.859
   34    H    DHA   5           H        DHA   5   1.070  13.157  23.249
   35    HB1  DHA   5           2HB      DHA   5   3.260  10.862  24.302
   36    HB2  DHA   5           3HB      DHA   5   4.818  11.806  23.905
   37    H1   DBU   6           H        DBU   6   4.300  12.394  21.035
   38    HB1  DBU   6           HB       DBU   6   6.336  15.865  20.556
   39    HG1  DBU   6           3HG      DBU   6   6.039  13.804  22.813
   40    HG2  DBU   6           1HG      DBU   6   5.711  15.482  23.212
   41    HG3  DBU   6           2HG      DBU   6   7.321  15.010  22.663
   42    H    CYS   7           H        CYS   7   3.211  13.022  19.242
   43    HA   CYS   7           HA       CYS   7   3.929  14.089  16.661
   44    HB2  CYS   7           2HB      CYS   7   2.576  12.425  15.743
   45    HB3  CYS   7           3HB      CYS   7   3.155  11.679  17.229
   46    H    ALA   8           H        ALA   8   1.098  14.216  18.796
   47    HA   ALA   8           HA       ALA   8  -0.344  15.988  17.052
   48    HB1  ALA   8           1HB      ALA   8  -0.953  15.384  19.938
   49    HB2  ALA   8           2HB      ALA   8  -2.063  15.964  18.696
   50    HB3  ALA   8           3HB      ALA   8  -1.412  14.328  18.602
   51    H    ILE   9           H        ILE   9   2.298  16.497  18.880
   52    HA   ILE   9           HA       ILE   9   1.489  19.113  19.908
   53    HB   ILE   9           HB       ILE   9   4.136  17.692  20.216
   54   HG12  ILE   9          2HG1      ILE   9   1.657  17.759  21.921
   55   HG13  ILE   9          3HG1      ILE   9   2.579  16.361  21.380
   56   HG21  ILE   9          1HG2      ILE   9   3.003  20.120  21.598
   57   HG22  ILE   9          2HG2      ILE   9   4.516  19.320  22.020
   58   HG23  ILE   9          3HG2      ILE   9   4.339  20.096  20.447
   59   HD11  ILE   9          3HD1      ILE   9   4.423  17.046  22.856
   60   HD12  ILE   9          1HD1      ILE   9   3.432  18.384  23.436
   61   HD13  ILE   9          2HD1      ILE   9   2.927  16.720  23.731
   62    H    LEU  10           H        LEU  10   3.941  17.676  17.772
   63    HA   LEU  10           HA       LEU  10   4.609  20.336  16.756
   64    HB2  LEU  10           2HB      LEU  10   6.255  18.375  17.412
   65    HB3  LEU  10           3HB      LEU  10   5.924  17.860  15.759
   66    HG   LEU  10           HG       LEU  10   6.910  19.802  14.851
   67   HD11  LEU  10          1HD1      LEU  10   7.880  21.460  16.716
   68   HD12  LEU  10          2HD1      LEU  10   6.422  20.911  17.543
   69   HD13  LEU  10          3HD1      LEU  10   6.302  21.674  15.958
   70   HD21  LEU  10          3HD2      LEU  10   8.926  18.953  15.211
   71   HD22  LEU  10          1HD2      LEU  10   8.333  18.135  16.657
   72   HD23  LEU  10          2HD2      LEU  10   8.993  19.766  16.775
   73    H    DAL  11           H        DAL  11   2.095  18.759  16.167
   74    HA   DAL  11           HA       DAL  11   0.723  18.338  14.410
   75    HB2  DAL  11           2HB      DAL  11   3.212  17.171  13.702
   76    HB3  DAL  11           3HB      DAL  11   2.558  17.939  12.257
   77    H    LYS  12           H        LYS  12   0.165  19.118  12.151
   78    HA   LYS  12           HA       LYS  12   0.891  21.949  11.960
   79    HB2  LYS  12           2HB      LYS  12   1.334  21.871   9.638
   80    HB3  LYS  12           3HB      LYS  12   2.252  20.544  10.338
   81    HG2  LYS  12           2HG      LYS  12   0.331  19.040   9.700
   82    HG3  LYS  12           3HG      LYS  12  -0.307  20.399   8.771
   83    HD2  LYS  12           2HD      LYS  12   2.345  19.014   8.388
   84    HD3  LYS  12           3HD      LYS  12   0.957  18.979   7.298
   85    HE2  LYS  12           2HE      LYS  12   1.280  21.594   7.356
   86    HE3  LYS  12           3HE      LYS  12   2.925  21.156   7.811
   87    HZ1  LYS  12           3HZ      LYS  12   1.484  20.360   5.342
   88    HZ2  LYS  12           1HZ      LYS  12   2.986  19.731   5.801
   89    HZ3  LYS  12           2HZ      LYS  12   2.830  21.379   5.456
   90    HA   PRO  13           HA       PRO  13  -3.416  22.588  11.392
   91    HB2  PRO  13           2HB      PRO  13  -3.404  24.843   9.880
   92    HB3  PRO  13           3HB      PRO  13  -2.983  24.835  11.597
   93    HG2  PRO  13           2HG      PRO  13  -1.183  24.840   9.205
   94    HG3  PRO  13           3HG      PRO  13  -1.048  25.770  10.708
   95    HD2  PRO  13           2HD      PRO  13   0.404  23.531  10.244
   96    HD3  PRO  13           3HD      PRO  13  -0.137  23.999  11.869
   97    H    LEU  14           H        LEU  14  -5.119  22.798   9.745
   98    HA   LEU  14           HA       LEU  14  -6.169  21.864   7.943
   99    HB2  LEU  14           2HB      LEU  14  -5.463  22.713   5.833
  100    HB3  LEU  14           3HB      LEU  14  -5.192  23.964   7.044
  101    HG   LEU  14           HG       LEU  14  -2.913  22.195   6.312
  102   HD11  LEU  14          1HD1      LEU  14  -2.367  23.810   4.468
  103   HD12  LEU  14          2HD1      LEU  14  -4.032  24.379   4.572
  104   HD13  LEU  14          3HD1      LEU  14  -3.699  22.704   4.134
  105   HD21  LEU  14          3HD2      LEU  14  -1.719  23.767   7.350
  106   HD22  LEU  14          1HD2      LEU  14  -3.259  24.393   7.938
  107   HD23  LEU  14          2HD2      LEU  14  -2.529  25.073   6.483
  108    H    GLY  15           H        GLY  15  -5.491  20.684   5.647
  109    HA2  GLY  15           2HA      GLY  15  -4.346  18.906   4.646
  110    HA3  GLY  15           3HA      GLY  15  -3.374  18.742   6.101
  111    H    ASN  16           H        ASN  16  -6.486  18.008   4.635
  112    HA   ASN  16           HA       ASN  16  -8.071  16.439   5.100
  113    HB2  ASN  16           2HB      ASN  16  -6.790  14.656   4.517
  114    HB3  ASN  16           3HB      ASN  16  -5.456  15.143   5.559
  115   HD21  ASN  16          1HD2      ASN  16  -8.700  13.750   5.619
  116   HD22  ASN  16          2HD2      ASN  16  -8.438  12.755   7.007
  117    H    ASN  17           H        ASN  17  -8.997  14.979   6.897
  118    HA   ASN  17           HA       ASN  17  -9.798  16.459   9.036
  119    HB2  ASN  17           2HB      ASN  17 -10.588  14.450  10.048
  120    HB3  ASN  17           3HB      ASN  17 -10.683  14.201   8.307
  121   HD21  ASN  17          1HD2      ASN  17 -10.319  12.126   7.973
  122   HD22  ASN  17          2HD2      ASN  17  -8.998  11.216   8.614
  123    H    GLY  18           H        GLY  18  -6.779  14.780   8.659
  124    HA2  GLY  18           2HA      GLY  18  -4.910  15.673   9.974
  125    HA3  GLY  18           3HA      GLY  18  -5.998  15.705  11.354
  126    H    TYR  19           H        TYR  19  -4.115  13.656   9.227
  127    HA   TYR  19           HA       TYR  19  -4.716  11.266  10.746
  128    HB2  TYR  19           2HB      TYR  19  -4.162  11.514   8.181
  129    HB3  TYR  19           3HB      TYR  19  -2.498  11.398   8.744
  130    HD1  TYR  19           HD2      TYR  19  -5.731   9.647   9.457
  131    HD2  TYR  19           HD1      TYR  19  -1.584   9.296   8.575
  132    HE1  TYR  19           HE2      TYR  19  -5.931   7.197   9.523
  133    HE2  TYR  19           HE1      TYR  19  -1.772   6.845   8.638
  134    HH   TYR  19           HH       TYR  19  -4.789   5.235   8.693
  135    H    LEU  20           H        LEU  20  -2.446   9.904  11.000
  136    HA   LEU  20           HA       LEU  20  -1.296  10.798  13.340
  137    HB2  LEU  20           2HB      LEU  20   0.092   9.080  11.292
  138    HB3  LEU  20           3HB      LEU  20   0.398   9.126  13.027
  139    HG   LEU  20           HG       LEU  20  -2.241   8.237  11.891
  140   HD11  LEU  20          1HD1      LEU  20  -1.357   5.913  12.295
  141   HD12  LEU  20          2HD1      LEU  20   0.254   6.627  12.374
  142   HD13  LEU  20          3HD1      LEU  20  -0.694   6.751  10.892
  143   HD21  LEU  20          3HD2      LEU  20  -2.313   7.028  14.080
  144   HD22  LEU  20          1HD2      LEU  20  -2.336   8.787  14.210
  145   HD23  LEU  20          2HD2      LEU  20  -0.849   7.898  14.542
  146    H    CYS  21           H        CYS  21   0.289  12.173  13.882
  147    HA   CYS  21           HA       CYS  21   1.508  13.748  11.756
  148    HB2  CYS  21           2HB      CYS  21   0.611  14.296  14.386
  149    HB3  CYS  21           3HB      CYS  21   2.351  14.562  14.373
  150    HN2  DB2  22           H        DB2  22   3.831  14.588  12.945
  151    HA   DB2  22           HA       DB2  22   5.464  12.426  13.842
  152   HB2C  DB2  22          HB        DB2  22   6.301  15.081  12.687
  153   HG1C  DB2  22          3HG       DB2  22   6.437  15.738  15.132
  154   HG2C  DB2  22          1HG       DB2  22   5.534  14.262  15.482
  155   HG3C  DB2  22          2HG       DB2  22   4.815  15.519  14.477
  156    H    VAL  23           H        VAL  23   4.808  13.917  10.731
  157    HA   VAL  23           HA       VAL  23   6.603  11.959   9.458
  158    HB   VAL  23           HB       VAL  23   3.950  12.737   8.270
  159   HG11  VAL  23          1HG1      VAL  23   4.463  10.323   7.289
  160   HG12  VAL  23          2HG1      VAL  23   5.121  11.790   6.561
  161   HG13  VAL  23          3HG1      VAL  23   6.120  10.814   7.638
  162   HG21  VAL  23          3HG2      VAL  23   4.562  10.416  10.094
  163   HG22  VAL  23          1HG2      VAL  23   3.398  11.713  10.363
  164   HG23  VAL  23          2HG2      VAL  23   3.119  10.529   9.086
  165    HN2  DB2  24           H        DB2  24   7.609  12.596   7.568
  166    HA   DB2  24           HA       DB2  24   7.028  15.115   6.310
  167   HB2C  DB2  24          HB        DB2  24   9.584  13.668   5.838
  168   HG1C  DB2  24          3HG       DB2  24   6.880  12.511   5.564
  169   HG2C  DB2  24          1HG       DB2  24   8.439  11.724   5.821
  170   HG3C  DB2  24          2HG       DB2  24   7.975  12.255   4.206
  171    H    LYS  25           H        LYS  25   9.233  16.401   5.763
  172    HA   LYS  25           HA       LYS  25  11.380  16.832   7.171
  173    HB2  LYS  25           2HB      LYS  25   9.492  18.618   5.939
  174    HB3  LYS  25           3HB      LYS  25  10.174  19.378   7.371
  175    HG2  LYS  25           2HG      LYS  25  12.232  19.560   6.464
  176    HG3  LYS  25           3HG      LYS  25  12.089  18.048   5.564
  177    HD2  LYS  25           2HD      LYS  25  11.821  19.336   3.755
  178    HD3  LYS  25           3HD      LYS  25  10.199  19.655   4.375
  179    HE2  LYS  25           2HE      LYS  25  11.309  21.739   3.835
  180    HE3  LYS  25           3HE      LYS  25  11.066  21.617   5.577
  181    HZ1  LYS  25           3HZ      LYS  25  13.392  22.258   4.426
  182    HZ2  LYS  25           1HZ      LYS  25  13.596  20.590   4.619
  183    HZ3  LYS  25           2HZ      LYS  25  13.260  21.561   5.962
  184    H    GLU  26           H        GLU  26   8.170  17.273   8.526
  185    HA   GLU  26           HA       GLU  26   8.720  18.551  10.898
  186    HB2  GLU  26           2HB      GLU  26   6.846  16.217  10.906
  187    HB3  GLU  26           3HB      GLU  26   6.668  17.789  11.673
  188    HG2  GLU  26           2HG      GLU  26   6.481  18.744   9.330
  189    HG3  GLU  26           3HG      GLU  26   6.299  17.078   8.784
  190    H    CYS  27           H        CYS  27   8.885  15.058  10.253
  191    HA   CYS  27           HA       CYS  27  10.596  14.796  12.638
  192    HB2  CYS  27           2HB      CYS  27   8.467  12.917  11.611
  193    HB3  CYS  27           3HB      CYS  27   9.685  12.432  12.785
  194    H    MET  28           H        MET  28  10.240  14.339   9.296
  195    HA   MET  28           HA       MET  28  12.727  12.765   9.233
  196    HB2  MET  28           2HB      MET  28  10.752  12.497   7.012
  197    HB3  MET  28           3HB      MET  28  11.947  11.344   7.592
  198    HG2  MET  28           2HG      MET  28   9.502  12.092   9.167
  199    HG3  MET  28           3HG      MET  28   9.534  10.763   8.009
  200    HE1  MET  28           3HE      MET  28   8.464  10.134  10.338
  201    HE2  MET  28           1HE      MET  28   9.192   8.536  10.176
  202    HE3  MET  28           2HE      MET  28   9.384   9.444  11.676
  203    HA   PRO  29           HA       PRO  29  13.947  16.440   6.983
  204    HB2  PRO  29           2HB      PRO  29  16.563  15.744   6.780
  205    HB3  PRO  29           3HB      PRO  29  15.860  16.415   8.256
  206    HG2  PRO  29           2HG      PRO  29  16.441  13.562   7.561
  207    HG3  PRO  29           3HG      PRO  29  16.722  14.421   9.087
  208    HD2  PRO  29           2HD      PRO  29  14.602  12.780   8.708
  209    HD3  PRO  29           3HD      PRO  29  14.525  14.212   9.754
  210    H    SER  30           H        SER  30  14.047  13.148   6.030
  211    HA   SER  30           HA       SER  30  15.187  13.586   3.427
  212    HB2  SER  30           2HB      SER  30  15.185  11.398   4.814
  213    HB3  SER  30           3HB      SER  30  13.551  11.178   4.189
  214    HG   SER  30           HG       SER  30  14.660  10.266   2.619
  215    H    CYS  31           H        CYS  31  12.829  15.176   4.200
  216    HA   CYS  31           HA       CYS  31  10.759  14.192   2.390
  217    HB2  CYS  31           2HB      CYS  31  10.763  15.756   4.773
  218    HB3  CYS  31           3HB      CYS  31  10.098  16.744   3.476
  219    H    ASN  32           H        ASN  32   9.738  15.795   0.901
  220    HA   ASN  32           HA       ASN  32  11.612  17.804  -0.115
  221    HB2  ASN  32           2HB      ASN  32  10.191  15.988  -2.043
  222    HB3  ASN  32           3HB      ASN  32  11.604  17.002  -2.317
  223   HD21  ASN  32          1HD2      ASN  32  10.589  13.913  -1.917
  224   HD22  ASN  32          2HD2      ASN  32  12.067  13.184  -1.401
  Start of MODEL    9
    1    H41  2KT   1           2H4      2KT   1  -5.765   8.234  21.960
    2    H42  2KT   1           3H4      2KT   1  -6.633   7.543  20.950
    3    H43  2KT   1           1H4      2KT   1  -7.249   8.165  22.168
    4    H31  2KT   1           2H3      2KT   1  -6.217   6.844  23.484
    5    H32  2KT   1           3H3      2KT   1  -7.284   6.106  22.733
    6    H    ILE   2           H        ILE   2  -3.570   4.281  21.309
    7    HA   ILE   2           HA       ILE   2  -1.623   5.245  23.034
    8    HB   ILE   2           HB       ILE   2   0.008   4.281  21.620
    9   HG12  ILE   2          2HG1      ILE   2  -0.677   5.478  19.551
   10   HG13  ILE   2          3HG1      ILE   2  -0.334   3.774  19.273
   11   HG21  ILE   2          1HG2      ILE   2  -2.472   2.926  22.119
   12   HG22  ILE   2          2HG2      ILE   2  -1.721   2.300  20.652
   13   HG23  ILE   2          3HG2      ILE   2  -0.825   2.298  22.170
   14   HD11  ILE   2          3HD1      ILE   2  -2.253   4.001  18.079
   15   HD12  ILE   2          1HD1      ILE   2  -2.927   3.544  19.642
   16   HD13  ILE   2          2HD1      ILE   2  -2.909   5.238  19.152
   17    HN2  DB2   3           H        DB2   3   0.301   6.553  22.448
   18    HA   DB2   3           HA       DB2   3  -0.454   8.858  20.763
   19   HB2C  DB2   3          HB        DB2   3   2.324   7.889  21.413
   20   HG1C  DB2   3          3HG       DB2   3   1.705   6.245  19.982
   21   HG2C  DB2   3          1HG       DB2   3   2.094   7.467  18.769
   22   HG3C  DB2   3          2HG       DB2   3   0.419   7.209  19.256
   23    H    LEU   4           H        LEU   4  -0.829   8.226  23.715
   24    HA   LEU   4           HA       LEU   4  -0.932  10.605  24.857
   25    HB2  LEU   4           2HB      LEU   4  -0.036   8.002  26.005
   26    HB3  LEU   4           3HB      LEU   4  -0.008   9.445  27.017
   27    HG   LEU   4           HG       LEU   4  -2.559   9.120  25.676
   28   HD11  LEU   4          1HD1      LEU   4  -2.434   6.825  25.738
   29   HD12  LEU   4          2HD1      LEU   4  -3.133   7.177  27.318
   30   HD13  LEU   4          3HD1      LEU   4  -1.414   6.810  27.177
   31   HD21  LEU   4          3HD2      LEU   4  -1.495   9.602  28.415
   32   HD22  LEU   4          1HD2      LEU   4  -3.170   9.077  28.234
   33   HD23  LEU   4          2HD2      LEU   4  -2.622  10.561  27.454
   34    H    DHA   5           H        DHA   5   0.318  12.225  25.361
   35    HB1  DHA   5           2HB      DHA   5   2.956  11.391  27.140
   36    HB2  DHA   5           3HB      DHA   5   4.098  12.760  26.596
   37    H1   DBU   6           H        DBU   6   3.817  12.287  23.531
   38    HB1  DBU   6           HB       DBU   6   4.785  15.938  22.164
   39    HG1  DBU   6           3HG      DBU   6   5.199  14.365  24.750
   40    HG2  DBU   6           1HG      DBU   6   4.314  15.872  24.917
   41    HG3  DBU   6           2HG      DBU   6   5.973  15.892  24.313
   42    H    CYS   7           H        CYS   7   2.307  12.299  21.716
   43    HA   CYS   7           HA       CYS   7   2.789  12.526  18.960
   44    HB2  CYS   7           2HB      CYS   7   0.447  11.306  20.435
   45    HB3  CYS   7           3HB      CYS   7   0.754  11.100  18.713
   46    H    ALA   8           H        ALA   8  -0.045  13.562  20.860
   47    HA   ALA   8           HA       ALA   8  -1.302  14.883  18.682
   48    HB1  ALA   8           1HB      ALA   8  -1.856  15.631  21.519
   49    HB2  ALA   8           2HB      ALA   8  -2.972  15.453  20.164
   50    HB3  ALA   8           3HB      ALA   8  -2.289  14.023  20.937
   51    H    ILE   9           H        ILE   9   1.482  15.648  20.230
   52    HA   ILE   9           HA       ILE   9   1.058  18.542  20.208
   53    HB   ILE   9           HB       ILE   9   3.524  17.018  21.052
   54   HG12  ILE   9          2HG1      ILE   9   1.126  17.973  22.611
   55   HG13  ILE   9          3HG1      ILE   9   1.814  16.354  22.556
   56   HG21  ILE   9          1HG2      ILE   9   3.866  19.379  20.393
   57   HG22  ILE   9          2HG2      ILE   9   2.702  19.860  21.626
   58   HG23  ILE   9          3HG2      ILE   9   4.211  19.078  22.096
   59   HD11  ILE   9          3HD1      ILE   9   2.589  17.029  24.575
   60   HD12  ILE   9          1HD1      ILE   9   3.910  17.607  23.561
   61   HD13  ILE   9          2HD1      ILE   9   2.662  18.727  24.107
   62    H    LEU  10           H        LEU  10   3.237  16.107  18.806
   63    HA   LEU  10           HA       LEU  10   4.213  18.090  16.890
   64    HB2  LEU  10           2HB      LEU  10   5.624  16.337  18.258
   65    HB3  LEU  10           3HB      LEU  10   5.165  15.268  16.934
   66    HG   LEU  10           HG       LEU  10   6.386  17.896  16.258
   67   HD11  LEU  10          1HD1      LEU  10   7.917  15.531  17.328
   68   HD12  LEU  10          2HD1      LEU  10   7.848  17.153  18.016
   69   HD13  LEU  10          3HD1      LEU  10   8.638  16.888  16.462
   70   HD21  LEU  10          3HD2      LEU  10   6.101  15.188  15.073
   71   HD22  LEU  10          1HD2      LEU  10   7.524  16.136  14.640
   72   HD23  LEU  10          2HD2      LEU  10   5.910  16.777  14.331
   73    H    DAL  11           H        DAL  11   1.513  16.646  16.916
   74    HA   DAL  11           HA       DAL  11   0.045  15.826  15.396
   75    HB2  DAL  11           2HB      DAL  11   1.101  13.751  15.402
   76    HB3  DAL  11           3HB      DAL  11   2.562  14.378  14.640
   77    H    LYS  12           H        LYS  12  -0.808  16.283  13.358
   78    HA   LYS  12           HA       LYS  12   0.881  17.806  11.507
   79    HB2  LYS  12           2HB      LYS  12  -0.681  17.299   9.804
   80    HB3  LYS  12           3HB      LYS  12  -0.486  15.813  10.724
   81    HG2  LYS  12           2HG      LYS  12  -2.564  16.470  11.994
   82    HG3  LYS  12           3HG      LYS  12  -2.791  17.739  10.788
   83    HD2  LYS  12           2HD      LYS  12  -3.237  16.237   9.098
   84    HD3  LYS  12           3HD      LYS  12  -2.347  14.930   9.881
   85    HE2  LYS  12           2HE      LYS  12  -4.879  16.046  11.047
   86    HE3  LYS  12           3HE      LYS  12  -4.901  14.772   9.829
   87    HZ1  LYS  12           3HZ      LYS  12  -3.678  14.659  12.528
   88    HZ2  LYS  12           1HZ      LYS  12  -3.418  13.483  11.339
   89    HZ3  LYS  12           2HZ      LYS  12  -4.975  13.743  11.946
   90    HA   PRO  13           HA       PRO  13  -0.990  21.628  12.629
   91    HB2  PRO  13           2HB      PRO  13  -0.577  23.012  10.331
   92    HB3  PRO  13           3HB      PRO  13   0.720  22.635  11.472
   93    HG2  PRO  13           2HG      PRO  13  -0.018  21.255   8.920
   94    HG3  PRO  13           3HG      PRO  13   1.589  21.676   9.540
   95    HD2  PRO  13           2HD      PRO  13   0.562  19.178   9.733
   96    HD3  PRO  13           3HD      PRO  13   1.660  19.857  10.953
   97    H    LEU  14           H        LEU  14  -2.427  23.380  11.342
   98    HA   LEU  14           HA       LEU  14  -4.807  21.896  10.509
   99    HB2  LEU  14           2HB      LEU  14  -5.903  24.169  10.791
  100    HB3  LEU  14           3HB      LEU  14  -5.318  23.369  12.248
  101    HG   LEU  14           HG       LEU  14  -3.496  24.865  12.451
  102   HD11  LEU  14          1HD1      LEU  14  -4.193  25.724   9.656
  103   HD12  LEU  14          2HD1      LEU  14  -2.681  25.033  10.243
  104   HD13  LEU  14          3HD1      LEU  14  -3.145  26.667  10.716
  105   HD21  LEU  14          3HD2      LEU  14  -4.690  26.623  13.159
  106   HD22  LEU  14          1HD2      LEU  14  -6.088  25.697  12.611
  107   HD23  LEU  14          2HD2      LEU  14  -5.377  26.924  11.562
  108    H    GLY  15           H        GLY  15  -6.221  23.463   8.966
  109    HA2  GLY  15           2HA      GLY  15  -6.114  24.903   7.029
  110    HA3  GLY  15           3HA      GLY  15  -4.470  24.341   6.763
  111    H    ASN  16           H        ASN  16  -4.662  23.538   4.730
  112    HA   ASN  16           HA       ASN  16  -6.821  21.665   4.138
  113    HB2  ASN  16           2HB      ASN  16  -6.189  21.877   1.835
  114    HB3  ASN  16           3HB      ASN  16  -6.192  23.495   2.529
  115   HD21  ASN  16          1HD2      ASN  16  -4.542  21.475   0.570
  116   HD22  ASN  16          2HD2      ASN  16  -2.961  22.160   0.698
  117    H    ASN  17           H        ASN  17  -5.703  20.235   5.818
  118    HA   ASN  17           HA       ASN  17  -4.334  18.154   4.415
  119    HB2  ASN  17           2HB      ASN  17  -2.205  18.309   5.224
  120    HB3  ASN  17           3HB      ASN  17  -2.605  20.024   5.254
  121   HD21  ASN  17          1HD2      ASN  17  -1.970  20.974   7.035
  122   HD22  ASN  17          2HD2      ASN  17  -1.943  20.277   8.615
  123    H    GLY  18           H        GLY  18  -4.647  16.208   5.383
  124    HA2  GLY  18           2HA      GLY  18  -5.317  16.068   8.210
  125    HA3  GLY  18           3HA      GLY  18  -6.612  15.642   7.101
  126    H    TYR  19           H        TYR  19  -3.526  14.897   5.912
  127    HA   TYR  19           HA       TYR  19  -4.058  12.116   5.869
  128    HB2  TYR  19           2HB      TYR  19  -2.534  13.592   4.329
  129    HB3  TYR  19           3HB      TYR  19  -1.290  13.210   5.514
  130    HD1  TYR  19           HD2      TYR  19  -3.997  11.306   3.761
  131    HD2  TYR  19           HD1      TYR  19   0.109  11.509   4.858
  132    HE1  TYR  19           HE2      TYR  19  -3.597   9.154   2.639
  133    HE2  TYR  19           HE1      TYR  19   0.521   9.359   3.738
  134    HH   TYR  19           HH       TYR  19  -0.825   8.077   1.665
  135    H    LEU  20           H        LEU  20  -1.898  10.725   6.534
  136    HA   LEU  20           HA       LEU  20  -2.075  10.484   9.338
  137    HB2  LEU  20           2HB      LEU  20  -1.456   8.722   7.578
  138    HB3  LEU  20           3HB      LEU  20   0.176   9.376   7.692
  139    HG   LEU  20           HG       LEU  20   0.380   8.685   9.961
  140   HD11  LEU  20          1HD1      LEU  20  -2.556   8.051   9.788
  141   HD12  LEU  20          2HD1      LEU  20  -1.758   9.208  10.852
  142   HD13  LEU  20          3HD1      LEU  20  -1.509   7.478  11.086
  143   HD21  LEU  20          3HD2      LEU  20  -0.526   6.170   9.606
  144   HD22  LEU  20          1HD2      LEU  20   0.958   6.793   8.883
  145   HD23  LEU  20          2HD2      LEU  20  -0.531   6.747   7.938
  146    H    CYS  21           H        CYS  21  -0.198  10.535  10.834
  147    HA   CYS  21           HA       CYS  21   1.226  13.052  10.505
  148    HB2  CYS  21           2HB      CYS  21   0.127  11.646  12.704
  149    HB3  CYS  21           3HB      CYS  21   1.867  11.717  12.962
  150    HN2  DB2  22           H        DB2  22   3.458  12.636  12.047
  151    HA   DB2  22           HA       DB2  22   5.034  10.420  11.551
  152   HB2C  DB2  22          HB        DB2  22   5.975  13.281  11.669
  153   HG1C  DB2  22          3HG       DB2  22   6.277  12.111  14.184
  154   HG2C  DB2  22          1HG       DB2  22   4.686  11.588  13.624
  155   HG3C  DB2  22          2HG       DB2  22   5.072  13.306  13.705
  156    H    VAL  23           H        VAL  23   4.343  13.165   9.477
  157    HA   VAL  23           HA       VAL  23   6.002  11.945   7.371
  158    HB   VAL  23           HB       VAL  23   3.346  13.237   6.795
  159   HG11  VAL  23          1HG1      VAL  23   4.389  13.125   4.780
  160   HG12  VAL  23          2HG1      VAL  23   5.412  11.768   5.259
  161   HG13  VAL  23          3HG1      VAL  23   3.726  11.492   4.820
  162   HG21  VAL  23          3HG2      VAL  23   3.888  10.586   7.908
  163   HG22  VAL  23          1HG2      VAL  23   2.381  11.499   7.830
  164   HG23  VAL  23          2HG2      VAL  23   2.917  10.560   6.436
  165    HN2  DB2  24           H        DB2  24   6.989  13.334   5.937
  166    HA   DB2  24           HA       DB2  24   6.467  16.161   5.946
  167   HB2C  DB2  24          HB        DB2  24   8.963  15.026   4.793
  168   HG1C  DB2  24          3HG       DB2  24   7.635  13.280   4.094
  169   HG2C  DB2  24          1HG       DB2  24   7.425  14.416   2.759
