*HEADER    ANTIMICROBIAL PROTEIN                   20-JUL-11   2LG4              
*TITLE     3D SOLUTION STRUCTURE OF ANTIMICROBIAL PEPTIDE AURELIN                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AURELIN;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: AURELIA AURITA;                                 
*SOURCE   3 ORGANISM_COMMON: MOON JELLYFISH;                                     
*SOURCE   4 ORGANISM_TAXID: 6145;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PGEM-T                                     
*KEYWDS    ANTIMICROBIAL PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Z.SHENKAREV, D.ALTUKHOV                                               
*REVDAT   1   25-JUL-12 2LG4    0                                                


2 ALA  PHI   -80.0   -40.0   
3 CYSS  PHI   -150.0   -90.0  
4 SER  PHI   -180.0   -70.0  
4 SER  PHI   -100.0   220.0  
5 ASP  PHI   -180.0   -70.0  
5 ASP  PHI   -100.0   220.0  
6 ARG  PHI   -150.0   -90.0 
7 ALA  PHI    -80.0   -40.0  
8 HIS  PHI    -80.0   -40.0  
10 HIS  PHI   -180.0   -70.0 
10 HIS  PHI   -100.0   220.0 
11 ILE   PHI    -80.0   -40.0 
12 CYSS PHI    -80.0   -40.0 
13 GLU  PHI    -80.0   -40.0  
14 SER  PHI    -80.0   -40.0  
15 PHE  PHI   -150.0   -90.0  
16 LYS  PHI    -80.0   -40.0  
17 SER  PHI    -80.0   -40.0  
18 PHE  PHI   -150.0   -90.0  
19 CYSS PHI    -80.0   -40.0 
20 LYS  PHI   -150.0   -90.0  
21 ASP  PHI    -80.0   -40.0  
22 SER  PHI    -80.0   -40.0 
24 ARG  PHI   -80.0   -40.0  
25 ASN  PHI    -80.0   -40.0 
27 VAL  PHI    -80.0   -40.0  
28 LYS  PHI    -80.0   -40.0  
29 LEU  PHI    -80.0   -40.0  
30 ARG  PHI    -80.0   -40.0  
31 ALA  PHI   -180.0   -60.0 
31 ALA  PHI   -100.0   220.0 
32 ASN  PHI   -180.0   -70.0  
32 ASN  PHI   -100.0   220.0  
33 CYSS PHI   -150.0   -90.0
34 LYS  PHI    -80.0   -40.0  
35 LYS PHI   -180.0   -70.0  
35 LYS PHI   -100.0   220.0  
36 THR  PHI    -80.0   -40.0  
37 CYSS PHI   -180.0   -70.0 
37 CYSS PHI   -100.0   220.0   
39 LEU  PHI   -150.0   -90.0 
40 CYSS PHI   -180.0   -70.0 
40 CYSS PHI   -100.0   220.0  


11 ILE  PSI    -60.0   -20.0  
12 CYSS PSI    -60.0   -20.0  
13 GLU  PSI    -60.0   -20.0 
16 LYS  PSI    -60.0   -20.0  
24 ARG  PSI   -60.0   -20.0 
27 VAL  PSI    -60.0   -20.0 
28 LYS  PSI    -60.0   -20.0 
29 LEU  PSI    -60.0   -20.0  
31 ALA  PSI    -60.0   -20.0  
34 LYS  PSI    -60.0   -20.0 
36 THR  PSI    -60.0   -20.0  


3 CYSS  CHI1   150.0   210.0
5 ASP  CHI1   -90.0   -30.0
8 HIS  CHI1   -90.0   -30.0
11 ILE CHI1    -90.0   -30.0    
12 CYSS CHI1   -90.0   -30.0
15 PHE  CHI1   -90.0   -30.0
18 PHE  CHI1    -90.0   -30.0
19 CYSS  CHI1  -90.0   -30.0
20 LYS  CHI1    30.0    90.0
25 ASN  CHI1   -90.0   -30.0
27 VAL  CHI1   150.0   210.0
29 LEU  CHI1   -90.0   -30.0
30 ARG  CHI1  -90.0    -30.0
33 CYSS  CHI1   -90.0   -30.0
34 LYS  CHI1   -90.0   -30.0
35 LYS  CHI1   150.0   210.0
36 THR  CHI1   -90.0   -30.0
37 CYSS  CHI1   -90.0   -30.0
40 CYSS CHI1   -90.0   -30.0
  3 CYSS HA     34 LYS  HB2     3.00            #peak     8
  3 CYSS HA     34 LYS  HB3     3.00            #peak     9
  4 SER  HA     34 LYS  HB2     3.00            #peak    20
  4 SER  HA     35 LYS  HB3     3.00            #peak    22
  4 SER  HA     35 LYS  HD2     3.00            #peak    23
  4 SER  HA     35 LYS  HD3     3.00            #peak    24
  5 ASP  HB2    35 LYS  HD3     3.00            #peak    46
  5 ASP  HB2    35 LYS  H       3.00            #peak    47
  5 ASP  HB2    36 THR  H       3.00            #peak    48
  5 ASP  HB3    35 LYS  HD3     3.00            #peak    50
  6 ARG  HD3    32 ASN  HA      3.00            #peak    71
  6 ARG  HD3    34 LYS  HG2     3.00            #peak    72
  8 HIS  HA      8 HIS  HD2     3.00            #peak    84
  8 HIS  HB2    11 ILE  HG13    3.00            #peak    88
  8 HIS  HB3    11 ILE  HB      3.00            #peak    91
  8 HIS  H      11 ILE  HG13    3.00            #peak    97
  9 GLY  H      11 ILE  HB      3.00            #peak   102
  9 GLY  H      11 ILE  HG12    3.00            #peak   103
  9 GLY  H      11 ILE  HG13    3.00            #peak   104
 10 HIS  HA     10 HIS  HD2     3.00            #peak   109
 10 HIS  HA     13 GLU  HB2     3.00            #peak   112
 10 HIS  HA     13 GLU  HB3     3.00            #peak   113
 10 HIS  HD2    14 SER  HA      3.00            #peak   123
 10 HIS  HD2    14 SER  HB3     3.00            #peak   124
 10 HIS  HE1    13 GLU  HB3     3.00            #peak   126
 10 HIS  HE1    14 SER  HA      3.00            #peak   127
 10 HIS  HE1    14 SER  HB2     3.00            #peak   128
 10 HIS  HE1    14 SER  HB3     3.00            #peak   129
 15 PHE  HA     18 PHE  HB2     3.00            #peak   177
 16 LYS  HG3    17 SER  HB3     3.00            #peak   190
 18 PHE  HB3    25 ASN  HB2     3.00            #peak   207
 19 CYSS HB2    37 CYSS HA      3.00            #peak   219
 19 CYSS HB3    30 ARG  HG2     3.00            #peak   222
 19 CYSS HB3    37 CYSS HA      3.00            #peak   223
 20 LYS  HG3    21 ASP  H       3.00            #peak   237
 24 ARG  HG2    25 ASN  HD21    3.00            #peak   269
 24 ARG  HG3    25 ASN  HA      3.00            #peak   273
 24 ARG  HG3    25 ASN  HD21    3.00            #peak   274
 24 ARG  HE     25 ASN  HA      3.00            #peak   276
 24 ARG  HE     25 ASN  H       3.00            #peak   278
 30 ARG  HA     37 CYSS HB2     3.00            #peak   334
 30 ARG  HG2    37 CYSS HB2     3.00            #peak   349
 30 ARG  HD3    37 CYSS HB2     3.00            #peak   358
 30 ARG  HD3    37 CYSS HB3     3.00            #peak   359
 30 ARG  HD3    39 LEU  HG      3.00            #peak   360

#ss_bonds_lol:
 3 CYSS SG     40 CYSS SG      2.00
 3 CYSS SG     40 CYSS CB      3.00
 3 CYSS CB     40 CYSS SG      3.00

#H_bonds_lol:
 6 ARG  H      32 ASN  O       1.80
 6 ARG  N      32 ASN  O       2.70
 6 ARG  H      32 ASN  O       1.80
 6 ARG  N      32 ASN  O       2.70
 10 HIS  O      14 SER  H       1.80
 10 HIS  O      14 SER  N       2.70
 11 ILE  O      15 PHE  H       1.80
 11 ILE  O      15 PHE  N       2.70
 13 GLU  O      16 LYS  H       1.80
 13 GLU  O      16 LYS  N       2.70
 15 PHE  O      18 PHE  H       1.80
 15 PHE  O      18 PHE  N       2.70
 16 LYS  O      19 CYSS H       1.80
 16 LYS  O      19 CYSS N       2.70
 18 PHE  O      21 ASP  H       1.80
 18 PHE  O      21 ASP  N       2.70
 23 GLY  O      27 VAL  H       1.80
 23 GLY  O      27 VAL  N       2.70
 24 ARG  O      28 LYS  H       1.80
 24 ARG  O      28 LYS  N       2.70
 25 ASN  O      29 LEU  H       1.80
 25 ASN  O      29 LEU  N       2.70
 26 GLY  O      30 ARG  H       1.80
 26 GLY  O      30 ARG  N       2.70
 27 VAL  O      31 ALA  H       1.80
 27 VAL  O      31 ALA  N       2.70
 28 LYS  O      32 ASN  H       1.80
 28 LYS  O      32 ASN  N       2.70
 29 LEU  O      33 CYSS H       1.80
 29 LEU  O      33 CYSS N       2.70
  5 ASP  OD1    36 THR  H       1.80
  5 ASP  OD1    36 THR  N       2.70
 33 CYSS O      37 CYSS H       1.80
 33 CYSS O      37 CYSS N       2.70
 35 LYS  O      38 GLY  H       1.80
 35 LYS  O      38 GLY  N       2.70
 34 LYS  O      39 LEU  H       1.80
 34 LYS  O      39 LEU  N       2.70
 12 CYSS SG     33 CYSS SG      2.00
 12 CYSS SG     33 CYSS CB      3.00
 12 CYSS CB     33 CYSS SG      3.00
 19 CYSS SG     37 CYSS SG      2.00
 19 CYSS SG     37 CYSS CB      3.00
 19 CYSS CB     37 CYSS SG      3.00

 10 HIS  H      11 ILE  HA      5.63            #peak 3
 25 ASN  H      25 ASN  HD21    5.78            #peak 17
 29 LEU  H      29 LEU  HB3     3.28            #peak 22
 26 GLY  HA3    29 LEU  HB3     3.95            #peak 23
 19 CYSS HA     29 LEU  HB3     3.62            #peak 25
 28 LYS  HG3    28 LYS  QE      4.18            #peak 31
 28 LYS  QD     28 LYS  QE      2.70            #peak 32
 28 LYS  HA     28 LYS  QE      4.68            #peak 34
 28 LYS  QB     28 LYS  QE      3.84            #peak 35
  1 ALA  QB      2 ALA  H       4.53            #peak 38
  8 HIS  H       9 GLY  H       3.75            #peak 47
  8 HIS  H      11 ILE  QG2     5.15            #peak 50
 38 GLY  QA     39 LEU  QD1     4.58            #peak 58
 30 ARG  HD3    39 LEU  QD1     3.90            #peak 61
 30 ARG  H      39 LEU  QD1     5.56            #peak 63
 30 ARG  HE     39 LEU  QD1     4.80            #peak 64
 38 GLY  H      39 LEU  QD1     5.74            #peak 66
 30 ARG  HG2    39 LEU  QD1     4.28            #peak 67
 37 CYSS HB2    39 LEU  QD1     3.48            #peak 72
 30 ARG  HD2    39 LEU  QD1     3.53            #peak 73
 39 LEU  H      39 LEU  QD1     4.09            #peak 75
 30 ARG  HA     39 LEU  QD1     3.62            #peak 77
 34 LYS  H      39 LEU  QD1     6.00            #peak 78
 24 ARG  HB2    24 ARG  HE      6.00            #peak 80
 25 ASN  HB3    26 GLY  H       4.30            #peak 90
 25 ASN  H      25 ASN  HB3     3.75            #peak 92
 38 GLY  H      38 GLY  QA      2.72            #peak 97
 13 GLU  HG3    14 SER  H       5.57            #peak 106
 13 GLU  H      13 GLU  HG3     4.18            #peak 108
 30 ARG  HB2    31 ALA  H       3.73            #peak 110
 30 ARG  H      30 ARG  HB2     2.99            #peak 112
 30 ARG  HB2    30 ARG  HE      3.32            #peak 113
 27 VAL  HA     30 ARG  HB2     3.55            #peak 116
 37 CYSS HB3    39 LEU  QD1     3.79            #peak 121
 19 CYSS HB3    37 CYSS HB3     3.05            #peak 126
  6 ARG  H       6 ARG  HD2     4.17            #peak 133
  6 ARG  HD2    33 CYSS HA      4.31            #peak 137
  6 ARG  QB      6 ARG  HD2     4.12            #peak 141
 30 ARG  H      31 ALA  H       3.22            #peak 146
 28 LYS  HA     31 ALA  H       4.04            #peak 150
 30 ARG  HB3    31 ALA  H       4.04            #peak 153
 31 ALA  H      32 ASN  H       2.99            #peak 156
 31 ALA  H      33 CYSS H       4.66            #peak 158
  9 GLY  H      10 HIS  H       4.06            #peak 161
  8 HIS  HB2     9 GLY  H       3.87            #peak 162
  9 GLY  H       9 GLY  HA2     2.94            #peak 165
  8 HIS  HB3     9 GLY  H       3.68            #peak 167
 39 LEU  HB3    39 LEU  QD1     3.32            #peak 168
 39 LEU  H      39 LEU  HB3     3.74            #peak 174
 12 CYSS HB3    33 CYSS HB2     3.69            #peak 178
 12 CYSS HB3    36 THR  H       5.13            #peak 179
 12 CYSS HB3    36 THR  HA      4.66            #peak 180
 12 CYSS HB3    36 THR  HB      3.09            #peak 184
 11 ILE  HA     15 PHE  H       4.82            #peak 188
 15 PHE  H      36 THR  QG2     4.83            #peak 195
 13 GLU  HA     15 PHE  H       4.53            #peak 196
 14 SER  H      15 PHE  H       3.12            #peak 203
 13 GLU  HB3    14 SER  H       3.60            #peak 212
 30 ARG  HB2    30 ARG  HD3     4.11            #peak 216
 30 ARG  H      30 ARG  HD3     5.46            #peak 218
 30 ARG  HB3    30 ARG  HD3     3.99            #peak 223
 23 GLY  HA2    26 GLY  H       4.39            #peak 228
 23 GLY  H      26 GLY  H       4.60            #peak 231
 21 ASP  QB     26 GLY  H       3.69            #peak 232
 24 ARG  HA     26 GLY  H       4.65            #peak 234
 22 SER  H      26 GLY  H       5.80            #peak 237
 26 GLY  H      28 LYS  H       4.10            #peak 238
 26 GLY  H      27 VAL  QG1     4.56            #peak 240
 34 LYS  HG3    34 LYS  QE      3.72            #peak 250
 34 LYS  HA     34 LYS  HG3     3.29            #peak 251
 34 LYS  H      34 LYS  HG3     4.21            #peak 256
  1 ALA  HA      2 ALA  H       3.44            #peak 260
 18 PHE  H      18 PHE  QE      6.00            #peak 267
 31 ALA  H      32 ASN  QB      4.71            #peak 270
 31 ALA  QB     32 ASN  QB      3.93            #peak 275
  7 ALA  H      32 ASN  QB      3.43            #peak 276
 32 ASN  H      32 ASN  QB      2.78            #peak 281
 32 ASN  QB     33 CYSS H       3.73            #peak 286
 28 LYS  HG2    29 LEU  H       4.99            #peak 292
 28 LYS  HA     28 LYS  HG2     3.07            #peak 293
 27 VAL  HA     28 LYS  HG2     5.36            #peak 295
 28 LYS  H      28 LYS  HG2     3.77            #peak 297
 20 LYS  H      20 LYS  HB3     3.07            #peak 304
 35 LYS  QG     36 THR  H       4.32            #peak 310
 35 LYS  HA     35 LYS  QG      2.99            #peak 311
 37 CYSS H      39 LEU  QD1     5.15            #peak 319
 37 CYSS H      37 CYSS HB3     3.89            #peak 320
 33 CYSS HB2    37 CYSS H       4.82            #peak 322
 36 THR  H      37 CYSS H       3.45            #peak 323
 37 CYSS H      38 GLY  H       3.26            #peak 325
 34 LYS  HA     37 CYSS H       4.60            #peak 328
 35 LYS  H      37 CYSS H       4.67            #peak 329
 33 CYSS HB3    37 CYSS H       4.17            #peak 332
 35 LYS  QG     35 LYS  QE      3.22            #peak 334
 23 GLY  HA2    24 ARG  H       2.89            #peak 348
 10 HIS  H      11 ILE  QD1     5.35            #peak 356
  8 HIS  H       8 HIS  HD2     5.26            #peak 364
 26 GLY  H      27 VAL  H       2.96            #peak 378
 27 VAL  H      30 ARG  H       5.29            #peak 381
 27 VAL  H      27 VAL  QG2     3.95            #peak 383
 27 VAL  H      28 LYS  H       3.09            #peak 390
 18 PHE  HB3    21 ASP  H       5.14            #peak 394
 18 PHE  H      18 PHE  HB3     3.96            #peak 397
 29 LEU  HG     30 ARG  H       4.66            #peak 407
 30 ARG  H      30 ARG  HE      5.30            #peak 408
 26 GLY  HA3    30 ARG  H       4.54            #peak 414
 30 ARG  H      30 ARG  HB3     3.48            #peak 417
 26 GLY  HA2    30 ARG  H       5.33            #peak 418
 30 ARG  H      30 ARG  HD2     5.56            #peak 419
 28 LYS  H      30 ARG  H       4.83            #peak 421
 30 ARG  H      32 ASN  H       4.69            #peak 423
 18 PHE  HB2    29 LEU  HG      4.29            #peak 430
 20 LYS  HB3    21 ASP  H       4.53            #peak 433
 20 LYS  HG2    21 ASP  H       5.56            #peak 443
 24 ARG  HB3    24 ARG  HE      5.09            #peak 454
 19 CYSS HA     21 ASP  H       3.99            #peak 457
 21 ASP  QB     26 GLY  HA2     3.27            #peak 460
 22 SER  H      22 SER  HB3     3.46            #peak 469
  4 SER  H      34 LYS  HB2     4.89            #peak 472
 34 LYS  HB2    35 LYS  H       3.74            #peak 476
 34 LYS  H      34 LYS  HB2     2.94            #peak 480
 12 CYSS H      12 CYSS HB3     3.65            #peak 487
 12 CYSS H      36 THR  QG2     5.43            #peak 491
  9 GLY  HA2    12 CYSS H       5.76            #peak 495
 12 CYSS H      14 SER  H       5.02            #peak 497
 12 CYSS H      13 GLU  H       3.31            #peak 501
 16 LYS  HG3    16 LYS  QE      4.07            #peak 510
 13 GLU  HA     16 LYS  HG3     5.39            #peak 512
 16 LYS  HG3    17 SER  H       4.14            #peak 513
 16 LYS  H      16 LYS  HG3     3.49            #peak 514
 27 VAL  HA     30 ARG  HE      3.92            #peak 531
 30 ARG  HA     30 ARG  HE      5.98            #peak 534
 27 VAL  QG1    30 ARG  HE      4.77            #peak 535
 25 ASN  HA     25 ASN  HD21    6.00            #peak 536
 25 ASN  HA     25 ASN  HB3     2.98            #peak 537
 25 ASN  HA     29 LEU  H       4.95            #peak 540
 25 ASN  HA     25 ASN  HD22    5.02            #peak 542
 25 ASN  HA     28 LYS  QB      3.31            #peak 543
 25 ASN  HA     28 LYS  H       4.08            #peak 544
 25 ASN  HA     25 ASN  HB2     2.85            #peak 545
 33 CYSS HB2    36 THR  H       6.00            #peak 549
 33 CYSS HB2    36 THR  HB      3.89            #peak 553
 33 CYSS H      33 CYSS HB2     3.19            #peak 559
 30 ARG  HG3    37 CYSS HB3     3.94            #peak 561
 30 ARG  HG3    30 ARG  HD3     2.94            #peak 563
 30 ARG  H      30 ARG  HG3     3.87            #peak 564
  7 ALA  QB     33 CYSS HA      5.62            #peak 568
 30 ARG  HA     30 ARG  HG3     2.93            #peak 571
  7 ALA  QB     33 CYSS H       4.27            #peak 572
 11 ILE  HA     11 ILE  HG13    3.45            #peak 593
 11 ILE  H      11 ILE  HG13    3.64            #peak 596
 32 ASN  QB     32 ASN  HD21    3.61            #peak 600
 28 LYS  HA     32 ASN  HD21    5.05            #peak 605
 32 ASN  HA     32 ASN  HD21    5.00            #peak 606
 35 LYS  HA     35 LYS  QE      4.64            #peak 612
 35 LYS  HA     38 GLY  H       4.05            #peak 615
 35 LYS  HA     40 CYSS H       4.22            #peak 621
 35 LYS  HA     35 LYS  HD2     4.45            #peak 623
 27 VAL  H      27 VAL  HB      2.83            #peak 624
 24 ARG  HA     27 VAL  HB      3.19            #peak 627
 27 VAL  HB     28 LYS  H       3.04            #peak 629
 28 LYS  HG3    32 ASN  HD21    5.94            #peak 634
 28 LYS  HA     28 LYS  HG3     3.92            #peak 638
 28 LYS  HG3    32 ASN  HD22    4.62            #peak 641
 36 THR  HA     38 GLY  H       4.39            #peak 646
  4 SER  H       4 SER  HB2     3.96            #peak 653
 28 LYS  HG2    28 LYS  QD      2.40            #peak 658
 28 LYS  QD     32 ASN  HD21    5.94            #peak 660
 28 LYS  HG3    28 LYS  QD      3.00            #peak 661
  6 ARG  H      32 ASN  QB      4.51            #peak 667
  6 ARG  H       6 ARG  HA      2.85            #peak 672
  5 ASP  H       6 ARG  H       5.23            #peak 674
  6 ARG  H      33 CYSS HA      4.05            #peak 675
  6 ARG  H       6 ARG  HD3     4.16            #peak 676
  6 ARG  H      34 LYS  H       4.10            #peak 681
 24 ARG  HA     24 ARG  HG2     3.96            #peak 687
 15 PHE  HA     15 PHE  QE      5.47            #peak 702
 29 LEU  H      31 ALA  H       4.67            #peak 705
 29 LEU  H      32 ASN  QB      6.00            #peak 706
 29 LEU  H      30 ARG  H       3.26            #peak 708
 29 LEU  H      29 LEU  HG      3.58            #peak 709
 28 LYS  HG3    29 LEU  H       5.41            #peak 712
 26 GLY  HA3    29 LEU  H       3.93            #peak 715
  6 ARG  HA      6 ARG  HE      6.00            #peak 726
 31 ALA  H      31 ALA  QB      2.80            #peak 730
 30 ARG  H      31 ALA  QB      4.64            #peak 732
 31 ALA  QB     32 ASN  HD21    3.97            #peak 733
 31 ALA  QB     32 ASN  H       3.20            #peak 736
 31 ALA  QB     32 ASN  HD22    3.86            #peak 737
 29 LEU  HA     31 ALA  QB      4.71            #peak 738
 31 ALA  QB     33 CYSS H       4.86            #peak 739
  6 ARG  H       6 ARG  HG3     4.31            #peak 741
  6 ARG  HG3     7 ALA  H       4.27            #peak 749
 10 HIS  H      10 HIS  HB2     3.31            #peak 750
 10 HIS  HB2    11 ILE  H       4.58            #peak 753