  170   HG3C  DB2  24          2HG       DB2  24   6.183  14.277   4.002
  171    H    LYS  25           H        LYS  25   8.698  17.514   5.949
  172    HA   LYS  25           HA       LYS  25  10.892  17.248   7.314
  173    HB2  LYS  25           2HB      LYS  25   9.013  19.413   7.105
  174    HB3  LYS  25           3HB      LYS  25   9.758  19.434   8.698
  175    HG2  LYS  25           2HG      LYS  25  11.798  19.977   7.891
  176    HG3  LYS  25           3HG      LYS  25  11.574  19.060   6.399
  177    HD2  LYS  25           2HD      LYS  25  10.739  20.834   5.295
  178    HD3  LYS  25           3HD      LYS  25   9.794  21.376   6.684
  179    HE2  LYS  25           2HE      LYS  25  11.388  23.068   6.302
  180    HE3  LYS  25           3HE      LYS  25  11.986  22.158   7.689
  181    HZ1  LYS  25           3HZ      LYS  25  12.906  21.248   5.090
  182    HZ2  LYS  25           1HZ      LYS  25  13.754  21.408   6.546
  183    HZ3  LYS  25           2HZ      LYS  25  13.477  22.765   5.574
  184    H    GLU  26           H        GLU  26   7.742  17.076   8.866
  185    HA   GLU  26           HA       GLU  26   8.413  17.122  11.530
  186    HB2  GLU  26           2HB      GLU  26   6.463  15.068  10.561
  187    HB3  GLU  26           3HB      GLU  26   6.365  16.119  11.966
  188    HG2  GLU  26           2HG      GLU  26   6.130  18.041  10.328
  189    HG3  GLU  26           3HG      GLU  26   5.877  16.812   9.090
  190    H    CYS  27           H        CYS  27   8.439  14.302   9.364
  191    HA   CYS  27           HA       CYS  27  10.220  12.959  11.289
  192    HB2  CYS  27           2HB      CYS  27   7.989  11.788   9.627
  193    HB3  CYS  27           3HB      CYS  27   9.233  10.800  10.386
  194    H    MET  28           H        MET  28   9.745  14.087   8.130
  195    HA   MET  28           HA       MET  28  12.162  12.662   7.240
  196    HB2  MET  28           2HB      MET  28   9.758  13.352   5.541
  197    HB3  MET  28           3HB      MET  28  11.244  12.615   4.957
  198    HG2  MET  28           2HG      MET  28   9.768  10.835   5.167
  199    HG3  MET  28           3HG      MET  28  10.762  10.743   6.619
  200    HE1  MET  28           3HE      MET  28   7.258   9.371   7.165
  201    HE2  MET  28           1HE      MET  28   8.970   9.060   6.878
  202    HE3  MET  28           2HE      MET  28   8.405   9.453   8.502
  203    HA   PRO  29           HA       PRO  29  13.453  16.939   6.882
  204    HB2  PRO  29           2HB      PRO  29  16.041  16.361   6.298
  205    HB3  PRO  29           3HB      PRO  29  15.390  16.299   7.940
  206    HG2  PRO  29           2HG      PRO  29  15.864  14.065   6.005
  207    HG3  PRO  29           3HG      PRO  29  16.203  14.130   7.744
  208    HD2  PRO  29           2HD      PRO  29  14.024  12.883   6.730
  209    HD3  PRO  29           3HD      PRO  29  14.015  13.683   8.315
  210    H    SER  30           H        SER  30  13.459  14.433   4.533
  211    HA   SER  30           HA       SER  30  14.534  16.011   2.380
  212    HB2  SER  30           2HB      SER  30  14.607  13.457   2.579
  213    HB3  SER  30           3HB      SER  30  12.916  13.482   2.079
  214    HG   SER  30           HG       SER  30  13.659  13.603   0.127
  215    H    CYS  31           H        CYS  31  12.210  17.057   3.864
  216    HA   CYS  31           HA       CYS  31  10.067  16.980   1.887
  217    HB2  CYS  31           2HB      CYS  31  10.185  17.337   4.706
  218    HB3  CYS  31           3HB      CYS  31   9.521  18.812   4.012
  219    H    ASN  32           H        ASN  32   9.209  18.862   0.914
  220    HA   ASN  32           HA       ASN  32  11.208  20.978   0.558
  221    HB2  ASN  32           2HB      ASN  32   8.991  19.902  -1.146
  222    HB3  ASN  32           3HB      ASN  32   9.561  21.547  -1.408
  223   HD21  ASN  32          1HD2      ASN  32  10.716  21.467  -3.206
  224   HD22  ASN  32          2HD2      ASN  32  12.009  20.366  -3.522
  Start of MODEL   10
    1    H41  2KT   1           2H4      2KT   1   8.523   3.294   5.904
    2    H42  2KT   1           3H4      2KT   1   9.690   3.225   6.844
    3    H43  2KT   1           1H4      2KT   1   8.290   3.172   7.381
    4    H31  2KT   1           2H3      2KT   1   9.377   5.198   6.044
    5    H32  2KT   1           3H3      2KT   1   7.943   5.301   6.473
    6    H    ILE   2           H        ILE   2   9.644   6.274  10.284
    7    HA   ILE   2           HA       ILE   2   7.470   4.815  11.441
    8    HB   ILE   2           HB       ILE   2   8.807   7.113  12.821
    9   HG12  ILE   2          2HG1      ILE   2  10.004   4.410  12.212
   10   HG13  ILE   2          3HG1      ILE   2  10.684   5.995  11.863
   11   HG21  ILE   2          1HG2      ILE   2   7.058   4.996  13.550
   12   HG22  ILE   2          2HG2      ILE   2   8.591   4.765  14.390
   13   HG23  ILE   2          3HG2      ILE   2   7.712   6.284  14.562
   14   HD11  ILE   2          3HD1      ILE   2  11.915   5.425  13.683
   15   HD12  ILE   2          1HD1      ILE   2  10.569   6.235  14.483
   16   HD13  ILE   2          2HD1      ILE   2  10.617   4.474  14.405
   17    HN2  DB2   3           H        DB2   3   5.432   5.422  11.744
   18    HA   DB2   3           HA       DB2   3   4.622   8.074  10.821
   19   HB2C  DB2   3          HB        DB2   3   3.761   6.973  13.491
   20   HG1C  DB2   3          3HG       DB2   3   5.065   9.084  14.278
   21   HG2C  DB2   3          1HG       DB2   3   5.862   8.956  12.707
   22   HG3C  DB2   3          2HG       DB2   3   5.954   7.621  13.855
   23    H    LEU   4           H        LEU   4   4.380   5.165  10.038
   24    HA   LEU   4           HA       LEU   4   2.153   5.070   8.621
   25    HB2  LEU   4           2HB      LEU   4   3.483   2.937  10.216
   26    HB3  LEU   4           3HB      LEU   4   1.958   2.564   9.416
   27    HG   LEU   4           HG       LEU   4   3.158   3.477   7.292
   28   HD11  LEU   4          1HD1      LEU   4   5.633   2.785   7.469
   29   HD12  LEU   4          2HD1      LEU   4   5.416   3.015   9.204
   30   HD13  LEU   4          3HD1      LEU   4   5.149   4.361   8.096
   31   HD21  LEU   4          3HD2      LEU   4   4.211   1.171   6.992
   32   HD22  LEU   4          1HD2      LEU   4   2.482   1.234   7.331
   33   HD23  LEU   4          2HD2      LEU   4   3.617   0.820   8.616
   34    H    DHA   5           H        DHA   5   0.063   5.169   8.867
   35    HB1  DHA   5           2HB      DHA   5  -1.143   3.022  11.046
   36    HB2  DHA   5           3HB      DHA   5  -2.648   3.985  11.578
   37    H1   DBU   6           H        DBU   6  -1.157   6.619  12.331
   38    HB1  DBU   6           HB       DBU   6  -4.154   9.258  11.976
   39    HG1  DBU   6           3HG      DBU   6  -5.529   7.266  11.923
   40    HG2  DBU   6           1HG      DBU   6  -4.257   6.500  12.860
   41    HG3  DBU   6           2HG      DBU   6  -4.224   6.408  11.097
   42    H    CYS   7           H        CYS   7   0.146   8.391  11.394
   43    HA   CYS   7           HA       CYS   7   0.583  11.010  12.347
   44    HB2  CYS   7           2HB      CYS   7   2.286   9.267  10.554
   45    HB3  CYS   7           3HB      CYS   7   2.832  10.768  11.295
   46    H    ALA   8           H        ALA   8   0.825   9.791   9.000
   47    HA   ALA   8           HA       ALA   8   0.844  12.417   7.882
   48    HB1  ALA   8           1HB      ALA   8   1.931  10.479   6.807
   49    HB2  ALA   8           2HB      ALA   8   0.338   9.790   6.492
   50    HB3  ALA   8           3HB      ALA   8   0.805  11.313   5.735
   51    H    ILE   9           H        ILE   9  -1.582  10.879   9.371
   52    HA   ILE   9           HA       ILE   9  -3.683  11.630   7.480
   53    HB   ILE   9           HB       ILE   9  -3.937  10.228  10.143
   54   HG12  ILE   9          2HG1      ILE   9  -3.660   9.210   7.325
   55   HG13  ILE   9          3HG1      ILE   9  -2.764   8.725   8.760
   56   HG21  ILE   9          1HG2      ILE   9  -6.191   9.718   9.475
   57   HG22  ILE   9          2HG2      ILE   9  -5.947  11.461   9.382
   58   HG23  ILE   9          3HG2      ILE   9  -5.943  10.492   7.909
   59   HD11  ILE   9          3HD1      ILE   9  -4.282   6.980   8.119
   60   HD12  ILE   9          1HD1      ILE   9  -4.814   7.686   9.645
   61   HD13  ILE   9          2HD1      ILE   9  -5.641   8.104   8.144
   62    H    LEU  10           H        LEU  10  -2.717  12.237  10.847
   63    HA   LEU  10           HA       LEU  10  -4.583  14.485  10.973
   64    HB2  LEU  10           2HB      LEU  10  -4.008  12.597  12.803
   65    HB3  LEU  10           3HB      LEU  10  -2.863  13.846  13.286
   66    HG   LEU  10           HG       LEU  10  -4.818  14.097  14.619
   67   HD11  LEU  10          1HD1      LEU  10  -3.902  16.195  14.022
   68   HD12  LEU  10          2HD1      LEU  10  -5.650  16.347  13.850
   69   HD13  LEU  10          3HD1      LEU  10  -4.638  16.142  12.420
   70   HD21  LEU  10          3HD2      LEU  10  -6.255  13.787  12.016
   71   HD22  LEU  10          1HD2      LEU  10  -7.012  14.663  13.347
   72   HD23  LEU  10          2HD2      LEU  10  -6.538  12.977  13.558
   73    H    DAL  11           H        DAL  11  -1.876  14.310   9.528
   74    HA   DAL  11           HA       DAL  11  -0.153  15.704   9.051
   75    HB2  DAL  11           2HB      DAL  11   1.279  16.150  10.755
   76    HB3  DAL  11           3HB      DAL  11   0.218  15.038  11.618
   77    H    LYS  12           H        LYS  12  -3.015  16.665   9.197
   78    HA   LYS  12           HA       LYS  12  -3.321  19.247  10.049
   79    HB2  LYS  12           2HB      LYS  12  -2.855  20.490   7.853
   80    HB3  LYS  12           3HB      LYS  12  -1.475  20.074   8.861
   81    HG2  LYS  12           2HG      LYS  12  -0.867  18.277   7.436
   82    HG3  LYS  12           3HG      LYS  12  -2.382  18.395   6.537
   83    HD2  LYS  12           2HD      LYS  12  -1.727  20.595   5.707
   84    HD3  LYS  12           3HD      LYS  12  -0.225  20.506   6.631
   85    HE2  LYS  12           2HE      LYS  12  -0.929  18.383   4.638
   86    HE3  LYS  12           3HE      LYS  12  -0.195  19.899   4.116
   87    HZ1  LYS  12           3HZ      LYS  12   1.323  19.054   6.242
   88    HZ2  LYS  12           1HZ      LYS  12   1.747  18.979   4.606
   89    HZ3  LYS  12           2HZ      LYS  12   1.022  17.647   5.353
   90    HA   PRO  13           HA       PRO  13  -6.741  17.163   7.615
   91    HB2  PRO  13           2HB      PRO  13  -8.439  16.888   9.716
   92    HB3  PRO  13           3HB      PRO  13  -7.228  15.671   9.293
   93    HG2  PRO  13           2HG      PRO  13  -7.120  17.798  11.396
   94    HG3  PRO  13           3HG      PRO  13  -6.618  16.101  11.495
   95    HD2  PRO  13           2HD      PRO  13  -4.855  18.122  11.125
   96    HD3  PRO  13           3HD      PRO  13  -4.608  16.503  10.441
   97    H    LEU  14           H        LEU  14  -9.126  17.887   7.653
   98    HA   LEU  14           HA       LEU  14  -9.147  20.766   7.505
   99    HB2  LEU  14           2HB      LEU  14 -11.454  20.449   6.662
  100    HB3  LEU  14           3HB      LEU  14 -10.234  19.559   5.754
  101    HG   LEU  14           HG       LEU  14 -10.988  17.608   7.395
  102   HD11  LEU  14          1HD1      LEU  14 -13.242  19.570   7.397
  103   HD12  LEU  14          2HD1      LEU  14 -12.599  18.597   8.720
  104   HD13  LEU  14          3HD1      LEU  14 -13.571  17.838   7.459
  105   HD21  LEU  14          3HD2      LEU  14 -11.954  18.541   4.762
  106   HD22  LEU  14          1HD2      LEU  14 -12.901  17.279   5.551
  107   HD23  LEU  14          2HD2      LEU  14 -11.189  17.018   5.219
  108    H    GLY  15           H        GLY  15 -11.031  22.002   8.403
  109    HA2  GLY  15           2HA      GLY  15 -12.451  22.598  10.131
  110    HA3  GLY  15           3HA      GLY  15 -12.349  20.951  10.733
  111    H    ASN  16           H        ASN  16  -9.260  21.531  10.487
  112    HA   ASN  16           HA       ASN  16  -8.819  23.359  12.666
  113    HB2  ASN  16           2HB      ASN  16  -9.547  21.275  13.831
  114    HB3  ASN  16           3HB      ASN  16  -8.183  20.433  13.100
  115   HD21  ASN  16          1HD2      ASN  16  -9.208  22.673  15.511
  116   HD22  ASN  16          2HD2      ASN  16  -7.691  22.817  16.327
  117    H    ASN  17           H        ASN  17  -7.966  22.598   9.836
  118    HA   ASN  17           HA       ASN  17  -5.331  21.728   9.765
  119    HB2  ASN  17           2HB      ASN  17  -6.400  21.895   7.685
  120    HB3  ASN  17           3HB      ASN  17  -6.925  23.550   7.982
  121   HD21  ASN  17          1HD2      ASN  17  -6.042  24.009   5.889
  122   HD22  ASN  17          2HD2      ASN  17  -4.346  24.290   5.712
  123    H    GLY  18           H        GLY  18  -3.549  22.529  10.649
  124    HA2  GLY  18           2HA      GLY  18  -2.039  24.523  10.556
  125    HA3  GLY  18           3HA      GLY  18  -3.423  25.443  11.128
  126    H    TYR  19           H        TYR  19  -3.222  22.340  12.480
  127    HA   TYR  19           HA       TYR  19  -2.809  23.374  15.096
  128    HB2  TYR  19           2HB      TYR  19  -4.055  21.201  14.246
  129    HB3  TYR  19           3HB      TYR  19  -2.480  20.463  14.513
  130    HD1  TYR  19           HD2      TYR  19  -4.516  22.984  16.385
  131    HD2  TYR  19           HD1      TYR  19  -2.444  19.269  16.481
  132    HE1  TYR  19           HE2      TYR  19  -5.031  22.766  18.780
  133    HE2  TYR  19           HE1      TYR  19  -2.955  19.040  18.876
  134    HH   TYR  19           HH       TYR  19  -4.406  19.835  20.534
  135    H    LEU  20           H        LEU  20  -1.177  21.801  16.469
  136    HA   LEU  20           HA       LEU  20   1.423  22.720  15.699
  137    HB2  LEU  20           2HB      LEU  20   0.623  22.587  18.047
  138    HB3  LEU  20           3HB      LEU  20   0.667  20.830  17.921
  139    HG   LEU  20           HG       LEU  20   3.002  20.772  17.895
  140   HD11  LEU  20          1HD1      LEU  20   2.783  23.607  17.003
  141   HD12  LEU  20          2HD1      LEU  20   3.733  22.283  16.330
  142   HD13  LEU  20          3HD1      LEU  20   4.249  23.068  17.822
  143   HD21  LEU  20          3HD2      LEU  20   3.548  22.656  19.730
  144   HD22  LEU  20          1HD2      LEU  20   2.702  21.153  20.100
  145   HD23  LEU  20          2HD2      LEU  20   1.787  22.637  19.832
  146    H    CYS  21           H        CYS  21   0.618  21.165  13.651
  147    HA   CYS  21           HA       CYS  21   1.744  18.501  13.987
  148    HB2  CYS  21           2HB      CYS  21  -0.227  19.655  12.299
  149    HB3  CYS  21           3HB      CYS  21   1.072  19.070  11.265
  150    HN2  DB2  22           H        DB2  22   2.775  18.060  11.459
  151    HA   DB2  22           HA       DB2  22   4.579  19.876  10.425
  152   HB2C  DB2  22          HB        DB2  22   5.055  16.914  10.696
  153   HG1C  DB2  22          3HG       DB2  22   3.901  17.652   8.178
  154   HG2C  DB2  22          1HG       DB2  22   2.896  18.266   9.493
  155   HG3C  DB2  22          2HG       DB2  22   3.282  16.549   9.407
  156    H    VAL  23           H        VAL  23   4.925  17.755  13.215
  157    HA   VAL  23           HA       VAL  23   7.540  18.994  13.769
  158    HB   VAL  23           HB       VAL  23   5.556  18.352  15.940
  159   HG11  VAL  23          1HG1      VAL  23   6.999  20.192  17.049
  160   HG12  VAL  23          2HG1      VAL  23   7.664  18.565  16.886
  161   HG13  VAL  23          3HG1      VAL  23   8.150  19.835  15.761
  162   HG21  VAL  23          3HG2      VAL  23   5.606  20.643  14.101
  163   HG22  VAL  23          1HG2      VAL  23   4.295  20.014  15.100
  164   HG23  VAL  23          2HG2      VAL  23   5.522  21.062  15.812
  165    HN2  DB2  24           H        DB2  24   9.061  17.724  14.787
  166    HA   DB2  24           HA       DB2  24   8.440  15.085  15.752
  167   HB2C  DB2  24          HB        DB2  24  11.229  15.933  15.152
  168   HG1C  DB2  24          3HG       DB2  24  10.607  17.981  15.988
  169   HG2C  DB2  24          1HG       DB2  24  11.052  17.145  17.478
  170   HG3C  DB2  24          2HG       DB2  24   9.355  17.301  17.028
  171    H    LYS  25           H        LYS  25  10.237  13.370  14.948
  172    HA   LYS  25           HA       LYS  25  11.356  12.999  12.626
  173    HB2  LYS  25           2HB      LYS  25   9.808  11.267  14.318
  174    HB3  LYS  25           3HB      LYS  25   9.562  10.817  12.636
  175    HG2  LYS  25           2HG      LYS  25  11.694  10.109  12.367
  176    HG3  LYS  25           3HG      LYS  25  12.350  11.302  13.491
  177    HD2  LYS  25           2HD      LYS  25  12.081   9.950  15.290
  178    HD3  LYS  25           3HD      LYS  25  10.600   9.226  14.658
  179    HE2  LYS  25           2HE      LYS  25  13.447   8.564  13.944
  180    HE3  LYS  25           3HE      LYS  25  12.239   7.513  14.682
  181    HZ1  LYS  25           3HZ      LYS  25  12.267   6.851  12.479
  182    HZ2  LYS  25           1HZ      LYS  25  12.429   8.426  11.884
  183    HZ3  LYS  25           2HZ      LYS  25  10.949   7.911  12.519
  184    H    GLU  26           H        GLU  26   7.888  13.440  12.951
  185    HA   GLU  26           HA       GLU  26   6.981  12.762  10.447
  186    HB2  GLU  26           2HB      GLU  26   5.993  15.288  11.712
  187    HB3  GLU  26           3HB      GLU  26   5.085  14.025  10.895
  188    HG2  GLU  26           2HG      GLU  26   5.692  12.530  12.853
  189    HG3  GLU  26           3HG      GLU  26   6.222  13.999  13.670
  190    H    CYS  27           H        CYS  27   8.336  15.890  11.460
  191    HA   CYS  27           HA       CYS  27   8.852  16.478   8.619
  192    HB2  CYS  27           2HB      CYS  27   7.958  18.373  10.797
  193    HB3  CYS  27           3HB      CYS  27   8.575  18.906   9.236
  194    H    MET  28           H        MET  28  10.100  16.101  11.741
  195    HA   MET  28           HA       MET  28  12.674  17.234  10.870
  196    HB2  MET  28           2HB      MET  28  12.025  17.177  13.776
  197    HB3  MET  28           3HB      MET  28  13.046  18.290  12.876
  198    HG2  MET  28           2HG      MET  28  10.978  19.267  11.884
  199    HG3  MET  28           3HG      MET  28  10.043  18.251  12.978
  200    HE1  MET  28           3HE      MET  28  11.519  21.312  12.174
  201    HE2  MET  28           1HE      MET  28  11.489  22.316  13.624
  202    HE3  MET  28           2HE      MET  28  12.912  21.341  13.257
  203    HA   PRO  29           HA       PRO  29  13.790  12.959  11.607
  204    HB2  PRO  29           2HB      PRO  29  16.318  13.198  10.645
  205    HB3  PRO  29           3HB      PRO  29  14.902  13.049   9.598
  206    HG2  PRO  29           2HG      PRO  29  16.417  15.504  10.396
  207    HG3  PRO  29           3HG      PRO  29  15.784  15.048   8.804
  208    HD2  PRO  29           2HD      PRO  29  14.521  16.814  10.421
  209    HD3  PRO  29           3HD      PRO  29  13.645  15.735   9.317
  210    H    SER  30           H        SER  30  15.083  15.830  12.949
  211    HA   SER  30           HA       SER  30  17.105  14.571  14.562
  212    HB2  SER  30           2HB      SER  30  16.911  17.068  13.738
  213    HB3  SER  30           3HB      SER  30  15.974  17.265  15.218
  214    HG   SER  30           HG       SER  30  17.770  16.451  16.372
  215    H    CYS  31           H        CYS  31  14.338  13.569  14.752
  216    HA   CYS  31           HA       CYS  31  13.595  14.284  17.489
  217    HB2  CYS  31           2HB      CYS  31  12.147  13.475  15.159
  218    HB3  CYS  31           3HB      CYS  31  11.864  12.292  16.432
  219    H    ASN  32           H        ASN  32  15.431  13.245  18.462
  220    HA   ASN  32           HA       ASN  32  15.630  10.356  18.232
  221    HB2  ASN  32           2HB      ASN  32  17.203  12.312  19.924
  222    HB3  ASN  32           3HB      ASN  32  17.562  10.596  19.749
  223   HD21  ASN  32          1HD2      ASN  32  17.411  13.668  18.076
  224   HD22  ASN  32          2HD2      ASN  32  18.490  13.240  16.796
  Start of MODEL   11
    1    H41  2KT   1           2H4      2KT   1   7.049  12.040  18.482
    2    H42  2KT   1           3H4      2KT   1   7.909  13.205  18.092
    3    H43  2KT   1           1H4      2KT   1   7.211  13.199  19.420
    4    H31  2KT   1           2H3      2KT   1   6.340  14.542  17.941
    5    H32  2KT   1           3H3      2KT   1   6.068  13.459  16.939
    6    H    ILE   2           H        ILE   2   2.633  12.742  19.379
    7    HA   ILE   2           HA       ILE   2   2.275  10.374  17.979
    8    HB   ILE   2           HB       ILE   2  -0.025  10.486  18.515
    9   HG12  ILE   2          2HG1      ILE   2  -0.446  12.716  17.514
   10   HG13  ILE   2          3HG1      ILE   2  -1.202  12.532  19.093
   11   HG21  ILE   2          1HG2      ILE   2   1.959  11.269  20.430
   12   HG22  ILE   2          2HG2      ILE   2   0.402  11.981  20.851
   13   HG23  ILE   2          3HG2      ILE   2   0.546  10.236  20.646
   14   HD11  ILE   2          3HD1      ILE   2   1.060  14.258  18.257
   15   HD12  ILE   2          1HD1      ILE   2  -0.314  14.615  19.303
   16   HD13  ILE   2          2HD1      ILE   2   1.032  13.652  19.912
   17    HN2  DB2   3           H        DB2   3   0.940   9.871  16.154
   18    HA   DB2   3           HA       DB2   3   0.784  12.054  14.173
   19   HB2C  DB2   3          HB        DB2   3  -0.868   9.536  14.280
   20   HG1C  DB2   3          3HG       DB2   3  -2.712  11.055  14.987
   21   HG2C  DB2   3          1HG       DB2   3  -1.529  12.359  15.121
   22   HG3C  DB2   3          2HG       DB2   3  -1.400  10.940  16.160
   23    H    LEU   4           H        LEU   4   2.952  10.028  14.896
   24    HA   LEU   4           HA       LEU   4   4.341   9.782  12.663
   25    HB2  LEU   4           2HB      LEU   4   3.950   7.850  14.891
   26    HB3  LEU   4           3HB      LEU   4   4.887   7.331  13.491
   27    HG   LEU   4           HG       LEU   4   6.363   9.336  13.872
   28   HD11  LEU   4          1HD1      LEU   4   4.645   9.508  16.325
   29   HD12  LEU   4          2HD1      LEU   4   5.070  10.781  15.181
   30   HD13  LEU   4          3HD1      LEU   4   6.287  10.149  16.289
   31   HD21  LEU   4          3HD2      LEU   4   7.026   7.085  14.534
   32   HD22  LEU   4          1HD2      LEU   4   6.194   7.284  16.076
   33   HD23  LEU   4          2HD2      LEU   4   7.600   8.280  15.698
   34    H    DHA   5           H        DHA   5   4.190   8.946  10.735
   35    HB1  DHA   5           2HB      DHA   5   3.411   5.750  10.707
   36    HB2  DHA   5           3HB      DHA   5   2.556   5.691   9.050
   37    H1   DBU   6           H        DBU   6   0.532   7.995   9.591
   38    HB1  DBU   6           HB       DBU   6  -0.200   9.170   5.806
   39    HG1  DBU   6           3HG      DBU   6   1.048   6.718   7.149
   40    HG2  DBU   6           1HG      DBU   6   2.059   7.562   5.988
   41    HG3  DBU   6           2HG      DBU   6   0.534   6.843   5.463
   42    H    CYS   7           H        CYS   7   0.365  10.335  10.032
   43    HA   CYS   7           HA       CYS   7  -1.933  11.938   9.723
   44    HB2  CYS   7           2HB      CYS   7   0.440  12.223  11.576
   45    HB3  CYS   7           3HB      CYS   7  -1.027  13.189  11.698
   46    H    ALA   8           H        ALA   8   1.493  12.942   9.758
   47    HA   ALA   8           HA       ALA   8   1.013  15.560   8.854
   48    HB1  ALA   8           1HB      ALA   8   3.250  15.846   8.997
   49    HB2  ALA   8           2HB      ALA   8   3.161  14.313   9.867
   50    HB3  ALA   8           3HB      ALA   8   3.607  14.334   8.161
   51    H    ILE   9           H        ILE   9   0.664  12.679   7.220
   52    HA   ILE   9           HA       ILE   9   1.385  13.778   4.608
   53    HB   ILE   9           HB       ILE   9   0.367  11.018   5.290
   54   HG12  ILE   9          2HG1      ILE   9   3.142  12.149   5.014
   55   HG13  ILE   9          3HG1      ILE   9   2.478  11.180   6.325
   56   HG21  ILE   9          1HG2      ILE   9  -0.066  11.721   2.976
   57   HG22  ILE   9          2HG2      ILE   9   1.651  12.059   2.769
   58   HG23  ILE   9          3HG2      ILE   9   1.107  10.407   3.061
   59   HD11  ILE   9          3HD1      ILE   9   2.264   9.345   4.507
   60   HD12  ILE   9          1HD1      ILE   9   3.450  10.322   3.642
   61   HD13  ILE   9          2HD1      ILE   9   3.833   9.678   5.239
   62    H    LEU  10           H        LEU  10  -1.421  12.428   6.313
   63    HA   LEU  10           HA       LEU  10  -3.176  13.325   4.155
   64    HB2  LEU  10           2HB      LEU  10  -3.244  11.038   5.466
   65    HB3  LEU  10           3HB      LEU  10  -4.190  11.985   6.613
   66    HG   LEU  10           HG       LEU  10  -5.787  10.945   5.272
   67   HD11  LEU  10          1HD1      LEU  10  -6.447  13.183   5.467
   68   HD12  LEU  10          2HD1      LEU  10  -6.644  12.807   3.755
   69   HD13  LEU  10          3HD1      LEU  10  -5.245  13.733   4.299
   70   HD21  LEU  10          3HD2      LEU  10  -4.521  11.816   2.709
   71   HD22  LEU  10          1HD2      LEU  10  -5.632  10.481   3.017
   72   HD23  LEU  10          2HD2      LEU  10  -3.948  10.361   3.526
   73    H    DAL  11           H        DAL  11  -1.910  15.335   5.690
   74    HA   DAL  11           HA       DAL  11  -4.110  16.962   6.326
   75    HB2  DAL  11           2HB      DAL  11  -2.329  18.464   7.330
   76    HB3  DAL  11           3HB      DAL  11  -2.123  18.038   5.632
   77    H    LYS  12           H        LYS  12  -5.311  17.079   8.097
   78    HA   LYS  12           HA       LYS  12  -5.172  15.403  10.264
   79    HB2  LYS  12           2HB      LYS  12  -4.369  17.071  12.039
   80    HB3  LYS  12           3HB      LYS  12  -3.145  16.283  11.052
   81    HG2  LYS  12           2HG      LYS  12  -2.831  18.235   9.735
   82    HG3  LYS  12           3HG      LYS  12  -4.242  19.017  10.451
   83    HD2  LYS  12           2HD      LYS  12  -2.148  19.889  11.384
   84    HD3  LYS  12           3HD      LYS  12  -3.126  19.086  12.615
   85    HE2  LYS  12           2HE      LYS  12  -0.586  18.610  12.518
   86    HE3  LYS  12           3HE      LYS  12  -1.701  17.263  12.739
   87    HZ1  LYS  12           3HZ      LYS  12  -0.964  17.975  10.002
   88    HZ2  LYS  12           1HZ      LYS  12  -1.284  16.456  10.675
   89    HZ3  LYS  12           2HZ      LYS  12   0.208  17.204  10.947
   90    HA   PRO  13           HA       PRO  13  -9.111  17.303  10.781
   91    HB2  PRO  13           2HB      PRO  13  -9.763  16.275  13.208
   92    HB3  PRO  13           3HB      PRO  13  -9.777  15.316  11.723
   93    HG2  PRO  13           2HG      PRO  13  -7.683  15.474  13.856
   94    HG3  PRO  13           3HG      PRO  13  -8.312  14.048  13.011
   95    HD2  PRO  13           2HD      PRO  13  -5.957  15.210  12.353
   96    HD3  PRO  13           3HD      PRO  13  -6.995  14.412  11.154
   97    H    LEU  14           H        LEU  14 -10.298  18.095  13.102
   98    HA   LEU  14           HA       LEU  14  -8.759  20.477  13.760
   99    HB2  LEU  14           2HB      LEU  14 -10.791  21.368  14.639
  100    HB3  LEU  14           3HB      LEU  14 -11.135  20.630  13.076
  101    HG   LEU  14           HG       LEU  14 -11.640  19.133  15.625
  102   HD11  LEU  14          1HD1      LEU  14 -13.905  20.551  14.385
  103   HD12  LEU  14          2HD1      LEU  14 -12.767  21.552  15.286
  104   HD13  LEU  14          3HD1      LEU  14 -13.572  20.199  16.081
  105   HD21  LEU  14          3HD2      LEU  14 -11.962  17.646  13.938
  106   HD22  LEU  14          1HD2      LEU  14 -12.353  18.897  12.757
  107   HD23  LEU  14          2HD2      LEU  14 -13.561  18.392  13.939
  108    H    GLY  15           H        GLY  15  -9.652  21.153  16.235
  109    HA2  GLY  15           2HA      GLY  15  -9.866  20.164  18.471
  110    HA3  GLY  15           3HA      GLY  15  -8.721  18.936  17.952
  111    H    ASN  16           H        ASN  16  -6.746  19.185  18.728
  112    HA   ASN  16           HA       ASN  16  -5.939  21.603  20.018
  113    HB2  ASN  16           2HB      ASN  16  -3.773  20.395  20.346
  114    HB3  ASN  16           3HB      ASN  16  -5.178  19.502  20.921
  115   HD21  ASN  16          1HD2      ASN  16  -2.493  19.510  18.844
  116   HD22  ASN  16          2HD2      ASN  16  -2.781  17.988  18.078
  117    H    ASN  17           H        ASN  17  -6.397  22.737  17.817
  118    HA   ASN  17           HA       ASN  17  -4.666  22.577  15.657
  119    HB2  ASN  17           2HB      ASN  17  -6.822  24.029  16.077
  120    HB3  ASN  17           3HB      ASN  17  -5.652  25.255  16.559
  121   HD21  ASN  17          1HD2      ASN  17  -7.267  25.741  14.456
  122   HD22  ASN  17          2HD2      ASN  17  -6.368  25.698  12.981
  123    H    GLY  18           H        GLY  18  -2.800  23.729  15.054
  124    HA2  GLY  18           2HA      GLY  18  -1.265  25.596  15.883
  125    HA3  GLY  18           3HA      GLY  18  -1.201  24.642  17.358
  126    H    TYR  19           H        TYR  19  -1.439  22.584  14.754
  127    HA   TYR  19           HA       TYR  19   1.485  22.225  14.689
  128    HB2  TYR  19           2HB      TYR  19  -0.239  20.420  15.658
  129    HB3  TYR  19           3HB      TYR  19  -0.311  19.969  13.958
  130    HD1  TYR  19           HD2      TYR  19   2.783  21.079  13.851
  131    HD2  TYR  19           HD1      TYR  19   0.641  18.052  15.937
  132    HE1  TYR  19           HE2      TYR  19   4.862  19.791  14.104
  133    HE2  TYR  19           HE1      TYR  19   2.715  16.756  16.197
  134    HH   TYR  19           HH       TYR  19   5.128  17.125  16.204
  135    H    LEU  20           H        LEU  20   1.528  20.337  12.612
  136    HA   LEU  20           HA       LEU  20   0.186  21.336  10.295
  137    HB2  LEU  20           2HB      LEU  20   2.858  22.330  10.986
  138    HB3  LEU  20           3HB      LEU  20   2.709  21.711   9.343
  139    HG   LEU  20           HG       LEU  20   1.255  24.022  10.602
  140   HD11  LEU  20          1HD1      LEU  20   3.271  23.650   8.438
  141   HD12  LEU  20          2HD1      LEU  20   3.210  24.849   9.730
  142   HD13  LEU  20          3HD1      LEU  20   2.134  24.994   8.340
  143   HD21  LEU  20          3HD2      LEU  20   0.534  22.379   8.213
  144   HD22  LEU  20          1HD2      LEU  20   0.205  24.112   8.221
  145   HD23  LEU  20          2HD2      LEU  20  -0.508  23.074   9.456
  146    H    CYS  21           H        CYS  21   1.152  20.292   8.258
  147    HA   CYS  21           HA       CYS  21   1.527  17.481   8.848
  148    HB2  CYS  21           2HB      CYS  21   0.681  19.087   6.537
  149    HB3  CYS  21           3HB      CYS  21   1.670  17.693   6.118
  150    HN2  DB2  22           H        DB2  22   3.045  16.464   6.932
  151    HA   DB2  22           HA       DB2  22   5.386  17.637   6.127
  152   HB2C  DB2  22          HB        DB2  22   5.284  14.827   7.190
  153   HG1C  DB2  22          3HG       DB2  22   4.619  14.783   4.459
  154   HG2C  DB2  22          1HG       DB2  22   3.626  16.048   5.187
  155   HG3C  DB2  22          2HG       DB2  22   3.575  14.408   5.830
  156    H    VAL  23           H        VAL  23   5.132  15.609   9.053
  157    HA   VAL  23           HA       VAL  23   7.502  16.930  10.133
  158    HB   VAL  23           HB       VAL  23   5.031  16.715  11.837
  159   HG11  VAL  23          1HG1      VAL  23   7.761  17.853  12.123
  160   HG12  VAL  23          2HG1      VAL  23   6.427  18.671  12.939
  161   HG13  VAL  23          3HG1      VAL  23   6.773  16.977  13.291
  162   HG21  VAL  23          3HG2      VAL  23   4.235  18.250  10.320
  163   HG22  VAL  23          1HG2      VAL  23   5.061  19.307  11.465
  164   HG23  VAL  23          2HG2      VAL  23   5.842  18.874   9.944
  165    HN2  DB2  24           H        DB2  24   8.614  15.729  11.657
  166    HA   DB2  24           HA       DB2  24   7.571  13.314  12.785
  167   HB2C  DB2  24          HB        DB2  24  10.497  13.840  12.625
  168   HG1C  DB2  24          3HG       DB2  24   8.472  15.671  13.756
  169   HG2C  DB2  24          1HG       DB2  24  10.089  16.001  13.128
  170   HG3C  DB2  24          2HG       DB2  24   9.890  15.363  14.759
  171    H    LYS  25           H        LYS  25   9.298  11.359  12.589
  172    HA   LYS  25           HA       LYS  25  10.765  10.547  10.595
  173    HB2  LYS  25           2HB      LYS  25   8.777   9.222  12.193
  174    HB3  LYS  25           3HB      LYS  25   8.782   8.534  10.575
  175    HG2  LYS  25           2HG      LYS  25  10.846   7.636  10.811
  176    HG3  LYS  25           3HG      LYS  25  11.413   8.935  11.863
  177    HD2  LYS  25           2HD      LYS  25  10.748   7.875  13.740
  178    HD3  LYS  25           3HD      LYS  25   9.278   7.250  12.988
  179    HE2  LYS  25           2HE      LYS  25  12.074   6.162  12.673
  180    HE3  LYS  25           3HE      LYS  25  10.751   5.420  13.571
  181    HZ1  LYS  25           3HZ      LYS  25  11.076   5.691  10.653
  182    HZ2  LYS  25           1HZ      LYS  25   9.539   5.482  11.328
  183    HZ3  LYS  25           2HZ      LYS  25  10.732   4.306  11.560
  184    H    GLU  26           H        GLU  26   7.354  11.283  10.196
  185    HA   GLU  26           HA       GLU  26   6.845  10.293   7.682
  186    HB2  GLU  26           2HB      GLU  26   5.891  13.041   8.388
  187    HB3  GLU  26           3HB      GLU  26   5.029  11.739   7.583
  188    HG2  GLU  26           2HG      GLU  26   5.126  10.505   9.797
  189    HG3  GLU  26           3HG      GLU  26   5.639  12.036  10.504
  190    H    CYS  27           H        CYS  27   8.290  13.437   8.499
  191    HA   CYS  27           HA       CYS  27   9.351  13.557   5.753
  192    HB2  CYS  27           2HB      CYS  27   8.316  15.834   7.452
  193    HB3  CYS  27           3HB      CYS  27   9.188  16.047   5.937
  194    H    MET  28           H        MET  28   9.994  13.553   9.072
  195    HA   MET  28           HA       MET  28  12.777  14.361   8.555
  196    HB2  MET  28           2HB      MET  28  10.991  15.739  10.175
  197    HB3  MET  28           3HB      MET  28  11.933  14.781  11.310
  198    HG2  MET  28           2HG      MET  28  13.220  16.480   9.201
  199    HG3  MET  28           3HG      MET  28  12.767  17.116  10.781
  200    HE1  MET  28           3HE      MET  28  15.323  17.837  10.541
  201    HE2  MET  28           1HE      MET  28  14.974  17.550  12.247
  202    HE3  MET  28           2HE      MET  28  16.470  16.941  11.539
  203    HA   PRO  29           HA       PRO  29  13.323  10.178  10.060
  204    HB2  PRO  29           2HB      PRO  29  15.991  10.088   9.564
  205    HB3  PRO  29           3HB      PRO  29  14.772   9.883   8.301
  206    HG2  PRO  29           2HG      PRO  29  16.357  12.316   9.027
  207    HG3  PRO  29           3HG      PRO  29  15.971  11.671   7.421
  208    HD2  PRO  29           2HD      PRO  29  14.623  13.747   8.519
  209    HD3  PRO  29           3HD      PRO  29  13.852  12.579   7.428
  210    H    SER  30           H        SER  30  14.645  13.118  11.214
  211    HA   SER  30           HA       SER  30  16.215  11.975  13.335
  212    HB2  SER  30           2HB      SER  30  16.487  14.296  12.175
  213    HB3  SER  30           3HB      SER  30  15.255  14.821  13.321
  214    HG   SER  30           HG       SER  30  17.087  15.145  14.415
  215    H    CYS  31           H        CYS  31  13.370  11.225  13.139
  216    HA   CYS  31           HA       CYS  31  12.232  12.410  15.558
  217    HB2  CYS  31           2HB      CYS  31  11.146  11.346  13.137
  218    HB3  CYS  31           3HB      CYS  31  10.533  10.397  14.487
  219    H    ASN  32           H        ASN  32  12.379  11.443  17.466
  220    HA   ASN  32           HA       ASN  32  12.657   8.527  17.582
  221    HB2  ASN  32           2HB      ASN  32  14.468   8.636  19.161
  222    HB3  ASN  32           3HB      ASN  32  14.920   9.593  17.753
  223   HD21  ASN  32          1HD2      ASN  32  15.664  11.555  18.112
  224   HD22  ASN  32          2HD2      ASN  32  15.462  12.466  19.566
  Start of MODEL   12
    1    H41  2KT   1           2H4      2KT   1   0.713  14.237  23.047
    2    H42  2KT   1           3H4      2KT   1   1.737  13.183  22.749
    3    H43  2KT   1           1H4      2KT   1   0.890  13.739  21.643
    4    H31  2KT   1           2H3      2KT   1   0.415  11.692  22.385
    5    H32  2KT   1           3H3      2KT   1   0.004  12.195  23.738
    6    H    ILE   2           H        ILE   2  -3.440  13.119  21.203
    7    HA   ILE   2           HA       ILE   2  -3.277  10.735  19.627
    8    HB   ILE   2           HB       ILE   2  -5.278  11.789  18.426
    9   HG12  ILE   2          2HG1      ILE   2  -4.481  14.107  19.470
   10   HG13  ILE   2          3HG1      ILE   2  -6.178  13.773  19.142
   11   HG21  ILE   2          1HG2      ILE   2  -5.094  10.858  21.225
   12   HG22  ILE   2          2HG2      ILE   2  -6.623  11.581  20.728
   13   HG23  ILE   2          3HG2      ILE   2  -5.984  10.185  19.860
   14   HD11  ILE   2          3HD1      ILE   2  -6.724  13.761  21.315
   15   HD12  ILE   2          1HD1      ILE   2  -5.231  12.957  21.798
   16   HD13  ILE   2          2HD1      ILE   2  -5.237  14.693  21.488
   17    HN2  DB2   3           H        DB2   3  -2.195  10.475  17.809
   18    HA   DB2   3           HA       DB2   3  -1.184  12.821  16.385
   19   HB2C  DB2   3          HB        DB2   3  -2.673  10.599  14.995
   20   HG1C  DB2   3          3HG       DB2   3  -4.201  12.660  14.435
   21   HG2C  DB2   3          1HG       DB2   3  -3.475  13.328  15.900
   22   HG3C  DB2   3          2HG       DB2   3  -4.369  11.810  15.971
   23    H    LEU   4           H        LEU   4   0.207  11.069  18.041
   24    HA   LEU   4           HA       LEU   4   2.522  10.562  16.875
   25    HB2  LEU   4           2HB      LEU   4   1.027   8.973  18.901
   26    HB3  LEU   4           3HB      LEU   4   2.544   8.330  18.277
   27    HG   LEU   4           HG       LEU   4   2.780  11.098  19.141
   28   HD11  LEU   4          1HD1      LEU   4   2.259   9.103  21.321
   29   HD12  LEU   4          2HD1      LEU   4   0.991  10.155  20.693
   30   HD13  LEU   4          3HD1      LEU   4   2.426  10.854  21.443
   31   HD21  LEU   4          3HD2      LEU   4   4.801  10.071  18.870
   32   HD22  LEU   4          1HD2      LEU   4   4.210   8.508  19.433
   33   HD23  LEU   4          2HD2      LEU   4   4.555   9.790  20.594
   34    H    DHA   5           H        DHA   5   3.345   9.410  15.313
   35    HB1  DHA   5           2HB      DHA   5   2.432   6.214  15.447
   36    HB2  DHA   5           3HB      DHA   5   2.602   5.824  13.632
   37    H1   DBU   6           H        DBU   6   0.969   7.628  12.423
   38    HB1  DBU   6           HB       DBU   6   2.552   8.264   8.806
   39    HG1  DBU   6           3HG      DBU   6   2.854   6.231  11.077
   40    HG2  DBU   6           1HG      DBU   6   4.322   7.043  10.561
   41    HG3  DBU   6           2HG      DBU   6   3.427   6.040   9.417
   42    H    CYS   7           H        CYS   7  -0.043   9.668  12.077
   43    HA   CYS   7           HA       CYS   7  -1.246  11.155   9.959
   44    HB2  CYS   7           2HB      CYS   7  -2.869  11.753  11.492
   45    HB3  CYS   7           3HB      CYS   7  -2.269  10.259  12.205
   46    H    ALA   8           H        ALA   8   0.841  11.991  12.698
   47    HA   ALA   8           HA       ALA   8   0.875  14.786  12.124
   48    HB1  ALA   8           1HB      ALA   8   2.337  12.977  13.979
   49    HB2  ALA   8           2HB      ALA   8   3.009  14.577  13.657
   50    HB3  ALA   8           3HB      ALA   8   1.383  14.420  14.323
   51    H    ILE   9           H        ILE   9   2.277  12.170  10.590
   52    HA   ILE   9           HA       ILE   9   4.642  13.639   9.702
   53    HB   ILE   9           HB       ILE   9   3.796  10.819   9.029
   54   HG12  ILE   9          2HG1      ILE   9   5.576  11.946  11.180
   55   HG13  ILE   9          3HG1      ILE   9   4.240  10.813  11.347
   56   HG21  ILE   9          1HG2      ILE   9   6.135  10.562   8.299
   57   HG22  ILE   9          2HG2      ILE   9   5.259  11.762   7.350
   58   HG23  ILE   9          3HG2      ILE   9   6.396  12.281   8.594
   59   HD11  ILE   9          3HD1      ILE   9   5.697   9.222   9.954
   60   HD12  ILE   9          1HD1      ILE   9   7.017  10.315  10.366
   61   HD13  ILE   9          2HD1      ILE   9   6.119   9.495  11.644
   62    H    LEU  10           H        LEU  10   1.742  12.091   8.364
   63    HA   LEU  10           HA       LEU  10   2.281  13.299   5.759
   64    HB2  LEU  10           2HB      LEU  10   1.435  10.857   6.282
   65    HB3  LEU  10           3HB      LEU  10  -0.138  11.653   6.309
   66    HG   LEU  10           HG       LEU  10   1.754  11.308   4.005
   67   HD11  LEU  10          1HD1      LEU  10  -0.644  10.733   3.045
   68   HD12  LEU  10          2HD1      LEU  10  -0.976  10.415   4.747
   69   HD13  LEU  10          3HD1      LEU  10   0.319   9.545   3.924
   70   HD21  LEU  10          3HD2      LEU  10   0.947  13.707   4.238
   71   HD22  LEU  10          1HD2      LEU  10  -0.673  13.078   3.934
   72   HD23  LEU  10          2HD2      LEU  10   0.588  12.892   2.715
   73    H    DAL  11           H        DAL  11   1.583  14.996   7.977
   74    HA   DAL  11           HA       DAL  11  -0.107  16.800   6.842
   75    HB2  DAL  11           2HB      DAL  11   0.540  16.194   9.702
   76    HB3  DAL  11           3HB      DAL  11  -0.622  17.460   9.311
   77    H    LYS  12           H        LYS  12  -2.278  17.526   7.856
   78    HA   LYS  12           HA       LYS  12  -4.288  15.815   7.105
   79    HB2  LYS  12           2HB      LYS  12  -5.204  15.201   9.420
   80    HB3  LYS  12           3HB      LYS  12  -3.852  14.259   8.806
   81    HG2  LYS  12           2HG      LYS  12  -2.312  15.410  10.214
   82    HG3  LYS  12           3HG      LYS  12  -3.543  16.581  10.693
   83    HD2  LYS  12           2HD      LYS  12  -4.818  14.422  11.490
   84    HD3  LYS  12           3HD      LYS  12  -3.190  13.740  11.526
   85    HE2  LYS  12           2HE      LYS  12  -3.868  16.345  12.863
   86    HE3  LYS  12           3HE      LYS  12  -4.067  14.794  13.677
   87    HZ1  LYS  12           3HZ      LYS  12  -1.690  16.295  13.213
   88    HZ2  LYS  12           1HZ      LYS  12  -1.540  14.717  12.622
   89    HZ3  LYS  12           2HZ      LYS  12  -1.943  14.977  14.243
   90    HA   PRO  13           HA       PRO  13  -6.647  19.461   7.743
   91    HB2  PRO  13           2HB      PRO  13  -9.152  18.453   8.021
   92    HB3  PRO  13           3HB      PRO  13  -8.295  18.484   6.475
   93    HG2  PRO  13           2HG      PRO  13  -8.628  16.225   8.411
   94    HG3  PRO  13           3HG      PRO  13  -8.748  16.209   6.642
   95    HD2  PRO  13           2HD      PRO  13  -6.537  15.369   7.960
   96    HD3  PRO  13           3HD      PRO  13  -6.461  16.139   6.362
   97    H    LEU  14           H        LEU  14  -7.525  20.759   9.331
   98    HA   LEU  14           HA       LEU  14  -6.987  20.118  12.010
   99    HB2  LEU  14           2HB      LEU  14  -7.412  22.406  10.713
  100    HB3  LEU  14           3HB      LEU  14  -9.018  22.193  11.407
  101    HG   LEU  14           HG       LEU  14  -7.495  21.824  13.604
  102   HD11  LEU  14          1HD1      LEU  14  -6.004  24.111  13.006
  103   HD12  LEU  14          2HD1      LEU  14  -5.755  23.013  11.649
  104   HD13  LEU  14          3HD1      LEU  14  -5.399  22.479  13.292
  105   HD21  LEU  14          3HD2      LEU  14  -9.394  23.543  12.844
  106   HD22  LEU  14          1HD2      LEU  14  -8.020  24.648  12.896
  107   HD23  LEU  14          2HD2      LEU  14  -8.471  23.733  14.336
  108    H    GLY  15           H        GLY  15  -9.213  21.030  13.438
  109    HA2  GLY  15           2HA      GLY  15 -11.666  20.354  13.384
  110    HA3  GLY  15           3HA      GLY  15 -11.040  18.741  13.072
  111    H    ASN  16           H        ASN  16  -9.019  20.473  15.134
  112    HA   ASN  16           HA       ASN  16 -10.398  19.861  17.589
  113    HB2  ASN  16           2HB      ASN  16  -9.434  17.659  16.904
  114    HB3  ASN  16           3HB      ASN  16  -7.831  18.385  16.970
  115   HD21  ASN  16          1HD2      ASN  16 -10.495  17.155  18.777
  116   HD22  ASN  16          2HD2      ASN  16  -9.744  17.216  20.332
  117    H    ASN  17           H        ASN  17  -8.902  22.029  16.033
  118    HA   ASN  17           HA       ASN  17  -7.427  23.733  16.420
  119    HB2  ASN  17           2HB      ASN  17  -8.794  24.730  17.940
  120    HB3  ASN  17           3HB      ASN  17  -8.948  23.270  18.913
  121   HD21  ASN  17          1HD2      ASN  17  -8.369  23.794  20.897
  122   HD22  ASN  17          2HD2      ASN  17  -6.927  24.637  21.340
  123    H    GLY  18           H        GLY  18  -5.399  22.992  15.973
  124    HA2  GLY  18           2HA      GLY  18  -3.223  23.071  17.235
  125    HA3  GLY  18           3HA      GLY  18  -3.907  21.787  18.221
  126    H    TYR  19           H        TYR  19  -2.595  22.619  15.089
  127    HA   TYR  19           HA       TYR  19  -2.940  20.222  13.733
  128    HB2  TYR  19           2HB      TYR  19  -1.807  22.557  13.081
  129    HB3  TYR  19           3HB      TYR  19  -0.343  21.631  13.394
  130    HD1  TYR  19           HD2      TYR  19  -2.169  19.059  12.431
  131    HD2  TYR  19           HD1      TYR  19  -0.804  22.717  10.740
  132    HE1  TYR  19           HE2      TYR  19  -2.315  18.069  10.184
  133    HE2  TYR  19           HE1      TYR  19  -0.947  21.737   8.489
  134    HH   TYR  19           HH       TYR  19  -1.184  19.804   7.334
  135    H    LEU  20           H        LEU  20  -0.391  19.312  13.052
  136    HA   LEU  20           HA       LEU  20   1.191  18.589  15.275
  137    HB2  LEU  20           2HB      LEU  20  -1.183  17.135  15.069
  138    HB3  LEU  20           3HB      LEU  20   0.064  16.073  14.419
  139    HG   LEU  20           HG       LEU  20  -0.023  17.293  17.176
  140   HD11  LEU  20          1HD1      LEU  20   0.208  14.398  16.837
  141   HD12  LEU  20          2HD1      LEU  20  -1.307  15.077  16.244
  142   HD13  LEU  20          3HD1      LEU  20  -0.819  15.339  17.919
  143   HD21  LEU  20          3HD2      LEU  20   2.075  15.504  15.954
  144   HD22  LEU  20          1HD2      LEU  20   2.033  16.086  17.618
  145   HD23  LEU  20          2HD2      LEU  20   2.270  17.224  16.292
  146    H    CYS  21           H        CYS  21   1.349  19.458  12.471
  147    HA   CYS  21           HA       CYS  21   2.565  17.229  11.070
  148    HB2  CYS  21           2HB      CYS  21   1.455  19.780  10.348
  149    HB3  CYS  21           3HB      CYS  21   3.087  19.645   9.700
  150    HN2  DB2  22           H        DB2  22   4.610  18.513   9.710
  151    HA   DB2  22           HA       DB2  22   6.459  19.735  11.531
  152   HB2C  DB2  22          HB        DB2  22   7.045  18.510   8.844
  153   HG1C  DB2  22          3HG       DB2  22   5.698  21.060   9.602
  154   HG2C  DB2  22          1HG       DB2  22   5.359  19.946   8.275
  155   HG3C  DB2  22          2HG       DB2  22   6.736  21.041   8.176
  156    H    VAL  23           H        VAL  23   6.081  16.522  10.097
  157    HA   VAL  23           HA       VAL  23   8.195  15.532  11.890
  158    HB   VAL  23           HB       VAL  23   5.665  13.981  11.389
  159   HG11  VAL  23          1HG1      VAL  23   7.481  13.746  13.755
  160   HG12  VAL  23          2HG1      VAL  23   6.401  12.542  13.049
  161   HG13  VAL  23          3HG1      VAL  23   7.902  12.972  12.227
  162   HG21  VAL  23          3HG2      VAL  23   4.845  15.904  12.471
  163   HG22  VAL  23          1HG2      VAL  23   5.058  14.709  13.750
  164   HG23  VAL  23          2HG2      VAL  23   6.244  15.998  13.541
  165    HN2  DB2  24           H        DB2  24   9.400  13.815  11.146
  166    HA   DB2  24           HA       DB2  24   8.742  12.434   8.710
  167   HB2C  DB2  24          HB        DB2  24  11.477  12.365   9.881
  168   HG1C  DB2  24          3HG       DB2  24   8.962  11.509  11.257
  169   HG2C  DB2  24          1HG       DB2  24  10.380  12.337  11.907
  170   HG3C  DB2  24          2HG       DB2  24  10.459  10.617  11.530
  171    H    LYS  25           H        LYS  25  10.861  12.187   7.200
  172    HA   LYS  25           HA       LYS  25  12.719  13.890   6.541
  173    HB2  LYS  25           2HB      LYS  25  10.871  12.345   4.971
  174    HB3  LYS  25           3HB      LYS  25  11.242  13.846   4.132
  175    HG2  LYS  25           2HG      LYS  25  13.403  13.276   3.771
  176    HG3  LYS  25           3HG      LYS  25  13.527  12.353   5.270
  177    HD2  LYS  25           2HD      LYS  25  12.871  10.432   4.289
  178    HD3  LYS  25           3HD      LYS  25  11.678  11.242   3.270
  179    HE2  LYS  25           2HE      LYS  25  13.237  11.743   1.628
  180    HE3  LYS  25           3HE      LYS  25  14.601  11.588   2.734
  181    HZ1  LYS  25           3HZ      LYS  25  14.563   9.719   1.261
  182    HZ2  LYS  25           1HZ      LYS  25  12.949   9.377   1.640
  183    HZ3  LYS  25           2HZ      LYS  25  14.153   9.180   2.811
  184    H    GLU  26           H        GLU  26   9.313  14.739   6.426
  185    HA   GLU  26           HA       GLU  26   9.361  17.133   5.076
  186    HB2  GLU  26           2HB      GLU  26   7.765  16.919   7.600
  187    HB3  GLU  26           3HB      GLU  26   7.309  17.616   6.051
  188    HG2  GLU  26           2HG      GLU  26   7.399  15.234   5.147
  189    HG3  GLU  26           3HG      GLU  26   7.433  14.726   6.834
  190    H    CYS  27           H        CYS  27   9.988  16.610   8.538
  191    HA   CYS  27           HA       CYS  27  11.357  19.219   8.586
  192    HB2  CYS  27           2HB      CYS  27   9.612  17.976  10.719
  193    HB3  CYS  27           3HB      CYS  27  10.651  19.370  10.998
  194    H    MET  28           H        MET  28  11.532  15.882   9.106
  195    HA   MET  28           HA       MET  28  14.122  16.209  10.466
  196    HB2  MET  28           2HB      MET  28  12.557  13.716  10.918
  197    HB3  MET  28           3HB      MET  28  13.700  14.531  11.977
  198    HG2  MET  28           2HG      MET  28  10.926  15.526  11.369
  199    HG3  MET  28           3HG      MET  28  11.367  14.581  12.789
  200    HE1  MET  28           3HE      MET  28  12.751  15.602  14.895
  201    HE2  MET  28           1HE      MET  28  14.034  15.513  13.688
  202    HE3  MET  28           2HE      MET  28  13.825  16.980  14.645
  203    HA   PRO  29           HA       PRO  29  15.345  14.092   6.713
  204    HB2  PRO  29           2HB      PRO  29  18.012  14.289   7.180
  205    HB3  PRO  29           3HB      PRO  29  17.043  15.632   6.563
  206    HG2  PRO  29           2HG      PRO  29  17.961  15.087   9.360
  207    HG3  PRO  29           3HG      PRO  29  17.938  16.620   8.468
  208    HD2  PRO  29           2HD      PRO  29  16.045  15.966  10.290
  209    HD3  PRO  29           3HD      PRO  29  15.693  16.961   8.862
  210    H    SER  30           H        SER  30  15.837  13.222   9.986
  211    HA   SER  30           HA       SER  30  17.322  10.812   9.477
  212    HB2  SER  30           2HB      SER  30  17.208  12.260  11.660
  213    HB3  SER  30           3HB      SER  30  15.782  11.283  12.007
  214    HG   SER  30           HG       SER  30  18.303  10.179  11.336
  215    H    CYS  31           H        CYS  31  14.755  11.201   8.076
  216    HA   CYS  31           HA       CYS  31  13.080   9.098   9.224
  217    HB2  CYS  31           2HB      CYS  31  12.578  11.451   7.681