  3 CYSS H       3 CYSS HB3     3.23            #peak 758
  3 CYSS H       4 SER  H       4.54            #peak 761
 15 PHE  H      15 PHE  HB3     3.72            #peak 767
 15 PHE  HB3    18 PHE  QD      3.92            #peak 770
 15 PHE  HB3    18 PHE  HB2     3.61            #peak 775
 15 PHE  H      16 LYS  HA      5.27            #peak 777
 16 LYS  HA     16 LYS  QE      4.64            #peak 780
 16 LYS  HA     19 CYSS H       3.94            #peak 781
 16 LYS  HA     16 LYS  HG2     3.97            #peak 786
  5 ASP  HB3     6 ARG  H       4.33            #peak 788
 22 SER  HA     23 GLY  H       3.44            #peak 796
  2 ALA  HA      3 CYSS H       2.99            #peak 801
 18 PHE  HA     21 ASP  H       5.67            #peak 806
 18 PHE  HA     18 PHE  QD      5.67            #peak 808
 20 LYS  HA     20 LYS  HG3     3.47            #peak 815
 20 LYS  HA     20 LYS  HG2     4.04            #peak 817
 20 LYS  HA     20 LYS  QE      4.78            #peak 819
 20 LYS  HA     20 LYS  QD      4.51            #peak 820
 11 ILE  HA     11 ILE  QG2     3.24            #peak 822
 10 HIS  H      11 ILE  QG2     5.99            #peak 824
 11 ILE  QG2    12 CYSS H       3.61            #peak 825
 11 ILE  QG2    15 PHE  HB2     4.62            #peak 828
 11 ILE  H      11 ILE  QG2     3.68            #peak 829
 11 ILE  QG2    14 SER  H       5.41            #peak 833
  4 SER  H      34 LYS  HB3     3.80            #peak 844
 28 LYS  HA     30 ARG  H       4.89            #peak 852
 28 LYS  HA     28 LYS  QD      4.32            #peak 855
 22 SER  HB3    23 GLY  H       5.22            #peak 865
 22 SER  HB2    23 GLY  H       4.66            #peak 869
 23 GLY  H      27 VAL  QG1     4.78            #peak 873
 10 HIS  H      10 HIS  HD2     5.37            #peak 874
 10 HIS  HA     10 HIS  HD2     6.00            #peak 878
 39 LEU  HB2    39 LEU  QD1     3.17            #peak 880
 39 LEU  H      39 LEU  HB2     3.01            #peak 887
 39 LEU  HB2    40 CYSS H       4.03            #peak 888
 24 ARG  HB2    24 ARG  QD      3.96            #peak 889
 24 ARG  HB3    24 ARG  QD      3.65            #peak 895
 37 CYSS HB3    38 GLY  H       5.09            #peak 901
 36 THR  H      38 GLY  H       5.54            #peak 904
  7 ALA  H      33 CYSS HA      4.85            #peak 909
 38 GLY  H      39 LEU  QD2     5.43            #peak 910
 37 CYSS HB2    38 GLY  H       4.50            #peak 911
 36 THR  HB     38 GLY  H       5.25            #peak 915
  8 HIS  H       8 HIS  HB2     3.12            #peak 916
 30 ARG  H      30 ARG  HG2     3.03            #peak 927
 19 CYSS HA     30 ARG  HG2     4.28            #peak 928
 30 ARG  HG2    30 ARG  HE      4.14            #peak 929
 30 ARG  HA     30 ARG  HG2     3.46            #peak 934
  6 ARG  HA      6 ARG  HD2     5.36            #peak 935
  7 ALA  HA     32 ASN  QB      4.57            #peak 937
  6 ARG  HA      6 ARG  HG3     4.13            #peak 941
 16 LYS  HA     36 THR  QG2     4.02            #peak 943
  6 ARG  HA      6 ARG  HD3     4.74            #peak 944
  6 ARG  HA      6 ARG  HG2     3.49            #peak 945
  6 ARG  HA      6 ARG  QB      2.95            #peak 946
 21 ASP  H      21 ASP  QB      2.68            #peak 949
 21 ASP  QB     23 GLY  H       4.13            #peak 951
 21 ASP  QB     22 SER  H       3.70            #peak 956
 20 LYS  H      21 ASP  QB      4.28            #peak 957
 39 LEU  HA     39 LEU  QD1     4.22            #peak 969
 39 LEU  HA     39 LEU  QD2     3.01            #peak 973
 39 LEU  HA     39 LEU  HG      4.00            #peak 974
 12 CYSS H      12 CYSS HB2     2.96            #peak 978
 12 CYSS HB2    33 CYSS HB3     3.76            #peak 985
 12 CYSS HB2    13 GLU  H       3.30            #peak 986
 14 SER  HB3    15 PHE  H       4.31            #peak 987
 14 SER  H      14 SER  HB3     3.60            #peak 991
 16 LYS  H      16 LYS  QE      5.96            #peak 997
 16 LYS  HG2    16 LYS  QE      3.86            #peak 998
 16 LYS  QB     16 LYS  QE      4.26            #peak 999
 13 GLU  HB2    14 SER  H       3.57            #peak 1004
 13 GLU  H      13 GLU  HB2     2.97            #peak 1006
  3 CYSS HB3    40 CYSS HA      4.86            #peak 1008
 20 LYS  H      20 LYS  HG3     3.72            #peak 1017
 34 LYS  H      34 LYS  HG2     3.38            #peak 1030
 33 CYSS H      34 LYS  HG2     4.59            #peak 1031
 18 PHE  QD     21 ASP  QB      4.15            #peak 1036
 18 PHE  H      18 PHE  QD      3.96            #peak 1038
 32 ASN  HA     32 ASN  QB      2.97            #peak 1042
  6 ARG  H      32 ASN  HA      3.88            #peak 1044
  6 ARG  HG3    32 ASN  HA      3.83            #peak 1045
  6 ARG  HG2    32 ASN  HA      4.04            #peak 1047
  6 ARG  QB     32 ASN  HA      3.74            #peak 1050
  7 ALA  H      32 ASN  HA      5.18            #peak 1051
 34 LYS  HB2    34 LYS  QE      4.96            #peak 1055
 34 LYS  QD     34 LYS  QE      2.93            #peak 1059
 35 LYS  HB2    35 LYS  QG      2.40            #peak 1064
 35 LYS  HB2    35 LYS  QE      4.83            #peak 1065
 35 LYS  HB2    36 THR  H       4.07            #peak 1066
 35 LYS  HA     35 LYS  HB2     2.94            #peak 1067
  5 ASP  H      35 LYS  HB2     4.29            #peak 1070
 35 LYS  H      35 LYS  HB2     3.06            #peak 1071
 27 VAL  QG2    28 LYS  HA      3.86            #peak 1078
 27 VAL  HA     27 VAL  QG2     3.05            #peak 1080
 27 VAL  QG2    28 LYS  H       3.82            #peak 1081
 35 LYS  HB2    35 LYS  HD3     3.42            #peak 1088
  5 ASP  H      35 LYS  HD3     5.12            #peak 1090
 35 LYS  H      35 LYS  HD3     6.00            #peak 1091
 13 GLU  HG3    36 THR  QG2     4.98            #peak 1108
 12 CYSS HB3    36 THR  QG2     3.19            #peak 1109
 36 THR  QG2    37 CYSS H       4.07            #peak 1111
 33 CYSS HB2    36 THR  QG2     4.27            #peak 1113
 36 THR  H      36 THR  QG2     4.40            #peak 1114
 36 THR  HA     36 THR  QG2     2.93            #peak 1115
 36 THR  QG2    38 GLY  H       5.82            #peak 1116
 12 CYSS HB2    36 THR  QG2     3.72            #peak 1118
 16 LYS  QD     36 THR  QG2     3.55            #peak 1120
 16 LYS  HG2    36 THR  QG2     3.92            #peak 1124
 33 CYSS HB3    36 THR  QG2     3.92            #peak 1125
 20 LYS  HB3    20 LYS  QZ      5.96            #peak 1135
 20 LYS  HG2    20 LYS  QZ      5.61            #peak 1139
  5 ASP  H      36 THR  H       6.00            #peak 1144
  4 SER  HB2     5 ASP  H       3.46            #peak 1145
  4 SER  H       5 ASP  H       4.64            #peak 1148
  5 ASP  H      35 LYS  H       4.75            #peak 1152
  5 ASP  H       6 ARG  HD3     4.35            #peak 1154
 17 SER  HB3    18 PHE  H       4.45            #peak 1161
 16 LYS  H      18 PHE  H       4.95            #peak 1173
 17 SER  HB2    18 PHE  H       4.60            #peak 1175
 10 HIS  H      11 ILE  H       3.19            #peak 1177
 11 ILE  H      12 CYSS H       3.31            #peak 1178
  7 ALA  QB     11 ILE  H       4.46            #peak 1184
 11 ILE  H      14 SER  H       5.48            #peak 1188
 29 LEU  HB2    30 ARG  H       3.57            #peak 1193
 26 GLY  HA3    29 LEU  HB2     3.67            #peak 1196
 19 CYSS HA     29 LEU  HB2     3.88            #peak 1198
 29 LEU  HA     29 LEU  HB2     3.01            #peak 1200
 24 ARG  HA     27 VAL  H       3.89            #peak 1207
 24 ARG  HA     24 ARG  HE      6.00            #peak 1208
 24 ARG  HA     24 ARG  QD      4.23            #peak 1211
 18 PHE  HB3    19 CYSS H       4.82            #peak 1219
 19 CYSS H      21 ASP  H       4.42            #peak 1220
 19 CYSS H      19 CYSS HB3     3.38            #peak 1225
 18 PHE  H      19 CYSS H       3.02            #peak 1226
 18 PHE  HB2    19 CYSS H       3.80            #peak 1229
 19 CYSS H      19 CYSS HB2     3.60            #peak 1232
 21 ASP  H      26 GLY  HA3     4.53            #peak 1233
 22 SER  H      22 SER  HB2     3.59            #peak 1240
 34 LYS  HA     39 LEU  QD1     3.68            #peak 1242
 34 LYS  HA     36 THR  H       6.00            #peak 1247
 34 LYS  HA     34 LYS  HG2     3.56            #peak 1248
 34 LYS  HA     34 LYS  QE      4.90            #peak 1249
 34 LYS  HA     34 LYS  QD      3.42            #peak 1252
 34 LYS  HA     37 CYSS HB2     3.54            #peak 1253
 34 LYS  HA     34 LYS  HB3     2.98            #peak 1255
 33 CYSS H      34 LYS  HA      5.34            #peak 1258
  3 CYSS H       3 CYSS HB2     3.34            #peak 1260
  3 CYSS HB2     4 SER  H       4.10            #peak 1261
  7 ALA  QB     32 ASN  HD21    6.00            #peak 1267
 20 LYS  H      20 LYS  HG2     3.43            #peak 1272
 16 LYS  HG3    16 LYS  QD      2.40            #peak 1277
 16 LYS  QD     17 SER  H       5.38            #peak 1282
 13 GLU  HA     13 GLU  HG3     3.77            #peak 1286
 13 GLU  HA     36 THR  QG2     3.32            #peak 1291
 13 GLU  HA     13 GLU  HG2     3.68            #peak 1295
 15 PHE  H      15 PHE  HB2     2.89            #peak 1298
 15 PHE  HB2    18 PHE  QD      5.64            #peak 1301
 24 ARG  HB2    25 ASN  H       3.95            #peak 1309
 25 ASN  H      26 GLY  H       3.09            #peak 1311
 23 GLY  HA2    25 ASN  H       4.41            #peak 1312
 25 ASN  H      27 VAL  H       4.77            #peak 1313
 24 ARG  HG2    25 ASN  H       4.27            #peak 1315
 25 ASN  H      25 ASN  HD22    4.81            #peak 1319
 25 ASN  H      28 LYS  H       5.79            #peak 1322
 24 ARG  HG3    25 ASN  H       4.51            #peak 1326
 12 CYSS HB3    33 CYSS HA      4.48            #peak 1329
 32 ASN  QB     33 CYSS HA      4.70            #peak 1330
 33 CYSS HA     36 THR  H       4.97            #peak 1333
 11 ILE  HA     11 ILE  QD1     3.67            #peak 1346
  8 HIS  H      11 ILE  QD1     4.15            #peak 1347
 11 ILE  QD1    12 CYSS H       5.20            #peak 1349
  8 HIS  HB2    11 ILE  QD1     5.93            #peak 1351
 11 ILE  H      11 ILE  QD1     4.36            #peak 1354
 11 ILE  QD1    15 PHE  QD      3.69            #peak 1356
 11 ILE  QD1    14 SER  H       5.68            #peak 1357
 12 CYSS HA     29 LEU  QQD     4.34            #peak 1358
 11 ILE  QD1    32 ASN  HD22    5.76            #peak 1360
 35 LYS  H      35 LYS  QG      4.05            #peak 1371
 35 LYS  H      35 LYS  QE      5.23            #peak 1373
 35 LYS  H      36 THR  H       3.06            #peak 1375
 35 LYS  H      36 THR  HA      5.23            #peak 1377
 34 LYS  HG2    35 LYS  H       4.64            #peak 1378
 33 CYSS HA     35 LYS  H       4.39            #peak 1383
 27 VAL  HA     31 ALA  H       5.05            #peak 1394
 27 VAL  HA     30 ARG  H       4.26            #peak 1397
 27 VAL  HA     29 LEU  H       5.72            #peak 1400
 27 VAL  HA     30 ARG  HB3     4.83            #peak 1403
 27 VAL  H      28 LYS  QB      4.66            #peak 1410
 28 LYS  HA     28 LYS  QB      2.87            #peak 1415
 28 LYS  H      28 LYS  QB      2.70            #peak 1417
 28 LYS  QB     32 ASN  HD22    4.50            #peak 1418
 40 CYSS H      40 CYSS HB2     3.37            #peak 1426
  4 SER  HA     35 LYS  QG      3.81            #peak 1428
  3 CYSS H       4 SER  HA      6.00            #peak 1430
  4 SER  HA     35 LYS  HB2     3.37            #peak 1432
  4 SER  HA     35 LYS  HD3     4.07            #peak 1433
  4 SER  HA      5 ASP  H       2.77            #peak 1434
  4 SER  HA     35 LYS  H       4.86            #peak 1435
  4 SER  HA     35 LYS  HB3     3.83            #peak 1437
  4 SER  HA     35 LYS  HD2     3.99            #peak 1439
 31 ALA  HA     34 LYS  QD      5.16            #peak 1446
 34 LYS  H      34 LYS  QD      4.07            #peak 1449
 38 GLY  QA     39 LEU  QD2     5.24            #peak 1451
 37 CYSS HB3    39 LEU  QD2     4.67            #peak 1452
 39 LEU  HB3    39 LEU  QD2     3.52            #peak 1453
 30 ARG  HD3    39 LEU  QD2     5.11            #peak 1454
 39 LEU  HB2    39 LEU  QD2     3.93            #peak 1455
 37 CYSS HB2    39 LEU  QD2     4.89            #peak 1459
 39 LEU  H      39 LEU  QD2     4.35            #peak 1462
 39 LEU  QD2    40 CYSS H       5.48            #peak 1463
 24 ARG  HB3    25 ASN  H       3.90            #peak 1469
 17 SER  H      18 PHE  QD      4.54            #peak 1477
 17 SER  H      17 SER  HB3     3.48            #peak 1478
 17 SER  H      18 PHE  H       3.18            #peak 1479
 17 SER  H      19 CYSS H       4.90            #peak 1480
  7 ALA  QB      8 HIS  H       3.22            #peak 1489
  6 ARG  HD2     7 ALA  QB      5.43            #peak 1490
  7 ALA  QB     12 CYSS H       4.01            #peak 1491
  6 ARG  HD3     7 ALA  QB      5.58            #peak 1495
  7 ALA  H       7 ALA  QB      2.81            #peak 1497
 11 ILE  HA     15 PHE  QD      4.19            #peak 1498
 15 PHE  H      15 PHE  QD      4.00            #peak 1499
 11 ILE  QG2    15 PHE  QD      3.71            #peak 1502
 14 SER  HB3    15 PHE  QD      4.39            #peak 1503
 15 PHE  HA     15 PHE  QD      5.01            #peak 1507
 15 PHE  QD     18 PHE  HB2     5.12            #peak 1508
 14 SER  H      15 PHE  QD      4.71            #peak 1509
 14 SER  HB2    15 PHE  QD      4.09            #peak 1510
 30 ARG  HB3    30 ARG  HE      3.82            #peak 1515
 37 CYSS H      37 CYSS HB2     2.85            #peak 1524
  6 ARG  HD3    33 CYSS HA      4.46            #peak 1538
  6 ARG  QB      6 ARG  HD3     4.01            #peak 1542
 31 ALA  HA     34 LYS  QE      4.15            #peak 1546
  9 GLY  HA3    10 HIS  H       2.83            #peak 1564
 12 CYSS HB2    36 THR  HB      3.74            #peak 1566
  9 GLY  HA3    11 ILE  H       4.32            #peak 1567
 33 CYSS HA     36 THR  HB      4.64            #peak 1568
 10 HIS  H      10 HIS  HB3     3.76            #peak 1572
 10 HIS  HB3    11 ILE  H       4.64            #peak 1575
  9 GLY  HA2    10 HIS  H       3.51            #peak 1580
 15 PHE  HA     18 PHE  QE      4.96            #peak 1586
  5 ASP  HA     36 THR  H       5.83            #peak 1587
 15 PHE  HA     17 SER  H       4.14            #peak 1591
 15 PHE  H      16 LYS  H       2.98            #peak 1595
 14 SER  HA     16 LYS  H       4.58            #peak 1596
 15 PHE  HB3    16 LYS  H       5.02            #peak 1598
 16 LYS  H      36 THR  QG2     4.42            #peak 1601
 16 LYS  H      16 LYS  QD      4.22            #peak 1603
 13 GLU  HA     16 LYS  H       4.01            #peak 1604
 15 PHE  HB2    16 LYS  H       4.47            #peak 1605
 16 LYS  H      17 SER  H       3.52            #peak 1606
 16 LYS  H      29 LEU  QQD     4.85            #peak 1609
 26 GLY  H      26 GLY  HA2     2.79            #peak 1614
 26 GLY  HA2    27 VAL  H       3.46            #peak 1615
 26 GLY  HA2    27 VAL  HA      5.00            #peak 1619
 26 GLY  HA2    28 LYS  H       5.16            #peak 1622
  5 ASP  HA      6 ARG  H       2.76            #peak 1623
  5 ASP  HA     33 CYSS HA      3.39            #peak 1626
  5 ASP  HA     35 LYS  H       3.56            #peak 1627
  5 ASP  HA      7 ALA  H       4.74            #peak 1629
  5 ASP  HA     34 LYS  H       3.50            #peak 1630
 21 ASP  H      22 SER  H       4.90            #peak 1633
 22 SER  H      23 GLY  H       3.45            #peak 1636
  2 ALA  H       2 ALA  QB      3.59            #peak 1641
  2 ALA  QB      3 CYSS H       4.13            #peak 1642
 30 ARG  HB2    30 ARG  HD2     4.23            #peak 1646
 30 ARG  HD2    30 ARG  HE      2.84            #peak 1649
 30 ARG  HD2    39 LEU  QD2     4.36            #peak 1653
 30 ARG  HB3    30 ARG  HD2     3.14            #peak 1654
 18 PHE  H      18 PHE  HB2     2.90            #peak 1663
 20 LYS  H      21 ASP  H       3.01            #peak 1669
 19 CYSS HB3    20 LYS  H       3.65            #peak 1673
 19 CYSS H      20 LYS  H       3.40            #peak 1676
 20 LYS  H      20 LYS  QD      4.17            #peak 1681
 29 LEU  HB3    29 LEU  QQD     3.34            #peak 1683
 18 PHE  HB3    29 LEU  QQD     3.51            #peak 1684
 29 LEU  QQD    30 ARG  H       4.65            #peak 1685
 21 ASP  H      29 LEU  QQD     5.34            #peak 1687
 29 LEU  QQD    33 CYSS HB2     3.66            #peak 1688
 29 LEU  QQD    32 ASN  HD21    6.00            #peak 1689
 29 LEU  H      29 LEU  QQD     3.88            #peak 1690
 15 PHE  HB3    29 LEU  QQD     3.17            #peak 1691
 26 GLY  HA3    29 LEU  QQD     4.28            #peak 1694
 29 LEU  HB2    29 LEU  QQD     3.50            #peak 1695
 19 CYSS H      29 LEU  QQD     4.04            #peak 1696
 15 PHE  HB2    29 LEU  QQD     3.01            #peak 1697
 25 ASN  H      29 LEU  QQD     6.00            #peak 1698
 17 SER  H      29 LEU  QQD     6.00            #peak 1700
 26 GLY  HA2    29 LEU  QQD     3.47            #peak 1702
 18 PHE  HB2    29 LEU  QQD     3.21            #peak 1703
 29 LEU  QQD    32 ASN  H       4.81            #peak 1705
 29 LEU  HA     29 LEU  QQD     2.83            #peak 1706
 29 LEU  QQD    33 CYSS H       4.74            #peak 1707
 20 LYS  H      20 LYS  QE      6.00            #peak 1713
 19 CYSS HB3    37 CYSS HA      3.89            #peak 1721
 19 CYSS HB2    37 CYSS HA      4.65            #peak 1725
 28 LYS  H      28 LYS  QE      6.00            #peak 1726
 28 LYS  H      28 LYS  HG3     4.62            #peak 1734
 28 LYS  H      28 LYS  QD      4.72            #peak 1735
 28 LYS  H      29 LEU  H       3.18            #peak 1736
 26 GLY  HA3    28 LYS  H       4.60            #peak 1739
 24 ARG  HA     28 LYS  H       4.50            #peak 1740
 23 GLY  HA3    25 ASN  H       4.96            #peak 1749
 23 GLY  HA3    24 ARG  H       3.14            #peak 1751
 10 HIS  HA     12 CYSS H       4.42            #peak 1753
 10 HIS  HA     10 HIS  HB3     2.98            #peak 1757
 10 HIS  HA     13 GLU  H       4.27            #peak 1760
 10 HIS  HB2    10 HIS  HE1     5.16            #peak 1762
 35 LYS  HB3    35 LYS  QZ      5.32            #peak 1774
 37 CYSS HB3    39 LEU  HG      3.87            #peak 1777
 38 GLY  H      39 LEU  HG      5.16            #peak 1781
 37 CYSS HB2    39 LEU  HG      3.66            #peak 1784
 39 LEU  H      39 LEU  HG      3.23            #peak 1786
 39 LEU  HG     40 CYSS H       5.04            #peak 1787
  8 HIS  H       8 HIS  HB3     3.75            #peak 1788
 30 ARG  HA     30 ARG  HD3     3.77            #peak 1797
 30 ARG  HA     33 CYSS HB2     4.43            #peak 1800
 30 ARG  HA     37 CYSS HB2     4.06            #peak 1804
 30 ARG  HA     30 ARG  HD2     4.48            #peak 1805
 30 ARG  HA     32 ASN  H       5.04            #peak 1808
 30 ARG  HA     33 CYSS H       4.33            #peak 1809
 21 ASP  HA     23 GLY  H       5.02            #peak 1811
 21 ASP  HA     21 ASP  QB      2.96            #peak 1812
 21 ASP  HA     22 SER  H       2.80            #peak 1813
 19 CYSS HB2    20 LYS  H       3.85            #peak 1819
 35 LYS  HA     39 LEU  H       4.55            #peak 1825
 38 GLY  H      39 LEU  H       3.08            #peak 1827
 34 LYS  HA     39 LEU  H       4.54            #peak 1829
 39 LEU  H      40 CYSS H       2.96            #peak 1833
 11 ILE  HA     14 SER  H       3.97            #peak 1834
 14 SER  H      16 LYS  H       4.95            #peak 1847
 13 GLU  HG2    14 SER  H       5.65            #peak 1851
 12 CYSS HA     15 PHE  H       4.04            #peak 1854
 11 ILE  QG2    12 CYSS HA      4.27            #peak 1856
 12 CYSS HA     14 SER  H       4.82            #peak 1859
 14 SER  HB2    15 PHE  H       3.76            #peak 1862
 14 SER  H      14 SER  HB2     3.12            #peak 1866
 16 LYS  HG2    17 SER  H       4.11            #peak 1873
 16 LYS  H      16 LYS  HG2     4.75            #peak 1874
 40 CYSS H      40 CYSS HB3     3.92            #peak 1884
 39 LEU  QD1    40 CYSS H       5.02            #peak 1885
 38 GLY  QA     40 CYSS H       4.01            #peak 1886
 39 LEU  HB3    40 CYSS H       4.15            #peak 1887
 25 ASN  HB2    26 GLY  H       3.67            #peak 1900
 25 ASN  H      25 ASN  HB2     3.02            #peak 1902
 25 ASN  HB2    25 ASN  HD22    3.41            #peak 1903
 34 LYS  HB3    34 LYS  HG3     3.00            #peak 1905
 34 LYS  HB3    34 LYS  QE      3.48            #peak 1909
 31 ALA  HA     34 LYS  HB3     5.11            #peak 1913
 34 LYS  H      34 LYS  HB3     3.54            #peak 1916
 12 CYSS HB3    33 CYSS HB3     3.05            #peak 1917
 33 CYSS HB3    36 THR  H       4.40            #peak 1920
 33 CYSS HB3    36 THR  HB      2.88            #peak 1925
 33 CYSS HB3    34 LYS  H       5.82            #peak 1928
 32 ASN  H      32 ASN  HD21    4.52            #peak 1933
 28 LYS  HA     32 ASN  H       4.75            #peak 1935
 32 ASN  H      32 ASN  HD22    3.90            #peak 1942
 32 ASN  H      33 CYSS H       2.87            #peak 1945
 11 ILE  HA     11 ILE  HG12    3.80            #peak 1946
 10 HIS  H      11 ILE  HG12    5.81            #peak 1947
 11 ILE  HG12   12 CYSS H       4.82            #peak 1948
 11 ILE  H      11 ILE  HG12    3.36            #peak 1951
 32 ASN  QB     32 ASN  HD22    3.04            #peak 1955
 28 LYS  HA     32 ASN  HD22    4.40            #peak 1959
  7 ALA  QB     32 ASN  HD22    4.37            #peak 1963
 29 LEU  HA     32 ASN  HD22    5.09            #peak 1966
 35 LYS  HB3    35 LYS  QG      2.58            #peak 1967
 35 LYS  HB3    36 THR  H       3.03            #peak 1969
  5 ASP  H      35 LYS  HB3     3.67            #peak 1973
 35 LYS  H      35 LYS  HB3     2.83            #peak 1974
 27 VAL  H      27 VAL  QG1     2.84            #peak 1980
 24 ARG  HA     27 VAL  QG1     3.47            #peak 1985
 25 ASN  H      27 VAL  QG1     6.00            #peak 1987
 27 VAL  HA     27 VAL  QG1     2.93            #peak 1988
 27 VAL  QG1    28 LYS  H       4.12            #peak 1990
 24 ARG  H      27 VAL  QG1     5.48            #peak 1992
 36 THR  HB     37 CYSS H       3.47            #peak 1993
 36 THR  H      36 THR  HB      2.88            #peak 1994
 35 LYS  H      36 THR  HB      5.28            #peak 1999
  4 SER  H       4 SER  HB3     4.06            #peak 2002
  4 SER  HB3     5 ASP  H       3.25            #peak 2003
 34 LYS  HG3    34 LYS  QZ      4.84            #peak 2006
 34 LYS  HB2    34 LYS  QZ      4.70            #peak 2007
 34 LYS  HG2    34 LYS  QZ      4.34            #peak 2008
 34 LYS  HB3    34 LYS  QZ      6.00            #peak 2012
 24 ARG  H      24 ARG  HG3     3.98            #peak 2023
 17 SER  H      17 SER  HB2     3.30            #peak 2028
 35 LYS  H      35 LYS  HD2     4.17            #peak 2037
 10 HIS  H      11 ILE  HB      6.00            #peak 2043
 11 ILE  HB     12 CYSS H       3.47            #peak 2044
 11 ILE  H      11 ILE  HB      2.95            #peak 2047
 29 LEU  HA     31 ALA  H       5.27            #peak 2052
 29 LEU  HA     32 ASN  QB      3.32            #peak 2053
 29 LEU  HA     29 LEU  HG      3.64            #peak 2055
 29 LEU  HA     33 CYSS HB2     3.82            #peak 2056
 29 LEU  HA     32 ASN  H       3.87            #peak 2062
 29 LEU  HA     33 CYSS H       4.00            #peak 2065
  6 ARG  QB     32 ASN  QB      4.39            #peak 2067
  6 ARG  H       6 ARG  QB      2.98            #peak 2068
  6 ARG  QB      6 ARG  HE      4.28            #peak 2069
  6 ARG  QB      7 ALA  H       3.37            #peak 2076
  6 ARG  HD2     7 ALA  H       4.23            #peak 2078
  6 ARG  HD3     7 ALA  H       4.20            #peak 2086
  6 ARG  HG2     7 ALA  H       4.49            #peak 2087
 24 ARG  H      24 ARG  HG2     3.59            #peak 2094
 24 ARG  H      24 ARG  QD      4.60            #peak 2095
 24 ARG  H      25 ASN  H       3.33            #peak 2097
 32 ASN  QB     34 LYS  H       6.00            #peak 2105
 33 CYSS HB2    34 LYS  H       5.55            #peak 2107
 34 LYS  H      36 THR  H       5.98            #peak 2108
  5 ASP  HB3    34 LYS  H       5.25            #peak 2110
 33 CYSS HA     34 LYS  H       3.27            #peak 2115
 34 LYS  H      35 LYS  H       3.48            #peak 2116
 32 ASN  H      34 LYS  H       5.46            #peak 2122
 33 CYSS H      34 LYS  H       3.47            #peak 2125
  3 CYSS HA      4 SER  H       2.87            #peak 2129
 15 PHE  H      16 LYS  QB      4.61            #peak 2142
 16 LYS  HA     16 LYS  QB      2.72            #peak 2144
 16 LYS  QB     36 THR  QG2     3.06            #peak 2146
 13 GLU  HA     16 LYS  QB      3.33            #peak 2148
 15 PHE  HB2    16 LYS  QB      6.00            #peak 2149
 16 LYS  QB     17 SER  H       3.54            #peak 2150
 16 LYS  H      16 LYS  QB      2.74            #peak 2151
 11 ILE  HA     13 GLU  H       4.69            #peak 2155
 12 CYSS HB3    13 GLU  H       3.97            #peak 2157
 13 GLU  H      15 PHE  H       4.25            #peak 2158
 13 GLU  H      13 GLU  HB3     3.29            #peak 2159
 13 GLU  H      36 THR  QG2     4.42            #peak 2163
 11 ILE  H      13 GLU  H       4.99            #peak 2164
  9 GLY  HA2    13 GLU  H       5.02            #peak 2166
 13 GLU  H      14 SER  H       2.95            #peak 2168
 13 GLU  H      13 GLU  HG2     4.18            #peak 2170
  5 ASP  HB2     6 ARG  H       4.51            #peak 2172
  5 ASP  H       5 ASP  HB2     2.94            #peak 2174
 33 CYSS H      33 CYSS HB3     3.96            #peak 2188
 20 LYS  HB2    21 ASP  H       5.15            #peak 2194
 20 LYS  H      20 LYS  HB2     3.77            #peak 2199
 20 LYS  HB2    20 LYS  QE      5.59            #peak 2200
 15 PHE  HB3    18 PHE  H       4.99            #peak 2203
 34 LYS  H      34 LYS  QE      6.00            #peak 2205
  5 ASP  HB2     7 ALA  H       4.69            #peak 2207
 32 ASN  H      34 LYS  HG3     6.00            #peak 2212
 27 VAL  QG1    28 LYS  HA      6.00            #peak 2218
 26 GLY  HA3    27 VAL  QG1     6.00            #peak 2219
  7 ALA  QB     32 ASN  QB      2.90            #peak 2222
 33 CYSS HB3    36 THR  HA      4.39            #peak 2224
 30 ARG  HD2    37 CYSS HA      5.09            #peak 2226
 12 CYSS HB2    16 LYS  QB      6.00            #peak 2228
  6 ARG  HD3    34 LYS  HG3     5.52            #peak 2234
  6 ARG  HD2    34 LYS  HG3     5.63            #peak 2235
  5 ASP  HB3    33 CYSS HA      4.54            #peak 2236
  8 HIS  HB3    11 ILE  QD1     4.49            #peak 2240
  7 ALA  H       8 HIS  H       2.95            #peak 2079
  6 ARG  H       7 ALA  H       0.00
  6 ARG  H       6 ARG  HA      2.52            #peak 2214
  7 ALA  HA      8 HIS  H       0.00
 19 CYSS HA     21 ASP  QB      3.40            #peak 950
 21 ASP  QB     26 GLY  HA2     0.00
 11 ILE  QD1    16 LYS  HA      4.00            #peak 2230
 16 LYS  HA     29 LEU  QQD     0.00
  5 ASP  H       5 ASP  HB3     3.90            #peak 2204
  5 ASP  H       6 ARG  HD3     0.00
  5 ASP  H       6 ARG  HD2     0.00
 21 ASP  QB     22 SER  HB2     3.43            #peak 1102
 21 ASP  QB     26 GLY  HA3     0.00
 29 LEU  H      29 LEU  HB2     2.67            #peak 1414
 28 LYS  QB     29 LEU  H       0.00
 30 ARG  H      30 ARG  HB3     3.20            #peak 2210
 29 LEU  HB3    30 ARG  H       0.00
 34 LYS  HA     34 LYS  HB3     2.74            #peak 1444
 34 LYS  HA     34 LYS  QD      0.00
 37 CYSS H      37 CYSS HB3     3.13            #peak 1789
  8 HIS  HB3     9 GLY  H       0.00
 19 CYSS H      19 CYSS HB2     2.95            #peak 1664
 18 PHE  HB2    19 CYSS H       0.00
 33 CYSS HB3    37 CYSS H       4.26            #peak 2239
 19 CYSS HB3    37 CYSS H       0.00
 30 ARG  HB2    30 ARG  HD2     3.83            #peak 120
 19 CYSS HB2    30 ARG  HB2     0.00
 16 LYS  HA     16 LYS  QD      3.73            #peak 744
  6 ARG  HA      6 ARG  HG3     0.00
 24 ARG  H      24 ARG  HB3     2.76            #peak 1553
 24 ARG  H      24 ARG  HB2     0.00
  6 ARG  H       6 ARG  HG2     0.00
 24 ARG  H      24 ARG  HB3     2.90            #peak 2091
 24 ARG  H      24 ARG  HB2     0.00
  6 ARG  HD3     7 ALA  H       3.59            #peak 142
  6 ARG  HD2     7 ALA  H       0.00
 35 LYS  H      35 LYS  HD2     2.98            #peak 1389
 35 LYS  H      35 LYS  HB3     0.00
 34 LYS  H      34 LYS  HB3     3.43            #peak 2117
 34 LYS  H      34 LYS  QD      0.00
 29 LEU  QQD    33 CYSS HB3     3.72            #peak 1693
 19 CYSS HB3    29 LEU  QQD     0.00
  6 ARG  H      32 ASN  O       2.30
  6 ARG  N      32 ASN  O       3.30
 10 HIS  O      14 SER  H       2.30
 10 HIS  O      14 SER  N       3.30
 11 ILE  O      15 PHE  H       2.30
 11 ILE  O      15 PHE  N       3.30
 13 GLU  O      16 LYS  H       2.30
 13 GLU  O      16 LYS  N       3.30
 15 PHE  O      18 PHE  H       2.30
 15 PHE  O      18 PHE  N       3.30
 16 LYS  O      19 CYSS H       2.30
 16 LYS  O      19 CYSS N       3.30
 18 PHE  O      21 ASP  H       2.30
 18 PHE  O      21 ASP  N       3.30
 23 GLY  O      27 VAL  H       2.30
 23 GLY  O      27 VAL  N       3.30
 24 ARG  O      28 LYS  H       2.30
 24 ARG  O      28 LYS  N       3.30
 25 ASN  O      29 LEU  H       2.30
 25 ASN  O      29 LEU  N       3.30
 26 GLY  O      30 ARG  H       2.30
 26 GLY  O      30 ARG  N       3.30
 27 VAL  O      31 ALA  H       2.30
 27 VAL  O      31 ALA  N       3.30
 28 LYS  O      32 ASN  H       2.30
 28 LYS  O      32 ASN  N       3.30
 29 LEU  O      33 CYSS H       2.30
 29 LEU  O      33 CYSS N       3.30
  5 ASP  OD1    36 THR  H       2.30
  5 ASP  OD1    36 THR  N       3.30
 33 CYSS O      37 CYSS H       2.30
 33 CYSS O      37 CYSS N       3.30
 35 LYS  O      38 GLY  H       2.30
 35 LYS  O      38 GLY  N       3.30
 34 LYS  O      39 LEU  H       2.30
 34 LYS  O      39 LEU  N       3.30
  3 CYSS SG     40 CYSS SG      2.10
  3 CYSS SG     40 CYSS CB      3.10
  3 CYSS CB     40 CYSS SG      3.10
 12 CYSS SG     33 CYSS SG      2.10
 12 CYSS SG     33 CYSS CB      3.10
 12 CYSS CB     33 CYSS SG      3.10
 19 CYSS SG     37 CYSS SG      2.10
 19 CYSS SG     37 CYSS CB      3.10
 19 CYSS CB     37 CYSS SG      3.10
2 ALA  PHI   -80.0   -40.0   
3 CYSS  PHI   -150.0   -90.0  
4 SER  PHI   -180.0   -140.0 
5 ASP  PHI   -100.0   -70.0  
6 ARG  PHI   -150.0   -90.0 
7 ALA  PHI    -80.0   -40.0  
8 HIS  PHI    -80.0   -40.0  
10 HIS  PHI   -100.0   -70.0 
11 ILE   PHI    -80.0   -40.0 
12 CYSS PHI    -80.0   -40.0 
13 GLU  PHI    -80.0   -40.0  
14 SER  PHI    -80.0   -40.0  
15 PHE  PHI   -150.0   -90.0  
16 LYS  PHI    -80.0   -40.0  
17 SER  PHI    -80.0   -40.0  
18 PHE  PHI   -150.0   -90.0  
19 CYSS PHI    -80.0   -40.0 
20 LYS  PHI   -150.0   -90.0  
21 ASP  PHI    -80.0   -40.0  
22 SER  PHI    -80.0   -40.0 
24 ARG  PHI   -80.0   -40.0  
25 ASN  PHI    -80.0   -40.0 
27 VAL  PHI    -80.0   -40.0  
28 LYS  PHI    -80.0   -40.0  
29 LEU  PHI    -80.0   -40.0  
30 ARG  PHI    -80.0   -40.0  
31 ALA  PHI   -100.0   -70.0  
32 ASN  PHI   -100.0   -60.0  
32 ASN  PHI   -100.0   220.0  
33 CYSS PHI   -150.0   -90.0
34 LYS  PHI    -80.0   -40.0   
35 LYS PHI   -100.0   -70.0  
36 THR  PHI    -80.0   -40.0  
37 CYSS PHI   -100.0   -70.0  
39 LEU  PHI   -150.0   -90.0 
40 CYSS PHI   -180.0   -70.0 
40 CYSS PHI   -100.0   220.0  


11 ILE  PSI    -60.0   -20.0  
12 CYSS PSI    -60.0   -20.0  
13 GLU  PSI    -60.0   -20.0 
16 LYS  PSI    -60.0   -20.0  
24 ARG  PSI   -60.0   -20.0 
27 VAL  PSI    -60.0   -20.0 
28 LYS  PSI    -60.0   -20.0 
29 LEU  PSI    -60.0   -20.0  
31 ALA  PSI    -60.0   -20.0  
34 LYS  PSI    -60.0   -20.0 
36 THR  PSI    -60.0   -20.0  


3 CYSS  CHI1   150.0   210.0
5 ASP  CHI1   -90.0   -30.0
8 HIS  CHI1   -90.0   -30.0
11 ILE CHI1    -90.0   -30.0    
12 CYSS CHI1   -90.0   -30.0
15 PHE  CHI1   -90.0   -30.0
18 PHE  CHI1    -90.0   -30.0
19 CYSS  CHI1  -90.0   -30.0
20 LYS  CHI1    30.0    90.0
25 ASN  CHI1   -90.0   -30.0
27 VAL  CHI1   150.0   210.0
29 LEU  CHI1   -90.0   -30.0
30 ARG  CHI1  -90.0    -30.0
33 CYSS  CHI1   -90.0   -30.0
34 LYS  CHI1   -90.0   -30.0
35 LYS  CHI1   150.0   210.0
36 THR  CHI1   -90.0   -30.0
37 CYSS  CHI1   -90.0   -30.0
40 CYSS CHI1   -90.0   -30.0
 6 ARG  H      32 ASN  O       1.80
 6 ARG  N      32 ASN  O       2.70
 10 HIS  O      14 SER  H       1.80
 10 HIS  O      14 SER  N       2.70
 11 ILE  O      15 PHE  H       1.80
 11 ILE  O      15 PHE  N       2.70
 13 GLU  O      16 LYS  H       1.80
 13 GLU  O      16 LYS  N       2.70
 15 PHE  O      18 PHE  H       1.80
 15 PHE  O      18 PHE  N       2.70
 16 LYS  O      19 CYSS H       1.80
 16 LYS  O      19 CYSS N       2.70
 18 PHE  O      21 ASP  H       1.80
 18 PHE  O      21 ASP  N       2.70
 23 GLY  O      27 VAL  H       1.80
 23 GLY  O      27 VAL  N       2.70
 24 ARG  O      28 LYS  H       1.80
 24 ARG  O      28 LYS  N       2.70
 25 ASN  O      29 LEU  H       1.80
 25 ASN  O      29 LEU  N       2.70
 26 GLY  O      30 ARG  H       1.80
 26 GLY  O      30 ARG  N       2.70
 27 VAL  O      31 ALA  H       1.80
 27 VAL  O      31 ALA  N       2.70
 28 LYS  O      32 ASN  H       1.80
 28 LYS  O      32 ASN  N       2.70
 29 LEU  O      33 CYSS H       1.80
 29 LEU  O      33 CYSS N       2.70
  5 ASP  OD1    36 THR  H       1.80
  5 ASP  OD1    36 THR  N       2.70
 33 CYSS O      37 CYSS H       1.80
 33 CYSS O      37 CYSS N       2.70
 35 LYS  O      38 GLY  H       1.80
 35 LYS  O      38 GLY  N       2.70
 34 LYS  O      39 LEU  H       1.80
 34 LYS  O      39 LEU  N       2.70
6 ARG  H      32 ASN  O       2.30
  6 ARG  N      32 ASN  O       3.30
 10 HIS  O      14 SER  H       2.30
 10 HIS  O      14 SER  N       3.30
 11 ILE  O      15 PHE  H       2.30
 11 ILE  O      15 PHE  N       3.30
 13 GLU  O      16 LYS  H       2.30
 13 GLU  O      16 LYS  N       3.30
 15 PHE  O      18 PHE  H       2.30
 15 PHE  O      18 PHE  N       3.30
 16 LYS  O      19 CYSS H       2.30
 16 LYS  O      19 CYSS N       3.30
 18 PHE  O      21 ASP  H       2.30
 18 PHE  O      21 ASP  N       3.30
 23 GLY  O      27 VAL  H       2.30
 23 GLY  O      27 VAL  N       3.30
 24 ARG  O      28 LYS  H       2.30
 24 ARG  O      28 LYS  N       3.30
 25 ASN  O      29 LEU  H       2.30
 25 ASN  O      29 LEU  N       3.30
 26 GLY  O      30 ARG  H       2.30
 26 GLY  O      30 ARG  N       3.30
 27 VAL  O      31 ALA  H       2.30
 27 VAL  O      31 ALA  N       3.30
 28 LYS  O      32 ASN  H       2.30
 28 LYS  O      32 ASN  N       3.30
 29 LEU  O      33 CYSS H       2.30
 29 LEU  O      33 CYSS N       3.30
  5 ASP  OD1    36 THR  H       2.30
  5 ASP  OD1    36 THR  N       3.30
 33 CYSS O      37 CYSS H       2.30
 33 CYSS O      37 CYSS N       3.30
 35 LYS  O      38 GLY  H       2.30
 35 LYS  O      38 GLY  N       3.30
 34 LYS  O      39 LEU  H       2.30
 34 LYS  O      39 LEU  N       3.30

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H        ALA   1  -0.347   6.345   1.842
    2    HA   ALA   1           HA       ALA   1  -0.446   4.326   3.562
    3    HB1  ALA   1           HB1      ALA   1  -1.894   5.847   4.981
    4    HB2  ALA   1           HB2      ALA   1  -3.179   5.554   3.808
    5    HB3  ALA   1           HB3      ALA   1  -2.495   4.209   4.721
    6    H    ALA   2           H        ALA   2  -0.251   3.049   1.795
    7    HA   ALA   2           HA       ALA   2  -1.999   3.206  -0.458
    8    HB1  ALA   2           HB1      ALA   2  -0.704   0.699  -0.443
    9    HB2  ALA   2           HB2      ALA   2  -0.291   2.135  -1.381
   10    HB3  ALA   2           HB3      ALA   2   0.437   1.877   0.205
   11    H    CYS   3           H        CYS   3  -3.314   1.385  -1.235
   12    HA   CYS   3           HA       CYS   3  -4.741   0.113   1.001
   13    HB2  CYS   3           HB2      CYS   3  -6.184   1.571  -0.252
   14    HB3  CYS   3           HB3      CYS   3  -5.662   0.863  -1.777
   15    H    SER   4           H        SER   4  -4.813  -2.042   1.165
   16    HA   SER   4           HA       SER   4  -4.783  -3.878  -0.936
   17    HB2  SER   4           HB2      SER   4  -2.377  -4.786  -0.289
   18    HB3  SER   4           HB3      SER   4  -2.579  -3.548  -1.528
   19    HG   SER   4           HG       SER   4  -0.962  -3.181   0.221
   20    H    ASP   5           H        ASP   5  -3.828  -6.128   0.014
   21    HA   ASP   5           HA       ASP   5  -5.196  -6.436   2.590
   22    HB2  ASP   5           HB2      ASP   5  -4.305  -8.755   0.917
   23    HB3  ASP   5           HB3      ASP   5  -5.690  -8.625   1.997
   24    H    ARG   6           H        ARG   6  -4.136  -6.971   4.395
   25    HA   ARG   6           HA       ARG   6  -1.288  -7.686   4.149
   26    HB2  ARG   6           HB2      ARG   6  -1.359  -6.781   6.644
   27    HB3  ARG   6           HB3      ARG   6  -1.147  -5.700   5.274
   28    HG2  ARG   6           HG2      ARG   6  -3.903  -6.273   6.238
   29    HG3  ARG   6           HG3      ARG   6  -2.881  -5.167   7.157
   30    HD2  ARG   6           HD2      ARG   6  -3.104  -4.811   4.207
   31    HD3  ARG   6           HD3      ARG   6  -4.445  -4.295   5.229
   32    HE   ARG   6           HE       ARG   6  -2.285  -3.167   6.411
   33   HH11  ARG   6          HH11      ARG   6  -3.523  -3.162   3.157
   34   HH12  ARG   6          HH12      ARG   6  -2.905  -1.587   2.785