  218    HB3  CYS  31           3HB      CYS  31  12.012  10.056   6.768
  219    H    ASN  32           H        ASN  32  13.634   7.089   8.698
  220    HA   ASN  32           HA       ASN  32  14.821   6.550   6.081
  221    HB2  ASN  32           2HB      ASN  32  15.312   4.303   7.035
  222    HB3  ASN  32           3HB      ASN  32  16.017   5.619   7.970
  223   HD21  ASN  32          1HD2      ASN  32  15.541   5.785  10.066
  224   HD22  ASN  32          2HD2      ASN  32  14.380   4.813  10.899
  Start of MODEL   13
    1    H41  2KT   1           2H4      2KT   1  -1.083   1.178  21.512
    2    H42  2KT   1           3H4      2KT   1  -2.109   0.523  20.636
    3    H43  2KT   1           1H4      2KT   1  -0.673   0.094  20.560
    4    H31  2KT   1           2H3      2KT   1  -1.352   1.291  18.871
    5    H32  2KT   1           3H3      2KT   1  -1.749   2.470  19.710
    6    H    ILE   2           H        ILE   2   2.432   3.347  19.590
    7    HA   ILE   2           HA       ILE   2   1.685   5.309  21.534
    8    HB   ILE   2           HB       ILE   2   4.086   5.545  19.745
    9   HG12  ILE   2          2HG1      ILE   2   5.124   4.211  21.818
   10   HG13  ILE   2          3HG1      ILE   2   3.512   3.504  21.835
   11   HG21  ILE   2          1HG2      ILE   2   4.375   7.305  21.085
   12   HG22  ILE   2          2HG2      ILE   2   3.134   6.755  22.210
   13   HG23  ILE   2          3HG2      ILE   2   4.781   6.139  22.344
   14   HD11  ILE   2          3HD1      ILE   2   3.980   2.210  20.102
   15   HD12  ILE   2          1HD1      ILE   2   4.607   3.568  19.167
   16   HD13  ILE   2          2HD1      ILE   2   5.661   2.708  20.289
   17    HN2  DB2   3           H        DB2   3   0.812   7.246  21.237
   18    HA   DB2   3           HA       DB2   3   0.435   8.189  18.477
   19   HB2C  DB2   3          HB        DB2   3   1.257   9.928  20.798
   20   HG1C  DB2   3          3HG       DB2   3   3.375  10.202  19.584
   21   HG2C  DB2   3          1HG       DB2   3   2.802   9.083  18.344
   22   HG3C  DB2   3          2HG       DB2   3   3.071   8.513  19.990
   23    H    LEU   4           H        LEU   4  -1.480   6.793  19.803
   24    HA   LEU   4           HA       LEU   4  -3.787   8.040  19.494
   25    HB2  LEU   4           2HB      LEU   4  -2.925   6.087  21.559
   26    HB3  LEU   4           3HB      LEU   4  -4.520   6.817  21.731
   27    HG   LEU   4           HG       LEU   4  -4.789   6.020  19.234
   28   HD11  LEU   4          1HD1      LEU   4  -3.643   3.890  18.844
   29   HD12  LEU   4          2HD1      LEU   4  -2.711   4.125  20.322
   30   HD13  LEU   4          3HD1      LEU   4  -2.507   5.234  18.966
   31   HD21  LEU   4          3HD2      LEU   4  -5.916   4.084  20.026
   32   HD22  LEU   4          1HD2      LEU   4  -6.072   5.316  21.279
   33   HD23  LEU   4          2HD2      LEU   4  -4.906   4.007  21.471
   34    H    DHA   5           H        DHA   5  -4.855   9.702  20.230
   35    HB1  DHA   5           2HB      DHA   5  -4.848   9.801  23.579
   36    HB2  DHA   5           3HB      DHA   5  -5.106  11.638  23.769
   37    H1   DBU   6           H        DBU   6  -2.848  12.600  22.052
   38    HB1  DBU   6           HB       DBU   6  -4.327  16.145  20.746
   39    HG1  DBU   6           3HG      DBU   6  -5.253  14.003  22.745
   40    HG2  DBU   6           1HG      DBU   6  -6.389  14.484  21.495
   41    HG3  DBU   6           2HG      DBU   6  -5.822  15.674  22.669
   42    H    CYS   7           H        CYS   7  -1.468  12.789  20.406
   43    HA   CYS   7           HA       CYS   7   0.193  14.836  19.277
   44    HB2  CYS   7           2HB      CYS   7   1.887  13.211  19.179
   45    HB3  CYS   7           3HB      CYS   7   0.943  12.757  20.594
   46    H    ALA   8           H        ALA   8  -2.434  13.536  18.027
   47    HA   ALA   8           HA       ALA   8  -1.397  13.686  15.285
   48    HB1  ALA   8           1HB      ALA   8  -2.612  11.765  14.572
   49    HB2  ALA   8           2HB      ALA   8  -1.665  11.296  15.984
   50    HB3  ALA   8           3HB      ALA   8  -3.394  11.602  16.145
   51    H    ILE   9           H        ILE   9  -3.393  14.963  17.496
   52    HA   ILE   9           HA       ILE   9  -5.646  15.438  15.693
   53    HB   ILE   9           HB       ILE   9  -5.319  16.377  18.543
   54   HG12  ILE   9          2HG1      ILE   9  -5.429  13.773  17.860
   55   HG13  ILE   9          3HG1      ILE   9  -6.158  14.412  19.329
   56   HG21  ILE   9          1HG2      ILE   9  -7.711  16.196  16.719
   57   HG22  ILE   9          2HG2      ILE   9  -7.786  16.586  18.436
   58   HG23  ILE   9          3HG2      ILE   9  -6.945  17.665  17.323
   59   HD11  ILE   9          3HD1      ILE   9  -7.589  12.861  17.976
   60   HD12  ILE   9          1HD1      ILE   9  -8.311  14.424  18.359
   61   HD13  ILE   9          2HD1      ILE   9  -7.662  14.124  16.747
   62    H    LEU  10           H        LEU  10  -3.258  17.267  17.589
   63    HA   LEU  10           HA       LEU  10  -3.954  19.695  16.117
   64    HB2  LEU  10           2HB      LEU  10  -3.564  19.475  18.692
   65    HB3  LEU  10           3HB      LEU  10  -1.862  19.577  18.245
   66    HG   LEU  10           HG       LEU  10  -2.671  21.742  16.977
   67   HD11  LEU  10          1HD1      LEU  10  -4.834  22.169  17.294
   68   HD12  LEU  10          2HD1      LEU  10  -4.389  22.621  18.939
   69   HD13  LEU  10          3HD1      LEU  10  -4.964  20.989  18.598
   70   HD21  LEU  10          3HD2      LEU  10  -1.000  21.692  18.742
   71   HD22  LEU  10          1HD2      LEU  10  -2.269  21.591  19.963
   72   HD23  LEU  10          2HD2      LEU  10  -2.108  23.045  18.977
   73    H    DAL  11           H        DAL  11  -2.431  17.345  15.016
   74    HA   DAL  11           HA       DAL  11  -0.655  16.946  13.663
   75    HB2  DAL  11           2HB      DAL  11   0.481  17.767  15.931
   76    HB3  DAL  11           3HB      DAL  11   1.000  19.092  14.891
   77    H    LYS  12           H        LYS  12   0.750  17.966  11.979
   78    HA   LYS  12           HA       LYS  12   0.091  20.688  11.229
   79    HB2  LYS  12           2HB      LYS  12   1.789  20.505   9.592
   80    HB3  LYS  12           3HB      LYS  12   2.397  19.645  11.001
   81    HG2  LYS  12           2HG      LYS  12   1.546  17.528   9.909
   82    HG3  LYS  12           3HG      LYS  12   1.316  18.492   8.448
   83    HD2  LYS  12           2HD      LYS  12   3.949  18.468   9.883
   84    HD3  LYS  12           3HD      LYS  12   3.526  17.191   8.740
   85    HE2  LYS  12           2HE      LYS  12   3.621  20.150   8.158
   86    HE3  LYS  12           3HE      LYS  12   4.809  18.952   7.648
   87    HZ1  LYS  12           3HZ      LYS  12   2.442  19.705   6.356
   88    HZ2  LYS  12           1HZ      LYS  12   2.287  18.084   6.814
   89    HZ3  LYS  12           2HZ      LYS  12   3.593  18.571   5.856
   90    HA   PRO  13           HA       PRO  13  -3.369  19.176   8.813
   91    HB2  PRO  13           2HB      PRO  13  -4.267  21.641   8.114
   92    HB3  PRO  13           3HB      PRO  13  -4.573  20.921   9.699
   93    HG2  PRO  13           2HG      PRO  13  -2.502  22.929   8.898
   94    HG3  PRO  13           3HG      PRO  13  -3.527  22.895  10.345
   95    HD2  PRO  13           2HD      PRO  13  -0.942  22.089  10.371
   96    HD3  PRO  13           3HD      PRO  13  -2.179  21.363  11.416
   97    H    LEU  14           H        LEU  14  -3.793  18.962   6.629
   98    HA   LEU  14           HA       LEU  14  -2.245  20.506   4.709
   99    HB2  LEU  14           2HB      LEU  14  -1.066  18.294   5.513
  100    HB3  LEU  14           3HB      LEU  14  -2.194  17.545   4.384
  101    HG   LEU  14           HG       LEU  14  -1.049  19.591   2.912
  102   HD11  LEU  14          1HD1      LEU  14   1.442  18.750   3.299
  103   HD12  LEU  14          2HD1      LEU  14   0.847  18.578   4.950
  104   HD13  LEU  14          3HD1      LEU  14   0.773  20.145   4.145
  105   HD21  LEU  14          3HD2      LEU  14   0.008  16.783   2.953
  106   HD22  LEU  14          1HD2      LEU  14  -0.206  17.866   1.578
  107   HD23  LEU  14          2HD2      LEU  14  -1.614  17.155   2.368
  108    H    GLY  15           H        GLY  15  -2.762  18.917   2.467
  109    HA2  GLY  15           2HA      GLY  15  -5.592  19.486   2.117
  110    HA3  GLY  15           3HA      GLY  15  -4.451  19.046   0.855
  111    H    ASN  16           H        ASN  16  -3.703  16.788   2.913
  112    HA   ASN  16           HA       ASN  16  -6.011  15.052   2.649
  113    HB2  ASN  16           2HB      ASN  16  -5.200  13.580   1.103
  114    HB3  ASN  16           3HB      ASN  16  -4.372  15.024   0.529
  115   HD21  ASN  16          1HD2      ASN  16  -4.044  11.911   1.882
  116   HD22  ASN  16          2HD2      ASN  16  -2.319  11.881   1.975
  117    H    ASN  17           H        ASN  17  -4.078  16.246   4.683
  118    HA   ASN  17           HA       ASN  17  -2.469  14.298   5.831
  119    HB2  ASN  17           2HB      ASN  17  -2.887  16.839   6.431
  120    HB3  ASN  17           3HB      ASN  17  -4.001  16.150   7.608
  121   HD21  ASN  17          1HD2      ASN  17  -2.904  16.600   9.436
  122   HD22  ASN  17          2HD2      ASN  17  -1.346  15.957   9.817
  123    H    GLY  18           H        GLY  18  -3.323  13.946   8.454
  124    HA2  GLY  18           2HA      GLY  18  -5.516  13.118   9.447
  125    HA3  GLY  18           3HA      GLY  18  -5.553  12.058   8.046
  126    H    TYR  19           H        TYR  19  -2.403  12.545   9.105
  127    HA   TYR  19           HA       TYR  19  -2.454   9.971  10.533
  128    HB2  TYR  19           2HB      TYR  19  -1.117  10.394   8.286
  129    HB3  TYR  19           3HB      TYR  19   0.073  11.076   9.390
  130    HD1  TYR  19           HD2      TYR  19  -2.108   8.036   9.249
  131    HD2  TYR  19           HD1      TYR  19   1.755   9.643  10.019
  132    HE1  TYR  19           HE2      TYR  19  -1.271   5.775   9.735
  133    HE2  TYR  19           HE1      TYR  19   2.604   7.386  10.506
  134    HH   TYR  19           HH       TYR  19   1.764   5.211  11.189
  135    H    LEU  20           H        LEU  20  -0.037   9.948  11.729
  136    HA   LEU  20           HA       LEU  20  -0.444  11.691  13.958
  137    HB2  LEU  20           2HB      LEU  20   1.609   9.628  13.248
  138    HB3  LEU  20           3HB      LEU  20   1.816  10.660  14.661
  139    HG   LEU  20           HG       LEU  20   0.733   8.263  14.841
  140   HD11  LEU  20          1HD1      LEU  20   0.246  10.788  16.298
  141   HD12  LEU  20          2HD1      LEU  20   0.924   9.261  16.862
  142   HD13  LEU  20          3HD1      LEU  20  -0.820   9.434  16.672
  143   HD21  LEU  20          3HD2      LEU  20  -1.673   9.995  14.292
  144   HD22  LEU  20          1HD2      LEU  20  -1.668   8.291  14.747
  145   HD23  LEU  20          2HD2      LEU  20  -1.031   8.786  13.178
  146    H    CYS  21           H        CYS  21   1.378  12.989  14.888
  147    HA   CYS  21           HA       CYS  21   2.378  14.782  12.842
  148    HB2  CYS  21           2HB      CYS  21   1.572  15.056  15.529
  149    HB3  CYS  21           3HB      CYS  21   3.292  15.433  15.497
  150    HN2  DB2  22           H        DB2  22   4.683  15.738  14.042
  151    HA   DB2  22           HA       DB2  22   6.545  13.620  14.561
  152   HB2C  DB2  22          HB        DB2  22   7.081  16.504  13.869
  153   HG1C  DB2  22          3HG       DB2  22   7.196  15.601  16.682
  154   HG2C  DB2  22          1HG       DB2  22   5.592  15.662  15.946
  155   HG3C  DB2  22          2HG       DB2  22   6.597  17.110  15.993
  156    H    VAL  23           H        VAL  23   5.625  15.546  11.773
  157    HA   VAL  23           HA       VAL  23   7.549  14.030  10.138
  158    HB   VAL  23           HB       VAL  23   4.785  14.717   9.166
  159   HG11  VAL  23          1HG1      VAL  23   5.379  12.704   7.671
  160   HG12  VAL  23          2HG1      VAL  23   6.159  14.253   7.344
  161   HG13  VAL  23          3HG1      VAL  23   7.035  12.987   8.205
  162   HG21  VAL  23          3HG2      VAL  23   4.050  12.492   9.704
  163   HG22  VAL  23          1HG2      VAL  23   5.642  12.073  10.335
  164   HG23  VAL  23          2HG2      VAL  23   4.645  13.260  11.176
  165    HN2  DB2  24           H        DB2  24   8.420  15.083   8.376
  166    HA   DB2  24           HA       DB2  24   7.538  17.702   7.579
  167   HB2C  DB2  24          HB        DB2  24  10.210  16.641   6.816
  168   HG1C  DB2  24          3HG       DB2  24   7.586  15.333   6.234
  169   HG2C  DB2  24          1HG       DB2  24   9.146  14.611   6.637
  170   HG3C  DB2  24          2HG       DB2  24   8.872  15.276   5.028
  171    H    LYS  25           H        LYS  25   9.576  19.292   7.221
  172    HA   LYS  25           HA       LYS  25  11.719  19.709   8.635
  173    HB2  LYS  25           2HB      LYS  25   9.606  21.462   7.782
  174    HB3  LYS  25           3HB      LYS  25  10.262  22.033   9.310
  175    HG2  LYS  25           2HG      LYS  25  12.255  22.588   8.407
  176    HG3  LYS  25           3HG      LYS  25  12.227  21.256   7.249
  177    HD2  LYS  25           2HD      LYS  25  11.704  22.768   5.695
  178    HD3  LYS  25           3HD      LYS  25  10.121  22.887   6.467
  179    HE2  LYS  25           2HE      LYS  25  12.482  24.512   7.376
  180    HE3  LYS  25           3HE      LYS  25  11.402  25.058   6.094
  181    HZ1  LYS  25           3HZ      LYS  25  10.687  25.979   8.167
  182    HZ2  LYS  25           1HZ      LYS  25  10.656  24.456   8.903
  183    HZ3  LYS  25           2HZ      LYS  25   9.546  24.827   7.682
  184    H    GLU  26           H        GLU  26   8.539  19.561  10.121
  185    HA   GLU  26           HA       GLU  26   9.055  20.458  12.668
  186    HB2  GLU  26           2HB      GLU  26   7.428  17.971  12.306
  187    HB3  GLU  26           3HB      GLU  26   7.125  19.357  13.344
  188    HG2  GLU  26           2HG      GLU  26   6.749  20.679  11.207
  189    HG3  GLU  26           3HG      GLU  26   6.705  19.121  10.385
  190    H    CYS  27           H        CYS  27   9.539  17.165  11.415
  191    HA   CYS  27           HA       CYS  27  11.368  16.678  13.674
  192    HB2  CYS  27           2HB      CYS  27   9.398  14.790  12.382
  193    HB3  CYS  27           3HB      CYS  27  10.707  14.241  13.424
  194    H    MET  28           H        MET  28  10.927  16.781  10.315
  195    HA   MET  28           HA       MET  28  13.552  15.510   9.916
  196    HB2  MET  28           2HB      MET  28  11.246  14.402   9.017
  197    HB3  MET  28           3HB      MET  28  11.665  15.420   7.645
  198    HG2  MET  28           2HG      MET  28  12.590  13.287   7.235
  199    HG3  MET  28           3HG      MET  28  13.927  14.354   7.658
  200    HE1  MET  28           3HE      MET  28  12.476  10.588   9.418
  201    HE2  MET  28           1HE      MET  28  11.526  11.822  10.246
  202    HE3  MET  28           2HE      MET  28  11.537  11.755   8.484
  203    HA   PRO  29           HA       PRO  29  14.301  19.632   8.329
  204    HB2  PRO  29           2HB      PRO  29  16.965  19.268   7.954
  205    HB3  PRO  29           3HB      PRO  29  16.253  19.593   9.539
  206    HG2  PRO  29           2HG      PRO  29  17.098  16.982   8.342
  207    HG3  PRO  29           3HG      PRO  29  17.346  17.590   9.989
  208    HD2  PRO  29           2HD      PRO  29  15.393  15.821   9.368
  209    HD3  PRO  29           3HD      PRO  29  15.210  17.034  10.651
  210    H    SER  30           H        SER  30  14.698  16.586   6.808
  211    HA   SER  30           HA       SER  30  15.687  17.589   4.301
  212    HB2  SER  30           2HB      SER  30  15.890  15.182   5.340
  213    HB3  SER  30           3HB      SER  30  14.328  14.931   4.562
  214    HG   SER  30           HG       SER  30  15.505  14.533   2.866
  215    H    CYS  31           H        CYS  31  13.207  18.752   5.391
  216    HA   CYS  31           HA       CYS  31  11.182  17.877   3.477
  217    HB2  CYS  31           2HB      CYS  31  11.118  19.000   6.098
  218    HB3  CYS  31           3HB      CYS  31  10.296  20.111   5.007
  219    H    ASN  32           H        ASN  32  11.218  18.757   1.523
  220    HA   ASN  32           HA       ASN  32  11.339  21.630   1.229
  221    HB2  ASN  32           2HB      ASN  32  13.746  20.657   1.175
  222    HB3  ASN  32           3HB      ASN  32  13.295  20.046  -0.414
  223   HD21  ASN  32          1HD2      ASN  32  13.143  21.428  -2.112
  224   HD22  ASN  32          2HD2      ASN  32  13.567  23.101  -2.026
  Start of MODEL   14
    1    H41  2KT   1           2H4      2KT   1  -8.307   6.421  23.616
    2    H42  2KT   1           3H4      2KT   1  -8.257   7.160  24.921
    3    H43  2KT   1           1H4      2KT   1  -7.089   7.217  23.981
    4    H31  2KT   1           2H3      2KT   1  -6.633   5.986  25.638
    5    H32  2KT   1           3H3      2KT   1  -7.886   5.163  25.589
    6    H    ILE   2           H        ILE   2  -5.269   3.212  22.685
    7    HA   ILE   2           HA       ILE   2  -2.741   3.990  23.523
    8    HB   ILE   2           HB       ILE   2  -1.861   2.980  21.575
    9   HG12  ILE   2          2HG1      ILE   2  -4.563   3.521  20.342
   10   HG13  ILE   2          3HG1      ILE   2  -3.002   4.159  19.837
   11   HG21  ILE   2          1HG2      ILE   2  -4.467   1.531  21.934
   12   HG22  ILE   2          2HG2      ILE   2  -2.872   0.861  21.598
   13   HG23  ILE   2          3HG2      ILE   2  -3.222   1.549  23.183
   14   HD11  ILE   2          3HD1      ILE   2  -3.580   2.506  18.272
   15   HD12  ILE   2          1HD1      ILE   2  -2.349   1.782  19.306
   16   HD13  ILE   2          2HD1      ILE   2  -4.048   1.365  19.533
   17    HN2  DB2   3           H        DB2   3  -1.113   5.228  22.309
   18    HA   DB2   3           HA       DB2   3  -2.296   7.624  21.051
   19   HB2C  DB2   3          HB        DB2   3   0.448   6.478  20.564
   20   HG1C  DB2   3          3HG       DB2   3  -0.782   4.912  19.479
   21   HG2C  DB2   3          1HG       DB2   3  -0.808   6.144  18.215
   22   HG3C  DB2   3          2HG       DB2   3  -2.182   5.971  19.307
   23    H    LEU   4           H        LEU   4  -1.925   7.263  23.865
   24    HA   LEU   4           HA       LEU   4  -1.143   9.606  24.802
   25    HB2  LEU   4           2HB      LEU   4  -0.732   6.876  25.913
   26    HB3  LEU   4           3HB      LEU   4  -0.016   8.244  26.763
   27    HG   LEU   4           HG       LEU   4  -2.498   9.175  26.560
   28   HD11  LEU   4          1HD1      LEU   4  -3.716   7.568  25.508
   29   HD12  LEU   4          2HD1      LEU   4  -3.885   7.001  27.169
   30   HD13  LEU   4          3HD1      LEU   4  -2.702   6.251  26.099
   31   HD21  LEU   4          3HD2      LEU   4  -2.919   8.148  28.807
   32   HD22  LEU   4          1HD2      LEU   4  -1.370   8.975  28.648
   33   HD23  LEU   4          2HD2      LEU   4  -1.439   7.214  28.587
   34    H    DHA   5           H        DHA   5   0.566  10.839  24.912
   35    HB1  DHA   5           2HB      DHA   5   3.267   9.280  26.009
   36    HB2  DHA   5           3HB      DHA   5   4.547  10.328  25.148
   37    H1   DBU   6           H        DBU   6   3.944  10.140  22.552
   38    HB1  DBU   6           HB       DBU   6   5.061  13.619  20.889
   39    HG1  DBU   6           3HG      DBU   6   4.568  13.330  23.775
   40    HG2  DBU   6           1HG      DBU   6   6.023  14.017  23.072
   41    HG3  DBU   6           2HG      DBU   6   5.927  12.278  23.363
   42    H    CYS   7           H        CYS   7   2.602   9.953  20.715
   43    HA   CYS   7           HA       CYS   7   2.865  10.323  17.907
   44    HB2  CYS   7           2HB      CYS   7   1.701   8.338  17.681
   45    HB3  CYS   7           3HB      CYS   7   2.354   8.162  19.306
   46    H    ALA   8           H        ALA   8   0.607  11.427  20.289
   47    HA   ALA   8           HA       ALA   8  -1.299  12.289  18.244
   48    HB1  ALA   8           1HB      ALA   8  -2.410  13.137  20.540
   49    HB2  ALA   8           2HB      ALA   8  -2.628  11.510  19.894
   50    HB3  ALA   8           3HB      ALA   8  -1.427  11.806  21.151
   51    H    ILE   9           H        ILE   9   1.448  13.453  19.631
   52    HA   ILE   9           HA       ILE   9   0.541  16.230  19.786
   53    HB   ILE   9           HB       ILE   9   3.278  15.108  20.393
   54   HG12  ILE   9          2HG1      ILE   9   0.872  15.604  22.137
   55   HG13  ILE   9          3HG1      ILE   9   1.826  14.132  21.986
   56   HG21  ILE   9          1HG2      ILE   9   3.778  17.204  21.377
   57   HG22  ILE   9          2HG2      ILE   9   3.083  17.547  19.794
   58   HG23  ILE   9          3HG2      ILE   9   2.103  17.742  21.247
   59   HD11  ILE   9          3HD1      ILE   9   3.747  15.497  22.967
   60   HD12  ILE   9          1HD1      ILE   9   2.509  16.669  23.419
   61   HD13  ILE   9          2HD1      ILE   9   2.436  15.023  24.047
   62    H    LEU  10           H        LEU  10   2.991  14.264  18.120
   63    HA   LEU  10           HA       LEU  10   3.471  16.459  16.248
   64    HB2  LEU  10           2HB      LEU  10   5.111  14.516  17.406
   65    HB3  LEU  10           3HB      LEU  10   4.969  14.053  15.711
   66    HG   LEU  10           HG       LEU  10   5.955  16.709  16.751
   67   HD11  LEU  10          1HD1      LEU  10   8.093  16.009  16.366
   68   HD12  LEU  10          2HD1      LEU  10   7.608  14.821  15.157
   69   HD13  LEU  10          3HD1      LEU  10   7.363  14.485  16.870
   70   HD21  LEU  10          3HD2      LEU  10   5.720  17.542  14.705
   71   HD22  LEU  10          1HD2      LEU  10   4.773  16.112  14.291
   72   HD23  LEU  10          2HD2      LEU  10   6.510  16.139  13.983
   73    H    DAL  11           H        DAL  11   1.052  14.608  16.366
   74    HA   DAL  11           HA       DAL  11  -0.347  13.560  14.921
   75    HB2  DAL  11           2HB      DAL  11   0.493  11.770  13.832
   76    HB3  DAL  11           3HB      DAL  11   1.969  12.178  14.705
   77    H    LYS  12           H        LYS  12  -1.519  14.087  13.114
   78    HA   LYS  12           HA       LYS  12  -0.885  15.070  10.716
   79    HB2  LYS  12           2HB      LYS  12  -2.967  16.555  10.898
   80    HB3  LYS  12           3HB      LYS  12  -3.177  14.829  11.159
   81    HG2  LYS  12           2HG      LYS  12  -3.329  15.118  13.511
   82    HG3  LYS  12           3HG      LYS  12  -2.824  16.805  13.397
   83    HD2  LYS  12           2HD      LYS  12  -4.865  17.496  12.565
   84    HD3  LYS  12           3HD      LYS  12  -5.269  15.896  11.940
   85    HE2  LYS  12           2HE      LYS  12  -6.650  16.417  13.863
   86    HE3  LYS  12           3HE      LYS  12  -5.556  15.089  14.244
   87    HZ1  LYS  12           3HZ      LYS  12  -4.652  16.261  15.878
   88    HZ2  LYS  12           1HZ      LYS  12  -5.878  17.409  15.672
   89    HZ3  LYS  12           2HZ      LYS  12  -4.394  17.606  14.885
   90    HA   PRO  13           HA       PRO  13   1.382  18.818  11.162
   91    HB2  PRO  13           2HB      PRO  13   0.925  19.887   8.709
   92    HB3  PRO  13           3HB      PRO  13   2.013  18.520   8.973
   93    HG2  PRO  13           2HG      PRO  13  -0.823  18.526   8.017
   94    HG3  PRO  13           3HG      PRO  13   0.556  17.584   7.421
   95    HD2  PRO  13           2HD      PRO  13  -1.314  16.541   9.078
   96    HD3  PRO  13           3HD      PRO  13   0.385  16.029   9.113
   97    H    LEU  14           H        LEU  14   0.894  21.252  10.123
   98    HA   LEU  14           HA       LEU  14  -1.412  22.126  11.659
   99    HB2  LEU  14           2HB      LEU  14   1.121  23.196  11.042
  100    HB3  LEU  14           3HB      LEU  14  -0.072  24.263  10.305
  101    HG   LEU  14           HG       LEU  14  -0.044  23.484  13.219
  102   HD11  LEU  14          1HD1      LEU  14   0.624  25.949  13.445
  103   HD12  LEU  14          2HD1      LEU  14   1.118  25.829  11.757
  104   HD13  LEU  14          3HD1      LEU  14   1.869  24.793  12.971
  105   HD21  LEU  14          3HD2      LEU  14  -1.711  25.162  13.506
  106   HD22  LEU  14          1HD2      LEU  14  -2.243  24.110  12.194
  107   HD23  LEU  14          2HD2      LEU  14  -1.553  25.692  11.831
  108    H    GLY  15           H        GLY  15  -2.042  24.485  10.298
  109    HA2  GLY  15           2HA      GLY  15  -3.240  25.322   8.512
  110    HA3  GLY  15           3HA      GLY  15  -2.685  23.954   7.558
  111    H    ASN  16           H        ASN  16  -4.631  24.134  10.533
  112    HA   ASN  16           HA       ASN  16  -6.574  23.071  11.095
  113    HB2  ASN  16           2HB      ASN  16  -8.467  23.635   9.704
  114    HB3  ASN  16           3HB      ASN  16  -7.365  25.009   9.733
  115   HD21  ASN  16          1HD2      ASN  16  -8.716  22.454   7.823
  116   HD22  ASN  16          2HD2      ASN  16  -8.163  23.029   6.291
  117    H    ASN  17           H        ASN  17  -8.492  21.716   9.636
  118    HA   ASN  17           HA       ASN  17  -8.972  19.577   9.010
  119    HB2  ASN  17           2HB      ASN  17  -8.594  20.016   6.798
  120    HB3  ASN  17           3HB      ASN  17  -6.944  20.564   7.077
  121   HD21  ASN  17          1HD2      ASN  17  -6.116  19.344   5.404
  122   HD22  ASN  17          2HD2      ASN  17  -5.979  17.624   5.487
  123    H    GLY  18           H        GLY  18  -5.540  19.228   8.278
  124    HA2  GLY  18           2HA      GLY  18  -3.987  18.287   9.934
  125    HA3  GLY  18           3HA      GLY  18  -5.331  17.325  10.529
  126    H    TYR  19           H        TYR  19  -3.026  17.739   7.924
  127    HA   TYR  19           HA       TYR  19  -3.876  15.533   6.362
  128    HB2  TYR  19           2HB      TYR  19  -2.254  17.535   5.809