   35   HH21  ARG   6          HH21      ARG   6  -1.467  -1.092   5.934
   36   HH22  ARG   6          HH22      ARG   6  -1.735  -0.410   4.365
   37    H    ALA   7           H        ALA   7  -4.362  -8.538   5.476
   38    HA   ALA   7           HA       ALA   7  -3.707 -10.197   7.583
   39    HB1  ALA   7           HB1      ALA   7  -6.012  -9.540   6.386
   40    HB2  ALA   7           HB2      ALA   7  -5.826 -11.185   5.778
   41    HB3  ALA   7           HB3      ALA   7  -5.860 -10.886   7.516
   42    H    HIS   8           H        HIS   8  -4.044 -12.683   7.485
   43    HA   HIS   8           HA       HIS   8  -1.846 -13.840   6.261
   44    HB2  HIS   8           HB2      HIS   8  -4.329 -14.882   7.525
   45    HB3  HIS   8           HB3      HIS   8  -3.388 -16.008   6.552
   46    HD1  HIS   8           HD1      HIS   8  -3.044 -13.791   9.594
   47    HD2  HIS   8           HD2      HIS   8  -1.148 -17.009   7.773
   48    HE1  HIS   8           HE1      HIS   8  -1.302 -14.561  11.235
   49    H    GLY   9           H        GLY   9  -4.998 -13.183   4.974
   50    HA2  GLY   9           HA2      GLY   9  -5.013 -13.008   2.494
   51    HA3  GLY   9           HA3      GLY   9  -4.228 -14.580   2.486
   52    H    HIS  10           H        HIS  10  -5.615 -16.132   4.109
   53    HA   HIS  10           HA       HIS  10  -8.104 -16.476   2.704
   54    HB2  HIS  10           HB2      HIS  10  -6.739 -18.046   4.891
   55    HB3  HIS  10           HB3      HIS  10  -8.316 -18.488   4.242
   56    HD1  HIS  10           HD1      HIS  10  -7.958 -20.447   2.781
   57    HD2  HIS  10           HD2      HIS  10  -4.988 -17.585   2.280
   58    HE1  HIS  10           HE1      HIS  10  -6.497 -21.312   0.926
   59    H    ILE  11           H        ILE  11  -7.241 -14.570   5.231
   60    HA   ILE  11           HA       ILE  11  -9.536 -14.985   6.926
   61    HB   ILE  11           HB       ILE  11  -7.526 -12.729   6.910
   62   HG12  ILE  11          HG12      ILE  11  -6.877 -15.241   7.433
   63   HG13  ILE  11          HG13      ILE  11  -6.239 -13.918   8.403
   64   HG21  ILE  11          HG21      ILE  11  -9.704 -13.476   8.846
   65   HG22  ILE  11          HG22      ILE  11  -8.360 -12.416   9.269
   66   HG23  ILE  11          HG23      ILE  11  -9.483 -11.949   7.992
   67   HD11  ILE  11          HD11      ILE  11  -7.781 -14.351  10.150
   68   HD12  ILE  11          HD12      ILE  11  -8.691 -15.483   9.150
   69   HD13  ILE  11          HD13      ILE  11  -7.063 -15.894   9.689
   70    H    CYS  12           H        CYS  12  -8.514 -12.628   4.495
   71    HA   CYS  12           HA       CYS  12 -10.723 -10.885   4.804
   72    HB2  CYS  12           HB2      CYS  12  -9.130 -11.272   2.271
   73    HB3  CYS  12           HB3      CYS  12  -9.973  -9.822   2.805
   74    H    GLU  13           H        GLU  13 -10.063 -13.526   2.522
   75    HA   GLU  13           HA       GLU  13 -12.495 -13.287   1.099
   76    HB2  GLU  13           HB2      GLU  13 -10.327 -15.308   1.302
   77    HB3  GLU  13           HB3      GLU  13 -11.873 -15.856   0.668
   78    HG2  GLU  13           HG2      GLU  13 -10.950 -13.355  -0.513
   79    HG3  GLU  13           HG3      GLU  13  -9.863 -14.715  -0.787
   80    H    SER  14           H        SER  14 -11.484 -15.513   3.686
   81    HA   SER  14           HA       SER  14 -13.886 -16.924   3.903
   82    HB2  SER  14           HB2      SER  14 -11.750 -16.329   5.958
   83    HB3  SER  14           HB3      SER  14 -13.096 -17.429   6.251
   84    HG   SER  14           HG       SER  14 -12.346 -18.752   4.623
   85    H    PHE  15           H        PHE  15 -13.007 -13.762   4.997
   86    HA   PHE  15           HA       PHE  15 -15.643 -13.509   6.287
   87    HB2  PHE  15           HB2      PHE  15 -13.001 -12.329   7.150
   88    HB3  PHE  15           HB3      PHE  15 -14.550 -11.758   7.759
   89    HD1  PHE  15           HD2      PHE  15 -12.185 -14.561   7.715
   90    HD2  PHE  15           HD1      PHE  15 -15.812 -13.035   9.339
   91    HE1  PHE  15           HE2      PHE  15 -12.148 -16.317   9.439
   92    HE2  PHE  15           HE1      PHE  15 -15.780 -14.787  11.066
   93    HZ   PHE  15           HZ       PHE  15 -13.947 -16.432  11.117
   94    H    LYS  16           H        LYS  16 -15.133 -13.011   3.562
   95    HA   LYS  16           HA       LYS  16 -14.627 -10.270   3.041
   96    HB2  LYS  16           HB2      LYS  16 -14.345 -11.444   1.111
   97    HB3  LYS  16           HB3      LYS  16 -15.604 -12.606   1.508
   98    HG2  LYS  16           HG2      LYS  16 -16.214 -11.302  -0.441
   99    HG3  LYS  16           HG3      LYS  16 -17.311 -10.967   0.901
  100    HD2  LYS  16           HD2      LYS  16 -16.870  -8.801   0.653
  101    HD3  LYS  16           HD3      LYS  16 -15.202  -9.124   1.132
  102    HE2  LYS  16           HE2      LYS  16 -15.064  -8.024  -0.946
  103    HE3  LYS  16           HE3      LYS  16 -14.773  -9.728  -1.292
  104    HZ1  LYS  16           HZ1      LYS  16 -17.542  -8.903  -1.454
  105    HZ2  LYS  16           HZ2      LYS  16 -16.642  -9.886  -2.495
  106    HZ3  LYS  16           HZ3      LYS  16 -16.528  -8.203  -2.614
  107    H    SER  17           H        SER  17 -17.613 -12.150   3.402
  108    HA   SER  17           HA       SER  17 -19.313  -9.883   2.969
  109    HB2  SER  17           HB2      SER  17 -20.191 -12.040   2.399
  110    HB3  SER  17           HB3      SER  17 -19.851 -12.670   4.011
  111    HG   SER  17           HG       SER  17 -21.443 -11.315   4.836
  112    H    PHE  18           H        PHE  18 -17.363 -10.725   5.491
  113    HA   PHE  18           HA       PHE  18 -19.157  -9.769   7.587
  114    HB2  PHE  18           HB2      PHE  18 -16.366 -10.925   7.691
  115    HB3  PHE  18           HB3      PHE  18 -17.243 -10.350   9.105
  116    HD1  PHE  18           HD1      PHE  18 -17.571 -12.726   6.258
  117    HD2  PHE  18           HD2      PHE  18 -18.559 -11.822  10.299
  118    HE1  PHE  18           HE1      PHE  18 -18.631 -14.934   6.490
  119    HE2  PHE  18           HE2      PHE  18 -19.619 -14.029  10.537
  120    HZ   PHE  18           HZ       PHE  18 -19.656 -15.589   8.632
  121    H    CYS  19           H        CYS  19 -17.105  -8.450   5.367
  122    HA   CYS  19           HA       CYS  19 -15.598  -6.584   6.803
  123    HB2  CYS  19           HB2      CYS  19 -16.587  -6.803   4.004
  124    HB3  CYS  19           HB3      CYS  19 -16.008  -5.228   4.536
  125    H    LYS  20           H        LYS  20 -18.971  -6.701   6.094
  126    HA   LYS  20           HA       LYS  20 -19.355  -3.892   6.803
  127    HB2  LYS  20           HB2      LYS  20 -21.756  -4.370   6.248
  128    HB3  LYS  20           HB3      LYS  20 -20.636  -4.592   4.910
  129    HG2  LYS  20           HG2      LYS  20 -21.359  -6.660   4.630
  130    HG3  LYS  20           HG3      LYS  20 -20.882  -7.068   6.280
  131    HD2  LYS  20           HD2      LYS  20 -23.411  -5.557   5.912
  132    HD3  LYS  20           HD3      LYS  20 -23.399  -7.258   5.441
  133    HE2  LYS  20           HE2      LYS  20 -22.103  -7.090   7.939
  134    HE3  LYS  20           HE3      LYS  20 -23.560  -6.105   8.056
  135    HZ1  LYS  20           HZ1      LYS  20 -24.905  -7.934   7.488
  136    HZ2  LYS  20           HZ2      LYS  20 -23.813  -8.520   8.639
  137    HZ3  LYS  20           HZ3      LYS  20 -23.584  -8.873   7.000
  138    H    ASP  21           H        ASP  21 -18.551  -6.144   8.674
  139    HA   ASP  21           HA       ASP  21 -20.799  -6.436  10.454
  140    HB2  ASP  21           HB2      ASP  21 -19.056  -8.196  10.188
  141    HB3  ASP  21           HB3      ASP  21 -17.890  -7.110  10.937
  142    H    SER  22           H        SER  22 -21.300  -5.229  12.181
  143    HA   SER  22           HA       SER  22 -19.869  -2.762  12.600
  144    HB2  SER  22           HB2      SER  22 -21.670  -2.433  14.387
  145    HB3  SER  22           HB3      SER  22 -22.230  -2.570  12.720
  146    HG   SER  22           HG       SER  22 -22.742  -4.171  14.854
  147    H    GLY  23           H        GLY  23 -19.321  -5.817  13.631
  148    HA2  GLY  23           HA2      GLY  23 -18.541  -5.080  16.359
  149    HA3  GLY  23           HA3      GLY  23 -18.605  -6.711  15.708
  150    H    ARG  24           H        ARG  24 -16.444  -6.513  16.976
  151    HA   ARG  24           HA       ARG  24 -14.257  -5.123  15.976
  152    HB2  ARG  24           HB2      ARG  24 -12.870  -6.830  17.087
  153    HB3  ARG  24           HB3      ARG  24 -14.188  -6.281  18.113
  154    HG2  ARG  24           HG2      ARG  24 -15.424  -8.364  17.118
  155    HG3  ARG  24           HG3      ARG  24 -13.780  -8.918  16.796
  156    HD2  ARG  24           HD2      ARG  24 -13.985  -7.851  19.461
  157    HD3  ARG  24           HD3      ARG  24 -15.205  -9.096  19.201
  158    HE   ARG  24           HE       ARG  24 -12.830 -10.117  18.226
  159   HH11  ARG  24          HH11      ARG  24 -14.070  -8.996  21.279
  160   HH12  ARG  24          HH12      ARG  24 -13.065 -10.046  22.221
  161   HH21  ARG  24          HH21      ARG  24 -11.501 -11.505  19.455
  162   HH22  ARG  24          HH22      ARG  24 -11.603 -11.472  21.183
  163    H    ASN  25           H        ASN  25 -15.563  -8.267  15.022
  164    HA   ASN  25           HA       ASN  25 -13.574  -9.171  13.346
  165    HB2  ASN  25           HB2      ASN  25 -16.527  -9.523  13.451
  166    HB3  ASN  25           HB3      ASN  25 -15.708 -10.033  11.977
  167   HD21  ASN  25          HD21      ASN  25 -15.915 -10.494  15.439
  168   HD22  ASN  25          HD22      ASN  25 -15.202 -12.068  15.464
  169    H    GLY  26           H        GLY  26 -16.137  -6.832  12.651
  170    HA2  GLY  26           HA2      GLY  26 -15.532  -6.559   9.886
  171    HA3  GLY  26           HA3      GLY  26 -16.480  -5.439  10.853
  172    H    VAL  27           H        VAL  27 -14.651  -4.616  12.730
  173    HA   VAL  27           HA       VAL  27 -13.268  -2.595  11.396
  174    HB   VAL  27           HB       VAL  27 -12.580  -3.697  14.122
  175   HG11  VAL  27          HG11      VAL  27 -10.925  -2.186  13.836
  176   HG12  VAL  27          HG12      VAL  27 -11.801  -1.300  12.587
  177   HG13  VAL  27          HG13      VAL  27 -12.189  -1.044  14.288
  178   HG21  VAL  27          HG21      VAL  27 -14.738  -1.800  13.240
  179   HG22  VAL  27          HG22      VAL  27 -14.891  -3.262  14.216
  180   HG23  VAL  27          HG23      VAL  27 -14.125  -1.826  14.894
  181    H    LYS  28           H        LYS  28 -12.065  -5.659  12.733
  182    HA   LYS  28           HA       LYS  28  -9.362  -5.259  12.031
  183    HB2  LYS  28           HB2      LYS  28 -10.939  -7.787  12.526
  184    HB3  LYS  28           HB3      LYS  28  -9.197  -7.757  12.289
  185    HG2  LYS  28           HG2      LYS  28 -10.665  -6.309  14.484
  186    HG3  LYS  28           HG3      LYS  28  -9.842  -7.861  14.659
  187    HD2  LYS  28           HD2      LYS  28  -7.728  -6.772  13.979
  188    HD3  LYS  28           HD3      LYS  28  -8.574  -5.224  13.914
  189    HE2  LYS  28           HE2      LYS  28  -9.218  -5.668  16.341
  190    HE3  LYS  28           HE3      LYS  28  -8.008  -6.950  16.310
  191    HZ1  LYS  28           HZ1      LYS  28  -6.738  -4.762  15.263
  192    HZ2  LYS  28           HZ2      LYS  28  -6.541  -5.384  16.823
  193    HZ3  LYS  28           HZ3      LYS  28  -7.645  -4.133  16.545
  194    H    LEU  29           H        LEU  29 -12.123  -6.414  10.249
  195    HA   LEU  29           HA       LEU  29 -10.698  -7.646   8.124
  196    HB2  LEU  29           HB2      LEU  29 -13.494  -6.681   8.524
  197    HB3  LEU  29           HB3      LEU  29 -12.954  -7.124   6.906
  198    HG   LEU  29           HG       LEU  29 -12.809  -8.993   9.264
  199   HD11  LEU  29          HD11      LEU  29 -15.148  -8.238   8.729
  200   HD12  LEU  29          HD12      LEU  29 -14.857  -9.971   8.582
  201   HD13  LEU  29          HD13      LEU  29 -14.936  -8.965   7.136
  202   HD21  LEU  29          HD21      LEU  29 -11.438  -9.216   7.029
  203   HD22  LEU  29          HD22      LEU  29 -12.974  -9.823   6.410
  204   HD23  LEU  29          HD23      LEU  29 -12.196 -10.621   7.777
  205    H    ARG  30           H        ARG  30 -12.133  -4.423   8.533
  206    HA   ARG  30           HA       ARG  30 -11.375  -3.481   5.963
  207    HB2  ARG  30           HB2      ARG  30 -12.091  -1.972   8.483
  208    HB3  ARG  30           HB3      ARG  30 -11.899  -1.235   6.898
  209    HG2  ARG  30           HG2      ARG  30 -13.691  -3.221   6.376
  210    HG3  ARG  30           HG3      ARG  30 -14.137  -2.741   8.014
  211    HD2  ARG  30           HD2      ARG  30 -13.615  -0.430   6.375
  212    HD3  ARG  30           HD3      ARG  30 -14.824  -1.469   5.621
  213    HE   ARG  30           HE       ARG  30 -15.285  -0.944   8.417
  214   HH11  ARG  30          HH11      ARG  30 -15.834   0.128   5.151
  215   HH12  ARG  30          HH12      ARG  30 -17.256   1.035   5.549
  216   HH21  ARG  30          HH21      ARG  30 -17.155   0.246   8.954
  217   HH22  ARG  30          HH22      ARG  30 -18.006   1.102   7.713
  218    H    ALA  31           H        ALA  31  -9.647  -3.985   8.851
  219    HA   ALA  31           HA       ALA  31  -7.582  -2.027   8.217
  220    HB1  ALA  31           HB1      ALA  31  -6.564  -2.692  10.322
  221    HB2  ALA  31           HB2      ALA  31  -8.270  -2.308  10.552
  222    HB3  ALA  31           HB3      ALA  31  -7.744  -3.991  10.500
  223    H    ASN  32           H        ASN  32  -7.784  -5.548   8.753
  224    HA   ASN  32           HA       ASN  32  -5.156  -5.990   7.682
  225    HB2  ASN  32           HB2      ASN  32  -7.354  -7.963   8.345
  226    HB3  ASN  32           HB3      ASN  32  -5.682  -8.380   7.977
  227   HD21  ASN  32          HD21      ASN  32  -7.780  -8.064  10.413
  228   HD22  ASN  32          HD22      ASN  32  -6.705  -7.656  11.702
  229    H    CYS  33           H        CYS  33  -8.211  -5.520   6.335
  230    HA   CYS  33           HA       CYS  33  -7.233  -6.439   3.732
  231    HB2  CYS  33           HB2      CYS  33 -10.087  -6.957   4.522
  232    HB3  CYS  33           HB3      CYS  33  -9.164  -7.665   3.201
  233    H    LYS  34           H        LYS  34  -6.971  -3.938   4.071
  234    HA   LYS  34           HA       LYS  34  -9.187  -2.235   3.897
  235    HB2  LYS  34           HB2      LYS  34  -6.496  -1.704   2.640
  236    HB3  LYS  34           HB3      LYS  34  -7.652  -0.524   3.243
  237    HG2  LYS  34           HG2      LYS  34  -7.180  -2.005   5.474
  238    HG3  LYS  34           HG3      LYS  34  -5.611  -2.065   4.666
  239    HD2  LYS  34           HD2      LYS  34  -6.760   0.597   4.607
  240    HD3  LYS  34           HD3      LYS  34  -6.583  -0.007   6.256
  241    HE2  LYS  34           HE2      LYS  34  -4.303  -0.098   6.123
  242    HE3  LYS  34           HE3      LYS  34  -4.307  -0.382   4.383
  243    HZ1  LYS  34           HZ1      LYS  34  -3.531   1.886   5.281
  244    HZ2  LYS  34           HZ2      LYS  34  -5.179   2.218   5.459
  245    HZ3  LYS  34           HZ3      LYS  34  -4.550   1.852   3.931
  246    H    LYS  35           H        LYS  35  -7.801  -4.338   1.582
  247    HA   LYS  35           HA       LYS  35  -8.984  -2.930  -0.682
  248    HB2  LYS  35           HB2      LYS  35  -6.769  -3.847  -1.024
  249    HB3  LYS  35           HB3      LYS  35  -7.312  -5.442  -0.521
  250    HG2  LYS  35           HG2      LYS  35  -9.006  -4.725  -2.615
  251    HG3  LYS  35           HG3      LYS  35  -7.394  -4.212  -3.119
  252    HD2  LYS  35           HD2      LYS  35  -6.710  -6.321  -3.417
  253    HD3  LYS  35           HD3      LYS  35  -7.399  -6.845  -1.878
  254    HE2  LYS  35           HE2      LYS  35  -9.555  -7.138  -2.864
  255    HE3  LYS  35           HE3      LYS  35  -9.032  -6.376  -4.366
  256    HZ1  LYS  35           HZ1      LYS  35  -8.535  -8.398  -5.083
  257    HZ2  LYS  35           HZ2      LYS  35  -8.809  -9.089  -3.565
  258    HZ3  LYS  35           HZ3      LYS  35  -7.285  -8.461  -3.945
  259    H    THR  36           H        THR  36  -9.098  -6.223   0.686
  260    HA   THR  36           HA       THR  36 -11.168  -7.246  -0.817
  261    HB   THR  36           HB       THR  36 -10.790  -7.821   2.125
  262    HG1  THR  36           HG1      THR  36  -9.363  -8.733  -0.158
  263   HG21  THR  36          HG21      THR  36 -12.799  -8.734   0.797
  264   HG22  THR  36          HG22      THR  36 -11.827  -9.880   1.722
  265   HG23  THR  36          HG23      THR  36 -11.614  -9.750  -0.023
  266    H    CYS  37           H        CYS  37 -11.304  -5.008   1.858
  267    HA   CYS  37           HA       CYS  37 -14.189  -5.220   2.098
  268    HB2  CYS  37           HB2      CYS  37 -12.126  -3.513   3.492
  269    HB3  CYS  37           HB3      CYS  37 -13.855  -3.345   3.777
  270    H    GLY  38           H        GLY  38 -11.805  -3.151   0.613
  271    HA2  GLY  38           HA2      GLY  38 -12.265  -1.746  -1.228
  272    HA3  GLY  38           HA3      GLY  38 -13.959  -1.728  -0.760
  273    H    LEU  39           H        LEU  39 -10.760  -0.500   0.102
  274    HA   LEU  39           HA       LEU  39 -12.065   1.915   1.146
  275    HB2  LEU  39           HB2      LEU  39  -9.798   0.397   2.424
  276    HB3  LEU  39           HB3      LEU  39 -10.279   2.027   2.889
  277    HG   LEU  39           HG       LEU  39 -12.360  -0.090   2.963
  278   HD11  LEU  39          HD11      LEU  39 -11.109  -0.063   5.494
  279   HD12  LEU  39          HD12      LEU  39  -9.860  -0.400   4.295
  280   HD13  LEU  39          HD13      LEU  39 -11.297  -1.418   4.381
  281   HD21  LEU  39          HD21      LEU  39 -13.204   1.201   4.763
  282   HD22  LEU  39          HD22      LEU  39 -12.719   2.342   3.509
  283   HD23  LEU  39          HD23      LEU  39 -11.692   2.096   4.922
  284    H    CYS  40           H        CYS  40 -10.243   0.767  -1.209
  285    HA   CYS  40           HA       CYS  40  -7.960   2.458  -1.209
  286    HB2  CYS  40           HB2      CYS  40  -9.283   1.267  -3.646
  287    HB3  CYS  40           HB3      CYS  40  -7.590   1.701  -3.441
  Start of MODEL    2
    1    H1   ALA   1           H        ALA   1  -0.342   7.257   1.733
    2    HA   ALA   1           HA       ALA   1  -1.253   5.345   2.879
    3    HB1  ALA   1           HB1      ALA   1  -2.911   6.976   2.898
    4    HB2  ALA   1           HB2      ALA   1  -3.199   6.843   1.163
    5    HB3  ALA   1           HB3      ALA   1  -3.740   5.562   2.247
    6    H    ALA   2           H        ALA   2  -0.059   3.603   1.782
    7    HA   ALA   2           HA       ALA   2  -0.980   2.332  -0.548
    8    HB1  ALA   2           HB1      ALA   2   1.008   1.850   1.475
    9    HB2  ALA   2           HB2      ALA   2   0.189   0.350   1.037
   10    HB3  ALA   2           HB3      ALA   2   0.969   1.325  -0.209
   11    H    CYS   3           H        CYS   3  -2.977   1.568  -0.798
   12    HA   CYS   3           HA       CYS   3  -4.294   0.241   1.466
   13    HB2  CYS   3           HB2      CYS   3  -5.640   1.996   0.567
   14    HB3  CYS   3           HB3      CYS   3  -5.372   1.444  -1.084
   15    H    SER   4           H        SER   4  -4.421  -1.897   1.505
   16    HA   SER   4           HA       SER   4  -5.054  -3.512  -0.709
   17    HB2  SER   4           HB2      SER   4  -2.659  -2.883  -1.267
   18    HB3  SER   4           HB3      SER   4  -2.173  -3.809   0.153
   19    HG   SER   4           HG       SER   4  -3.001  -4.678  -2.313
   20    H    ASP   5           H        ASP   5  -4.011  -5.930  -0.038
   21    HA   ASP   5           HA       ASP   5  -5.246  -6.391   2.569
   22    HB2  ASP   5           HB2      ASP   5  -4.305  -8.515   0.649
   23    HB3  ASP   5           HB3      ASP   5  -5.522  -8.650   1.916
   24    H    ARG   6           H        ARG   6  -4.162  -7.058   4.329
   25    HA   ARG   6           HA       ARG   6  -1.287  -7.629   4.016
   26    HB2  ARG   6           HB2      ARG   6  -1.333  -6.808   6.537
   27    HB3  ARG   6           HB3      ARG   6  -1.186  -5.674   5.200
   28    HG2  ARG   6           HG2      ARG   6  -3.906  -6.365   6.184
   29    HG3  ARG   6           HG3      ARG   6  -2.901  -5.280   7.147
   30    HD2  ARG   6           HD2      ARG   6  -3.244  -4.811   4.213
   31    HD3  ARG   6           HD3      ARG   6  -4.498  -4.302   5.342
   32    HE   ARG   6           HE       ARG   6  -2.285  -3.235   6.428
   33   HH11  ARG   6          HH11      ARG   6  -3.559  -3.191   3.188
   34   HH12  ARG   6          HH12      ARG   6  -2.887  -1.640   2.805
   35   HH21  ARG   6          HH21      ARG   6  -1.395  -1.193   5.935
   36   HH22  ARG   6          HH22      ARG   6  -1.656  -0.505   4.368
   37    H    ALA   7           H        ALA   7  -4.310  -8.574   5.427
   38    HA   ALA   7           HA       ALA   7  -3.547 -10.302   7.437
   39    HB1  ALA   7           HB1      ALA   7  -5.687 -11.058   7.417
   40    HB2  ALA   7           HB2      ALA   7  -5.908  -9.631   6.403
   41    HB3  ALA   7           HB3      ALA   7  -5.732 -11.221   5.661
   42    H    HIS   8           H        HIS   8  -3.808 -12.775   7.291
   43    HA   HIS   8           HA       HIS   8  -1.664 -13.860   5.932
   44    HB2  HIS   8           HB2      HIS   8  -4.084 -14.983   7.246
   45    HB3  HIS   8           HB3      HIS   8  -3.168 -16.060   6.196
   46    HD1  HIS   8           HD1      HIS   8  -0.416 -15.933   6.822
   47    HD2  HIS   8           HD2      HIS   8  -3.199 -15.084   9.787
   48    HE1  HIS   8           HE1      HIS   8   0.806 -16.236   8.998
   49    H    GLY   9           H        GLY   9  -4.917 -13.293   4.816
   50    HA2  GLY   9           HA2      GLY   9  -4.939 -13.006   2.306
   51    HA3  GLY   9           HA3      GLY   9  -4.242 -14.619   2.264
   52    H    HIS  10           H        HIS  10  -5.585 -16.299   3.501
   53    HA   HIS  10           HA       HIS  10  -8.166 -16.372   2.314
   54    HB2  HIS  10           HB2      HIS  10  -6.694 -18.150   4.239
   55    HB3  HIS  10           HB3      HIS  10  -8.387 -18.450   3.854
   56    HD1  HIS  10           HD1      HIS  10  -6.035 -17.241   1.208
   57    HD2  HIS  10           HD2      HIS  10  -7.784 -20.796   2.460
   58    HE1  HIS  10           HE1      HIS  10  -5.587 -18.896  -0.632
   59    H    ILE  11           H        ILE  11  -7.015 -14.948   5.142
   60    HA   ILE  11           HA       ILE  11  -9.235 -15.305   6.862
   61    HB   ILE  11           HB       ILE  11  -7.183 -13.091   6.783
   62   HG12  ILE  11          HG12      ILE  11  -6.678 -15.666   7.293
   63   HG13  ILE  11          HG13      ILE  11  -5.862 -14.364   8.149
   64   HG21  ILE  11          HG21      ILE  11  -9.337 -13.739   8.774
   65   HG22  ILE  11          HG22      ILE  11  -7.907 -12.802   9.203
   66   HG23  ILE  11          HG23      ILE  11  -9.013 -12.205   7.966
   67   HD11  ILE  11          HD11      ILE  11  -8.370 -15.626   9.196
   68   HD12  ILE  11          HD12      ILE  11  -6.767 -16.279   9.537
   69   HD13  ILE  11          HD13      ILE  11  -7.184 -14.648  10.059
   70    H    CYS  12           H        CYS  12  -8.388 -12.793   4.513
   71    HA   CYS  12           HA       CYS  12 -10.622 -11.130   5.067
   72    HB2  CYS  12           HB2      CYS  12  -9.116 -11.250   2.454
   73    HB3  CYS  12           HB3      CYS  12  -9.973  -9.876   3.146
   74    H    GLU  13           H        GLU  13  -9.988 -13.610   2.613
   75    HA   GLU  13           HA       GLU  13 -12.467 -13.305   1.269
   76    HB2  GLU  13           HB2      GLU  13 -10.207 -14.539   0.603
   77    HB3  GLU  13           HB3      GLU  13 -11.059 -15.930   1.258
   78    HG2  GLU  13           HG2      GLU  13 -12.827 -14.527  -0.468
   79    HG3  GLU  13           HG3      GLU  13 -11.294 -14.767  -1.304
   80    H    SER  14           H        SER  14 -11.333 -15.541   3.775
   81    HA   SER  14           HA       SER  14 -13.588 -17.166   3.936
   82    HB2  SER  14           HB2      SER  14 -11.508 -16.372   5.964
   83    HB3  SER  14           HB3      SER  14 -12.831 -17.459   6.386
   84    HG   SER  14           HG       SER  14 -10.841 -18.482   5.630
   85    H    PHE  15           H        PHE  15 -12.931 -14.025   5.373
   86    HA   PHE  15           HA       PHE  15 -15.732 -13.933   6.279
   87    HB2  PHE  15           HB2      PHE  15 -13.364 -12.648   7.655
   88    HB3  PHE  15           HB3      PHE  15 -15.041 -12.563   8.182
   89    HD1  PHE  15           HD2      PHE  15 -16.198 -14.749   8.801
   90    HD2  PHE  15           HD1      PHE  15 -11.980 -14.371   8.371
   91    HE1  PHE  15           HE2      PHE  15 -15.883 -16.792  10.135
   92    HE2  PHE  15           HE1      PHE  15 -11.658 -16.414   9.704
   93    HZ   PHE  15           HZ       PHE  15 -13.610 -17.627  10.588
   94    H    LYS  16           H        LYS  16 -15.003 -13.114   3.751
   95    HA   LYS  16           HA       LYS  16 -14.408 -10.327   3.637
   96    HB2  LYS  16           HB2      LYS  16 -15.085 -10.539   1.247
   97    HB3  LYS  16           HB3      LYS  16 -13.871 -11.711   1.744
   98    HG2  LYS  16           HG2      LYS  16 -15.163 -13.382   1.092
   99    HG3  LYS  16           HG3      LYS  16 -16.469 -12.827   2.141
  100    HD2  LYS  16           HD2      LYS  16 -16.062 -11.324  -0.373
  101    HD3  LYS  16           HD3      LYS  16 -16.686 -12.967  -0.529
  102    HE2  LYS  16           HE2      LYS  16 -18.314 -12.185   1.377
  103    HE3  LYS  16           HE3      LYS  16 -17.910 -10.579   0.773
  104    HZ1  LYS  16           HZ1      LYS  16 -19.913 -11.590  -0.254
  105    HZ2  LYS  16           HZ2      LYS  16 -18.923 -12.776  -0.943
  106    HZ3  LYS  16           HZ3      LYS  16 -18.721 -11.152  -1.373
  107    H    SER  17           H        SER  17 -17.343 -12.226   3.786
  108    HA   SER  17           HA       SER  17 -19.094 -10.055   3.126
  109    HB2  SER  17           HB2      SER  17 -20.760 -11.787   4.311
  110    HB3  SER  17           HB3      SER  17 -20.178 -12.018   2.662
  111    HG   SER  17           HG       SER  17 -19.568 -13.411   4.976
  112    H    PHE  18           H        PHE  18 -17.283 -10.770   5.828
  113    HA   PHE  18           HA       PHE  18 -19.187  -9.569   7.701
  114    HB2  PHE  18           HB2      PHE  18 -16.506 -10.873   8.215
  115    HB3  PHE  18           HB3      PHE  18 -17.606 -10.276   9.453
  116    HD1  PHE  18           HD1      PHE  18 -17.283 -12.756   6.721
  117    HD2  PHE  18           HD2      PHE  18 -19.331 -11.620  10.276
  118    HE1  PHE  18           HE1      PHE  18 -18.409 -14.943   6.767
  119    HE2  PHE  18           HE2      PHE  18 -20.459 -13.805  10.328
  120    HZ   PHE  18           HZ       PHE  18 -19.998 -15.471   8.573
  121    H    CYS  19           H        CYS  19 -17.166  -8.400   5.536
  122    HA   CYS  19           HA       CYS  19 -15.395  -6.709   6.899
  123    HB2  CYS  19           HB2      CYS  19 -16.580  -6.787   4.171
  124    HB3  CYS  19           HB3      CYS  19 -15.841  -5.275   4.686
  125    H    LYS  20           H        LYS  20 -18.780  -6.325   6.029
  126    HA   LYS  20           HA       LYS  20 -18.821  -3.618   7.125
  127    HB2  LYS  20           HB2      LYS  20 -21.167  -3.584   6.310
  128    HB3  LYS  20           HB3      LYS  20 -19.998  -3.915   5.038
  129    HG2  LYS  20           HG2      LYS  20 -20.688  -6.426   5.947
  130    HG3  LYS  20           HG3      LYS  20 -22.206  -5.527   6.001
  131    HD2  LYS  20           HD2      LYS  20 -20.454  -5.356   3.583
  132    HD3  LYS  20           HD3      LYS  20 -21.501  -6.758   3.814
  133    HE2  LYS  20           HE2      LYS  20 -23.209  -4.703   4.341
  134    HE3  LYS  20           HE3      LYS  20 -22.171  -3.990   3.107
  135    HZ1  LYS  20           HZ1      LYS  20 -22.886  -5.443   1.532
  136    HZ2  LYS  20           HZ2      LYS  20 -24.285  -5.391   2.481
  137    HZ3  LYS  20           HZ3      LYS  20 -23.207  -6.685   2.635
  138    H    ASP  21           H        ASP  21 -18.531  -6.207   8.693
  139    HA   ASP  21           HA       ASP  21 -20.928  -6.507  10.210
  140    HB2  ASP  21           HB2      ASP  21 -19.087  -8.239   9.918
  141    HB3  ASP  21           HB3      ASP  21 -18.155  -7.310  11.089
  142    H    SER  22           H        SER  22 -21.615  -5.435  11.957
  143    HA   SER  22           HA       SER  22 -20.161  -3.099  12.816
  144    HB2  SER  22           HB2      SER  22 -22.876  -4.236  13.331
  145    HB3  SER  22           HB3      SER  22 -22.228  -3.058  14.473
  146    HG   SER  22           HG       SER  22 -23.172  -1.797  13.005
  147    H    GLY  23           H        GLY  23 -18.474  -4.983  13.453
  148    HA2  GLY  23           HA2      GLY  23 -18.438  -4.921  16.343
  149    HA3  GLY  23           HA3      GLY  23 -18.592  -6.534  15.663
  150    H    ARG  24           H        ARG  24 -16.492  -6.518  17.044
  151    HA   ARG  24           HA       ARG  24 -14.155  -5.290  16.209
  152    HB2  ARG  24           HB2      ARG  24 -14.379  -8.093  17.317
  153    HB3  ARG  24           HB3      ARG  24 -12.963  -7.052  17.372
  154    HG2  ARG  24           HG2      ARG  24 -15.071  -5.612  18.558
  155    HG3  ARG  24           HG3      ARG  24 -15.127  -7.248  19.217
  156    HD2  ARG  24           HD2      ARG  24 -13.692  -6.011  20.633
  157    HD3  ARG  24           HD3      ARG  24 -12.650  -7.032  19.642
  158    HE   ARG  24           HE       ARG  24 -12.972  -4.504  18.426
  159   HH11  ARG  24          HH11      ARG  24 -11.387  -6.058  21.108
  160   HH12  ARG  24          HH12      ARG  24 -10.083  -4.918  21.167
  161   HH21  ARG  24          HH21      ARG  24 -11.261  -2.997  18.493
  162   HH22  ARG  24          HH22      ARG  24 -10.013  -3.177  19.679
  163    H    ASN  25           H        ASN  25 -15.519  -8.398  15.159
  164    HA   ASN  25           HA       ASN  25 -13.505  -9.252  13.477
  165    HB2  ASN  25           HB2      ASN  25 -16.449  -9.668  13.584
  166    HB3  ASN  25           HB3      ASN  25 -15.621 -10.147  12.105
  167   HD21  ASN  25          HD21      ASN  25 -14.367 -11.939  12.095
  168   HD22  ASN  25          HD22      ASN  25 -14.182 -12.995  13.450
  169    H    GLY  26           H        GLY  26 -16.120  -6.963  12.809
  170    HA2  GLY  26           HA2      GLY  26 -15.564  -6.652  10.047
  171    HA3  GLY  26           HA3      GLY  26 -16.481  -5.534  11.046
  172    H    VAL  27           H        VAL  27 -14.660  -4.667  12.861
  173    HA   VAL  27           HA       VAL  27 -13.249  -2.701  11.464
  174    HB   VAL  27           HB       VAL  27 -12.678  -3.702  14.257
  175   HG11  VAL  27          HG11      VAL  27 -12.054  -1.159  14.429
  176   HG12  VAL  27          HG12      VAL  27 -10.890  -2.332  13.810
  177   HG13  VAL  27          HG13      VAL  27 -11.805  -1.321  12.691
  178   HG21  VAL  27          HG21      VAL  27 -14.148  -1.279  14.243
  179   HG22  VAL  27          HG22      VAL  27 -14.986  -2.423  13.195
  180   HG23  VAL  27          HG23      VAL  27 -14.637  -2.853  14.869
  181    H    LYS  28           H        LYS  28 -12.094  -5.713  12.953
  182    HA   LYS  28           HA       LYS  28  -9.375  -5.359  12.284
  183    HB2  LYS  28           HB2      LYS  28 -10.978  -7.851  12.869
  184    HB3  LYS  28           HB3      LYS  28  -9.232  -7.846  12.656
  185    HG2  LYS  28           HG2      LYS  28  -8.849  -6.810  14.654
  186    HG3  LYS  28           HG3      LYS  28 -10.412  -5.990  14.654
  187    HD2  LYS  28           HD2      LYS  28 -10.942  -7.547  16.196
  188    HD3  LYS  28           HD3      LYS  28 -11.206  -8.572  14.784
  189    HE2  LYS  28           HE2      LYS  28  -8.423  -8.555  15.537
  190    HE3  LYS  28           HE3      LYS  28  -9.438  -9.018  16.903
  191    HZ1  LYS  28           HZ1      LYS  28  -8.751 -10.521  14.600
  192    HZ2  LYS  28           HZ2      LYS  28 -10.432 -10.385  14.724
  193    HZ3  LYS  28           HZ3      LYS  28  -9.540 -11.028  16.009
  194    H    LEU  29           H        LEU  29 -12.113  -6.432  10.466
  195    HA   LEU  29           HA       LEU  29 -10.650  -7.807   8.430
  196    HB2  LEU  29           HB2      LEU  29 -13.456  -6.875   8.787
  197    HB3  LEU  29           HB3      LEU  29 -12.907  -7.308   7.169
  198    HG   LEU  29           HG       LEU  29 -12.707  -9.185   9.514
  199   HD11  LEU  29          HD11      LEU  29 -15.067  -8.441   9.038
  200   HD12  LEU  29          HD12      LEU  29 -14.764 -10.172   8.898
  201   HD13  LEU  29          HD13      LEU  29 -14.890  -9.179   7.446
  202   HD21  LEU  29          HD21      LEU  29 -12.276 -10.848   7.930
  203   HD22  LEU  29          HD22      LEU  29 -11.323  -9.470   7.378
  204   HD23  LEU  29          HD23      LEU  29 -12.856  -9.854   6.593
  205    H    ARG  30           H        ARG  30 -12.118  -4.584   8.690
  206    HA   ARG  30           HA       ARG  30 -11.354  -3.726   6.100
  207    HB2  ARG  30           HB2      ARG  30 -12.070  -2.162   8.585
  208    HB3  ARG  30           HB3      ARG  30 -11.823  -1.435   7.002
  209    HG2  ARG  30           HG2      ARG  30 -13.640  -3.372   6.426
  210    HG3  ARG  30           HG3      ARG  30 -14.114  -2.914   8.063
  211    HD2  ARG  30           HD2      ARG  30 -13.522  -0.584   6.473
  212    HD3  ARG  30           HD3      ARG  30 -14.734  -1.590   5.680
  213    HE   ARG  30           HE       ARG  30 -15.244  -1.112   8.473
  214   HH11  ARG  30          HH11      ARG  30 -15.691   0.056   5.224
  215   HH12  ARG  30          HH12      ARG  30 -17.099   0.987   5.613
  216   HH21  ARG  30          HH21      ARG  30 -17.097   0.110   8.998
  217   HH22  ARG  30          HH22      ARG  30 -17.897   1.018   7.760
  218    H    ALA  31           H        ALA  31  -9.607  -4.142   8.993
  219    HA   ALA  31           HA       ALA  31  -7.545  -2.207   8.315
  220    HB1  ALA  31           HB1      ALA  31  -8.248  -2.583  10.669
  221    HB2  ALA  31           HB2      ALA  31  -7.570  -4.209  10.568
  222    HB3  ALA  31           HB3      ALA  31  -6.518  -2.803  10.400
  223    H    ASN  32           H        ASN  32  -7.680  -5.729   8.885
  224    HA   ASN  32           HA       ASN  32  -5.094  -6.139   7.707
  225    HB2  ASN  32           HB2      ASN  32  -7.226  -8.140   8.491
  226    HB3  ASN  32           HB3      ASN  32  -5.565  -8.534   8.055
  227   HD21  ASN  32          HD21      ASN  32  -7.514  -8.331  10.579
  228   HD22  ASN  32          HD22      ASN  32  -6.408  -7.843  11.813
  229    H    CYS  33           H        CYS  33  -8.178  -5.684   6.464
  230    HA   CYS  33           HA       CYS  33  -7.311  -6.686   3.851
  231    HB2  CYS  33           HB2      CYS  33 -10.154  -7.103   4.722
  232    HB3  CYS  33           HB3      CYS  33  -9.266  -7.897   3.426
  233    H    LYS  34           H        LYS  34  -6.978  -4.182   4.127
  234    HA   LYS  34           HA       LYS  34  -9.169  -2.438   3.969
  235    HB2  LYS  34           HB2      LYS  34  -6.501  -1.967   2.645
  236    HB3  LYS  34           HB3      LYS  34  -7.618  -0.766   3.280
  237    HG2  LYS  34           HG2      LYS  34  -7.096  -2.263   5.496
  238    HG3  LYS  34           HG3      LYS  34  -5.553  -2.324   4.641
  239    HD2  LYS  34           HD2      LYS  34  -5.158  -0.108   4.924
  240    HD3  LYS  34           HD3      LYS  34  -6.865   0.321   4.801
  241    HE2  LYS  34           HE2      LYS  34  -7.166   0.216   7.020
  242    HE3  LYS  34           HE3      LYS  34  -6.216  -1.261   7.171
  243    HZ1  LYS  34           HZ1      LYS  34  -5.434   1.466   7.602
  244    HZ2  LYS  34           HZ2      LYS  34  -4.356   0.629   6.604
  245    HZ3  LYS  34           HZ3      LYS  34  -4.712   0.037   8.148
  246    H    LYS  35           H        LYS  35  -7.872  -4.616   1.677
  247    HA   LYS  35           HA       LYS  35  -9.060  -3.226  -0.597
  248    HB2  LYS  35           HB2      LYS  35  -6.782  -4.419  -0.633
  249    HB3  LYS  35           HB3      LYS  35  -7.707  -5.914  -0.676
  250    HG2  LYS  35           HG2      LYS  35  -7.117  -5.363  -2.908
  251    HG3  LYS  35           HG3      LYS  35  -8.847  -5.061  -2.726
  252    HD2  LYS  35           HD2      LYS  35  -7.604  -2.659  -2.027
  253    HD3  LYS  35           HD3      LYS  35  -6.727  -3.238  -3.446
  254    HE2  LYS  35           HE2      LYS  35  -9.711  -3.292  -3.445
  255    HE3  LYS  35           HE3      LYS  35  -8.877  -1.762  -3.710
  256    HZ1  LYS  35           HZ1      LYS  35  -8.684  -4.231  -5.337
  257    HZ2  LYS  35           HZ2      LYS  35  -7.608  -2.936  -5.502
  258    HZ3  LYS  35           HZ3      LYS  35  -9.255  -2.713  -5.820
  259    H    THR  36           H        THR  36  -9.239  -6.467   0.881