  129    HB3  TYR  19           3HB      TYR  19  -1.019  16.420   6.384
  130    HD1  TYR  19           HD1      TYR  19  -4.051  16.158   4.201
  131    HD2  TYR  19           HD2      TYR  19   0.096  15.343   4.687
  132    HE1  TYR  19           HE1      TYR  19  -4.012  15.075   1.994
  133    HE2  TYR  19           HE2      TYR  19   0.148  14.258   2.481
  134    HH   TYR  19           HH       TYR  19  -2.764  13.612   0.683
  135    H    LEU  20           H        LEU  20  -1.848  13.884   5.886
  136    HA   LEU  20           HA       LEU  20  -1.862  12.156   8.155
  137    HB2  LEU  20           2HB      LEU  20  -1.855  11.493   5.704
  138    HB3  LEU  20           3HB      LEU  20  -0.133  11.869   5.712
  139    HG   LEU  20           HG       LEU  20   0.240  10.124   7.387
  140   HD11  LEU  20          1HD1      LEU  20  -2.598  10.299   7.669
  141   HD12  LEU  20          2HD1      LEU  20  -1.432   9.421   8.658
  142   HD13  LEU  20          3HD1      LEU  20  -2.149   8.647   7.245
  143   HD21  LEU  20          3HD2      LEU  20   0.057   8.284   5.935
  144   HD22  LEU  20          1HD2      LEU  20   0.218   9.690   4.882
  145   HD23  LEU  20          2HD2      LEU  20  -1.365   8.953   5.132
  146    H    CYS  21           H        CYS  21   0.131  11.181   9.062
  147    HA   CYS  21           HA       CYS  21   2.015  13.292   9.749
  148    HB2  CYS  21           2HB      CYS  21   0.874  11.108  11.137
  149    HB3  CYS  21           3HB      CYS  21   2.602  10.788  11.030
  150    HN2  DB2  22           H        DB2  22   4.256  11.848  10.397
  151    HA   DB2  22           HA       DB2  22   5.260  10.040   8.561
  152   HB2C  DB2  22          HB        DB2  22   6.782  12.261   9.916
  153   HG1C  DB2  22          3HG       DB2  22   6.779   9.556  11.090
  154   HG2C  DB2  22          1HG       DB2  22   5.235  10.411  11.139
  155   HG3C  DB2  22          2HG       DB2  22   6.667  11.136  11.867
  156    H    VAL  23           H        VAL  23   4.950  13.525   8.310
  157    HA   VAL  23           HA       VAL  23   6.093  13.397   5.598
  158    HB   VAL  23           HB       VAL  23   3.708  15.104   6.272
  159   HG11  VAL  23          1HG1      VAL  23   3.559  15.533   4.014
  160   HG12  VAL  23          2HG1      VAL  23   5.307  15.421   4.230
  161   HG13  VAL  23          3HG1      VAL  23   4.410  14.054   3.568
  162   HG21  VAL  23          3HG2      VAL  23   2.510  13.221   6.448
  163   HG22  VAL  23          1HG2      VAL  23   2.734  13.076   4.704
  164   HG23  VAL  23          2HG2      VAL  23   3.816  12.224   5.807
  165    HN2  DB2  24           H        DB2  24   7.161  15.220   4.871
  166    HA   DB2  24           HA       DB2  24   7.240  17.652   6.400
  167   HB2C  DB2  24          HB        DB2  24   9.300  17.017   4.352
  168   HG1C  DB2  24          3HG       DB2  24   7.462  17.729   2.635
  169   HG2C  DB2  24          1HG       DB2  24   6.352  17.149   3.878
  170   HG3C  DB2  24          2HG       DB2  24   7.552  16.057   3.189
  171    H    LYS  25           H        LYS  25   9.685  18.530   6.623
  172    HA   LYS  25           HA       LYS  25  11.919  17.325   7.188
  173    HB2  LYS  25           2HB      LYS  25  10.532  19.494   8.454
  174    HB3  LYS  25           3HB      LYS  25  11.411  18.582   9.675
  175    HG2  LYS  25           2HG      LYS  25  12.602  19.732   7.158
  176    HG3  LYS  25           3HG      LYS  25  12.735  20.428   8.775
  177    HD2  LYS  25           2HD      LYS  25  13.757  17.714   7.936
  178    HD3  LYS  25           3HD      LYS  25  14.744  19.161   8.161
  179    HE2  LYS  25           2HE      LYS  25  13.250  17.572  10.228
  180    HE3  LYS  25           3HE      LYS  25  14.977  17.918  10.148
  181    HZ1  LYS  25           3HZ      LYS  25  14.102  20.372  10.313
  182    HZ2  LYS  25           1HZ      LYS  25  14.332  19.430  11.700
  183    HZ3  LYS  25           2HZ      LYS  25  12.779  19.624  11.057
  184    H    GLU  26           H        GLU  26   8.997  16.739   9.051
  185    HA   GLU  26           HA       GLU  26   9.961  15.302  11.188
  186    HB2  GLU  26           2HB      GLU  26   7.527  14.315   9.754
  187    HB3  GLU  26           3HB      GLU  26   7.811  14.478  11.481
  188    HG2  GLU  26           2HG      GLU  26   7.801  16.985  11.095
  189    HG3  GLU  26           3HG      GLU  26   7.156  16.626   9.494
  190    H    CYS  27           H        CYS  27   9.143  14.057   7.959
  191    HA   CYS  27           HA       CYS  27  10.806  11.697   8.552
  192    HB2  CYS  27           2HB      CYS  27   8.212  11.863   7.016
  193    HB3  CYS  27           3HB      CYS  27   9.296  10.479   6.913
  194    H    MET  28           H        MET  28  10.224  14.362   6.534
  195    HA   MET  28           HA       MET  28  12.193  13.342   4.598
  196    HB2  MET  28           2HB      MET  28   9.612  13.721   3.928
  197    HB3  MET  28           3HB      MET  28  10.227  15.344   3.644
  198    HG2  MET  28           2HG      MET  28  10.423  14.289   1.585
  199    HG3  MET  28           3HG      MET  28  12.049  14.225   2.259
  200    HE1  MET  28           3HE      MET  28  10.191  12.668   0.030
  201    HE2  MET  28           1HE      MET  28  11.845  12.063  -0.074
  202    HE3  MET  28           2HE      MET  28  10.506  10.936   0.146
  203    HA   PRO  29           HA       PRO  29  14.269  16.999   6.143
  204    HB2  PRO  29           2HB      PRO  29  16.600  16.525   4.834
  205    HB3  PRO  29           3HB      PRO  29  16.147  15.687   6.323
  206    HG2  PRO  29           2HG      PRO  29  15.930  14.758   3.485
  207    HG3  PRO  29           3HG      PRO  29  16.477  13.865   4.916
  208    HD2  PRO  29           2HD      PRO  29  13.987  13.587   3.889
  209    HD3  PRO  29           3HD      PRO  29  14.326  13.435   5.625
  210    H    SER  30           H        SER  30  13.471  16.118   2.925
  211    HA   SER  30           HA       SER  30  14.598  18.438   1.654
  212    HB2  SER  30           2HB      SER  30  13.872  16.038   0.689
  213    HB3  SER  30           3HB      SER  30  12.398  16.938   0.333
  214    HG   SER  30           HG       SER  30  13.412  17.936  -1.207
  215    H    CYS  31           H        CYS  31  12.755  18.837   3.925
  216    HA   CYS  31           HA       CYS  31  10.440  20.100   2.673
  217    HB2  CYS  31           2HB      CYS  31  10.947  18.882   5.202
  218    HB3  CYS  31           3HB      CYS  31  10.510  20.564   5.485
  219    H    ASN  32           H        ASN  32   9.899  22.304   3.049
  220    HA   ASN  32           HA       ASN  32  12.255  24.013   3.213
  221    HB2  ASN  32           2HB      ASN  32  10.906  25.730   2.228
  222    HB3  ASN  32           3HB      ASN  32  10.576  24.239   1.350
  223   HD21  ASN  32          1HD2      ASN  32   8.845  26.342   1.221
  224   HD22  ASN  32          2HD2      ASN  32   7.381  25.947   2.049
  Start of MODEL   15
    1    H41  2KT   1           2H4      2KT   1  -4.578   4.573  24.482
    2    H42  2KT   1           3H4      2KT   1  -3.700   5.025  23.353
    3    H43  2KT   1           1H4      2KT   1  -4.300   3.650  23.333
    4    H31  2KT   1           2H3      2KT   1  -2.444   4.655  24.945
    5    H32  2KT   1           3H3      2KT   1  -3.111   3.406  25.440
    6    H    ILE   2           H        ILE   2  -0.331   1.948  22.396
    7    HA   ILE   2           HA       ILE   2   1.919   3.399  23.133
    8    HB   ILE   2           HB       ILE   2   1.592   2.487  20.301
    9   HG12  ILE   2          2HG1      ILE   2   1.619   0.781  22.771
   10   HG13  ILE   2          3HG1      ILE   2   0.620   0.627  21.330
   11   HG21  ILE   2          1HG2      ILE   2   3.825   2.509  20.269
   12   HG22  ILE   2          2HG2      ILE   2   3.711   3.434  21.765
   13   HG23  ILE   2          3HG2      ILE   2   3.942   1.687  21.825
   14   HD11  ILE   2          3HD1      ILE   2   3.163   0.274  20.359
   15   HD12  ILE   2          1HD1      ILE   2   3.218  -0.518  21.933
   16   HD13  ILE   2          2HD1      ILE   2   2.009  -1.003  20.743
   17    HN2  DB2   3           H        DB2   3   2.417   5.460  22.920
   18    HA   DB2   3           HA       DB2   3   0.944   7.110  21.006
   19   HB2C  DB2   3          HB        DB2   3   3.952   7.139  21.188
   20   HG1C  DB2   3          3HG       DB2   3   3.388   5.146  20.074
   21   HG2C  DB2   3          1HG       DB2   3   3.755   6.298  18.787
   22   HG3C  DB2   3          2HG       DB2   3   2.079   5.916  19.178
   23    H    LEU   4           H        LEU   4   1.293   6.676  24.008
   24    HA   LEU   4           HA       LEU   4   0.574   8.991  25.058
   25    HB2  LEU   4           2HB      LEU   4   2.424   6.909  26.098
   26    HB3  LEU   4           3HB      LEU   4   2.246   8.398  27.024
   27    HG   LEU   4           HG       LEU   4  -0.303   7.869  26.856
   28   HD11  LEU   4          1HD1      LEU   4  -0.201   5.156  27.095
   29   HD12  LEU   4          2HD1      LEU   4   0.948   5.450  25.790
   30   HD13  LEU   4          3HD1      LEU   4  -0.711   6.030  25.650
   31   HD21  LEU   4          3HD2      LEU   4   0.693   5.927  28.717
   32   HD22  LEU   4          1HD2      LEU   4  -0.024   7.509  29.028
   33   HD23  LEU   4          2HD2      LEU   4   1.711   7.367  28.745
   34    H    DHA   5           H        DHA   5   1.263  10.972  25.257
   35    HB1  DHA   5           2HB      DHA   5   4.284  11.228  26.534
   36    HB2  DHA   5           3HB      DHA   5   4.784  12.837  25.735
   37    H1   DBU   6           H        DBU   6   4.175  12.000  22.797
   38    HB1  DBU   6           HB       DBU   6   3.565  15.624  21.156
   39    HG1  DBU   6           3HG      DBU   6   4.976  14.596  23.638
   40    HG2  DBU   6           1HG      DBU   6   3.547  15.555  23.986
   41    HG3  DBU   6           2HG      DBU   6   4.891  16.275  23.095
   42    H    CYS   7           H        CYS   7   2.470  11.339  21.300
   43    HA   CYS   7           HA       CYS   7   2.472  11.416  18.491
   44    HB2  CYS   7           2HB      CYS   7   0.914   9.662  20.399
   45    HB3  CYS   7           3HB      CYS   7   1.019   9.389  18.663
   46    H    ALA   8           H        ALA   8  -0.264  11.650  20.766
   47    HA   ALA   8           HA       ALA   8  -2.195  12.225  18.783
   48    HB1  ALA   8           1HB      ALA   8  -3.629  12.897  20.668
   49    HB2  ALA   8           2HB      ALA   8  -2.839  11.343  20.943
   50    HB3  ALA   8           3HB      ALA   8  -2.235  12.794  21.744
   51    H    ILE   9           H        ILE   9   0.364  14.053  19.787
   52    HA   ILE   9           HA       ILE   9  -1.009  16.623  19.526
   53    HB   ILE   9           HB       ILE   9   1.895  16.094  20.162
   54   HG12  ILE   9          2HG1      ILE   9  -0.517  16.491  21.923
   55   HG13  ILE   9          3HG1      ILE   9   0.674  15.196  21.976
   56   HG21  ILE   9          1HG2      ILE   9   1.542  18.292  19.222
   57   HG22  ILE   9          2HG2      ILE   9   0.219  18.593  20.347
   58   HG23  ILE   9          3HG2      ILE   9   1.869  18.433  20.949
   59   HD11  ILE   9          3HD1      ILE   9   1.126  16.559  23.825
   60   HD12  ILE   9          1HD1      ILE   9   2.357  16.969  22.630
   61   HD13  ILE   9          2HD1      ILE   9   0.976  18.038  22.876
   62    H    LEU  10           H        LEU  10   1.705  14.837  18.081
   63    HA   LEU  10           HA       LEU  10   1.741  16.717  15.840
   64    HB2  LEU  10           2HB      LEU  10   3.796  15.719  17.171
   65    HB3  LEU  10           3HB      LEU  10   3.599  14.401  16.018
   66    HG   LEU  10           HG       LEU  10   3.998  15.894  14.169
   67   HD11  LEU  10          1HD1      LEU  10   4.864  18.281  15.090
   68   HD12  LEU  10          2HD1      LEU  10   3.553  17.949  16.222
   69   HD13  LEU  10          3HD1      LEU  10   3.233  17.982  14.488
   70   HD21  LEU  10          3HD2      LEU  10   6.131  16.668  16.104
   71   HD22  LEU  10          1HD2      LEU  10   6.269  16.115  14.435
   72   HD23  LEU  10          2HD2      LEU  10   5.892  14.963  15.716
   73    H    DAL  11           H        DAL  11  -0.270  14.470  16.438
   74    HA   DAL  11           HA       DAL  11  -1.557  13.059  15.217
   75    HB2  DAL  11           2HB      DAL  11  -0.506  11.184  14.464
   76    HB3  DAL  11           3HB      DAL  11   0.825  11.881  15.385
   77    H    LYS  12           H        LYS  12  -0.756  15.755  14.125
   78    HA   LYS  12           HA       LYS  12  -0.899  15.359  11.249
   79    HB2  LYS  12           2HB      LYS  12  -2.909  16.951  11.173
   80    HB3  LYS  12           3HB      LYS  12  -3.214  15.281  11.632
   81    HG2  LYS  12           2HG      LYS  12  -3.434  15.858  13.921
   82    HG3  LYS  12           3HG      LYS  12  -2.825  17.490  13.633
   83    HD2  LYS  12           2HD      LYS  12  -4.802  17.940  12.220
   84    HD3  LYS  12           3HD      LYS  12  -5.419  16.333  12.611
   85    HE2  LYS  12           2HE      LYS  12  -5.720  16.891  14.880
   86    HE3  LYS  12           3HE      LYS  12  -4.734  18.346  14.735
   87    HZ1  LYS  12           3HZ      LYS  12  -6.472  19.529  14.038
   88    HZ2  LYS  12           1HZ      LYS  12  -7.437  18.261  14.607
   89    HZ3  LYS  12           2HZ      LYS  12  -7.003  18.327  12.974
   90    HA   PRO  13           HA       PRO  13   1.451  19.070  11.200
   91    HB2  PRO  13           2HB      PRO  13   0.824  20.023   8.737
   92    HB3  PRO  13           3HB      PRO  13   1.871  18.621   8.986
   93    HG2  PRO  13           2HG      PRO  13  -1.037  18.711   8.281
   94    HG3  PRO  13           3HG      PRO  13   0.242  17.673   7.625
   95    HD2  PRO  13           2HD      PRO  13  -1.516  16.813   9.497
   96    HD3  PRO  13           3HD      PRO  13   0.157  16.223   9.415
   97    H    LEU  14           H        LEU  14   0.936  21.454   9.997
   98    HA   LEU  14           HA       LEU  14  -1.039  22.591  11.765
   99    HB2  LEU  14           2HB      LEU  14   1.312  23.480  10.557
  100    HB3  LEU  14           3HB      LEU  14   0.028  24.427   9.809
  101    HG   LEU  14           HG       LEU  14  -0.641  25.323  11.917
  102   HD11  LEU  14          1HD1      LEU  14  -0.520  23.928  13.658
  103   HD12  LEU  14          2HD1      LEU  14   1.132  24.520  13.837
  104   HD13  LEU  14          3HD1      LEU  14   0.822  23.021  12.960
  105   HD21  LEU  14          3HD2      LEU  14   1.294  26.581  12.523
  106   HD22  LEU  14          1HD2      LEU  14   1.369  26.288  10.785
  107   HD23  LEU  14          2HD2      LEU  14   2.372  25.339  11.883
  108    H    GLY  15           H        GLY  15  -1.949  24.752  10.243
  109    HA2  GLY  15           2HA      GLY  15  -4.103  23.476   8.817
  110    HA3  GLY  15           3HA      GLY  15  -3.903  25.202   9.083
  111    H    ASN  16           H        ASN  16  -1.870  22.776   7.451
  112    HA   ASN  16           HA       ASN  16  -2.205  24.275   4.949
  113    HB2  ASN  16           2HB      ASN  16   0.074  24.500   4.555
  114    HB3  ASN  16           3HB      ASN  16  -0.022  24.784   6.291
  115   HD21  ASN  16          1HD2      ASN  16   1.406  22.984   3.847
  116   HD22  ASN  16          2HD2      ASN  16   2.187  21.796   4.829
  117    H    ASN  17           H        ASN  17  -3.273  21.724   5.978
  118    HA   ASN  17           HA       ASN  17  -3.048  20.181   3.651
  119    HB2  ASN  17           2HB      ASN  17  -0.818  19.612   4.331
  120    HB3  ASN  17           3HB      ASN  17  -1.349  19.251   5.971
  121   HD21  ASN  17          1HD2      ASN  17  -0.041  17.285   5.218
  122   HD22  ASN  17          2HD2      ASN  17  -0.965  15.986   4.551
  123    H    GLY  18           H        GLY  18  -2.970  18.755   6.876
  124    HA2  GLY  18           2HA      GLY  18  -4.874  18.280   8.238
  125    HA3  GLY  18           3HA      GLY  18  -5.896  18.479   6.822
  126    H    TYR  19           H        TYR  19  -3.084  16.684   6.212
  127    HA   TYR  19           HA       TYR  19  -4.647  14.285   5.831
  128    HB2  TYR  19           2HB      TYR  19  -2.704  15.246   4.349
  129    HB3  TYR  19           3HB      TYR  19  -1.674  14.377   5.482
  130    HD1  TYR  19           HD2      TYR  19  -4.722  13.797   3.395
  131    HD2  TYR  19           HD1      TYR  19  -1.105  12.201   4.967
  132    HE1  TYR  19           HE2      TYR  19  -5.097  11.720   2.132
  133    HE2  TYR  19           HE1      TYR  19  -1.468  10.120   3.707
  134    HH   TYR  19           HH       TYR  19  -4.311   9.204   2.452
  135    H    LEU  20           H        LEU  20  -3.099  12.204   6.377
  136    HA   LEU  20           HA       LEU  20  -3.334  11.892   9.173
  137    HB2  LEU  20           2HB      LEU  20  -1.707  10.171   7.316
  138    HB3  LEU  20           3HB      LEU  20  -2.422   9.708   8.859
  139    HG   LEU  20           HG       LEU  20  -4.112  10.511   6.508
  140   HD11  LEU  20          1HD1      LEU  20  -2.759   8.702   5.703
  141   HD12  LEU  20          2HD1      LEU  20  -4.370   8.083   6.064
  142   HD13  LEU  20          3HD1      LEU  20  -3.037   7.777   7.178
  143   HD21  LEU  20          3HD2      LEU  20  -5.850   9.951   7.796
  144   HD22  LEU  20          1HD2      LEU  20  -4.718  10.053   9.144
  145   HD23  LEU  20          2HD2      LEU  20  -5.055   8.494   8.392
  146    H    CYS  21           H        CYS  21  -1.063  10.493   9.940
  147    HA   CYS  21           HA       CYS  21   0.744  12.696  10.471
  148    HB2  CYS  21           2HB      CYS  21  -0.055  10.365  11.855
  149    HB3  CYS  21           3HB      CYS  21   1.669  10.196  11.542
  150    HN2  DB2  22           H        DB2  22   3.150  11.407  10.798
  151    HA   DB2  22           HA       DB2  22   4.050   9.803   8.710
  152   HB2C  DB2  22          HB        DB2  22   5.609  11.955  10.131
  153   HG1C  DB2  22          3HG       DB2  22   4.474   9.418  11.039
  154   HG2C  DB2  22          1HG       DB2  22   5.057  10.804  11.965
  155   HG3C  DB2  22          2HG       DB2  22   6.194   9.586  11.389
  156    H    VAL  23           H        VAL  23   3.595  13.281   8.869
  157    HA   VAL  23           HA       VAL  23   4.461  13.483   6.060
  158    HB   VAL  23           HB       VAL  23   2.114  15.022   7.149
  159   HG11  VAL  23          1HG1      VAL  23   1.712  14.745   4.497
  160   HG12  VAL  23          2HG1      VAL  23   2.584  16.097   5.222
  161   HG13  VAL  23          3HG1      VAL  23   3.474  14.729   4.552
  162   HG21  VAL  23          3HG2      VAL  23   1.108  13.082   5.433
  163   HG22  VAL  23          1HG2      VAL  23   2.241  12.214   6.470
  164   HG23  VAL  23          2HG2      VAL  23   0.922  13.140   7.186
  165    HN2  DB2  24           H        DB2  24   5.414  15.400   5.437
  166    HA   DB2  24           HA       DB2  24   5.584  17.662   7.206
  167   HB2C  DB2  24          HB        DB2  24   7.433  17.323   4.901
  168   HG1C  DB2  24          3HG       DB2  24   5.696  16.541   3.677
  169   HG2C  DB2  24          1HG       DB2  24   5.277  18.253   3.591
  170   HG3C  DB2  24          2HG       DB2  24   4.483  17.209   4.769
  171    H    LYS  25           H        LYS  25   8.018  18.599   7.273
  172    HA   LYS  25           HA       LYS  25  10.326  17.416   7.475
  173    HB2  LYS  25           2HB      LYS  25   9.027  19.391   9.109
  174    HB3  LYS  25           3HB      LYS  25  10.073  18.397  10.113
  175    HG2  LYS  25           2HG      LYS  25  11.970  19.159   9.139
  176    HG3  LYS  25           3HG      LYS  25  11.205  19.378   7.563
  177    HD2  LYS  25           2HD      LYS  25  10.657  21.511   7.999
  178    HD3  LYS  25           3HD      LYS  25  10.155  21.142   9.650
  179    HE2  LYS  25           2HE      LYS  25  12.400  21.244  10.437
  180    HE3  LYS  25           3HE      LYS  25  13.038  21.308   8.795
  181    HZ1  LYS  25           3HZ      LYS  25  12.149  23.480   8.505
  182    HZ2  LYS  25           1HZ      LYS  25  12.999  23.479   9.968
  183    HZ3  LYS  25           2HZ      LYS  25  11.309  23.411   9.972
  184    H    GLU  26           H        GLU  26   7.626  16.546   9.548
  185    HA   GLU  26           HA       GLU  26   8.836  14.937  11.420
  186    HB2  GLU  26           2HB      GLU  26   6.297  14.010  10.134
  187    HB3  GLU  26           3HB      GLU  26   6.748  14.010  11.834
  188    HG2  GLU  26           2HG      GLU  26   6.636  16.542  11.709
  189    HG3  GLU  26           3HG      GLU  26   5.839  16.320  10.152
  190    H    CYS  27           H        CYS  27   7.733  13.993   8.174
  191    HA   CYS  27           HA       CYS  27   9.514  11.652   8.354
  192    HB2  CYS  27           2HB      CYS  27   6.772  11.859   7.106
  193    HB3  CYS  27           3HB      CYS  27   7.879  10.531   6.773
  194    H    MET  28           H        MET  28   8.654  14.479   6.694
  195    HA   MET  28           HA       MET  28  10.426  13.728   4.467
  196    HB2  MET  28           2HB      MET  28   8.251  15.716   4.007
  197    HB3  MET  28           3HB      MET  28   9.025  14.621   2.870
  198    HG2  MET  28           2HG      MET  28   6.998  13.884   4.968
  199    HG3  MET  28           3HG      MET  28   6.729  13.978   3.229
  200    HE1  MET  28           3HE      MET  28   6.593  10.178   4.471
  201    HE2  MET  28           1HE      MET  28   5.858  11.718   4.920
  202    HE3  MET  28           2HE      MET  28   5.808  11.173   3.243
  203    HA   PRO  29           HA       PRO  29  12.568  17.281   6.156
  204    HB2  PRO  29           2HB      PRO  29  14.754  17.026   4.565
  205    HB3  PRO  29           3HB      PRO  29  14.486  16.025   5.998
  206    HG2  PRO  29           2HG      PRO  29  13.984  15.382   3.118
  207    HG3  PRO  29           3HG      PRO  29  14.705  14.368   4.382
  208    HD2  PRO  29           2HD      PRO  29  12.125  14.108   3.600
  209    HD3  PRO  29           3HD      PRO  29  12.655  13.793   5.265
  210    H    SER  30           H        SER  30  11.436  16.706   2.972
  211    HA   SER  30           HA       SER  30  12.366  19.178   1.833
  212    HB2  SER  30           2HB      SER  30  11.679  16.914   0.657
  213    HB3  SER  30           3HB      SER  30  10.075  17.647   0.666
  214    HG   SER  30           HG       SER  30  10.886  18.421  -1.163
  215    H    CYS  31           H        CYS  31  10.783  19.289   4.320
  216    HA   CYS  31           HA       CYS  31   8.319  20.602   3.463
  217    HB2  CYS  31           2HB      CYS  31   9.118  19.137   5.778
  218    HB3  CYS  31           3HB      CYS  31   8.678  20.765   6.285
  219    H    ASN  32           H        ASN  32   8.113  22.739   3.321
  220    HA   ASN  32           HA       ASN  32  10.320  24.410   4.293
  221    HB2  ASN  32           2HB      ASN  32   8.231  24.816   2.159
  222    HB3  ASN  32           3HB      ASN  32   9.207  26.149   2.770
  223   HD21  ASN  32          1HD2      ASN  32   9.346  23.010   1.197
  224   HD22  ASN  32          2HD2      ASN  32  10.858  23.271   0.401
  Start of MODEL   16
    1    H41  2KT   1           2H4      2KT   1  -5.739   7.209  18.299
    2    H42  2KT   1           3H4      2KT   1  -4.384   7.654  17.834
    3    H43  2KT   1           1H4      2KT   1  -5.451   7.327  16.832
    4    H31  2KT   1           2H3      2KT   1  -4.663   5.550  18.615
    5    H32  2KT   1           3H3      2KT   1  -5.457   5.160  17.404
    6    H    ILE   2           H        ILE   2  -1.345   5.336  15.886
    7    HA   ILE   2           HA       ILE   2   0.143   5.951  18.218
    8    HB   ILE   2           HB       ILE   2   2.025   6.372  16.534
    9   HG12  ILE   2          2HG1      ILE   2   0.074   5.122  14.602
   10   HG13  ILE   2          3HG1      ILE   2   0.352   6.859  14.670
   11   HG21  ILE   2          1HG2      ILE   2   0.671   3.928  17.307
   12   HG22  ILE   2          2HG2      ILE   2   1.563   3.745  15.797
   13   HG23  ILE   2          3HG2      ILE   2   2.395   4.295  17.251
   14   HD11  ILE   2          3HD1      ILE   2   1.745   5.010  13.161
   15   HD12  ILE   2          1HD1      ILE   2   2.207   6.683  13.472
   16   HD13  ILE   2          2HD1      ILE   2   2.832   5.390  14.496
   17    HN2  DB2   3           H        DB2   3   1.877   7.805  17.971
   18    HA   DB2   3           HA       DB2   3   0.530  10.282  17.123
   19   HB2C  DB2   3          HB        DB2   3   3.434   9.845  17.799
   20   HG1C  DB2   3          3HG       DB2   3   2.955   8.538  15.881
   21   HG2C  DB2   3          1HG       DB2   3   3.725  10.013  15.292
   22   HG3C  DB2   3          2HG       DB2   3   1.978   9.818  15.162
   23    H    LEU   4           H        LEU   4   0.195   8.670  19.677
   24    HA   LEU   4           HA       LEU   4  -0.582  10.462  21.455
   25    HB2  LEU   4           2HB      LEU   4   0.829   7.878  21.817
   26    HB3  LEU   4           3HB      LEU   4   0.608   8.891  23.242
   27    HG   LEU   4           HG       LEU   4  -1.867   8.897  22.679
   28   HD11  LEU   4          1HD1      LEU   4  -2.596   6.910  21.341
   29   HD12  LEU   4          2HD1      LEU   4  -0.926   6.740  20.802
   30   HD13  LEU   4          3HD1      LEU   4  -1.837   8.198  20.406
   31   HD21  LEU   4          3HD2      LEU   4  -2.140   6.519  23.543
   32   HD22  LEU   4          1HD2      LEU   4  -1.182   7.623  24.530
   33   HD23  LEU   4          2HD2      LEU   4  -0.379   6.424  23.516
   34    H    DHA   5           H        DHA   5   0.175  12.079  22.573
   35    HB1  DHA   5           2HB      DHA   5   2.848  11.359  24.348
   36    HB2  DHA   5           3HB      DHA   5   3.618  13.057  24.388
   37    H1   DBU   6           H        DBU   6   3.619  13.536  21.307
   38    HB1  DBU   6           HB       DBU   6   3.603  17.566  21.240
   39    HG1  DBU   6           3HG      DBU   6   3.978  15.354  23.362
   40    HG2  DBU   6           1HG      DBU   6   3.007  16.763  23.753