  260    HA   THR  36           HA       THR  36 -11.327  -7.511  -0.572
  261    HB   THR  36           HB       THR  36 -10.953  -7.940   2.396
  262    HG1  THR  36           HG1      THR  36  -8.986  -8.340   1.405
  263   HG21  THR  36          HG21      THR  36 -12.003 -10.045   2.065
  264   HG22  THR  36          HG22      THR  36 -11.947  -9.875   0.310
  265   HG23  THR  36          HG23      THR  36 -13.023  -8.852   1.262
  266    H    CYS  37           H        CYS  37 -11.422  -5.117   1.959
  267    HA   CYS  37           HA       CYS  37 -14.336  -5.229   2.105
  268    HB2  CYS  37           HB2      CYS  37 -12.357  -3.512   3.619
  269    HB3  CYS  37           HB3      CYS  37 -14.092  -3.570   3.913
  270    H    GLY  38           H        GLY  38 -11.772  -3.324   0.739
  271    HA2  GLY  38           HA2      GLY  38 -11.960  -1.769  -0.985
  272    HA3  GLY  38           HA3      GLY  38 -13.706  -1.800  -0.787
  273    H    LEU  39           H        LEU  39 -10.703  -0.448   0.432
  274    HA   LEU  39           HA       LEU  39 -12.261   1.775   1.570
  275    HB2  LEU  39           HB2      LEU  39  -9.822   0.438   2.726
  276    HB3  LEU  39           HB3      LEU  39 -10.454   1.983   3.292
  277    HG   LEU  39           HG       LEU  39 -12.313  -0.332   3.272
  278   HD11  LEU  39          HD11      LEU  39 -10.874  -0.217   5.762
  279   HD12  LEU  39          HD12      LEU  39  -9.791  -0.612   4.427
  280   HD13  LEU  39          HD13      LEU  39 -11.220  -1.602   4.725
  281   HD21  LEU  39          HD21      LEU  39 -11.902   1.593   5.509
  282   HD22  LEU  39          HD22      LEU  39 -13.383   0.822   4.941
  283   HD23  LEU  39          HD23      LEU  39 -12.675   2.154   4.026
  284    H    CYS  40           H        CYS  40 -10.149   0.875  -0.756
  285    HA   CYS  40           HA       CYS  40  -8.219   2.960  -0.670
  286    HB2  CYS  40           HB2      CYS  40  -9.140   1.487  -3.139
  287    HB3  CYS  40           HB3      CYS  40  -7.576   2.243  -2.856
  Start of MODEL    3
    1    H1   ALA   1           H        ALA   1  -1.407   6.037   3.846
    2    HA   ALA   1           HA       ALA   1   0.718   4.294   3.455
    3    HB1  ALA   1           HB1      ALA   1  -1.299   3.321   5.447
    4    HB2  ALA   1           HB2      ALA   1  -0.396   2.193   4.434
    5    HB3  ALA   1           HB3      ALA   1   0.462   3.273   5.533
    6    H    ALA   2           H        ALA   2   0.275   2.654   1.886
    7    HA   ALA   2           HA       ALA   2  -1.710   3.383   0.013
    8    HB1  ALA   2           HB1      ALA   2   0.567   1.762   0.027
    9    HB2  ALA   2           HB2      ALA   2  -0.772   0.696  -0.403
   10    HB3  ALA   2           HB3      ALA   2  -0.464   2.151  -1.351
   11    H    CYS   3           H        CYS   3  -2.979   1.293  -0.968
   12    HA   CYS   3           HA       CYS   3  -4.552   0.196   1.270
   13    HB2  CYS   3           HB2      CYS   3  -5.898   1.868   0.197
   14    HB3  CYS   3           HB3      CYS   3  -5.508   1.237  -1.399
   15    H    SER   4           H        SER   4  -4.679  -1.947   1.343
   16    HA   SER   4           HA       SER   4  -5.038  -3.656  -0.834
   17    HB2  SER   4           HB2      SER   4  -2.663  -4.769  -0.572
   18    HB3  SER   4           HB3      SER   4  -2.892  -3.404  -1.666
   19    HG   SER   4           HG       SER   4  -1.413  -3.579   0.626
   20    H    ASP   5           H        ASP   5  -4.089  -6.013  -0.104
   21    HA   ASP   5           HA       ASP   5  -5.306  -6.431   2.515
   22    HB2  ASP   5           HB2      ASP   5  -4.360  -8.589   0.638
   23    HB3  ASP   5           HB3      ASP   5  -5.586  -8.696   1.898
   24    H    ARG   6           H        ARG   6  -4.206  -6.986   4.292
   25    HA   ARG   6           HA       ARG   6  -1.339  -7.602   3.992
   26    HB2  ARG   6           HB2      ARG   6  -1.383  -6.706   6.490
   27    HB3  ARG   6           HB3      ARG   6  -1.223  -5.616   5.119
   28    HG2  ARG   6           HG2      ARG   6  -3.949  -6.255   6.121
   29    HG3  ARG   6           HG3      ARG   6  -2.938  -5.140   7.043
   30    HD2  ARG   6           HD2      ARG   6  -3.235  -4.761   4.098
   31    HD3  ARG   6           HD3      ARG   6  -4.538  -4.252   5.170
   32    HE   ARG   6           HE       ARG   6  -2.391  -3.105   6.303
   33   HH11  ARG   6          HH11      ARG   6  -3.542  -3.179   3.018
   34   HH12  ARG   6          HH12      ARG   6  -2.889  -1.626   2.616
   35   HH21  ARG   6          HH21      ARG   6  -1.527  -1.059   5.786
   36   HH22  ARG   6          HH22      ARG   6  -1.742  -0.421   4.192
   37    H    ALA   7           H        ALA   7  -4.366  -8.515   5.395
   38    HA   ALA   7           HA       ALA   7  -3.619 -10.174   7.473
   39    HB1  ALA   7           HB1      ALA   7  -5.785 -11.146   5.700
   40    HB2  ALA   7           HB2      ALA   7  -5.757 -10.940   7.452
   41    HB3  ALA   7           HB3      ALA   7  -5.971  -9.539   6.403
   42    H    HIS   8           H        HIS   8  -3.923 -12.664   7.371
   43    HA   HIS   8           HA       HIS   8  -1.748 -13.785   6.077
   44    HB2  HIS   8           HB2      HIS   8  -4.183 -14.866   7.398
   45    HB3  HIS   8           HB3      HIS   8  -3.260 -15.974   6.386
   46    HD1  HIS   8           HD1      HIS   8  -1.651 -17.275   7.717
   47    HD2  HIS   8           HD2      HIS   8  -2.179 -13.454   9.262
   48    HE1  HIS   8           HE1      HIS   8  -0.159 -17.155   9.738
   49    H    GLY   9           H        GLY   9  -4.950 -13.172   4.884
   50    HA2  GLY   9           HA2      GLY   9  -4.977 -12.977   2.386
   51    HA3  GLY   9           HA3      GLY   9  -4.251 -14.578   2.379
   52    H    HIS  10           H        HIS  10  -5.583 -16.241   3.684
   53    HA   HIS  10           HA       HIS  10  -8.139 -16.411   2.451
   54    HB2  HIS  10           HB2      HIS  10  -6.688 -18.082   4.488
   55    HB3  HIS  10           HB3      HIS  10  -8.358 -18.433   4.049
   56    HD1  HIS  10           HD1      HIS  10  -4.992 -18.030   2.326
   57    HD2  HIS  10           HD2      HIS  10  -8.595 -20.052   1.891
   58    HE1  HIS  10           HE1      HIS  10  -4.676 -19.548   0.346
   59    H    ILE  11           H        ILE  11  -7.056 -14.900   5.277
   60    HA   ILE  11           HA       ILE  11  -9.325 -15.212   6.940
   61    HB   ILE  11           HB       ILE  11  -7.280 -12.990   6.863
   62   HG12  ILE  11          HG12      ILE  11  -6.783 -15.560   7.442
   63   HG13  ILE  11          HG13      ILE  11  -5.976 -14.231   8.268
   64   HG21  ILE  11          HG21      ILE  11  -8.067 -12.677   9.268
   65   HG22  ILE  11          HG22      ILE  11  -9.126 -12.085   7.990
   66   HG23  ILE  11          HG23      ILE  11  -9.489 -13.608   8.800
   67   HD11  ILE  11          HD11      ILE  11  -8.496 -15.462   9.323
   68   HD12  ILE  11          HD12      ILE  11  -6.898 -16.103   9.703
   69   HD13  ILE  11          HD13      ILE  11  -7.321 -14.456  10.170
   70    H    CYS  12           H        CYS  12  -8.433 -12.802   4.510
   71    HA   CYS  12           HA       CYS  12 -10.640 -11.083   4.968
   72    HB2  CYS  12           HB2      CYS  12  -9.165 -11.370   2.353
   73    HB3  CYS  12           HB3      CYS  12  -9.972  -9.942   2.991
   74    H    GLU  13           H        GLU  13 -10.045 -13.641   2.574
   75    HA   GLU  13           HA       GLU  13 -12.555 -13.385   1.285
   76    HB2  GLU  13           HB2      GLU  13 -10.305 -14.626   0.599
   77    HB3  GLU  13           HB3      GLU  13 -11.134 -16.004   1.308
   78    HG2  GLU  13           HG2      GLU  13 -12.947 -14.650  -0.413
   79    HG3  GLU  13           HG3      GLU  13 -11.432 -14.909  -1.277
   80    H    SER  14           H        SER  14 -11.357 -15.536   3.833
   81    HA   SER  14           HA       SER  14 -13.557 -17.205   4.090
   82    HB2  SER  14           HB2      SER  14 -11.511 -16.231   6.071
   83    HB3  SER  14           HB3      SER  14 -12.808 -17.321   6.564
   84    HG   SER  14           HG       SER  14 -11.326 -17.983   4.291
   85    H    PHE  15           H        PHE  15 -13.000 -13.994   5.437
   86    HA   PHE  15           HA       PHE  15 -15.832 -13.926   6.243
   87    HB2  PHE  15           HB2      PHE  15 -13.559 -12.551   7.688
   88    HB3  PHE  15           HB3      PHE  15 -15.254 -12.563   8.166
   89    HD1  PHE  15           HD2      PHE  15 -16.300 -14.768   8.821
   90    HD2  PHE  15           HD1      PHE  15 -12.100 -14.237   8.380
   91    HE1  PHE  15           HE2      PHE  15 -15.907 -16.790  10.166
   92    HE2  PHE  15           HE1      PHE  15 -11.700 -16.259   9.723
   93    HZ   PHE  15           HZ       PHE  15 -13.605 -17.538  10.619
   94    H    LYS  16           H        LYS  16 -15.071 -13.137   3.737
   95    HA   LYS  16           HA       LYS  16 -14.463 -10.357   3.581
   96    HB2  LYS  16           HB2      LYS  16 -15.145 -10.613   1.186
   97    HB3  LYS  16           HB3      LYS  16 -13.911 -11.751   1.711
   98    HG2  LYS  16           HG2      LYS  16 -15.172 -13.469   1.119
   99    HG3  LYS  16           HG3      LYS  16 -16.509 -12.888   2.116
  100    HD2  LYS  16           HD2      LYS  16 -16.046 -11.488  -0.452
  101    HD3  LYS  16           HD3      LYS  16 -16.674 -13.135  -0.544
  102    HE2  LYS  16           HE2      LYS  16 -18.678 -12.159  -0.290
  103    HE3  LYS  16           HE3      LYS  16 -18.233 -12.065   1.413
  104    HZ1  LYS  16           HZ1      LYS  16 -18.818  -9.964  -0.282
  105    HZ2  LYS  16           HZ2      LYS  16 -17.152  -9.871  -0.010
  106    HZ3  LYS  16           HZ3      LYS  16 -18.224  -9.867   1.299
  107    H    SER  17           H        SER  17 -17.414 -12.236   3.718
  108    HA   SER  17           HA       SER  17 -19.147 -10.074   3.002
  109    HB2  SER  17           HB2      SER  17 -19.982 -12.265   2.596
  110    HB3  SER  17           HB3      SER  17 -19.629 -12.784   4.244
  111    HG   SER  17           HG       SER  17 -21.858 -11.659   3.285
  112    H    PHE  18           H        PHE  18 -17.363 -10.737   5.743
  113    HA   PHE  18           HA       PHE  18 -19.267  -9.442   7.555
  114    HB2  PHE  18           HB2      PHE  18 -16.623 -10.779   8.168
  115    HB3  PHE  18           HB3      PHE  18 -17.765 -10.157   9.356
  116    HD1  PHE  18           HD1      PHE  18 -17.329 -12.692   6.696
  117    HD2  PHE  18           HD2      PHE  18 -19.553 -11.466  10.111
  118    HE1  PHE  18           HE1      PHE  18 -18.469 -14.873   6.732
  119    HE2  PHE  18           HE2      PHE  18 -20.696 -13.645  10.154
  120    HZ   PHE  18           HZ       PHE  18 -20.154 -15.352   8.463
  121    H    CYS  19           H        CYS  19 -17.331  -8.301   5.376
  122    HA   CYS  19           HA       CYS  19 -15.476  -6.650   6.716
  123    HB2  CYS  19           HB2      CYS  19 -16.646  -6.770   3.984
  124    HB3  CYS  19           HB3      CYS  19 -15.887  -5.257   4.467
  125    H    LYS  20           H        LYS  20 -18.875  -6.447   6.317
  126    HA   LYS  20           HA       LYS  20 -18.886  -3.614   7.096
  127    HB2  LYS  20           HB2      LYS  20 -21.262  -3.634   6.449
  128    HB3  LYS  20           HB3      LYS  20 -20.218  -4.129   5.123
  129    HG2  LYS  20           HG2      LYS  20 -20.787  -6.531   6.189
  130    HG3  LYS  20           HG3      LYS  20 -22.260  -5.650   6.599
  131    HD2  LYS  20           HD2      LYS  20 -22.829  -6.418   4.520
  132    HD3  LYS  20           HD3      LYS  20 -22.083  -4.881   4.078
  133    HE2  LYS  20           HE2      LYS  20 -20.015  -6.798   4.243
  134    HE3  LYS  20           HE3      LYS  20 -21.329  -7.533   3.326
  135    HZ1  LYS  20           HZ1      LYS  20 -21.344  -5.430   1.977
  136    HZ2  LYS  20           HZ2      LYS  20 -19.983  -6.413   1.778
  137    HZ3  LYS  20           HZ3      LYS  20 -19.886  -5.017   2.728
  138    H    ASP  21           H        ASP  21 -18.340  -5.972   8.854
  139    HA   ASP  21           HA       ASP  21 -20.633  -6.177  10.586
  140    HB2  ASP  21           HB2      ASP  21 -17.865  -7.302  10.564
  141    HB3  ASP  21           HB3      ASP  21 -18.762  -7.299  12.081
  142    H    SER  22           H        SER  22 -20.956  -5.207  12.542
  143    HA   SER  22           HA       SER  22 -19.527  -2.750  13.007
  144    HB2  SER  22           HB2      SER  22 -21.151  -2.747  15.071
  145    HB3  SER  22           HB3      SER  22 -21.790  -2.482  13.450
  146    HG   SER  22           HG       SER  22 -23.077  -4.035  14.219
  147    H    GLY  23           H        GLY  23 -19.354  -5.981  14.141
  148    HA2  GLY  23           HA2      GLY  23 -18.141  -5.374  16.681
  149    HA3  GLY  23           HA3      GLY  23 -18.259  -6.960  15.931
  150    H    ARG  24           H        ARG  24 -15.992  -6.700  17.105
  151    HA   ARG  24           HA       ARG  24 -13.914  -5.282  15.929
  152    HB2  ARG  24           HB2      ARG  24 -13.655  -8.042  17.127
  153    HB3  ARG  24           HB3      ARG  24 -12.417  -6.797  17.035
  154    HG2  ARG  24           HG2      ARG  24 -14.436  -5.543  18.409
  155    HG3  ARG  24           HG3      ARG  24 -14.517  -7.203  19.004
  156    HD2  ARG  24           HD2      ARG  24 -11.848  -6.793  19.051
  157    HD3  ARG  24           HD3      ARG  24 -12.426  -5.156  19.358
  158    HE   ARG  24           HE       ARG  24 -13.051  -5.824  21.448
  159   HH11  ARG  24          HH11      ARG  24 -12.680  -8.643  19.438
  160   HH12  ARG  24          HH12      ARG  24 -12.919  -9.762  20.739
  161   HH21  ARG  24          HH21      ARG  24 -13.366  -7.288  23.169
  162   HH22  ARG  24          HH22      ARG  24 -13.310  -8.990  22.860
  163    H    ASN  25           H        ASN  25 -15.297  -8.405  15.059
  164    HA   ASN  25           HA       ASN  25 -13.419  -9.340  13.270
  165    HB2  ASN  25           HB2      ASN  25 -16.388  -9.541  12.770
  166    HB3  ASN  25           HB3      ASN  25 -15.133 -10.697  12.334
  167   HD21  ASN  25          HD21      ASN  25 -17.635 -10.783  14.038
  168   HD22  ASN  25          HD22      ASN  25 -17.109 -11.514  15.513
  169    H    GLY  26           H        GLY  26 -16.050  -7.032  12.686
  170    HA2  GLY  26           HA2      GLY  26 -15.547  -6.741   9.904
  171    HA3  GLY  26           HA3      GLY  26 -16.484  -5.643  10.906
  172    H    VAL  27           H        VAL  27 -14.632  -4.753  12.709
  173    HA   VAL  27           HA       VAL  27 -13.319  -2.727  11.305
  174    HB   VAL  27           HB       VAL  27 -12.540  -3.741  14.040
  175   HG11  VAL  27          HG11      VAL  27 -11.076  -2.072  13.984
  176   HG12  VAL  27          HG12      VAL  27 -11.664  -1.555  12.402
  177   HG13  VAL  27          HG13      VAL  27 -12.424  -0.941  13.871
  178   HG21  VAL  27          HG21      VAL  27 -14.155  -1.941  14.819
  179   HG22  VAL  27          HG22      VAL  27 -14.806  -1.960  13.180
  180   HG23  VAL  27          HG23      VAL  27 -14.871  -3.417  14.172
  181    H    LYS  28           H        LYS  28 -12.027  -5.727  12.704
  182    HA   LYS  28           HA       LYS  28  -9.345  -5.290  11.954
  183    HB2  LYS  28           HB2      LYS  28 -10.856  -7.847  12.508
  184    HB3  LYS  28           HB3      LYS  28  -9.115  -7.770  12.271
  185    HG2  LYS  28           HG2      LYS  28 -10.615  -6.306  14.432
  186    HG3  LYS  28           HG3      LYS  28  -9.781  -7.847  14.645
  187    HD2  LYS  28           HD2      LYS  28  -7.666  -6.788  14.012
  188    HD3  LYS  28           HD3      LYS  28  -8.501  -5.248  13.793
  189    HE2  LYS  28           HE2      LYS  28  -8.923  -5.023  16.084
  190    HE3  LYS  28           HE3      LYS  28  -8.611  -6.729  16.400
  191    HZ1  LYS  28           HZ1      LYS  28  -6.257  -6.277  15.758
  192    HZ2  LYS  28           HZ2      LYS  28  -6.756  -5.513  17.181
  193    HZ3  LYS  28           HZ3      LYS  28  -6.626  -4.626  15.746
  194    H    LEU  29           H        LEU  29 -12.105  -6.502  10.222
  195    HA   LEU  29           HA       LEU  29 -10.680  -7.759   8.106
  196    HB2  LEU  29           HB2      LEU  29 -13.489  -6.862   8.541
  197    HB3  LEU  29           HB3      LEU  29 -12.970  -7.288   6.912
  198    HG   LEU  29           HG       LEU  29 -12.713  -9.161   9.256
  199   HD11  LEU  29          HD11      LEU  29 -14.934  -9.075   7.222
  200   HD12  LEU  29          HD12      LEU  29 -15.077  -8.518   8.889
  201   HD13  LEU  29          HD13      LEU  29 -14.752 -10.219   8.552
  202   HD21  LEU  29          HD21      LEU  29 -12.862  -9.812   6.327
  203   HD22  LEU  29          HD22      LEU  29 -12.303 -10.829   7.656
  204   HD23  LEU  29          HD23      LEU  29 -11.334  -9.450   7.131
  205    H    ARG  30           H        ARG  30 -12.207  -4.570   8.451
  206    HA   ARG  30           HA       ARG  30 -11.482  -3.661   5.861
  207    HB2  ARG  30           HB2      ARG  30 -12.240  -2.128   8.354
  208    HB3  ARG  30           HB3      ARG  30 -12.058  -1.408   6.760
  209    HG2  ARG  30           HG2      ARG  30 -13.798  -3.422   6.230
  210    HG3  ARG  30           HG3      ARG  30 -14.256  -2.986   7.878
  211    HD2  ARG  30           HD2      ARG  30 -13.808  -0.635   6.267
  212    HD3  ARG  30           HD3      ARG  30 -14.998  -1.697   5.515
  213    HE   ARG  30           HE       ARG  30 -15.448  -1.231   8.320
  214   HH11  ARG  30          HH11      ARG  30 -16.031  -0.085   5.084
  215   HH12  ARG  30          HH12      ARG  30 -17.463   0.791   5.512
  216   HH21  ARG  30          HH21      ARG  30 -17.332  -0.082   8.896
  217   HH22  ARG  30          HH22      ARG  30 -18.202   0.793   7.681
  218    H    ALA  31           H        ALA  31  -9.713  -4.089   8.724
  219    HA   ALA  31           HA       ALA  31  -7.710  -2.078   8.040
  220    HB1  ALA  31           HB1      ALA  31  -6.676  -2.631  10.159
  221    HB2  ALA  31           HB2      ALA  31  -8.400  -2.333  10.389
  222    HB3  ALA  31           HB3      ALA  31  -7.784  -3.986  10.375
  223    H    ASN  32           H        ASN  32  -7.806  -5.585   8.694
  224    HA   ASN  32           HA       ASN  32  -5.179  -5.982   7.599
  225    HB2  ASN  32           HB2      ASN  32  -7.299  -7.992   8.390
  226    HB3  ASN  32           HB3      ASN  32  -5.627  -8.377   7.993
  227   HD21  ASN  32          HD21      ASN  32  -7.634  -8.106  10.476
  228   HD22  ASN  32          HD22      ASN  32  -6.551  -7.585  11.717