   41    HG3  DBU   6           2HG      DBU   6   4.727  16.954  23.404
   42    H    CYS   7           H        CYS   7   2.065  13.844  19.443
   43    HA   CYS   7           HA       CYS   7   2.804  14.975  16.946
   44    HB2  CYS   7           2HB      CYS   7   0.769  12.857  17.663
   45    HB3  CYS   7           3HB      CYS   7   1.196  13.285  16.010
   46    H    ALA   8           H        ALA   8  -0.430  14.575  18.405
   47    HA   ALA   8           HA       ALA   8  -1.660  16.371  16.564
   48    HB1  ALA   8           1HB      ALA   8  -2.863  14.517  17.668
   49    HB2  ALA   8           2HB      ALA   8  -2.726  15.375  19.203
   50    HB3  ALA   8           3HB      ALA   8  -3.660  16.076  17.882
   51    H    ILE   9           H        ILE   9   0.476  17.034  18.909
   52    HA   ILE   9           HA       ILE   9  -0.856  19.431  19.922
   53    HB   ILE   9           HB       ILE   9   1.882  18.386  20.641
   54   HG12  ILE   9          2HG1      ILE   9  -0.383  17.015  21.131
   55   HG13  ILE   9          3HG1      ILE   9   0.988  17.027  22.235
   56   HG21  ILE   9          1HG2      ILE   9   0.069  20.420  21.927
   57   HG22  ILE   9          2HG2      ILE   9   1.542  19.790  22.662
   58   HG23  ILE   9          3HG2      ILE   9   1.632  20.715  21.164
   59   HD11  ILE   9          3HD1      ILE   9  -0.050  18.540  23.681
   60   HD12  ILE   9          1HD1      ILE   9  -1.252  19.001  22.476
   61   HD13  ILE   9          2HD1      ILE   9  -1.318  17.404  23.222
   62    H    LEU  10           H        LEU  10   2.122  18.502  18.216
   63    HA   LEU  10           HA       LEU  10   2.593  21.302  17.518
   64    HB2  LEU  10           2HB      LEU  10   4.345  19.513  18.354
   65    HB3  LEU  10           3HB      LEU  10   4.392  19.100  16.641
   66    HG   LEU  10           HG       LEU  10   6.160  20.714  17.518
   67   HD11  LEU  10          1HD1      LEU  10   5.269  20.326  15.088
   68   HD12  LEU  10          2HD1      LEU  10   6.363  21.663  15.440
   69   HD13  LEU  10          3HD1      LEU  10   4.631  21.958  15.283
   70   HD21  LEU  10          3HD2      LEU  10   5.625  22.901  18.017
   71   HD22  LEU  10          1HD2      LEU  10   4.279  22.030  18.751
   72   HD23  LEU  10          2HD2      LEU  10   4.069  22.823  17.189
   73    H    DAL  11           H        DAL  11   0.460  19.513  16.356
   74    HA   DAL  11           HA       DAL  11  -0.501  19.092  14.345
   75    HB2  DAL  11           2HB      DAL  11   2.181  18.238  14.076
   76    HB3  DAL  11           3HB      DAL  11   1.763  19.081  12.586
   77    H    LYS  12           H        LYS  12  -1.233  20.193  12.513
   78    HA   LYS  12           HA       LYS  12  -0.893  22.998  12.543
   79    HB2  LYS  12           2HB      LYS  12   0.021  23.126  10.150
   80    HB3  LYS  12           3HB      LYS  12   1.165  22.771  11.438
   81    HG2  LYS  12           2HG      LYS  12   1.247  20.475  10.851
   82    HG3  LYS  12           3HG      LYS  12  -0.124  20.642   9.752
   83    HD2  LYS  12           2HD      LYS  12   1.458  22.421   8.609
   84    HD3  LYS  12           3HD      LYS  12   2.716  21.464   9.395
   85    HE2  LYS  12           2HE      LYS  12   0.839  20.722   7.210
   86    HE3  LYS  12           3HE      LYS  12   2.557  20.372   7.388
   87    HZ1  LYS  12           3HZ      LYS  12   1.714  18.332   7.834
   88    HZ2  LYS  12           1HZ      LYS  12   0.248  18.925   8.436
   89    HZ3  LYS  12           2HZ      LYS  12   1.636  18.963   9.401
   90    HA   PRO  13           HA       PRO  13  -4.760  22.787  10.477
   91    HB2  PRO  13           2HB      PRO  13  -4.786  25.141   9.125
   92    HB3  PRO  13           3HB      PRO  13  -4.972  25.039  10.880
   93    HG2  PRO  13           2HG      PRO  13  -2.535  25.690   9.268
   94    HG3  PRO  13           3HG      PRO  13  -3.135  26.459  10.749
   95    HD2  PRO  13           2HD      PRO  13  -1.121  24.650  10.761
   96    HD3  PRO  13           3HD      PRO  13  -2.267  24.812  12.107
   97    H    LEU  14           H        LEU  14  -5.727  22.265   8.526
   98    HA   LEU  14           HA       LEU  14  -4.239  22.500   6.051
   99    HB2  LEU  14           2HB      LEU  14  -3.878  20.291   5.616
  100    HB3  LEU  14           3HB      LEU  14  -3.650  20.309   7.364
  101    HG   LEU  14           HG       LEU  14  -6.155  19.427   5.929
  102   HD11  LEU  14          1HD1      LEU  14  -5.172  17.456   5.696
  103   HD12  LEU  14          2HD1      LEU  14  -4.980  17.360   7.446
  104   HD13  LEU  14          3HD1      LEU  14  -3.703  18.068   6.458
  105   HD21  LEU  14          3HD2      LEU  14  -6.577  18.487   8.305
  106   HD22  LEU  14          1HD2      LEU  14  -6.902  20.191   7.984
  107   HD23  LEU  14          2HD2      LEU  14  -5.420  19.717   8.816
  108    H    GLY  15           H        GLY  15  -5.666  20.947   4.384
  109    HA2  GLY  15           2HA      GLY  15  -8.472  21.761   4.824
  110    HA3  GLY  15           3HA      GLY  15  -7.669  22.011   3.281
  111    H    ASN  16           H        ASN  16  -6.316  19.270   4.043
  112    HA   ASN  16           HA       ASN  16  -8.573  17.551   3.284
  113    HB2  ASN  16           2HB      ASN  16  -7.284  18.125   1.249
  114    HB3  ASN  16           3HB      ASN  16  -5.834  17.467   2.000
  115   HD21  ASN  16          1HD2      ASN  16  -6.885  16.583  -0.435
  116   HD22  ASN  16          2HD2      ASN  16  -7.403  14.946  -0.243
  117    H    ASN  17           H        ASN  17  -8.497  16.990   5.559
  118    HA   ASN  17           HA       ASN  17  -6.417  16.027   7.026
  119    HB2  ASN  17           2HB      ASN  17  -8.734  16.257   7.862
  120    HB3  ASN  17           3HB      ASN  17  -9.192  14.821   6.950
  121   HD21  ASN  17          1HD2      ASN  17  -9.560  13.281   8.376
  122   HD22  ASN  17          2HD2      ASN  17  -8.512  12.833   9.675
  123    H    GLY  18           H        GLY  18  -5.091  14.313   7.000
  124    HA2  GLY  18           2HA      GLY  18  -5.770  12.082   5.187
  125    HA3  GLY  18           3HA      GLY  18  -4.154  12.768   5.249
  126    H    TYR  19           H        TYR  19  -2.836  12.371   7.059
  127    HA   TYR  19           HA       TYR  19  -3.742  10.104   8.709
  128    HB2  TYR  19           2HB      TYR  19  -1.750   9.914   6.984
  129    HB3  TYR  19           3HB      TYR  19  -0.838  10.672   8.285
  130    HD1  TYR  19           HD2      TYR  19  -3.287   7.878   7.836
  131    HD2  TYR  19           HD1      TYR  19   0.254   9.264   9.744
  132    HE1  TYR  19           HE2      TYR  19  -3.016   5.684   8.914
  133    HE2  TYR  19           HE1      TYR  19   0.535   7.074  10.827
  134    HH   TYR  19           HH       TYR  19  -0.813   4.370   9.882
  135    H    LEU  20           H        LEU  20  -1.786  10.036  10.594
  136    HA   LEU  20           HA       LEU  20  -2.569  12.151  12.338
  137    HB2  LEU  20           2HB      LEU  20  -0.285  10.264  12.818
  138    HB3  LEU  20           3HB      LEU  20  -1.324  11.053  14.004
  139    HG   LEU  20           HG       LEU  20  -1.903   8.665  12.284
  140   HD11  LEU  20          1HD1      LEU  20  -0.882   8.421  14.545
  141   HD12  LEU  20          2HD1      LEU  20  -2.446   7.626  14.366
  142   HD13  LEU  20          3HD1      LEU  20  -2.332   9.162  15.224
  143   HD21  LEU  20          3HD2      LEU  20  -4.249   8.956  13.443
  144   HD22  LEU  20          1HD2      LEU  20  -3.894   9.721  11.894
  145   HD23  LEU  20          2HD2      LEU  20  -3.815  10.665  13.382
  146    H    CYS  21           H        CYS  21  -0.670  13.164  13.720
  147    HA   CYS  21           HA       CYS  21   0.952  14.657  11.806
  148    HB2  CYS  21           2HB      CYS  21  -0.431  15.334  14.181
  149    HB3  CYS  21           3HB      CYS  21   1.284  15.555  14.514
  150    HN2  DB2  22           H        DB2  22   3.016  15.502  13.408
  151    HA   DB2  22           HA       DB2  22   4.392  13.412  14.736
  152   HB2C  DB2  22          HB        DB2  22   5.523  15.895  13.456
  153   HG1C  DB2  22          3HG       DB2  22   5.093  17.048  15.484
  154   HG2C  DB2  22          1HG       DB2  22   4.684  15.553  16.329
  155   HG3C  DB2  22          2HG       DB2  22   3.608  16.186  15.085
  156    H    VAL  23           H        VAL  23   4.317  14.522  11.410
  157    HA   VAL  23           HA       VAL  23   6.227  12.398  10.693
  158    HB   VAL  23           HB       VAL  23   3.826  13.056   9.002
  159   HG11  VAL  23          1HG1      VAL  23   4.377  10.578   8.348
  160   HG12  VAL  23          2HG1      VAL  23   5.304  11.914   7.663
  161   HG13  VAL  23          3HG1      VAL  23   5.964  10.978   9.004
  162   HG21  VAL  23          3HG2      VAL  23   4.063  10.977  11.171
  163   HG22  VAL  23          1HG2      VAL  23   2.906  12.304  11.078
  164   HG23  VAL  23          2HG2      VAL  23   2.811  10.969   9.930
  165    HN2  DB2  24           H        DB2  24   7.548  12.784   8.937
  166    HA   DB2  24           HA       DB2  24   7.259  15.131   7.301
  167   HB2C  DB2  24          HB        DB2  24   9.816  13.617   7.442
  168   HG1C  DB2  24          3HG       DB2  24   8.605  11.698   7.498
  169   HG2C  DB2  24          1HG       DB2  24   8.483  12.008   5.764
  170   HG3C  DB2  24          2HG       DB2  24   7.159  12.460   6.836
  171    H    LYS  25           H        LYS  25   9.558  16.322   6.978
  172    HA   LYS  25           HA       LYS  25  11.459  16.908   8.653
  173    HB2  LYS  25           2HB      LYS  25   9.840  18.545   6.931
  174    HB3  LYS  25           3HB      LYS  25  10.301  19.467   8.356
  175    HG2  LYS  25           2HG      LYS  25  12.482  19.527   7.781
  176    HG3  LYS  25           3HG      LYS  25  12.449  17.919   7.054
  177    HD2  LYS  25           2HD      LYS  25  12.499  18.974   5.084
  178    HD3  LYS  25           3HD      LYS  25  10.813  19.394   5.397
  179    HE2  LYS  25           2HE      LYS  25  11.314  21.545   5.978
  180    HE3  LYS  25           3HE      LYS  25  12.918  21.125   6.579
  181    HZ1  LYS  25           3HZ      LYS  25  12.564  20.739   3.740
  182    HZ2  LYS  25           1HZ      LYS  25  13.837  21.466   4.584
  183    HZ3  LYS  25           2HZ      LYS  25  12.437  22.350   4.239
  184    H    GLU  26           H        GLU  26   8.086  17.541   9.408
  185    HA   GLU  26           HA       GLU  26   8.288  19.086  11.674
  186    HB2  GLU  26           2HB      GLU  26   6.366  16.791  11.646
  187    HB3  GLU  26           3HB      GLU  26   6.117  18.444  12.189
  188    HG2  GLU  26           2HG      GLU  26   6.339  19.117   9.751
  189    HG3  GLU  26           3HG      GLU  26   6.190  17.401   9.379
  190    H    CYS  27           H        CYS  27   8.441  15.538  11.475
  191    HA   CYS  27           HA       CYS  27   9.734  15.541  14.124
  192    HB2  CYS  27           2HB      CYS  27   7.745  13.584  12.973
  193    HB3  CYS  27           3HB      CYS  27   8.750  13.209  14.369
  194    H    MET  28           H        MET  28   9.921  14.698  10.842
  195    HA   MET  28           HA       MET  28  12.346  13.116  11.375
  196    HB2  MET  28           2HB      MET  28  10.114  11.998  10.357
  197    HB3  MET  28           3HB      MET  28  10.865  12.561   8.870
  198    HG2  MET  28           2HG      MET  28  12.622  11.120   9.042
  199    HG3  MET  28           3HG      MET  28  12.541  11.057  10.801
  200    HE1  MET  28           3HE      MET  28  10.891   9.097   7.452
  201    HE2  MET  28           1HE      MET  28  12.561   9.337   7.967
  202    HE3  MET  28           2HE      MET  28  11.751   7.803   8.289
  203    HA   PRO  29           HA       PRO  29  13.999  16.494   8.941
  204    HB2  PRO  29           2HB      PRO  29  16.597  15.776   9.261
  205    HB3  PRO  29           3HB      PRO  29  15.673  16.621  10.509
  206    HG2  PRO  29           2HG      PRO  29  16.301  13.704  10.266
  207    HG3  PRO  29           3HG      PRO  29  16.343  14.741  11.704
  208    HD2  PRO  29           2HD      PRO  29  14.280  13.069  11.174
  209    HD3  PRO  29           3HD      PRO  29  14.062  14.617  12.014
  210    H    SER  30           H        SER  30  14.191  13.110   8.419
  211    HA   SER  30           HA       SER  30  15.750  13.234   6.005
  212    HB2  SER  30           2HB      SER  30  15.479  11.231   7.634
  213    HB3  SER  30           3HB      SER  30  13.978  10.924   6.761
  214    HG   SER  30           HG       SER  30  15.094  10.473   4.961
  215    H    CYS  31           H        CYS  31  13.322  14.894   6.183
  216    HA   CYS  31           HA       CYS  31  11.551  13.684   4.202
  217    HB2  CYS  31           2HB      CYS  31  11.207  15.542   6.333
  218    HB3  CYS  31           3HB      CYS  31  10.789  16.362   4.832
  219    H    ASN  32           H        ASN  32  12.790  13.735   2.333
  220    HA   ASN  32           HA       ASN  32  13.783  16.325   1.409
  221    HB2  ASN  32           2HB      ASN  32  14.953  15.074  -0.317
  222    HB3  ASN  32           3HB      ASN  32  15.272  14.348   1.256
  223   HD21  ASN  32          1HD2      ASN  32  13.551  14.014  -1.759
  224   HD22  ASN  32          2HD2      ASN  32  13.233  12.322  -1.616
  Start of MODEL   17
    1    H41  2KT   1           2H4      2KT   1  -3.797   3.941  16.439
    2    H42  2KT   1           3H4      2KT   1  -2.883   3.288  15.446
    3    H43  2KT   1           1H4      2KT   1  -4.244   2.712  15.704
    4    H31  2KT   1           2H3      2KT   1  -3.716   2.410  17.809
    5    H32  2KT   1           3H3      2KT   1  -3.176   1.350  16.895
    6    H    ILE   2           H        ILE   2   0.415   3.392  18.346
    7    HA   ILE   2           HA       ILE   2  -0.499   5.168  20.272
    8    HB   ILE   2           HB       ILE   2   1.665   6.118  20.324
    9   HG12  ILE   2          2HG1      ILE   2   1.785   6.693  17.913
   10   HG13  ILE   2          3HG1      ILE   2   3.274   5.967  18.509
   11   HG21  ILE   2          1HG2      ILE   2   2.955   3.781  19.516
   12   HG22  ILE   2          2HG2      ILE   2   2.360   4.168  21.129
   13   HG23  ILE   2          3HG2      ILE   2   1.338   3.274  20.003
   14   HD11  ILE   2          3HD1      ILE   2   2.809   5.048  16.371
   15   HD12  ILE   2          1HD1      ILE   2   2.492   3.794  17.570
   16   HD13  ILE   2          2HD1      ILE   2   1.150   4.667  16.830
   17    HN2  DB2   3           H        DB2   3  -0.009   7.614  20.139
   18    HA   DB2   3           HA       DB2   3  -1.003   8.708  17.591
   19   HB2C  DB2   3          HB        DB2   3   0.495  10.023  19.850
   20   HG1C  DB2   3          3HG       DB2   3   1.897  10.301  17.452
   21   HG2C  DB2   3          1HG       DB2   3   1.271   8.651  17.429
   22   HG3C  DB2   3          2HG       DB2   3   2.265   9.198  18.778
   23    H    LEU   4           H        LEU   4  -2.032   7.862  20.628
   24    HA   LEU   4           HA       LEU   4  -4.455   9.432  20.305
   25    HB2  LEU   4           2HB      LEU   4  -3.674   7.130  22.064
   26    HB3  LEU   4           3HB      LEU   4  -5.169   8.026  22.325
   27    HG   LEU   4           HG       LEU   4  -5.557   7.433  19.778
   28   HD11  LEU   4          1HD1      LEU   4  -4.165   5.961  18.884
   29   HD12  LEU   4          2HD1      LEU   4  -4.488   4.824  20.192
   30   HD13  LEU   4          3HD1      LEU   4  -3.190   6.007  20.353
   31   HD21  LEU   4          3HD2      LEU   4  -6.955   6.798  21.730
   32   HD22  LEU   4          1HD2      LEU   4  -5.928   5.382  21.957
   33   HD23  LEU   4          2HD2      LEU   4  -6.878   5.554  20.481
   34    H    DHA   5           H        DHA   5  -4.969  11.115  21.462
   35    HB1  DHA   5           2HB      DHA   5  -4.331  10.639  24.713
   36    HB2  DHA   5           3HB      DHA   5  -4.128  12.431  25.189
   37    H1   DBU   6           H        DBU   6  -2.031  13.150  22.954
   38    HB1  DBU   6           HB       DBU   6  -2.639  17.117  22.712
   39    HG1  DBU   6           3HG      DBU   6  -3.436  14.816  24.613
   40    HG2  DBU   6           1HG      DBU   6  -4.612  16.058  24.217
   41    HG3  DBU   6           2HG      DBU   6  -3.144  16.489  25.099
   42    H    CYS   7           H        CYS   7  -1.370  13.341  20.811
   43    HA   CYS   7           HA       CYS   7   0.071  15.213  19.146
   44    HB2  CYS   7           2HB      CYS   7   1.308  13.407  18.405
   45    HB3  CYS   7           3HB      CYS   7   0.816  12.843  19.999
   46    H    ALA   8           H        ALA   8  -2.537  12.848  18.737
   47    HA   ALA   8           HA       ALA   8  -2.889  13.395  15.952
   48    HB1  ALA   8           1HB      ALA   8  -3.492  11.237  16.984
   49    HB2  ALA   8           2HB      ALA   8  -4.793  12.044  17.860
   50    HB3  ALA   8           3HB      ALA   8  -4.831  11.968  16.099
   51    H    ILE   9           H        ILE   9  -3.556  15.210  18.629
   52    HA   ILE   9           HA       ILE   9  -6.026  16.368  17.575
   53    HB   ILE   9           HB       ILE   9  -4.552  16.945  20.148
   54   HG12  ILE   9          2HG1      ILE   9  -6.837  15.153  19.415
   55   HG13  ILE   9          3HG1      ILE   9  -5.467  14.835  20.473
   56   HG21  ILE   9          1HG2      ILE   9  -5.984  18.613  20.595
   57   HG22  ILE   9          2HG2      ILE   9  -6.232  18.642  18.850
   58   HG23  ILE   9          3HG2      ILE   9  -7.354  17.759  19.885
   59   HD11  ILE   9          3HD1      ILE   9  -7.111  15.028  22.021
   60   HD12  ILE   9          1HD1      ILE   9  -6.615  16.718  21.924
   61   HD13  ILE   9          2HD1      ILE   9  -8.046  16.168  21.052
   62    H    LEU  10           H        LEU  10  -2.748  17.368  18.522
   63    HA   LEU  10           HA       LEU  10  -3.144  19.931  17.169
   64    HB2  LEU  10           2HB      LEU  10  -2.014  19.463  19.520
   65    HB3  LEU  10           3HB      LEU  10  -0.589  19.222  18.512
   66    HG   LEU  10           HG       LEU  10  -2.161  21.719  18.134
   67   HD11  LEU  10          1HD1      LEU  10  -2.016  22.288  20.282
   68   HD12  LEU  10          2HD1      LEU  10  -0.276  22.408  20.024
   69   HD13  LEU  10          3HD1      LEU  10  -0.971  20.917  20.659
   70   HD21  LEU  10          3HD2      LEU  10   0.433  22.403  18.154
   71   HD22  LEU  10          1HD2      LEU  10  -0.402  21.808  16.719
   72   HD23  LEU  10          2HD2      LEU  10   0.577  20.707  17.688
   73    H    DAL  11           H        DAL  11  -2.713  17.210  15.880
   74    HA   DAL  11           HA       DAL  11  -1.617  16.334  14.098
   75    HB2  DAL  11           2HB      DAL  11   0.334  16.605  15.733
   76    HB3  DAL  11           3HB      DAL  11   0.760  18.043  14.807
   77    H    LYS  12           H        LYS  12  -3.313  18.194  13.367
   78    HA   LYS  12           HA       LYS  12  -3.789  19.320  11.406
   79    HB2  LYS  12           2HB      LYS  12  -2.738  21.658  11.509
   80    HB3  LYS  12           3HB      LYS  12  -3.738  21.157  12.867
   81    HG2  LYS  12           2HG      LYS  12  -1.841  20.754  14.229
   82    HG3  LYS  12           3HG      LYS  12  -0.742  20.913  12.857
   83    HD2  LYS  12           2HD      LYS  12  -0.706  22.919  14.249
   84    HD3  LYS  12           3HD      LYS  12  -1.350  23.274  12.644
   85    HE2  LYS  12           2HE      LYS  12  -3.231  22.562  14.848
   86    HE3  LYS  12           3HE      LYS  12  -2.537  24.182  14.800
   87    HZ1  LYS  12           3HZ      LYS  12  -4.717  23.262  13.382
   88    HZ2  LYS  12           1HZ      LYS  12  -3.482  23.427  12.238
   89    HZ3  LYS  12           2HZ      LYS  12  -3.932  24.748  13.193
   90    HA   PRO  13           HA       PRO  13   0.363  18.228   9.405
   91    HB2  PRO  13           2HB      PRO  13  -0.464  15.985   8.117
   92    HB3  PRO  13           3HB      PRO  13   0.213  15.961   9.750
   93    HG2  PRO  13           2HG      PRO  13  -2.652  15.887   8.885
   94    HG3  PRO  13           3HG      PRO  13  -1.839  14.941  10.146
   95    HD2  PRO  13           2HD      PRO  13  -3.360  17.111  10.704
   96    HD3  PRO  13           3HD      PRO  13  -1.947  16.659  11.679
   97    H    LEU  14           H        LEU  14   0.732  18.001   7.031
   98    HA   LEU  14           HA       LEU  14  -1.384  19.410   5.550
   99    HB2  LEU  14           2HB      LEU  14   0.258  20.417   4.232
  100    HB3  LEU  14           3HB      LEU  14   0.907  20.465   5.870
  101    HG   LEU  14           HG       LEU  14   1.696  18.402   3.818
  102   HD11  LEU  14          1HD1      LEU  14   2.292  21.104   3.722
  103   HD12  LEU  14          2HD1      LEU  14   3.167  19.803   2.914
  104   HD13  LEU  14          3HD1      LEU  14   3.702  20.377   4.493
  105   HD21  LEU  14          3HD2      LEU  14   2.249  17.512   5.873
  106   HD22  LEU  14          1HD2      LEU  14   2.569  19.091   6.591
  107   HD23  LEU  14          2HD2      LEU  14   3.721  18.390   5.454
  108    H    GLY  15           H        GLY  15  -0.478  18.987   2.971
  109    HA2  GLY  15           2HA      GLY  15  -1.695  16.593   2.263
  110    HA3  GLY  15           3HA      GLY  15  -0.591  17.492   1.233
  111    H    ASN  16           H        ASN  16  -0.825  14.973   3.674
  112    HA   ASN  16           HA       ASN  16   1.568  13.735   2.546
  113    HB2  ASN  16           2HB      ASN  16   2.218  15.103   4.571
  114    HB3  ASN  16           3HB      ASN  16   1.216  14.021   5.533
  115   HD21  ASN  16          1HD2      ASN  16   3.878  14.314   6.065
  116   HD22  ASN  16          2HD2      ASN  16   4.716  12.856   5.666
  117    H    ASN  17           H        ASN  17  -1.000  12.951   2.042
  118    HA   ASN  17           HA       ASN  17  -2.289  11.077   1.969
  119    HB2  ASN  17           2HB      ASN  17  -0.692   9.478   1.765
  120    HB3  ASN  17           3HB      ASN  17   0.254  10.108   3.110
  121   HD21  ASN  17          1HD2      ASN  17  -1.506   7.551   2.083
  122   HD22  ASN  17          2HD2      ASN  17  -1.945   6.864   3.606
  123    H    GLY  18           H        GLY  18  -1.642  12.798   4.697
  124    HA2  GLY  18           2HA      GLY  18  -3.020  13.213   6.513
  125    HA3  GLY  18           3HA      GLY  18  -4.067  11.910   5.973
  126    H    TYR  19           H        TYR  19  -0.805  11.011   6.202
  127    HA   TYR  19           HA       TYR  19  -1.256   9.031   8.118
  128    HB2  TYR  19           2HB      TYR  19   0.711   9.409   6.402
  129    HB3  TYR  19           3HB      TYR  19   1.482  10.186   7.780
  130    HD1  TYR  19           HD1      TYR  19  -0.238   7.013   6.831
  131    HD2  TYR  19           HD2      TYR  19   2.687   8.893   9.283
  132    HE1  TYR  19           HE1      TYR  19   0.466   4.811   7.669
  133    HE2  TYR  19           HE2      TYR  19   3.400   6.696  10.127
  134    HH   TYR  19           HH       TYR  19   3.278   4.443   9.731
  135    H    LEU  20           H        LEU  20   0.545   9.030  10.062
  136    HA   LEU  20           HA       LEU  20  -0.560  10.641  12.060
  137    HB2  LEU  20           2HB      LEU  20   2.076   9.190  11.941
  138    HB3  LEU  20           3HB      LEU  20   1.448   9.960  13.396
  139    HG   LEU  20           HG       LEU  20   0.016   7.746  11.936
  140   HD11  LEU  20          1HD1      LEU  20   1.376   6.253  12.845
  141   HD12  LEU  20          2HD1      LEU  20   1.095   6.934  14.448
  142   HD13  LEU  20          3HD1      LEU  20   2.397   7.564  13.438
  143   HD21  LEU  20          3HD2      LEU  20  -1.285   7.571  13.950
  144   HD22  LEU  20          1HD2      LEU  20  -1.334   9.240  13.384
  145   HD23  LEU  20          2HD2      LEU  20  -0.300   8.801  14.743
  146    H    CYS  21           H        CYS  21   1.279  11.858  13.539
  147    HA   CYS  21           HA       CYS  21   2.033  14.141  11.884
  148    HB2  CYS  21           2HB      CYS  21   1.000  13.853  14.499
  149    HB3  CYS  21           3HB      CYS  21   2.625  14.510  14.672
  150    HN2  DB2  22           H        DB2  22   4.054  15.221  13.436
  151    HA   DB2  22           HA       DB2  22   6.178  13.402  13.937
  152   HB2C  DB2  22          HB        DB2  22   6.329  16.360  13.376
  153   HG1C  DB2  22          3HG       DB2  22   5.514  16.790  15.426
  154   HG2C  DB2  22          1HG       DB2  22   6.408  15.460  16.165
  155   HG3C  DB2  22          2HG       DB2  22   4.878  15.147  15.348
  156    H    VAL  23           H        VAL  23   5.190  15.292  11.148
  157    HA   VAL  23           HA       VAL  23   7.430  14.140   9.622
  158    HB   VAL  23           HB       VAL  23   4.674  14.466   8.457
  159   HG11  VAL  23          1HG1      VAL  23   5.924  12.428   7.149
  160   HG12  VAL  23          2HG1      VAL  23   5.909  14.111   6.617
  161   HG13  VAL  23          3HG1      VAL  23   7.278  13.488   7.539
  162   HG21  VAL  23          3HG2      VAL  23   4.792  11.829   8.740
  163   HG22  VAL  23          1HG2      VAL  23   5.757  12.279  10.145
  164   HG23  VAL  23          2HG2      VAL  23   4.104  12.873   9.984
  165    HN2  DB2  24           H        DB2  24   8.262  15.381   7.966
  166    HA   DB2  24           HA       DB2  24   7.069  17.879   7.187
  167   HB2C  DB2  24          HB        DB2  24   9.916  17.243   6.604
  168   HG1C  DB2  24          3HG       DB2  24   8.827  15.810   4.645
  169   HG2C  DB2  24          1HG       DB2  24   7.575  15.570   5.867
  170   HG3C  DB2  24          2HG       DB2  24   9.240  15.102   6.207
  171    H    LYS  25           H        LYS  25   8.875  19.757   7.042
  172    HA   LYS  25           HA       LYS  25  10.825  20.415   8.634
  173    HB2  LYS  25           2HB      LYS  25   8.557  21.883   7.660
  174    HB3  LYS  25           3HB      LYS  25   8.986  22.472   9.261
  175    HG2  LYS  25           2HG      LYS  25  10.862  22.248   6.915
  176    HG3  LYS  25           3HG      LYS  25  10.105  23.733   7.497