  229    H    CYS  33           H        CYS  33  -8.246  -5.626   6.275
  230    HA   CYS  33           HA       CYS  33  -7.291  -6.638   3.702
  231    HB2  CYS  33           HB2      CYS  33 -10.119  -7.195   4.556
  232    HB3  CYS  33           HB3      CYS  33  -9.196  -7.934   3.252
  233    H    LYS  34           H        LYS  34  -7.100  -4.109   3.972
  234    HA   LYS  34           HA       LYS  34  -9.362  -2.480   3.746
  235    HB2  LYS  34           HB2      LYS  34  -6.692  -1.925   2.455
  236    HB3  LYS  34           HB3      LYS  34  -7.880  -0.752   3.008
  237    HG2  LYS  34           HG2      LYS  34  -7.352  -2.148   5.295
  238    HG3  LYS  34           HG3      LYS  34  -5.783  -2.145   4.485
  239    HD2  LYS  34           HD2      LYS  34  -5.483   0.051   4.834
  240    HD3  LYS  34           HD3      LYS  34  -7.152   0.439   4.412
  241    HE2  LYS  34           HE2      LYS  34  -7.728  -0.593   6.708
  242    HE3  LYS  34           HE3      LYS  34  -6.014  -0.387   7.060
  243    HZ1  LYS  34           HZ1      LYS  34  -7.223   1.961   5.938
  244    HZ2  LYS  34           HZ2      LYS  34  -6.270   1.796   7.326
  245    HZ3  LYS  34           HZ3      LYS  34  -7.934   1.497   7.402
  246    H    LYS  35           H        LYS  35  -7.929  -4.622   1.496
  247    HA   LYS  35           HA       LYS  35  -9.127  -3.329  -0.820
  248    HB2  LYS  35           HB2      LYS  35  -6.841  -4.489  -0.804
  249    HB3  LYS  35           HB3      LYS  35  -7.738  -6.002  -0.787
  250    HG2  LYS  35           HG2      LYS  35  -7.185  -5.584  -3.036
  251    HG3  LYS  35           HG3      LYS  35  -8.900  -5.201  -2.875
  252    HD2  LYS  35           HD2      LYS  35  -7.516  -2.830  -2.288
  253    HD3  LYS  35           HD3      LYS  35  -6.729  -3.515  -3.712
  254    HE2  LYS  35           HE2      LYS  35  -9.356  -3.861  -4.326
  255    HE3  LYS  35           HE3      LYS  35  -9.411  -2.362  -3.400
  256    HZ1  LYS  35           HZ1      LYS  35  -7.646  -2.852  -5.738
  257    HZ2  LYS  35           HZ2      LYS  35  -7.788  -1.402  -4.879
  258    HZ3  LYS  35           HZ3      LYS  35  -9.096  -1.980  -5.782
  259    H    THR  36           H        THR  36  -9.302  -6.530   0.743
  260    HA   THR  36           HA       THR  36 -11.370  -7.618  -0.717
  261    HB   THR  36           HB       THR  36 -10.895  -7.988   2.248
  262    HG1  THR  36           HG1      THR  36  -9.826  -9.290  -0.049
  263   HG21  THR  36          HG21      THR  36 -12.024 -10.114   1.989
  264   HG22  THR  36          HG22      THR  36 -12.248  -9.820   0.264
  265   HG23  THR  36          HG23      THR  36 -13.089  -8.817   1.446
  266    H    CYS  37           H        CYS  37 -11.493  -5.157   1.735
  267    HA   CYS  37           HA       CYS  37 -14.408  -5.303   1.887
  268    HB2  CYS  37           HB2      CYS  37 -12.458  -3.530   3.375
  269    HB3  CYS  37           HB3      CYS  37 -14.192  -3.619   3.669
  270    H    GLY  38           H        GLY  38 -11.860  -3.423   0.471
  271    HA2  GLY  38           HA2      GLY  38 -12.054  -1.900  -1.278
  272    HA3  GLY  38           HA3      GLY  38 -13.799  -1.935  -1.079
  273    H    LEU  39           H        LEU  39 -10.803  -0.556   0.135
  274    HA   LEU  39           HA       LEU  39 -12.368   1.701   1.193
  275    HB2  LEU  39           HB2      LEU  39  -9.971   0.372   2.442
  276    HB3  LEU  39           HB3      LEU  39 -10.608   1.932   2.957
  277    HG   LEU  39           HG       LEU  39 -12.487  -0.364   2.938
  278   HD11  LEU  39          HD11      LEU  39 -11.428  -1.627   4.421
  279   HD12  LEU  39          HD12      LEU  39 -11.117  -0.237   5.460
  280   HD13  LEU  39          HD13      LEU  39  -9.989  -0.639   4.165
  281   HD21  LEU  39          HD21      LEU  39 -12.040   2.154   4.477
  282   HD22  LEU  39          HD22      LEU  39 -12.970   0.842   5.203
  283   HD23  LEU  39          HD23      LEU  39 -13.500   1.564   3.683
  284    H    CYS  40           H        CYS  40 -10.264   0.757  -1.093
  285    HA   CYS  40           HA       CYS  40  -8.275   2.783  -1.002
  286    HB2  CYS  40           HB2      CYS  40  -9.236   1.344  -3.476
  287    HB3  CYS  40           HB3      CYS  40  -7.649   2.050  -3.188
  Start of MODEL    4
    1    H1   ALA   1           H        ALA   1  -0.902   5.204   4.550
    2    HA   ALA   1           HA       ALA   1   0.934   3.391   3.773
    3    HB1  ALA   1           HB1      ALA   1  -1.118   1.816   5.305
    4    HB2  ALA   1           HB2      ALA   1   0.384   1.244   4.578
    5    HB3  ALA   1           HB3      ALA   1   0.434   2.288   5.998
    6    H    ALA   2           H        ALA   2   0.392   2.403   1.853
    7    HA   ALA   2           HA       ALA   2  -1.796   3.389   0.426
    8    HB1  ALA   2           HB1      ALA   2  -0.934   2.291  -1.358
    9    HB2  ALA   2           HB2      ALA   2   0.464   2.160  -0.291
   10    HB3  ALA   2           HB3      ALA   2  -0.653   0.805  -0.450
   11    H    CYS   3           H        CYS   3  -3.340   1.800  -0.776
   12    HA   CYS   3           HA       CYS   3  -4.773   0.322   1.307
   13    HB2  CYS   3           HB2      CYS   3  -6.125   1.972   0.213
   14    HB3  CYS   3           HB3      CYS   3  -5.637   1.400  -1.379
   15    H    SER   4           H        SER   4  -4.774  -1.822   1.344
   16    HA   SER   4           HA       SER   4  -5.022  -3.506  -0.867
   17    HB2  SER   4           HB2      SER   4  -2.580  -4.504  -0.534
   18    HB3  SER   4           HB3      SER   4  -2.890  -3.199  -1.678
   19    HG   SER   4           HG       SER   4  -1.717  -1.916  -0.501
   20    H    ASP   5           H        ASP   5  -4.081  -5.841  -0.194
   21    HA   ASP   5           HA       ASP   5  -5.253  -6.340   2.429
   22    HB2  ASP   5           HB2      ASP   5  -4.285  -8.455   0.519
   23    HB3  ASP   5           HB3      ASP   5  -5.533  -8.579   1.756
   24    H    ARG   6           H        ARG   6  -4.122  -6.896   4.183
   25    HA   ARG   6           HA       ARG   6  -1.253  -7.481   3.839
   26    HB2  ARG   6           HB2      ARG   6  -1.243  -6.611   6.332
   27    HB3  ARG   6           HB3      ARG   6  -1.170  -5.491   4.978
   28    HG2  ARG   6           HG2      ARG   6  -3.840  -6.229   6.051
   29    HG3  ARG   6           HG3      ARG   6  -2.829  -5.124   6.985
   30    HD2  ARG   6           HD2      ARG   6  -3.380  -4.707   4.061
   31    HD3  ARG   6           HD3      ARG   6  -4.460  -4.095   5.314
   32    HE   ARG   6           HE       ARG   6  -1.980  -2.972   4.517
   33   HH11  ARG   6          HH11      ARG   6  -3.997  -3.519   7.301
   34   HH12  ARG   6          HH12      ARG   6  -3.381  -2.157   8.177
   35   HH21  ARG   6          HH21      ARG   6  -1.162  -1.176   5.660
   36   HH22  ARG   6          HH22      ARG   6  -1.770  -0.824   7.243
   37    H    ALA   7           H        ALA   7  -4.254  -8.437   5.272
   38    HA   ALA   7           HA       ALA   7  -3.444 -10.126   7.310
   39    HB1  ALA   7           HB1      ALA   7  -5.590 -10.816   7.374
   40    HB2  ALA   7           HB2      ALA   7  -5.831  -9.477   6.251
   41    HB3  ALA   7           HB3      ALA   7  -5.658 -11.122   5.638
   42    H    HIS   8           H        HIS   8  -3.861 -12.635   7.113
   43    HA   HIS   8           HA       HIS   8  -1.695 -13.743   5.770
   44    HB2  HIS   8           HB2      HIS   8  -4.123 -14.827   7.101
   45    HB3  HIS   8           HB3      HIS   8  -3.233 -15.918   6.043
   46    HD1  HIS   8           HD1      HIS   8  -0.394 -15.493   6.660
   47    HD2  HIS   8           HD2      HIS   8  -3.301 -15.291   9.622
   48    HE1  HIS   8           HE1      HIS   8   0.820 -15.906   8.824
   49    H    GLY   9           H        GLY   9  -4.834 -12.934   4.604
   50    HA2  GLY   9           HA2      GLY   9  -4.986 -12.699   2.157
   51    HA3  GLY   9           HA3      GLY   9  -4.185 -14.259   2.043
   52    H    HIS  10           H        HIS  10  -5.430 -16.010   3.411
   53    HA   HIS  10           HA       HIS  10  -7.963 -16.312   2.157
   54    HB2  HIS  10           HB2      HIS  10  -8.122 -18.364   3.625
   55    HB3  HIS  10           HB3      HIS  10  -6.704 -18.292   2.583
   56    HD1  HIS  10           HD1      HIS  10  -7.686 -17.752   6.197
   57    HD2  HIS  10           HD2      HIS  10  -4.305 -18.456   3.887
   58    HE1  HIS  10           HE1      HIS  10  -5.822 -18.152   7.837
   59    H    ILE  11           H        ILE  11  -6.951 -14.849   5.072
   60    HA   ILE  11           HA       ILE  11  -9.278 -15.213   6.638
   61    HB   ILE  11           HB       ILE  11  -7.268 -12.960   6.718
   62   HG12  ILE  11          HG12      ILE  11  -6.743 -15.570   7.171
   63   HG13  ILE  11          HG13      ILE  11  -5.928 -14.259   8.016
   64   HG21  ILE  11          HG21      ILE  11  -9.462 -13.772   8.603
   65   HG22  ILE  11          HG22      ILE  11  -8.091 -12.787   9.111
   66   HG23  ILE  11          HG23      ILE  11  -9.183 -12.198   7.858
   67   HD11  ILE  11          HD11      ILE  11  -7.220 -14.550   9.941
   68   HD12  ILE  11          HD12      ILE  11  -8.419 -15.526   9.092
   69   HD13  ILE  11          HD13      ILE  11  -6.814 -16.183   9.412
   70    H    CYS  12           H        CYS  12  -8.349 -12.816   4.232
   71    HA   CYS  12           HA       CYS  12 -10.492 -11.025   4.694
   72    HB2  CYS  12           HB2      CYS  12  -9.070 -11.423   2.062
   73    HB3  CYS  12           HB3      CYS  12  -9.842  -9.959   2.662
   74    H    GLU  13           H        GLU  13 -10.027 -13.600   2.282
   75    HA   GLU  13           HA       GLU  13 -12.601 -13.298   1.119
   76    HB2  GLU  13           HB2      GLU  13 -10.379 -15.261   0.926
   77    HB3  GLU  13           HB3      GLU  13 -11.971 -15.805   0.418
   78    HG2  GLU  13           HG2      GLU  13 -11.178 -13.191  -0.640
   79    HG3  GLU  13           HG3      GLU  13 -10.181 -14.543  -1.175
   80    H    SER  14           H        SER  14 -11.275 -15.468   3.578
   81    HA   SER  14           HA       SER  14 -13.427 -17.183   3.902
   82    HB2  SER  14           HB2      SER  14 -11.218 -17.459   5.005
   83    HB3  SER  14           HB3      SER  14 -11.623 -16.135   6.097
   84    HG   SER  14           HG       SER  14 -12.047 -18.341   6.872
   85    H    PHE  15           H        PHE  15 -12.895 -13.972   5.262
   86    HA   PHE  15           HA       PHE  15 -15.706 -13.966   6.141
   87    HB2  PHE  15           HB2      PHE  15 -13.405 -12.601   7.554
   88    HB3  PHE  15           HB3      PHE  15 -15.091 -12.596   8.061
   89    HD1  PHE  15           HD1      PHE  15 -12.017 -14.554   7.848
   90    HD2  PHE  15           HD2      PHE  15 -16.091 -14.547   9.079
   91    HE1  PHE  15           HE1      PHE  15 -11.617 -16.591   9.170
   92    HE2  PHE  15           HE2      PHE  15 -15.698 -16.583  10.403
   93    HZ   PHE  15           HZ       PHE  15 -13.459 -17.607  10.451
   94    H    LYS  16           H        LYS  16 -14.961 -13.122   3.626
   95    HA   LYS  16           HA       LYS  16 -14.426 -10.330   3.506
   96    HB2  LYS  16           HB2      LYS  16 -15.138 -10.560   1.119
   97    HB3  LYS  16           HB3      LYS  16 -13.879 -11.687   1.606
   98    HG2  LYS  16           HG2      LYS  16 -15.122 -13.408   0.989
   99    HG3  LYS  16           HG3      LYS  16 -16.441 -12.881   2.037
  100    HD2  LYS  16           HD2      LYS  16 -16.059 -11.433  -0.527
  101    HD3  LYS  16           HD3      LYS  16 -16.710 -13.072  -0.604
  102    HE2  LYS  16           HE2      LYS  16 -18.538 -12.482   0.825
  103    HE3  LYS  16           HE3      LYS  16 -17.834 -10.900   1.157
  104    HZ1  LYS  16           HZ1      LYS  16 -18.019 -10.612  -1.388
  105    HZ2  LYS  16           HZ2      LYS  16 -19.403 -10.423  -0.436
  106    HZ3  LYS  16           HZ3      LYS  16 -19.155 -11.862  -1.291
  107    H    SER  17           H        SER  17 -17.337 -12.266   3.667
  108    HA   SER  17           HA       SER  17 -19.132 -10.147   2.995
  109    HB2  SER  17           HB2      SER  17 -19.387 -12.940   3.995
  110    HB3  SER  17           HB3      SER  17 -20.750 -11.855   4.271
  111    HG   SER  17           HG       SER  17 -21.252 -12.150   2.265
  112    H    PHE  18           H        PHE  18 -17.311 -10.837   5.736
  113    HA   PHE  18           HA       PHE  18 -19.182  -9.514   7.558
  114    HB2  PHE  18           HB2      PHE  18 -16.529 -10.842   8.152
  115    HB3  PHE  18           HB3      PHE  18 -17.672 -10.232   9.344
  116    HD1  PHE  18           HD2      PHE  18 -17.202 -12.769   6.695
  117    HD2  PHE  18           HD1      PHE  18 -19.467 -11.547  10.086
  118    HE1  PHE  18           HE2      PHE  18 -18.323 -14.959   6.731
  119    HE2  PHE  18           HE1      PHE  18 -20.591 -13.736  10.127
  120    HZ   PHE  18           HZ       PHE  18 -20.021 -15.444   8.448
  121    H    CYS  19           H        CYS  19 -17.312  -8.359   5.351
  122    HA   CYS  19           HA       CYS  19 -15.431  -6.707   6.674
  123    HB2  CYS  19           HB2      CYS  19 -16.607  -6.852   3.945
  124    HB3  CYS  19           HB3      CYS  19 -15.848  -5.335   4.415
  125    H    LYS  20           H        LYS  20 -18.833  -6.500   6.243
  126    HA   LYS  20           HA       LYS  20 -18.844  -3.668   7.020
  127    HB2  LYS  20           HB2      LYS  20 -21.277  -3.774   6.416
  128    HB3  LYS  20           HB3      LYS  20 -20.177  -4.066   5.075
  129    HG2  LYS  20           HG2      LYS  20 -21.175  -5.993   4.660
  130    HG3  LYS  20           HG3      LYS  20 -20.785  -6.564   6.284
  131    HD2  LYS  20           HD2      LYS  20 -23.063  -6.702   6.370
  132    HD3  LYS  20           HD3      LYS  20 -22.853  -5.038   6.922
  133    HE2  LYS  20           HE2      LYS  20 -23.187  -4.279   4.583
  134    HE3  LYS  20           HE3      LYS  20 -23.523  -5.948   4.125
  135    HZ1  LYS  20           HZ1      LYS  20 -25.129  -5.268   6.324
  136    HZ2  LYS  20           HZ2      LYS  20 -25.612  -5.675   4.756
  137    HZ3  LYS  20           HZ3      LYS  20 -25.300  -4.060   5.152
  138    H    ASP  21           H        ASP  21 -18.325  -6.037   8.783
  139    HA   ASP  21           HA       ASP  21 -20.631  -6.220  10.501
  140    HB2  ASP  21           HB2      ASP  21 -17.875  -7.373  10.491
  141    HB3  ASP  21           HB3      ASP  21 -18.774  -7.358  12.006
  142    H    SER  22           H        SER  22 -20.942  -5.269  12.474
  143    HA   SER  22           HA       SER  22 -19.514  -2.811  12.940
  144    HB2  SER  22           HB2      SER  22 -21.122  -2.790  15.000
  145    HB3  SER  22           HB3      SER  22 -21.791  -2.578  13.382
  146    HG   SER  22           HG       SER  22 -23.034  -4.117  14.314
  147    H    GLY  23           H        GLY  23 -19.364  -6.048  14.092
  148    HA2  GLY  23           HA2      GLY  23 -18.131  -5.455  16.617
  149    HA3  GLY  23           HA3      GLY  23 -18.235  -7.033  15.852
  150    H    ARG  24           H        ARG  24 -15.973  -6.814  17.001
  151    HA   ARG  24           HA       ARG  24 -13.909  -5.349  15.829
  152    HB2  ARG  24           HB2      ARG  24 -13.624  -8.097  17.047
  153    HB3  ARG  24           HB3      ARG  24 -12.394  -6.846  16.939
  154    HG2  ARG  24           HG2      ARG  24 -14.424  -5.598  18.310
  155    HG3  ARG  24           HG3      ARG  24 -14.476  -7.252  18.923
  156    HD2  ARG  24           HD2      ARG  24 -11.971  -7.060  19.250
  157    HD3  ARG  24           HD3      ARG  24 -12.158  -5.335  18.938
  158    HE   ARG  24           HE       ARG  24 -13.974  -5.971  20.922
  159   HH11  ARG  24          HH11      ARG  24 -10.521  -6.062  20.488
  160   HH12  ARG  24          HH12      ARG  24 -10.172  -5.814  22.167
  161   HH21  ARG  24          HH21      ARG  24 -13.528  -5.644  23.135
  162   HH22  ARG  24          HH22      ARG  24 -11.883  -5.577  23.672
  163    H    ASN  25           H        ASN  25 -15.344  -8.420  14.921
  164    HA   ASN  25           HA       ASN  25 -13.440  -9.387  13.157
  165    HB2  ASN  25           HB2      ASN  25 -16.388  -9.684  13.430
  166    HB3  ASN  25           HB3      ASN  25 -15.664 -10.205  11.911
  167   HD21  ASN  25          HD21      ASN  25 -16.406 -11.075  15.042
  168   HD22  ASN  25          HD22      ASN  25 -15.442 -12.505  15.156
  169    H    GLY  26           H        GLY  26 -16.078  -7.089  12.546
  170    HA2  GLY  26           HA2      GLY  26 -15.543  -6.791   9.773
  171    HA3  GLY  26           HA3      GLY  26 -16.495  -5.696  10.765
  172    H    VAL  27           H        VAL  27 -14.705  -4.758  12.574
  173    HA   VAL  27           HA       VAL  27 -13.363  -2.752  11.172
  174    HB   VAL  27           HB       VAL  27 -12.680  -3.723  13.949
  175   HG11  VAL  27          HG11      VAL  27 -12.421  -1.002  13.914
  176   HG12  VAL  27          HG12      VAL  27 -11.095  -2.153  13.731
  177   HG13  VAL  27          HG13      VAL  27 -11.857  -1.449  12.304
  178   HG21  VAL  27          HG21      VAL  27 -15.019  -3.348  13.947
  179   HG22  VAL  27          HG22      VAL  27 -14.288  -1.908  14.656
  180   HG23  VAL  27          HG23      VAL  27 -14.855  -1.878  12.986
  181    H    LYS  28           H        LYS  28 -12.090  -5.718  12.661
  182    HA   LYS  28           HA       LYS  28  -9.392  -5.279  11.975
  183    HB2  LYS  28           HB2      LYS  28 -10.912  -7.826  12.546
  184    HB3  LYS  28           HB3      LYS  28  -9.168  -7.762  12.329
  185    HG2  LYS  28           HG2      LYS  28  -8.815  -6.722  14.332
  186    HG3  LYS  28           HG3      LYS  28 -10.409  -5.964  14.345
  187    HD2  LYS  28           HD2      LYS  28 -10.505  -7.610  16.019
  188    HD3  LYS  28           HD3      LYS  28 -11.343  -8.319  14.637
  189    HE2  LYS  28           HE2      LYS  28  -9.507  -9.702  14.108
  190    HE3  LYS  28           HE3      LYS  28  -8.423  -8.798  15.164
  191    HZ1  LYS  28           HZ1      LYS  28  -8.925 -10.728  16.340
  192    HZ2  LYS  28           HZ2      LYS  28 -10.562 -10.692  15.918
  193    HZ3  LYS  28           HZ3      LYS  28  -9.950  -9.571  17.027
  194    H    LEU  29           H        LEU  29 -12.100  -6.498  10.179
  195    HA   LEU  29           HA       LEU  29 -10.602  -7.788   8.124
  196    HB2  LEU  29           HB2      LEU  29 -13.435  -6.941   8.488
  197    HB3  LEU  29           HB3      LEU  29 -12.875  -7.363   6.871