  177    HD2  LYS  25           2HD      LYS  25  11.944  21.985   9.131
  178    HD3  LYS  25           3HD      LYS  25  12.444  23.446   8.275
  179    HE2  LYS  25           2HE      LYS  25  11.986  24.481  10.212
  180    HE3  LYS  25           3HE      LYS  25  10.306  24.350   9.696
  181    HZ1  LYS  25           3HZ      LYS  25  11.056  23.497  12.030
  182    HZ2  LYS  25           1HZ      LYS  25  11.501  22.112  11.166
  183    HZ3  LYS  25           2HZ      LYS  25   9.896  22.647  11.138
  184    H    GLU  26           H        GLU  26   7.598  19.754   9.857
  185    HA   GLU  26           HA       GLU  26   7.786  20.605  12.463
  186    HB2  GLU  26           2HB      GLU  26   6.574  17.928  11.896
  187    HB3  GLU  26           3HB      GLU  26   5.994  19.211  12.949
  188    HG2  GLU  26           2HG      GLU  26   5.585  20.554  10.834
  189    HG3  GLU  26           3HG      GLU  26   5.838  19.045   9.959
  190    H    CYS  27           H        CYS  27   8.840  17.472  11.152
  191    HA   CYS  27           HA       CYS  27  10.549  17.159  13.532
  192    HB2  CYS  27           2HB      CYS  27   8.978  15.061  12.032
  193    HB3  CYS  27           3HB      CYS  27  10.270  14.666  13.160
  194    H    MET  28           H        MET  28  10.345  17.335  10.153
  195    HA   MET  28           HA       MET  28  13.149  16.470   9.923
  196    HB2  MET  28           2HB      MET  28  11.107  15.078   8.815
  197    HB3  MET  28           3HB      MET  28  11.458  16.207   7.513
  198    HG2  MET  28           2HG      MET  28  13.570  15.362   7.164
  199    HG3  MET  28           3HG      MET  28  13.685  14.693   8.790
  200    HE1  MET  28           3HE      MET  28  12.836  12.887   4.990
  201    HE2  MET  28           1HE      MET  28  11.240  13.560   5.326
  202    HE3  MET  28           2HE      MET  28  12.664  14.601   5.373
  203    HA   PRO  29           HA       PRO  29  13.402  20.721   8.530
  204    HB2  PRO  29           2HB      PRO  29  16.111  20.761   8.367
  205    HB3  PRO  29           3HB      PRO  29  15.239  20.914   9.897
  206    HG2  PRO  29           2HG      PRO  29  16.549  18.505   8.696
  207    HG3  PRO  29           3HG      PRO  29  16.577  19.073  10.376
  208    HD2  PRO  29           2HD      PRO  29  14.959  17.067   9.543
  209    HD3  PRO  29           3HD      PRO  29  14.501  18.187  10.842
  210    H    SER  30           H        SER  30  14.364  17.829   6.959
  211    HA   SER  30           HA       SER  30  15.386  19.067   4.573
  212    HB2  SER  30           2HB      SER  30  15.994  16.743   5.451
  213    HB3  SER  30           3HB      SER  30  14.433  16.214   4.825
  214    HG   SER  30           HG       SER  30  16.621  16.321   3.482
  215    H    CYS  31           H        CYS  31  12.673  19.795   5.503
  216    HA   CYS  31           HA       CYS  31  10.954  18.723   3.403
  217    HB2  CYS  31           2HB      CYS  31  10.530  19.732   6.036
  218    HB3  CYS  31           3HB      CYS  31   9.648  20.761   4.912
  219    H    ASN  32           H        ASN  32  10.330  19.825   1.634
  220    HA   ASN  32           HA       ASN  32  11.570  22.431   1.178
  221    HB2  ASN  32           2HB      ASN  32  10.678  21.982  -1.210
  222    HB3  ASN  32           3HB      ASN  32  12.025  21.010  -0.625
  223   HD21  ASN  32          1HD2      ASN  32   9.074  20.926  -2.109
  224   HD22  ASN  32          2HD2      ASN  32   8.685  19.260  -1.862
  Start of MODEL   18
    1    H41  2KT   1           2H4      2KT   1  -1.253   6.208  15.122
    2    H42  2KT   1           3H4      2KT   1  -2.508   5.492  15.524
    3    H43  2KT   1           1H4      2KT   1  -1.787   6.357  16.515
    4    H31  2KT   1           2H3      2KT   1  -1.270   4.536  17.160
    5    H32  2KT   1           3H3      2KT   1  -1.336   3.815  15.846
    6    H    ILE   2           H        ILE   2   2.813   5.210  16.054
    7    HA   ILE   2           HA       ILE   2   3.019   6.609  18.442
    8    HB   ILE   2           HB       ILE   2   5.139   7.375  17.729
    9   HG12  ILE   2          2HG1      ILE   2   4.353   8.417  15.611
   10   HG13  ILE   2          3HG1      ILE   2   5.848   7.509  15.416
   11   HG21  ILE   2          1HG2      ILE   2   5.803   5.258  17.844
   12   HG22  ILE   2          2HG2      ILE   2   4.292   4.689  17.136
   13   HG23  ILE   2          3HG2      ILE   2   5.630   5.168  16.091
   14   HD11  ILE   2          3HD1      ILE   2   3.139   6.965  14.350
   15   HD12  ILE   2          1HD1      ILE   2   4.718   6.792  13.584
   16   HD13  ILE   2          2HD1      ILE   2   4.165   5.587  14.748
   17    HN2  DB2   3           H        DB2   3   3.688   8.971  18.588
   18    HA   DB2   3           HA       DB2   3   2.033  10.659  16.833
   19   HB2C  DB2   3          HB        DB2   3   4.242  11.479  18.711
   20   HG1C  DB2   3          3HG       DB2   3   4.255  10.866  15.761
   21   HG2C  DB2   3          1HG       DB2   3   5.226  10.135  17.042
   22   HG3C  DB2   3          2HG       DB2   3   5.528  11.799  16.548
   23    H    LEU   4           H        LEU   4   1.237   9.017  19.261
   24    HA   LEU   4           HA       LEU   4  -0.877  10.283  20.212
   25    HB2  LEU   4           2HB      LEU   4   1.112   8.579  21.632
   26    HB3  LEU   4           3HB      LEU   4  -0.186   9.324  22.564
   27    HG   LEU   4           HG       LEU   4  -1.809   8.210  20.997
   28   HD11  LEU   4          1HD1      LEU   4  -0.882   6.199  19.811
   29   HD12  LEU   4          2HD1      LEU   4   0.725   6.875  20.075
   30   HD13  LEU   4          3HD1      LEU   4  -0.454   7.757  19.104
   31   HD21  LEU   4          3HD2      LEU   4  -1.490   5.957  22.035
   32   HD22  LEU   4          1HD2      LEU   4  -1.484   7.300  23.178
   33   HD23  LEU   4          2HD2      LEU   4   0.035   6.543  22.700
   34    H    DHA   5           H        DHA   5  -1.390  12.050  21.236
   35    HB1  DHA   5           2HB      DHA   5   0.246  12.503  24.053
   36    HB2  DHA   5           3HB      DHA   5   0.195  14.366  24.104
   37    H1   DBU   6           H        DBU   6   1.395  14.850  21.270
   38    HB1  DBU   6           HB       DBU   6  -0.113  18.500  20.493
   39    HG1  DBU   6           3HG      DBU   6  -0.370  18.522  22.909
   40    HG2  DBU   6           1HG      DBU   6   0.466  16.982  23.024
   41    HG3  DBU   6           2HG      DBU   6  -1.261  17.017  22.661
   42    H    CYS   7           H        CYS   7   0.906  14.498  18.924
   43    HA   CYS   7           HA       CYS   7   2.116  15.872  16.763
   44    HB2  CYS   7           2HB      CYS   7   0.992  13.072  16.963
   45    HB3  CYS   7           3HB      CYS   7   1.904  13.670  15.581
   46    H    ALA   8           H        ALA   8  -0.959  14.058  16.830
   47    HA   ALA   8           HA       ALA   8  -1.871  15.174  14.378
   48    HB1  ALA   8           1HB      ALA   8  -3.519  13.814  16.504
   49    HB2  ALA   8           2HB      ALA   8  -3.926  14.008  14.798
   50    HB3  ALA   8           3HB      ALA   8  -2.584  12.967  15.272
   51    H    ILE   9           H        ILE   9  -1.443  16.659  17.237
   52    HA   ILE   9           HA       ILE   9  -3.898  18.244  17.163
   53    HB   ILE   9           HB       ILE   9  -1.606  18.346  19.128
   54   HG12  ILE   9          2HG1      ILE   9  -4.225  16.879  19.095
   55   HG13  ILE   9          3HG1      ILE   9  -2.625  16.281  19.522
   56   HG21  ILE   9          1HG2      ILE   9  -4.297  19.451  19.721
   57   HG22  ILE   9          2HG2      ILE   9  -2.711  19.960  20.298
   58   HG23  ILE   9          3HG2      ILE   9  -3.232  20.381  18.667
   59   HD11  ILE   9          3HD1      ILE   9  -3.761  16.394  21.544
   60   HD12  ILE   9          1HD1      ILE   9  -2.780  17.859  21.526
   61   HD13  ILE   9          2HD1      ILE   9  -4.501  17.945  21.151
   62    H    LEU  10           H        LEU  10  -0.376  18.687  17.012
   63    HA   LEU  10           HA       LEU  10  -0.760  21.437  16.098
   64    HB2  LEU  10           2HB      LEU  10   1.076  20.311  17.785
   65    HB3  LEU  10           3HB      LEU  10   1.976  20.413  16.273
   66    HG   LEU  10           HG       LEU  10   1.381  22.862  16.214
   67   HD11  LEU  10          1HD1      LEU  10   0.702  22.473  19.116
   68   HD12  LEU  10          2HD1      LEU  10  -0.521  22.586  17.851
   69   HD13  LEU  10          3HD1      LEU  10   0.566  23.942  18.148
   70   HD21  LEU  10          3HD2      LEU  10   3.579  21.995  16.929
   71   HD22  LEU  10          1HD2      LEU  10   2.992  21.941  18.591
   72   HD23  LEU  10          2HD2      LEU  10   3.131  23.488  17.755
   73    H    DAL  11           H        DAL  11  -1.326  18.976  14.480
   74    HA   DAL  11           HA       DAL  11  -1.070  18.233  12.352
   75    HB2  DAL  11           2HB      DAL  11   1.586  18.600  13.338
   76    HB3  DAL  11           3HB      DAL  11   1.544  19.079  11.642
   77    H    LYS  12           H        LYS  12  -2.579  19.873  11.707
   78    HA   LYS  12           HA       LYS  12  -1.900  22.466  10.912
   79    HB2  LYS  12           2HB      LYS  12  -2.043  22.042   8.386
   80    HB3  LYS  12           3HB      LYS  12  -0.524  21.664   9.188
   81    HG2  LYS  12           2HG      LYS  12  -0.973  19.337   9.133
   82    HG3  LYS  12           3HG      LYS  12  -2.644  19.607   8.632
   83    HD2  LYS  12           2HD      LYS  12  -1.042  18.879   6.815
   84    HD3  LYS  12           3HD      LYS  12  -1.979  20.337   6.481
   85    HE2  LYS  12           2HE      LYS  12   0.722  20.572   7.731
   86    HE3  LYS  12           3HE      LYS  12   0.592  20.270   5.999
   87    HZ1  LYS  12           3HZ      LYS  12   0.488  22.497   5.907
   88    HZ2  LYS  12           1HZ      LYS  12  -0.024  22.664   7.511
   89    HZ3  LYS  12           2HZ      LYS  12  -1.141  22.273   6.304
   90    HA   PRO  13           HA       PRO  13  -6.298  22.578  10.766
   91    HB2  PRO  13           2HB      PRO  13  -6.629  24.970   9.526
   92    HB3  PRO  13           3HB      PRO  13  -6.107  24.824  11.208
   93    HG2  PRO  13           2HG      PRO  13  -4.466  25.302   8.750
   94    HG3  PRO  13           3HG      PRO  13  -4.344  26.071  10.343
   95    HD2  PRO  13           2HD      PRO  13  -2.684  24.083   9.555
   96    HD3  PRO  13           3HD      PRO  13  -3.174  24.303  11.247
   97    H    LEU  14           H        LEU  14  -8.109  22.740   9.244
   98    HA   LEU  14           HA       LEU  14  -9.128  21.814   7.410
   99    HB2  LEU  14           2HB      LEU  14  -8.685  23.030   5.358
  100    HB3  LEU  14           3HB      LEU  14  -8.756  24.126   6.736
  101    HG   LEU  14           HG       LEU  14  -6.239  24.119   6.736
  102   HD11  LEU  14          1HD1      LEU  14  -6.750  22.523   4.254
  103   HD12  LEU  14          2HD1      LEU  14  -5.610  22.215   5.563
  104   HD13  LEU  14          3HD1      LEU  14  -5.303  23.519   4.416
  105   HD21  LEU  14          3HD2      LEU  14  -7.259  26.042   5.878
  106   HD22  LEU  14          1HD2      LEU  14  -7.850  25.200   4.445
  107   HD23  LEU  14          2HD2      LEU  14  -6.129  25.547   4.616
  108    H    GLY  15           H        GLY  15  -8.307  21.273   4.839
  109    HA2  GLY  15           2HA      GLY  15  -6.677  20.028   3.604
  110    HA3  GLY  15           3HA      GLY  15  -6.022  19.444   5.126
  111    H    ASN  16           H        ASN  16  -6.150  17.341   4.031
  112    HA   ASN  16           HA       ASN  16  -8.850  16.246   3.793
  113    HB2  ASN  16           2HB      ASN  16  -7.222  15.833   1.969
  114    HB3  ASN  16           3HB      ASN  16  -6.191  14.973   3.109
  115   HD21  ASN  16          1HD2      ASN  16  -7.993  14.350   0.642
  116   HD22  ASN  16          2HD2      ASN  16  -8.772  12.882   1.115
  117    H    ASN  17           H        ASN  17  -9.697  15.522   5.634
  118    HA   ASN  17           HA       ASN  17  -9.911  14.556   7.689
  119    HB2  ASN  17           2HB      ASN  17  -9.831  12.448   6.790
  120    HB3  ASN  17           3HB      ASN  17  -8.239  12.695   6.079
  121   HD21  ASN  17          1HD2      ASN  17  -9.050  13.344   9.418
  122   HD22  ASN  17          2HD2      ASN  17  -8.077  12.088  10.098
  123    H    GLY  18           H        GLY  18  -6.564  13.509   7.343
  124    HA2  GLY  18           2HA      GLY  18  -4.804  15.038   8.311
  125    HA3  GLY  18           3HA      GLY  18  -5.898  15.192   9.678
  126    H    TYR  19           H        TYR  19  -3.721  13.053   7.964
  127    HA   TYR  19           HA       TYR  19  -4.047  10.788   9.621
  128    HB2  TYR  19           2HB      TYR  19  -2.822  11.118   7.298
  129    HB3  TYR  19           3HB      TYR  19  -1.416  11.362   8.328
  130    HD1  TYR  19           HD2      TYR  19  -4.314   8.991   8.316
  131    HD2  TYR  19           HD1      TYR  19  -0.092   9.489   8.482
  132    HE1  TYR  19           HE2      TYR  19  -4.040   6.555   8.510
  133    HE2  TYR  19           HE1      TYR  19   0.194   7.054   8.676
  134    HH   TYR  19           HH       TYR  19  -1.051   5.005   8.121
  135    H    LEU  20           H        LEU  20  -1.702   9.997  10.609
  136    HA   LEU  20           HA       LEU  20  -1.469  11.482  13.017
  137    HB2  LEU  20           2HB      LEU  20  -1.129   9.011  12.752
  138    HB3  LEU  20           3HB      LEU  20   0.417   9.371  11.987
  139    HG   LEU  20           HG       LEU  20   0.234   8.741  14.547
  140   HD11  LEU  20          1HD1      LEU  20   2.387   9.014  13.962
  141   HD12  LEU  20          2HD1      LEU  20   2.205  10.575  14.760
  142   HD13  LEU  20          3HD1      LEU  20   2.057  10.459  13.007
  143   HD21  LEU  20          3HD2      LEU  20  -0.011  10.542  16.019
  144   HD22  LEU  20          1HD2      LEU  20  -1.336  10.735  14.872
  145   HD23  LEU  20          2HD2      LEU  20   0.109  11.735  14.725
  146    H    CYS  21           H        CYS  21  -0.209  13.154  13.495
  147    HA   CYS  21           HA       CYS  21   1.673  14.131  11.518
  148    HB2  CYS  21           2HB      CYS  21   0.025  15.315  13.479
  149    HB3  CYS  21           3HB      CYS  21   1.684  15.654  13.961
  150    HN2  DB2  22           H        DB2  22   3.533  15.417  13.089
  151    HA   DB2  22           HA       DB2  22   4.781  13.700  14.985
  152   HB2C  DB2  22          HB        DB2  22   5.981  15.966  13.400
  153   HG1C  DB2  22          3HG       DB2  22   4.895  16.200  16.188
  154   HG2C  DB2  22          1HG       DB2  22   3.836  16.341  14.783
  155   HG3C  DB2  22          2HG       DB2  22   5.179  17.463  14.991
  156    H    VAL  23           H        VAL  23   5.098  14.176  11.523
  157    HA   VAL  23           HA       VAL  23   7.153  12.067  11.457
  158    HB   VAL  23           HB       VAL  23   4.968  12.265   9.396
  159   HG11  VAL  23          1HG1      VAL  23   6.531  10.934   8.433
  160   HG12  VAL  23          2HG1      VAL  23   7.225  10.441   9.979
  161   HG13  VAL  23          3HG1      VAL  23   5.727   9.704   9.408
  162   HG21  VAL  23          3HG2      VAL  23   4.992  10.465  11.817
  163   HG22  VAL  23          1HG2      VAL  23   3.950  11.872  11.607
  164   HG23  VAL  23          2HG2      VAL  23   3.784  10.483  10.533
  165    HN2  DB2  24           H        DB2  24   8.671  12.194   9.822
  166    HA   DB2  24           HA       DB2  24   8.517  14.184   7.753
  167   HB2C  DB2  24          HB        DB2  24  11.082  12.864   8.479
  168   HG1C  DB2  24          3HG       DB2  24   9.992  10.911   6.971
  169   HG2C  DB2  24          1HG       DB2  24   8.558  11.478   7.831
  170   HG3C  DB2  24          2HG       DB2  24   9.963  10.916   8.734
  171    H    LYS  25           H        LYS  25  10.800  15.419   7.485
  172    HA   LYS  25           HA       LYS  25  12.452  16.407   9.236
  173    HB2  LYS  25           2HB      LYS  25  11.019  17.605   7.051
  174    HB3  LYS  25           3HB      LYS  25  11.259  18.799   8.320
  175    HG2  LYS  25           2HG      LYS  25  13.503  18.857   8.036
  176    HG3  LYS  25           3HG      LYS  25  13.601  17.154   7.582
  177    HD2  LYS  25           2HD      LYS  25  13.313  17.591   5.385
  178    HD3  LYS  25           3HD      LYS  25  12.156  18.890   5.690
  179    HE2  LYS  25           2HE      LYS  25  13.990  20.381   6.307
  180    HE3  LYS  25           3HE      LYS  25  15.149  19.081   6.029
  181    HZ1  LYS  25           3HZ      LYS  25  15.273  19.987   3.998
  182    HZ2  LYS  25           1HZ      LYS  25  13.781  20.775   4.123
  183    HZ3  LYS  25           2HZ      LYS  25  13.840  19.139   3.697
  184    H    GLU  26           H        GLU  26   8.992  16.980   9.447
  185    HA   GLU  26           HA       GLU  26   8.852  18.925  11.385
  186    HB2  GLU  26           2HB      GLU  26   7.024  16.562  11.564
  187    HB3  GLU  26           3HB      GLU  26   6.654  18.270  11.749
  188    HG2  GLU  26           2HG      GLU  26   7.165  18.494   9.273
  189    HG3  GLU  26           3HG      GLU  26   7.120  16.732   9.218
  190    H    CYS  27           H        CYS  27   9.144  15.417  11.885
  191    HA   CYS  27           HA       CYS  27  10.086  15.981  14.620
  192    HB2  CYS  27           2HB      CYS  27   8.325  13.737  13.633
  193    HB3  CYS  27           3HB      CYS  27   9.154  13.683  15.185
  194    H    MET  28           H        MET  28  10.716  14.555  11.605
  195    HA   MET  28           HA       MET  28  13.104  13.238  12.714
  196    HB2  MET  28           2HB      MET  28  11.867  12.174  10.218
  197    HB3  MET  28           3HB      MET  28  12.820  11.341  11.439
  198    HG2  MET  28           2HG      MET  28  10.883  11.512  12.982
  199    HG3  MET  28           3HG      MET  28   9.944  12.191  11.655
  200    HE1  MET  28           3HE      MET  28  12.632   9.414  10.840
  201    HE2  MET  28           1HE      MET  28  12.298   9.231  12.562
  202    HE3  MET  28           2HE      MET  28  11.796   7.976  11.429
  203    HA   PRO  29           HA       PRO  29  14.941  16.193   9.893
  204    HB2  PRO  29           2HB      PRO  29  17.499  15.697  10.654
  205    HB3  PRO  29           3HB      PRO  29  16.395  16.706  11.596
  206    HG2  PRO  29           2HG      PRO  29  17.146  13.836  11.996
  207    HG3  PRO  29           3HG      PRO  29  16.968  15.124  13.202
  208    HD2  PRO  29           2HD      PRO  29  15.048  13.266  12.760
  209    HD3  PRO  29           3HD      PRO  29  14.672  14.930  13.255
  210    H    SER  30           H        SER  30  15.316  12.787  10.060
  211    HA   SER  30           HA       SER  30  17.166  12.548   7.872
  212    HB2  SER  30           2HB      SER  30  16.755  10.872   9.810
  213    HB3  SER  30           3HB      SER  30  15.388  10.323   8.840
  214    HG   SER  30           HG       SER  30  17.769   9.463   8.594
  215    H    CYS  31           H        CYS  31  14.671  14.066   7.443
  216    HA   CYS  31           HA       CYS  31  13.208  12.412   5.537
  217    HB2  CYS  31           2HB      CYS  31  12.547  14.625   7.201
  218    HB3  CYS  31           3HB      CYS  31  12.307  15.123   5.529
  219    H    ASN  32           H        ASN  32  13.004  12.912   3.343
  220    HA   ASN  32           HA       ASN  32  14.540  15.086   2.210
  221    HB2  ASN  32           2HB      ASN  32  16.116  13.083   2.571
  222    HB3  ASN  32           3HB      ASN  32  15.209  12.299   1.280
  223   HD21  ASN  32          1HD2      ASN  32  17.840  14.161   1.973
  224   HD22  ASN  32          2HD2      ASN  32  18.136  14.825   0.406
  Start of MODEL   19
    1    H41  2KT   1           2H4      2KT   1  -8.084   9.730  23.146
    2    H42  2KT   1           3H4      2KT   1  -9.109   8.881  22.454
    3    H43  2KT   1           1H4      2KT   1  -7.690   8.407  22.562
    4    H31  2KT   1           2H3      2KT   1  -8.271  10.707  21.411
    5    H32  2KT   1           3H3      2KT   1  -6.939  10.042  21.228
    6    H    ILE   2           H        ILE   2  -8.988   7.848  18.164
    7    HA   ILE   2           HA       ILE   2  -6.663   6.197  18.284
    8    HB   ILE   2           HB       ILE   2  -8.318   6.470  15.804
    9   HG12  ILE   2          2HG1      ILE   2 -10.113   6.325  17.254
   10   HG13  ILE   2          3HG1      ILE   2  -9.756   4.620  17.004
   11   HG21  ILE   2          1HG2      ILE   2  -6.342   4.683  16.794
   12   HG22  ILE   2          2HG2      ILE   2  -7.857   3.798  16.620
   13   HG23  ILE   2          3HG2      ILE   2  -7.174   4.656  15.239
   14   HD11  ILE   2          3HD1      ILE   2  -8.191   5.143  19.135
   15   HD12  ILE   2          1HD1      ILE   2  -9.518   6.270  19.417
   16   HD13  ILE   2          2HD1      ILE   2  -9.847   4.546  19.239
   17    HN2  DB2   3           H        DB2   3  -4.737   6.447  17.357
   18    HA   DB2   3           HA       DB2   3  -4.259   8.880  15.806
   19   HB2C  DB2   3          HB        DB2   3  -3.338   6.164  14.881
   20   HG1C  DB2   3          3HG       DB2   3  -5.673   6.275  14.508
   21   HG2C  DB2   3          1HG       DB2   3  -4.913   6.633  12.955
   22   HG3C  DB2   3          2HG       DB2   3  -5.579   7.940  13.934
   23    H    LEU   4           H        LEU   4  -3.599   7.552  18.493
   24    HA   LEU   4           HA       LEU   4  -1.385   8.774  19.256
   25    HB2  LEU   4           2HB      LEU   4  -2.356   6.032  19.895
   26    HB3  LEU   4           3HB      LEU   4  -0.798   6.549  20.534
   27    HG   LEU   4           HG       LEU   4  -2.161   8.597  21.414
   28   HD11  LEU   4          1HD1      LEU   4  -4.305   8.484  20.755
   29   HD12  LEU   4          2HD1      LEU   4  -4.466   7.369  22.112
   30   HD13  LEU   4          3HD1      LEU   4  -4.240   6.743  20.479
   31   HD21  LEU   4          3HD2      LEU   4  -2.403   7.514  23.500
   32   HD22  LEU   4          1HD2      LEU   4  -1.026   6.747  22.709
   33   HD23  LEU   4          2HD2      LEU   4  -2.590   5.932  22.742
   34    H    DHA   5           H        DHA   5   0.666   8.874  18.783
   35    HB1  DHA   5           2HB      DHA   5   2.182   5.955  18.729
   36    HB2  DHA   5           3HB      DHA   5   3.523   6.365  17.499
   37    H1   DBU   6           H        DBU   6   1.655   7.423  15.246
   38    HB1  DBU   6           HB       DBU   6   4.221   9.853  13.307
   39    HG1  DBU   6           3HG      DBU   6   5.812   8.382  14.455
   40    HG2  DBU   6           1HG      DBU   6   4.502   7.546  15.271
   41    HG3  DBU   6           2HG      DBU   6   5.063   9.105  15.883
   42    H    CYS   7           H        CYS   7   0.076   9.013  14.610
   43    HA   CYS   7           HA       CYS   7  -0.746   9.780  12.053
   44    HB2  CYS   7           2HB      CYS   7  -2.176  10.032  14.706
   45    HB3  CYS   7           3HB      CYS   7  -2.945  10.267  13.140
   46    H    ALA   8           H        ALA   8  -0.554  11.738  15.024
   47    HA   ALA   8           HA       ALA   8  -1.299  14.173  13.828
   48    HB1  ALA   8           1HB      ALA   8  -0.034  13.366  16.382
   49    HB2  ALA   8           2HB      ALA   8   0.128  15.053  15.894
   50    HB3  ALA   8           3HB      ALA   8  -1.474  14.341  16.086
   51    H    ILE   9           H        ILE   9   1.450  12.344  13.357
   52    HA   ILE   9           HA       ILE   9   3.168  14.650  12.801
   53    HB   ILE   9           HB       ILE   9   3.877  11.719  12.646
   54   HG12  ILE   9          2HG1      ILE   9   4.105  13.710  14.900
   55   HG13  ILE   9          3HG1      ILE   9   3.328  12.131  14.921
   56   HG21  ILE   9          1HG2      ILE   9   5.578  14.208  12.693
   57   HG22  ILE   9          2HG2      ILE   9   6.192  12.556  12.753
   58   HG23  ILE   9          3HG2      ILE   9   5.334  13.126  11.322
   59   HD11  ILE   9          3HD1      ILE   9   5.670  11.195  14.479
   60   HD12  ILE   9          1HD1      ILE   9   6.244  12.790  14.967
   61   HD13  ILE   9          2HD1      ILE   9   5.304  11.809  16.092
   62    H    LEU  10           H        LEU  10   1.931  11.724  11.200
   63    HA   LEU  10           HA       LEU  10   2.721  12.818   8.606
   64    HB2  LEU  10           2HB      LEU  10   3.003  10.342   9.511
   65    HB3  LEU  10           3HB      LEU  10   1.369  10.185   8.868
   66    HG   LEU  10           HG       LEU  10   3.492  11.308   7.104
   67   HD11  LEU  10          1HD1      LEU  10   4.279   9.161   8.338
   68   HD12  LEU  10          2HD1      LEU  10   4.462   9.282   6.589
   69   HD13  LEU  10          3HD1      LEU  10   3.131   8.349   7.274
   70   HD21  LEU  10          3HD2      LEU  10   2.040   9.609   5.622
   71   HD22  LEU  10          1HD2      LEU  10   1.576  11.287   5.904
   72   HD23  LEU  10          2HD2      LEU  10   0.855   9.999   6.869
   73    H    DAL  11           H        DAL  11   0.605  14.109   9.987
   74    HA   DAL  11           HA       DAL  11  -1.959  13.331   9.356
   75    HB2  DAL  11           2HB      DAL  11  -2.116  15.048   7.305
   76    HB3  DAL  11           3HB      DAL  11  -1.838  13.320   7.089
   77    H    LYS  12           H        LYS  12  -2.348  14.432  11.264
   78    HA   LYS  12           HA       LYS  12  -1.589  17.049  11.866
   79    HB2  LYS  12           2HB      LYS  12  -3.894  18.121  11.530
   80    HB3  LYS  12           3HB      LYS  12  -2.876  17.925  10.109
   81    HG2  LYS  12           2HG      LYS  12  -4.143  16.070   9.349
   82    HG3  LYS  12           3HG      LYS  12  -5.019  15.962  10.877
   83    HD2  LYS  12           2HD      LYS  12  -5.141  18.418   9.151
   84    HD3  LYS  12           3HD      LYS  12  -6.220  17.045   8.892
   85    HE2  LYS  12           2HE      LYS  12  -7.512  18.282  10.309
   86    HE3  LYS  12           3HE      LYS  12  -6.617  17.327  11.490
   87    HZ1  LYS  12           3HZ      LYS  12  -5.072  19.559  10.959
   88    HZ2  LYS  12           1HZ      LYS  12  -5.938  19.225  12.373
   89    HZ3  LYS  12           2HZ      LYS  12  -6.654  20.131  11.138
   90    HA   PRO  13           HA       PRO  13  -3.174  15.387  15.653
   91    HB2  PRO  13           2HB      PRO  13  -2.657  17.552  17.206
   92    HB3  PRO  13           3HB      PRO  13  -1.398  16.434  16.666
   93    HG2  PRO  13           2HG      PRO  13  -2.167  19.104  15.549
   94    HG3  PRO  13           3HG      PRO  13  -0.550  18.433  15.833
   95    HD2  PRO  13           2HD      PRO  13  -1.704  18.467  13.384
   96    HD3  PRO  13           3HD      PRO  13  -0.592  17.182  13.897
   97    H    LEU  14           H        LEU  14  -4.792  15.935  17.303
   98    HA   LEU  14           HA       LEU  14  -7.050  17.310  16.096
   99    HB2  LEU  14           2HB      LEU  14  -6.924  15.024  17.474
  100    HB3  LEU  14           3HB      LEU  14  -7.244  16.132  18.806
  101    HG   LEU  14           HG       LEU  14  -9.186  16.905  17.134
  102   HD11  LEU  14          1HD1      LEU  14 -10.129  15.103  15.922
  103   HD12  LEU  14          2HD1      LEU  14  -8.982  13.951  16.605
  104   HD13  LEU  14          3HD1      LEU  14  -8.426  15.178  15.467
  105   HD21  LEU  14          3HD2      LEU  14  -9.161  14.646  19.118
  106   HD22  LEU  14          1HD2      LEU  14 -10.644  15.238  18.370
  107   HD23  LEU  14          2HD2      LEU  14  -9.667  16.318  19.365
  108    H    GLY  15           H        GLY  15  -8.425  18.100  18.399
  109    HA2  GLY  15           2HA      GLY  15  -8.716  20.066  19.570
  110    HA3  GLY  15           3HA      GLY  15  -7.185  19.609  20.301
  111    H    ASN  16           H        ASN  16  -7.625  20.464  16.918
  112    HA   ASN  16           HA       ASN  16  -6.654  22.073  15.633
  113    HB2  ASN  16           2HB      ASN  16  -7.249  24.217  16.179
  114    HB3  ASN  16           3HB      ASN  16  -8.265  23.352  17.328
  115   HD21  ASN  16          1HD2      ASN  16  -5.266  25.116  16.931
  116   HD22  ASN  16          2HD2      ASN  16  -5.083  25.553  18.592
  117    H    ASN  17           H        ASN  17  -4.807  23.693  15.511
  118    HA   ASN  17           HA       ASN  17  -2.772  23.820  17.412
  119    HB2  ASN  17           2HB      ASN  17  -2.326  21.517  17.229
  120    HB3  ASN  17           3HB      ASN  17  -2.563  21.519  15.484
  121   HD21  ASN  17          1HD2      ASN  17  -0.467  20.326  15.733
  122   HD22  ASN  17          2HD2      ASN  17   0.981  21.267  15.677
  123    H    GLY  18           H        GLY  18  -2.391  22.986  13.978
  124    HA2  GLY  18           2HA      GLY  18  -2.459  25.037  12.449
  125    HA3  GLY  18           3HA      GLY  18  -1.258  25.676  13.562
  126    H    TYR  19           H        TYR  19  -0.837  22.386  13.305
  127    HA   TYR  19           HA       TYR  19   1.598  22.702  11.830
  128    HB2  TYR  19           2HB      TYR  19   0.935  21.010  13.761
  129    HB3  TYR  19           3HB      TYR  19   0.459  20.002  12.399
  130    HD1  TYR  19           HD2      TYR  19   3.354  22.144  13.418
  131    HD2  TYR  19           HD1      TYR  19   2.038  18.529  11.601
  132    HE1  TYR  19           HE2      TYR  19   5.694  21.446  13.126
  133    HE2  TYR  19           HE1      TYR  19   4.375  17.820  11.305
  134    HH   TYR  19           HH       TYR  19   7.044  19.973  11.955
  135    H    LEU  20           H        LEU  20   1.745  20.341  10.371
  136    HA   LEU  20           HA       LEU  20  -0.424  20.114   8.524
  137    HB2  LEU  20           2HB      LEU  20   0.502  22.225   7.753
  138    HB3  LEU  20           3HB      LEU  20   2.100  21.494   7.622
  139    HG   LEU  20           HG       LEU  20   1.287  20.050   5.815
  140   HD11  LEU  20          1HD1      LEU  20  -1.098  20.057   6.649
  141   HD12  LEU  20          2HD1      LEU  20  -0.885  20.218   4.906
  142   HD13  LEU  20          3HD1      LEU  20  -1.266  21.637   5.882
  143   HD21  LEU  20          3HD2      LEU  20   2.251  22.329   5.397
  144   HD22  LEU  20          1HD2      LEU  20   0.598  22.927   5.248
  145   HD23  LEU  20          2HD2      LEU  20   1.203  21.715   4.117
  146    H    CYS  21           H        CYS  21   0.224  18.700   6.620
  147    HA   CYS  21           HA       CYS  21   1.768  16.482   7.658
  148    HB2  CYS  21           2HB      CYS  21  -0.404  16.782   5.863
  149    HB3  CYS  21           3HB      CYS  21   0.921  16.069   4.949
  150    HN2  DB2  22           H        DB2  22   2.829  15.327   5.436
  151    HA   DB2  22           HA       DB2  22   4.276  16.757   3.620
  152   HB2C  DB2  22          HB        DB2  22   5.390  14.422   5.162
  153   HG1C  DB2  22          3HG       DB2  22   4.135  13.542   2.786
  154   HG2C  DB2  22          1HG       DB2  22   3.002  14.618   3.607
  155   HG3C  DB2  22          2HG       DB2  22   3.662  13.220   4.454
  156    H    VAL  23           H        VAL  23   5.275  16.004   6.949
  157    HA   VAL  23           HA       VAL  23   7.436  17.978   6.690
  158    HB   VAL  23           HB       VAL  23   5.582  17.873   9.070
  159   HG11  VAL  23          1HG1      VAL  23   6.703  20.159   9.434
  160   HG12  VAL  23          2HG1      VAL  23   7.631  18.705   9.807
  161   HG13  VAL  23          3HG1      VAL  23   7.925  19.578   8.303
  162   HG21  VAL  23          3HG2      VAL  23   5.268  19.183   6.506
  163   HG22  VAL  23          1HG2      VAL  23   4.121  19.017   7.836
  164   HG23  VAL  23          2HG2      VAL  23   5.286  20.341   7.836
  165    HN2  DB2  24           H        DB2  24   9.194  17.682   8.076
  166    HA   DB2  24           HA       DB2  24   9.267  15.612  10.047
  167   HB2C  DB2  24          HB        DB2  24  11.753  16.702   8.826
  168   HG1C  DB2  24          3HG       DB2  24  11.228  18.683  10.565
  169   HG2C  DB2  24          1HG       DB2  24   9.584  18.290  10.056
  170   HG3C  DB2  24          2HG       DB2  24  10.791  18.753   8.858
  171    H    LYS  25           H        LYS  25  11.422  14.150   9.813
  172    HA   LYS  25           HA       LYS  25  12.558  13.070   7.734
  173    HB2  LYS  25           2HB      LYS  25  11.537  11.953  10.169
  174    HB3  LYS  25           3HB      LYS  25  11.339  10.780   8.874
  175    HG2  LYS  25           2HG      LYS  25  13.917  12.140   9.631
  176    HG3  LYS  25           3HG      LYS  25  13.457  10.486  10.043
  177    HD2  LYS  25           2HD      LYS  25  13.808  11.577   7.250
  178    HD3  LYS  25           3HD      LYS  25  14.962  10.554   8.109
  179    HE2  LYS  25           2HE      LYS  25  12.293   9.864   6.963
  180    HE3  LYS  25           3HE      LYS  25  13.831   9.015   6.812
  181    HZ1  LYS  25           3HZ      LYS  25  12.718   7.673   8.269
  182    HZ2  LYS  25           1HZ      LYS  25  11.880   8.946   9.003
  183    HZ3  LYS  25           2HZ      LYS  25  13.512   8.691   9.362
  184    H    GLU  26           H        GLU  26   9.094  12.840   8.269
  185    HA   GLU  26           HA       GLU  26   8.345  10.977   6.392
  186    HB2  GLU  26           2HB      GLU  26   6.781  13.520   6.636
  187    HB3  GLU  26           3HB      GLU  26   6.199  11.867   6.501
  188    HG2  GLU  26           2HG      GLU  26   7.167  11.482   8.806
  189    HG3  GLU  26           3HG      GLU  26   7.366  13.231   8.906
  190    H    CYS  27           H        CYS  27   8.887  14.452   5.864
  191    HA   CYS  27           HA       CYS  27   9.189  13.871   2.992
  192    HB2  CYS  27           2HB      CYS  27   7.888  16.265   4.299
  193    HB3  CYS  27           3HB      CYS  27   8.326  16.207   2.595
  194    H    MET  28           H        MET  28  10.551  15.138   5.816
  195    HA   MET  28           HA       MET  28  12.743  16.325   4.250
  196    HB2  MET  28           2HB      MET  28  11.084  17.831   5.754
  197    HB3  MET  28           3HB      MET  28  12.273  17.391   6.973
  198    HG2  MET  28           2HG      MET  28  12.781  19.528   5.895
  199    HG3  MET  28           3HG      MET  28  14.048  18.330   5.643
  200    HE1  MET  28           3HE      MET  28  11.494  20.612   4.361
  201    HE2  MET  28           1HE      MET  28  11.509  20.482   2.602
  202    HE3  MET  28           2HE      MET  28  10.575  19.335   3.562
  203    HA   PRO  29           HA       PRO  29  14.896  13.125   6.532
  204    HB2  PRO  29           2HB      PRO  29  17.261  13.458   5.241
  205    HB3  PRO  29           3HB      PRO  29  15.900  12.573   4.541
  206    HG2  PRO  29           2HG      PRO  29  16.780  15.393   4.053
  207    HG3  PRO  29           3HG      PRO  29  16.241  14.171   2.886
  208    HD2  PRO  29           2HD      PRO  29  14.621  16.149   3.778
  209    HD3  PRO  29           3HD      PRO  29  14.012  14.540   3.340
  210    H    SER  30           H        SER  30  15.487  16.497   6.379
  211    HA   SER  30           HA       SER  30  17.789  16.515   8.103
  212    HB2  SER  30           2HB      SER  30  17.057  18.300   6.351
  213    HB3  SER  30           3HB      SER  30  16.022  18.902   7.646
  214    HG   SER  30           HG       SER  30  18.085  19.914   7.622
  215    H    CYS  31           H        CYS  31  15.331  15.155   9.030
  216    HA   CYS  31           HA       CYS  31  14.483  16.814  11.277
  217    HB2  CYS  31           2HB      CYS  31  13.267  14.754   9.722
  218    HB3  CYS  31           3HB      CYS  31  13.335  14.209  11.395
  219    H    ASN  32           H        ASN  32  16.385  16.819  12.515
  220    HA   ASN  32           HA       ASN  32  17.328  14.237  13.522
  221    HB2  ASN  32           2HB      ASN  32  18.899  16.073  12.637
  222    HB3  ASN  32           3HB      ASN  32  18.552  16.919  14.142
  223   HD21  ASN  32          1HD2      ASN  32  20.050  14.138  12.692
  224   HD22  ASN  32          2HD2      ASN  32  20.985  13.674  14.069
  Start of MODEL   20
    1    H41  2KT   1           2H4      2KT   1  -7.242  13.046  25.300
    2    H42  2KT   1           3H4      2KT   1  -6.965  12.791  23.848
    3    H43  2KT   1           1H4      2KT   1  -8.195  13.548  24.256
    4    H31  2KT   1           2H3      2KT   1  -7.705  11.092  25.104
    5    H32  2KT   1           3H3      2KT   1  -9.049  11.731  25.295
    6    H    ILE   2           H        ILE   2  -9.227  10.144  21.216
    7    HA   ILE   2           HA       ILE   2  -7.645   7.857  21.502
    8    HB   ILE   2           HB       ILE   2  -7.673   7.760  18.999
    9   HG12  ILE   2          2HG1      ILE   2  -9.459   9.549  18.128
   10   HG13  ILE   2          3HG1      ILE   2  -8.741  10.508  19.418
   11   HG21  ILE   2          1HG2      ILE   2  -9.553   7.050  20.668
   12   HG22  ILE   2          2HG2      ILE   2 -10.442   8.376  19.920
   13   HG23  ILE   2          3HG2      ILE   2  -9.857   7.038  18.931
   14   HD11  ILE   2          3HD1      ILE   2  -7.149   9.183  17.240
   15   HD12  ILE   2          1HD1      ILE   2  -7.734  10.845  17.165
   16   HD13  ILE   2          2HD1      ILE   2  -6.588  10.369  18.418
   17    HN2  DB2   3           H        DB2   3  -5.655   7.308  20.397
   18    HA   DB2   3           HA       DB2   3  -3.817   9.611  20.190
   19   HB2C  DB2   3          HB        DB2   3  -3.619   6.985  18.725
   20   HG1C  DB2   3          3HG       DB2   3  -4.171   8.450  16.716
   21   HG2C  DB2   3          1HG       DB2   3  -4.672   9.675  17.884
   22   HG3C  DB2   3          2HG       DB2   3  -5.489   8.113  17.838
   23    H    LEU   4           H        LEU   4  -4.607   7.710  22.438
   24    HA   LEU   4           HA       LEU   4  -2.492   7.705  24.021
   25    HB2  LEU   4           2HB      LEU   4  -4.494   5.524  23.593
   26    HB3  LEU   4           3HB      LEU   4  -3.215   5.334  24.789
   27    HG   LEU   4           HG       LEU   4  -4.056   7.478  25.839
   28   HD11  LEU   4          1HD1      LEU   4  -6.287   6.970  23.886
   29   HD12  LEU   4          2HD1      LEU   4  -5.324   8.434  24.082
   30   HD13  LEU   4          3HD1      LEU   4  -6.472   7.960  25.334
   31   HD21  LEU   4          3HD2      LEU   4  -4.680   5.770  27.169
   32   HD22  LEU   4          1HD2      LEU   4  -5.339   4.828  25.832
   33   HD23  LEU   4          2HD2      LEU   4  -6.288   6.135  26.541
   34    H    DHA   5           H        DHA   5  -0.515   6.983  24.090
   35    HB1  DHA   5           2HB      DHA   5  -0.244   3.744  23.589
   36    HB2  DHA   5           3HB      DHA   5   1.478   3.719  22.874
   37    H1   DBU   6           H        DBU   6   0.976   5.819  20.625
   38    HB1  DBU   6           HB       DBU   6   4.725   7.105  20.006
   39    HG1  DBU   6           3HG      DBU   6   4.193   5.484  22.323
   40    HG2  DBU   6           1HG      DBU   6   5.236   4.956  21.014
   41    HG3  DBU   6           2HG      DBU   6   3.521   4.539  20.990
   42    H    CYS   7           H        CYS   7   0.401   8.036  20.138
   43    HA   CYS   7           HA       CYS   7   0.876   9.686  17.928
   44    HB2  CYS   7           2HB      CYS   7  -1.235   9.927  20.082
   45    HB3  CYS   7           3HB      CYS   7  -1.261  10.790  18.547
   46    H    ALA   8           H        ALA   8   0.941  10.391  21.396
   47    HA   ALA   8           HA       ALA   8   1.479  13.176  21.057
   48    HB1  ALA   8           1HB      ALA   8   0.690  11.583  23.159
   49    HB2  ALA   8           2HB      ALA   8   2.333  12.050  23.600
   50    HB3  ALA   8           3HB      ALA   8   1.125  13.289  23.257
   51    H    ILE   9           H        ILE   9   3.351  10.481  20.533
   52    HA   ILE   9           HA       ILE   9   5.859  11.747  21.344
   53    HB   ILE   9           HB       ILE   9   5.441   9.013  20.134
   54   HG12  ILE   9          2HG1      ILE   9   5.566   9.948  22.997
   55   HG13  ILE   9          3HG1      ILE   9   4.325   8.968  22.224
   56   HG21  ILE   9          1HG2      ILE   9   7.689   9.912  19.818
   57   HG22  ILE   9          2HG2      ILE   9   7.816  10.213  21.551
   58   HG23  ILE   9          3HG2      ILE   9   7.697   8.560  20.950
   59   HD11  ILE   9          3HD1      ILE   9   5.954   7.135  22.009
   60   HD12  ILE   9          1HD1      ILE   9   7.135   8.117  22.875
   61   HD13  ILE   9          2HD1      ILE   9   5.655   7.601  23.683
   62    H    LEU  10           H        LEU  10   4.323  10.379  18.445
   63    HA   LEU  10           HA       LEU  10   6.369  11.633  16.774
   64    HB2  LEU  10           2HB      LEU  10   5.070   9.208  16.621
   65    HB3  LEU  10           3HB      LEU  10   4.247  10.181  15.404
   66    HG   LEU  10           HG       LEU  10   7.233  10.054  15.415
   67   HD11  LEU  10          1HD1      LEU  10   6.939   7.778  15.409
   68   HD12  LEU  10          2HD1      LEU  10   6.802   8.138  13.688
   69   HD13  LEU  10          3HD1      LEU  10   5.349   7.874  14.651
   70   HD21  LEU  10          3HD2      LEU  10   6.522  11.563  13.832
   71   HD22  LEU  10          1HD2      LEU  10   5.045  10.665  13.481
   72   HD23  LEU  10          2HD2      LEU  10   6.596  10.080  12.879
   73    H    DAL  11           H        DAL  11   4.039  12.980  18.218
   74    HA   DAL  11           HA       DAL  11   2.569  14.666  17.843
   75    HB2  DAL  11           2HB      DAL  11   0.918  14.254  16.356
   76    HB3  DAL  11           3HB      DAL  11   1.717  12.689  16.215
   77    H    LYS  12           H        LYS  12   3.043  16.732  17.492
   78    HA   LYS  12           HA       LYS  12   3.802  18.644  16.492
   79    HB2  LYS  12           2HB      LYS  12   6.234  18.525  15.858
   80    HB3  LYS  12           3HB      LYS  12   5.862  17.959  17.481
   81    HG2  LYS  12           2HG      LYS  12   5.988  15.653  16.728
   82    HG3  LYS  12           3HG      LYS  12   6.305  16.196  15.078
   83    HD2  LYS  12           2HD      LYS  12   8.055  16.657  17.493
   84    HD3  LYS  12           3HD      LYS  12   8.381  15.558  16.151
   85    HE2  LYS  12           2HE      LYS  12   9.632  17.361  15.507
   86    HE3  LYS  12           3HE      LYS  12   8.101  17.754  14.726
   87    HZ1  LYS  12           3HZ      LYS  12   8.021  18.780  17.318
   88    HZ2  LYS  12           1HZ      LYS  12   8.068  19.637  15.860
   89    HZ3  LYS  12           2HZ      LYS  12   9.508  19.235  16.651
   90    HA   PRO  13           HA       PRO  13   3.030  16.868  12.170
   91    HB2  PRO  13           2HB      PRO  13   0.479  17.757  11.893
   92    HB3  PRO  13           3HB      PRO  13   0.877  16.174  12.573
   93    HG2  PRO  13           2HG      PRO  13   0.180  18.721  13.983
   94    HG3  PRO  13           3HG      PRO  13  -0.364  17.069  14.325
   95    HD2  PRO  13           2HD      PRO  13   1.600  18.278  15.743
   96    HD3  PRO  13           3HD      PRO  13   1.575  16.527  15.447
   97    H    LEU  14           H        LEU  14   1.552  18.425  10.484
   98    HA   LEU  14           HA       LEU  14   3.250  20.578   9.937
   99    HB2  LEU  14           2HB      LEU  14   1.064  19.313   8.711
  100    HB3  LEU  14           3HB      LEU  14   0.632  21.017   8.837
  101    HG   LEU  14           HG       LEU  14   1.616  20.636   6.691
  102   HD11  LEU  14          1HD1      LEU  14   3.350  22.099   8.652
  103   HD12  LEU  14          2HD1      LEU  14   2.211  22.752   7.474
  104   HD13  LEU  14          3HD1      LEU  14   3.735  22.051   6.931
  105   HD21  LEU  14          3HD2      LEU  14   3.778  19.671   6.355
  106   HD22  LEU  14          1HD2      LEU  14   2.835  18.561   7.350
  107   HD23  LEU  14          2HD2      LEU  14   4.067  19.581   8.093
  108    H    GLY  15           H        GLY  15   1.567  22.725   9.320
  109    HA2  GLY  15           2HA      GLY  15   0.870  23.670  12.031
  110    HA3  GLY  15           3HA      GLY  15   1.537  24.701  10.774
  111    H    ASN  16           H        ASN  16  -0.380  22.969   8.966
  112    HA   ASN  16           HA       ASN  16  -2.900  24.270   9.688
  113    HB2  ASN  16           2HB      ASN  16  -1.454  25.635   8.001
  114    HB3  ASN  16           3HB      ASN  16  -1.958  24.410   6.841
  115   HD21  ASN  16          1HD2      ASN  16  -2.644  27.381   7.935
  116   HD22  ASN  16          2HD2      ASN  16  -4.334  27.458   7.584
  117    H    ASN  17           H        ASN  17  -2.730  21.731  10.166
  118    HA   ASN  17           HA       ASN  17  -4.645  20.510   8.519
  119    HB2  ASN  17           2HB      ASN  17  -2.884  20.264   6.881
  120    HB3  ASN  17           3HB      ASN  17  -1.803  19.572   8.087
  121   HD21  ASN  17          1HD2      ASN  17  -1.580  17.784   6.648
  122   HD22  ASN  17          2HD2      ASN  17  -2.787  16.548   6.602
  123    H    GLY  18           H        GLY  18  -5.682  19.087   9.762
  124    HA2  GLY  18           2HA      GLY  18  -4.378  18.191  12.223
  125    HA3  GLY  18           3HA      GLY  18  -6.101  18.137  11.884
  126    H    TYR  19           H        TYR  19  -4.297  17.017   9.274
  127    HA   TYR  19           HA       TYR  19  -5.318  14.392   9.483
  128    HB2  TYR  19           2HB      TYR  19  -4.508  15.756   7.397
  129    HB3  TYR  19           3HB      TYR  19  -2.946  15.035   7.768
  130    HD1  TYR  19           HD1      TYR  19  -6.402  13.629   7.933
  131    HD2  TYR  19           HD2      TYR  19  -2.536  13.410   6.169
  132    HE1  TYR  19           HE1      TYR  19  -7.069  11.585   6.738
  133    HE2  TYR  19           HE2      TYR  19  -3.193  11.367   4.968
  134    HH   TYR  19           HH       TYR  19  -5.047   9.462   5.458
  135    H    LEU  20           H        LEU  20  -3.457  12.586   8.920
  136    HA   LEU  20           HA       LEU  20  -2.372  11.834  11.332
  137    HB2  LEU  20           2HB      LEU  20  -0.887  10.338  10.018
  138    HB3  LEU  20           3HB      LEU  20  -2.588  10.250   9.567
  139    HG   LEU  20           HG       LEU  20  -1.889  11.927   7.694
  140   HD11  LEU  20          1HD1      LEU  20   0.742  10.662   8.436
  141   HD12  LEU  20          2HD1      LEU  20   0.348  12.380   8.434
  142   HD13  LEU  20          3HD1      LEU  20   0.424  11.492   6.912
  143   HD21  LEU  20          3HD2      LEU  20  -1.477  10.076   6.204
  144   HD22  LEU  20          1HD2      LEU  20  -2.703   9.613   7.384
  145   HD23  LEU  20          2HD2      LEU  20  -1.046   9.034   7.561
  146    H    CYS  21           H        CYS  21  -0.021  11.533  11.855
  147    HA   CYS  21           HA       CYS  21   1.302  14.102  11.668
  148    HB2  CYS  21           2HB      CYS  21   1.296  11.901  13.505
  149    HB3  CYS  21           3HB      CYS  21   2.952  12.223  13.003
  150    HN2  DB2  22           H        DB2  22   3.947  13.482  11.766
  151    HA   DB2  22           HA       DB2  22   4.958  11.659   9.933
  152   HB2C  DB2  22          HB        DB2  22   6.141  14.389  10.327
  153   HG1C  DB2  22          3HG       DB2  22   7.184  12.705  12.314
  154   HG2C  DB2  22          1HG       DB2  22   5.436  12.462  12.344
  155   HG3C  DB2  22          2HG       DB2  22   6.105  14.082  12.530
  156    H    VAL  23           H        VAL  23   4.647  15.159   9.320
  157    HA   VAL  23           HA       VAL  23   4.497  14.608   6.457
  158    HB   VAL  23           HB       VAL  23   2.434  16.400   7.717
  159   HG11  VAL  23          1HG1      VAL  23   2.347  16.950   5.528
  160   HG12  VAL  23          2HG1      VAL  23   3.076  15.430   5.006
  161   HG13  VAL  23          3HG1      VAL  23   1.364  15.490   5.425
  162   HG21  VAL  23          3HG2      VAL  23   0.883  14.393   7.166
  163   HG22  VAL  23          1HG2      VAL  23   2.362  13.440   7.291
  164   HG23  VAL  23          2HG2      VAL  23   1.802  14.384   8.671
  165    HN2  DB2  24           H        DB2  24   5.178  16.285   5.165
  166    HA   DB2  24           HA       DB2  24   5.653  18.922   6.201
  167   HB2C  DB2  24          HB        DB2  24   6.900  17.940   3.678
  168   HG1C  DB2  24          3HG       DB2  24   4.507  18.546   2.694
  169   HG2C  DB2  24          1HG       DB2  24   3.995  18.017   4.299
  170   HG3C  DB2  24          2HG       DB2  24   4.902  16.922   3.257
  171    H    LYS  25           H        LYS  25   7.994  19.796   5.395
  172    HA   LYS  25           HA       LYS  25  10.332  18.638   5.360
  173    HB2  LYS  25           2HB      LYS  25   9.388  21.056   6.595
  174    HB3  LYS  25           3HB      LYS  25  10.690  20.372   7.559
  175    HG2  LYS  25           2HG      LYS  25  12.255  20.777   5.984
  176    HG3  LYS  25           3HG      LYS  25  11.143  20.480   4.646
  177    HD2  LYS  25           2HD      LYS  25  11.141  22.700   4.370
  178    HD3  LYS  25           3HD      LYS  25  10.113  22.751   5.804
  179    HE2  LYS  25           2HE      LYS  25  13.123  22.850   5.893
  180    HE3  LYS  25           3HE      LYS  25  12.099  24.284   5.861
  181    HZ1  LYS  25           3HZ      LYS  25  12.785  22.639   8.058
  182    HZ2  LYS  25           1HZ      LYS  25  11.104  22.665   7.869
  183    HZ3  LYS  25           2HZ      LYS  25  11.957  24.114   8.051
  184    H    GLU  26           H        GLU  26   8.247  18.521   8.183
  185    HA   GLU  26           HA       GLU  26   9.937  17.507  10.101
  186    HB2  GLU  26           2HB      GLU  26   7.184  16.362   9.776
  187    HB3  GLU  26           3HB      GLU  26   8.043  16.775  11.253
  188    HG2  GLU  26           2HG      GLU  26   7.843  19.199  10.015
  189    HG3  GLU  26           3HG      GLU  26   6.334  18.416   9.552
  190    H    CYS  27           H        CYS  27   8.121  15.673   7.654
  191    HA   CYS  27           HA       CYS  27   9.996  13.440   8.075
  192    HB2  CYS  27           2HB      CYS  27   7.035  13.283   7.476
  193    HB3  CYS  27           3HB      CYS  27   8.128  11.903   7.482
  194    H    MET  28           H        MET  28   8.650  15.674   5.931
  195    HA   MET  28           HA       MET  28   9.794  14.210   3.649
  196    HB2  MET  28           2HB      MET  28   7.514  16.076   3.195
  197    HB3  MET  28           3HB      MET  28   7.997  14.655   2.279
  198    HG2  MET  28           2HG      MET  28   7.196  13.252   4.177
  199    HG3  MET  28           3HG      MET  28   6.563  14.719   4.920
  200    HE1  MET  28           3HE      MET  28   4.512  12.006   2.131
  201    HE2  MET  28           1HE      MET  28   6.081  12.453   1.462
  202    HE3  MET  28           2HE      MET  28   5.974  11.797   3.095
  203    HA   PRO  29           HA       PRO  29  12.191  17.992   3.581
  204    HB2  PRO  29           2HB      PRO  29  13.881  17.175   1.619
  205    HB3  PRO  29           3HB      PRO  29  14.037  16.653   3.301
  206    HG2  PRO  29           2HG      PRO  29  12.807  15.220   0.978
  207    HG3  PRO  29           3HG      PRO  29  13.870  14.586   2.248
  208    HD2  PRO  29           2HD      PRO  29  11.186  14.235   2.287
  209    HD3  PRO  29           3HD      PRO  29  12.149  14.396   3.769
  210    H    SER  30           H        SER  30  10.247  16.582   1.145
  211    HA   SER  30           HA       SER  30  10.769  18.548  -0.889
  212    HB2  SER  30           2HB      SER  30   9.867  16.096  -1.138
  213    HB3  SER  30           3HB      SER  30   8.298  16.849  -0.854
  214    HG   SER  30           HG       SER  30   8.378  17.747  -2.766
  215    H    CYS  31           H        CYS  31   9.936  19.487   1.776
  216    HA   CYS  31           HA       CYS  31   7.304  20.647   1.247
  217    HB2  CYS  31           2HB      CYS  31   8.708  19.844   3.603
  218    HB3  CYS  31           3HB      CYS  31   8.372  21.569   3.717
  219    H    ASN  32           H        ASN  32   6.972  22.757   0.808
  220    HA   ASN  32           HA       ASN  32   9.055  24.720   1.241
  221    HB2  ASN  32           2HB      ASN  32   9.813  23.973  -0.882
  222    HB3  ASN  32           3HB      ASN  32   8.174  23.886  -1.520
  223   HD21  ASN  32          1HD2      ASN  32  10.952  25.733  -1.280
  224   HD22  ASN  32          2HD2      ASN  32  10.321  27.229  -1.873