  198    HG   LEU  29           HG       LEU  29 -12.608  -9.226   9.220
  199   HD11  LEU  29          HD11      LEU  29 -14.843  -9.136   7.199
  200   HD12  LEU  29          HD12      LEU  29 -14.977  -8.645   8.887
  201   HD13  LEU  29          HD13      LEU  29 -14.630 -10.326   8.482
  202   HD21  LEU  29          HD21      LEU  29 -11.239  -9.480   7.072
  203   HD22  LEU  29          HD22      LEU  29 -12.767  -9.902   6.300
  204   HD23  LEU  29          HD23      LEU  29 -12.152 -10.881   7.632
  205    H    ARG  30           H        ARG  30 -12.212  -4.627   8.367
  206    HA   ARG  30           HA       ARG  30 -11.453  -3.738   5.789
  207    HB2  ARG  30           HB2      ARG  30 -12.257  -2.198   8.262
  208    HB3  ARG  30           HB3      ARG  30 -12.036  -1.471   6.676
  209    HG2  ARG  30           HG2      ARG  30 -13.760  -3.480   6.090
  210    HG3  ARG  30           HG3      ARG  30 -14.258  -3.061   7.731
  211    HD2  ARG  30           HD2      ARG  30 -13.777  -0.694   6.153
  212    HD3  ARG  30           HD3      ARG  30 -14.948  -1.751   5.365
  213    HE   ARG  30           HE       ARG  30 -15.473  -1.328   8.158
  214   HH11  ARG  30          HH11      ARG  30 -15.939  -0.085   4.940
  215   HH12  ARG  30          HH12      ARG  30 -17.370   0.801   5.349
  216   HH21  ARG  30          HH21      ARG  30 -17.356  -0.166   8.709
  217   HH22  ARG  30          HH22      ARG  30 -18.175   0.755   7.493
  218    H    ALA  31           H        ALA  31  -9.698  -4.125   8.664
  219    HA   ALA  31           HA       ALA  31  -7.717  -2.091   8.006
  220    HB1  ALA  31           HB1      ALA  31  -7.673  -4.066  10.281
  221    HB2  ALA  31           HB2      ALA  31  -6.701  -2.603  10.111
  222    HB3  ALA  31           HB3      ALA  31  -8.443  -2.481  10.358
  223    H    ASN  32           H        ASN  32  -7.716  -5.606   8.629
  224    HA   ASN  32           HA       ASN  32  -5.104  -5.935   7.493
  225    HB2  ASN  32           HB2      ASN  32  -7.166  -8.031   8.209
  226    HB3  ASN  32           HB3      ASN  32  -5.461  -8.325   7.879
  227   HD21  ASN  32          HD21      ASN  32  -7.581  -8.203  10.276
  228   HD22  ASN  32          HD22      ASN  32  -6.580  -7.647  11.571
  229    H    CYS  33           H        CYS  33  -8.192  -5.625   6.197
  230    HA   CYS  33           HA       CYS  33  -7.230  -6.553   3.595
  231    HB2  CYS  33           HB2      CYS  33 -10.007  -7.242   4.547
  232    HB3  CYS  33           HB3      CYS  33  -9.170  -7.839   3.118
  233    H    LYS  34           H        LYS  34  -7.082  -4.058   3.805
  234    HA   LYS  34           HA       LYS  34  -9.414  -2.486   3.664
  235    HB2  LYS  34           HB2      LYS  34  -6.789  -1.787   2.358
  236    HB3  LYS  34           HB3      LYS  34  -7.999  -0.691   3.012
  237    HG2  LYS  34           HG2      LYS  34  -7.358  -2.163   5.208
  238    HG3  LYS  34           HG3      LYS  34  -5.816  -2.106   4.350
  239    HD2  LYS  34           HD2      LYS  34  -7.150   0.471   4.368
  240    HD3  LYS  34           HD3      LYS  34  -6.865  -0.139   6.000
  241    HE2  LYS  34           HE2      LYS  34  -4.625   0.062   5.822
  242    HE3  LYS  34           HE3      LYS  34  -4.611  -0.428   4.129
  243    HZ1  LYS  34           HZ1      LYS  34  -5.289   1.755   3.477
  244    HZ2  LYS  34           HZ2      LYS  34  -3.942   1.904   4.489
  245    HZ3  LYS  34           HZ3      LYS  34  -5.489   2.241   5.085
  246    H    LYS  35           H        LYS  35  -7.917  -4.540   1.377
  247    HA   LYS  35           HA       LYS  35  -9.130  -3.236  -0.922
  248    HB2  LYS  35           HB2      LYS  35  -6.830  -4.364  -0.913
  249    HB3  LYS  35           HB3      LYS  35  -7.704  -5.890  -0.917
  250    HG2  LYS  35           HG2      LYS  35  -7.161  -5.450  -3.159
  251    HG3  LYS  35           HG3      LYS  35  -8.877  -5.068  -2.998
  252    HD2  LYS  35           HD2      LYS  35  -7.467  -2.708  -2.384
  253    HD3  LYS  35           HD3      LYS  35  -6.714  -3.380  -3.833
  254    HE2  LYS  35           HE2      LYS  35  -9.364  -3.692  -4.388
  255    HE3  LYS  35           HE3      LYS  35  -9.372  -2.196  -3.456
  256    HZ1  LYS  35           HZ1      LYS  35  -8.845  -1.228  -5.376
  257    HZ2  LYS  35           HZ2      LYS  35  -8.413  -2.686  -6.117
  258    HZ3  LYS  35           HZ3      LYS  35  -7.290  -1.860  -5.159
  259    H    THR  36           H        THR  36  -9.248  -6.489   0.541
  260    HA   THR  36           HA       THR  36 -11.316  -7.552  -0.933
  261    HB   THR  36           HB       THR  36 -10.774  -8.019   2.006
  262    HG1  THR  36           HG1      THR  36  -9.730  -9.138  -0.382
  263   HG21  THR  36          HG21      THR  36 -11.914 -10.140   1.708
  264   HG22  THR  36          HG22      THR  36 -12.214  -9.770   0.010
  265   HG23  THR  36          HG23      THR  36 -12.995  -8.818   1.272
  266    H    CYS  37           H        CYS  37 -11.453  -5.214   1.646
  267    HA   CYS  37           HA       CYS  37 -14.355  -5.409   1.840
  268    HB2  CYS  37           HB2      CYS  37 -12.381  -3.638   3.298
  269    HB3  CYS  37           HB3      CYS  37 -14.112  -3.697   3.617
  270    H    GLY  38           H        GLY  38 -11.888  -3.403   0.426
  271    HA2  GLY  38           HA2      GLY  38 -12.180  -1.884  -1.321
  272    HA3  GLY  38           HA3      GLY  38 -13.917  -1.963  -1.067
  273    H    LEU  39           H        LEU  39 -10.917  -0.527   0.067
  274    HA   LEU  39           HA       LEU  39 -12.496   1.687   1.188
  275    HB2  LEU  39           HB2      LEU  39 -10.058   0.384   2.385
  276    HB3  LEU  39           HB3      LEU  39 -10.715   1.926   2.928
  277    HG   LEU  39           HG       LEU  39 -12.541  -0.416   2.911
  278   HD11  LEU  39          HD11      LEU  39 -11.457  -1.644   4.408
  279   HD12  LEU  39          HD12      LEU  39 -11.128  -0.235   5.417
  280   HD13  LEU  39          HD13      LEU  39 -10.033  -0.650   4.097
  281   HD21  LEU  39          HD21      LEU  39 -13.082   1.995   3.584
  282   HD22  LEU  39          HD22      LEU  39 -12.139   1.664   5.037
  283   HD23  LEU  39          HD23      LEU  39 -13.577   0.706   4.680
  284    H    CYS  40           H        CYS  40 -10.419   0.799  -1.143
  285    HA   CYS  40           HA       CYS  40  -8.457   2.854  -1.062
  286    HB2  CYS  40           HB2      CYS  40  -9.435   1.423  -3.534
  287    HB3  CYS  40           HB3      CYS  40  -7.855   2.152  -3.265
  Start of MODEL    5
    1    H1   ALA   1           H        ALA   1  -0.262   7.393   2.026
    2    HA   ALA   1           HA       ALA   1  -0.883   5.533   3.188
    3    HB1  ALA   1           HB1      ALA   1  -3.740   5.732   2.758
    4    HB2  ALA   1           HB2      ALA   1  -2.806   5.914   4.243
    5    HB3  ALA   1           HB3      ALA   1  -3.023   7.292   3.164
    6    H    ALA   2           H        ALA   2  -0.262   3.718   2.173
    7    HA   ALA   2           HA       ALA   2  -1.293   2.819  -0.305
    8    HB1  ALA   2           HB1      ALA   2   0.906   2.219   1.130
    9    HB2  ALA   2           HB2      ALA   2  -0.092   0.807   1.481
   10    HB3  ALA   2           HB3      ALA   2   0.293   1.221  -0.189
   11    H    CYS   3           H        CYS   3  -2.736   1.181  -0.795
   12    HA   CYS   3           HA       CYS   3  -4.353   0.149   1.439
   13    HB2  CYS   3           HB2      CYS   3  -5.690   1.865   0.454
   14    HB3  CYS   3           HB3      CYS   3  -5.313   1.314  -1.175
   15    H    SER   4           H        SER   4  -4.437  -1.991   1.480
   16    HA   SER   4           HA       SER   4  -4.913  -3.637  -0.742
   17    HB2  SER   4           HB2      SER   4  -2.058  -3.135  -0.066
   18    HB3  SER   4           HB3      SER   4  -2.517  -4.796  -0.441
   19    HG   SER   4           HG       SER   4  -2.389  -4.188  -2.441
   20    H    ASP   5           H        ASP   5  -4.033  -6.034  -0.089
   21    HA   ASP   5           HA       ASP   5  -5.241  -6.496   2.522
   22    HB2  ASP   5           HB2      ASP   5  -4.301  -8.616   0.597
   23    HB3  ASP   5           HB3      ASP   5  -5.525  -8.750   1.857
   24    H    ARG   6           H        ARG   6  -4.158  -7.098   4.294
   25    HA   ARG   6           HA       ARG   6  -1.299  -7.752   3.997
   26    HB2  ARG   6           HB2      ARG   6  -1.336  -6.865   6.501
   27    HB3  ARG   6           HB3      ARG   6  -1.138  -5.777   5.134
   28    HG2  ARG   6           HG2      ARG   6  -3.878  -6.356   6.154
   29    HG3  ARG   6           HG3      ARG   6  -2.840  -5.228   7.028
   30    HD2  ARG   6           HD2      ARG   6  -3.057  -4.884   4.092
   31    HD3  ARG   6           HD3      ARG   6  -4.469  -4.462   5.060
   32    HE   ARG   6           HE       ARG   6  -3.233  -2.747   6.080
   33   HH11  ARG   6          HH11      ARG   6  -1.375  -4.497   3.713
   34   HH12  ARG   6          HH12      ARG   6  -0.143  -3.284   3.592
   35   HH21  ARG   6          HH21      ARG   6  -1.618  -1.143   5.929
   36   HH22  ARG   6          HH22      ARG   6  -0.282  -1.377   4.854
   37    H    ALA   7           H        ALA   7  -4.348  -8.637   5.345
   38    HA   ALA   7           HA       ALA   7  -3.661 -10.300   7.441
   39    HB1  ALA   7           HB1      ALA   7  -5.804 -11.038   7.377
   40    HB2  ALA   7           HB2      ALA   7  -5.983  -9.651   6.302
   41    HB3  ALA   7           HB3      ALA   7  -5.790 -11.269   5.628
   42    H    HIS   8           H        HIS   8  -3.989 -12.790   7.327
   43    HA   HIS   8           HA       HIS   8  -1.788 -13.924   6.085
   44    HB2  HIS   8           HB2      HIS   8  -4.257 -14.988   7.356
   45    HB3  HIS   8           HB3      HIS   8  -3.321 -16.103   6.364
   46    HD1  HIS   8           HD1      HIS   8  -1.760 -13.449   8.537
   47    HD2  HIS   8           HD2      HIS   8  -2.272 -17.571   8.449
   48    HE1  HIS   8           HE1      HIS   8  -0.307 -14.346  10.383
   49    H    GLY   9           H        GLY   9  -4.948 -13.273   4.816
   50    HA2  GLY   9           HA2      GLY   9  -4.887 -13.094   2.308
   51    HA3  GLY   9           HA3      GLY   9  -4.230 -14.723   2.343
   52    H    HIS  10           H        HIS  10  -5.656 -16.334   3.570
   53    HA   HIS  10           HA       HIS  10  -8.195 -16.379   2.296
   54    HB2  HIS  10           HB2      HIS  10  -7.319 -18.142   4.585
   55    HB3  HIS  10           HB3      HIS  10  -8.510 -18.507   3.340
   56    HD1  HIS  10           HD1      HIS  10  -4.938 -18.770   4.112
   57    HD2  HIS  10           HD2      HIS  10  -7.346 -18.983   0.734
   58    HE1  HIS  10           HE1      HIS  10  -3.516 -19.847   2.340
   59    H    ILE  11           H        ILE  11  -7.099 -14.950   5.159
   60    HA   ILE  11           HA       ILE  11  -9.389 -15.192   6.794
   61    HB   ILE  11           HB       ILE  11  -7.274 -13.039   6.734
   62   HG12  ILE  11          HG12      ILE  11  -6.828 -15.590   7.317
   63   HG13  ILE  11          HG13      ILE  11  -6.063 -14.294   8.231
   64   HG21  ILE  11          HG21      ILE  11  -9.109 -12.057   7.822
   65   HG22  ILE  11          HG22      ILE  11  -9.529 -13.558   8.646
   66   HG23  ILE  11          HG23      ILE  11  -8.083 -12.667   9.121
   67   HD11  ILE  11          HD11      ILE  11  -8.660 -15.498   9.106
   68   HD12  ILE  11          HD12      ILE  11  -7.108 -16.224   9.526
   69   HD13  ILE  11          HD13      ILE  11  -7.485 -14.583  10.051
   70    H    CYS  12           H        CYS  12  -8.428 -12.824   4.355
   71    HA   CYS  12           HA       CYS  12 -10.620 -11.064   4.810
   72    HB2  CYS  12           HB2      CYS  12  -9.076 -11.301   2.231
   73    HB3  CYS  12           HB3      CYS  12  -9.871  -9.878   2.896
   74    H    GLU  13           H        GLU  13  -9.973 -13.594   2.402
   75    HA   GLU  13           HA       GLU  13 -12.413 -13.282   1.003
   76    HB2  GLU  13           HB2      GLU  13 -10.167 -14.587   0.430
   77    HB3  GLU  13           HB3      GLU  13 -11.068 -15.939   1.100
   78    HG2  GLU  13           HG2      GLU  13 -12.754 -14.538  -0.712
   79    HG3  GLU  13           HG3      GLU  13 -11.208 -14.851  -1.498
   80    H    SER  14           H        SER  14 -11.395 -15.522   3.562
   81    HA   SER  14           HA       SER  14 -13.674 -17.088   3.719
   82    HB2  SER  14           HB2      SER  14 -11.553 -17.503   4.964
   83    HB3  SER  14           HB3      SER  14 -11.977 -16.188   6.059
   84    HG   SER  14           HG       SER  14 -13.883 -17.382   6.581
   85    H    PHE  15           H        PHE  15 -12.986 -13.991   5.297
   86    HA   PHE  15           HA       PHE  15 -15.846 -13.801   5.981
   87    HB2  PHE  15           HB2      PHE  15 -13.565 -12.482   7.462
   88    HB3  PHE  15           HB3      PHE  15 -15.263 -12.493   7.927
   89    HD1  PHE  15           HD1      PHE  15 -12.187 -14.470   7.718
   90    HD2  PHE  15           HD2      PHE  15 -16.255 -14.414   8.970
   91    HE1  PHE  15           HE1      PHE  15 -11.806 -16.512   9.037
   92    HE2  PHE  15           HE2      PHE  15 -15.880 -16.455  10.292
   93    HZ   PHE  15           HZ       PHE  15 -13.653 -17.506  10.327
   94    H    LYS  16           H        LYS  16 -15.050 -13.025   3.491
   95    HA   LYS  16           HA       LYS  16 -14.338 -10.268   3.350
   96    HB2  LYS  16           HB2      LYS  16 -15.020 -10.487   0.952
   97    HB3  LYS  16           HB3      LYS  16 -13.831 -11.672   1.476
   98    HG2  LYS  16           HG2      LYS  16 -15.145 -13.304   0.775
   99    HG3  LYS  16           HG3      LYS  16 -16.402 -12.784   1.900
  100    HD2  LYS  16           HD2      LYS  16 -16.128 -11.207  -0.585
  101    HD3  LYS  16           HD3      LYS  16 -16.737 -12.854  -0.765
  102    HE2  LYS  16           HE2      LYS  16 -18.419 -12.327   1.015
  103    HE3  LYS  16           HE3      LYS  16 -17.880 -10.650   0.945
  104    HZ1  LYS  16           HZ1      LYS  16 -18.628 -10.451  -1.267
  105    HZ2  LYS  16           HZ2      LYS  16 -19.885 -11.207  -0.425
  106    HZ3  LYS  16           HZ3      LYS  16 -18.874 -12.117  -1.430
  107    H    SER  17           H        SER  17 -17.367 -12.042   3.398
  108    HA   SER  17           HA       SER  17 -18.984  -9.758   2.758
  109    HB2  SER  17           HB2      SER  17 -19.980 -11.792   2.150
  110    HB3  SER  17           HB3      SER  17 -19.565 -12.562   3.681
  111    HG   SER  17           HG       SER  17 -21.796 -11.233   3.017
  112    H    PHE  18           H        PHE  18 -17.277 -10.604   5.462
  113    HA   PHE  18           HA       PHE  18 -19.212  -9.503   7.358
  114    HB2  PHE  18           HB2      PHE  18 -16.508 -10.787   7.800
  115    HB3  PHE  18           HB3      PHE  18 -17.559 -10.196   9.083
  116    HD1  PHE  18           HD2      PHE  18 -17.425 -12.608   6.265
  117    HD2  PHE  18           HD1      PHE  18 -19.192 -11.573   9.996
  118    HE1  PHE  18           HE2      PHE  18 -18.566 -14.787   6.325
  119    HE2  PHE  18           HE1      PHE  18 -20.336 -13.751  10.062
  120    HZ   PHE  18           HZ       PHE  18 -20.024 -15.361   8.225
  121    H    CYS  19           H        CYS  19 -17.114  -8.247   5.264
  122    HA   CYS  19           HA       CYS  19 -15.470  -6.522   6.737
  123    HB2  CYS  19           HB2      CYS  19 -16.553  -6.520   3.948
  124    HB3  CYS  19           HB3      CYS  19 -15.745  -5.075   4.548
  125    H    LYS  20           H        LYS  20 -18.850  -6.374   5.963
  126    HA   LYS  20           HA       LYS  20 -19.035  -3.608   6.908
  127    HB2  LYS  20           HB2      LYS  20 -21.424  -3.801   6.160
  128    HB3  LYS  20           HB3      LYS  20 -20.236  -3.986   4.877
  129    HG2  LYS  20           HG2      LYS  20 -21.110  -5.939   4.329
  130    HG3  LYS  20           HG3      LYS  20 -20.790  -6.557   5.951
  131    HD2  LYS  20           HD2      LYS  20 -23.149  -4.789   5.577
  132    HD3  LYS  20           HD3      LYS  20 -23.245  -6.435   4.948
  133    HE2  LYS  20           HE2      LYS  20 -22.159  -6.765   7.464
  134    HE3  LYS  20           HE3      LYS  20 -23.335  -5.472   7.693
  135    HZ1  LYS  20           HZ1      LYS  20 -24.609  -7.342   6.138
  136    HZ2  LYS  20           HZ2      LYS  20 -24.867  -7.055   7.784
  137    HZ3  LYS  20           HZ3      LYS  20 -23.778  -8.253   7.296
  138    H    ASP  21           H        ASP  21 -18.587  -6.147   8.545
  139    HA   ASP  21           HA       ASP  21 -20.964  -6.382  10.153
  140    HB2  ASP  21           HB2      ASP  21 -19.188  -8.199   9.712
  141    HB3  ASP  21           HB3      ASP  21 -18.232  -7.374  10.940
  142    H    SER  22           H        SER  22 -21.491  -5.241  11.902
  143    HA   SER  22           HA       SER  22 -19.799  -3.057  12.724
  144    HB2  SER  22           HB2      SER  22 -21.727  -2.623  14.339
  145    HB3  SER  22           HB3      SER  22 -22.118  -2.547  12.621
  146    HG   SER  22           HG       SER  22 -23.657  -3.772  13.771
  147    H    GLY  23           H        GLY  23 -18.276  -5.095  13.294
  148    HA2  GLY  23           HA2      GLY  23 -18.216  -5.109  16.201
  149    HA3  GLY  23           HA3      GLY  23 -18.404  -6.682  15.442
  150    H    ARG  24           H        ARG  24 -16.295  -6.667  16.890
  151    HA   ARG  24           HA       ARG  24 -13.939  -5.488  16.063
  152    HB2  ARG  24           HB2      ARG  24 -14.177  -8.308  17.120
  153    HB3  ARG  24           HB3      ARG  24 -12.779  -7.247  17.233
  154    HG2  ARG  24           HG2      ARG  24 -14.859  -5.822  18.415
  155    HG3  ARG  24           HG3      ARG  24 -15.052  -7.482  18.981
  156    HD2  ARG  24           HD2      ARG  24 -12.435  -7.278  19.326
  157    HD3  ARG  24           HD3      ARG  24 -12.827  -5.562  19.426
  158    HE   ARG  24           HE       ARG  24 -14.567  -7.021  21.089
  159   HH11  ARG  24          HH11      ARG  24 -11.238  -6.027  20.872
  160   HH12  ARG  24          HH12      ARG  24 -10.992  -6.020  22.587
  161   HH21  ARG  24          HH21      ARG  24 -14.256  -7.015  23.349
  162   HH22  ARG  24          HH22      ARG  24 -12.709  -6.583  23.995
  163    H    ASN  25           H        ASN  25 -15.474  -8.442  14.873
  164    HA   ASN  25           HA       ASN  25 -13.422  -9.340  13.207
  165    HB2  ASN  25           HB2      ASN  25 -16.367  -9.741  13.341
  166    HB3  ASN  25           HB3      ASN  25 -15.560 -10.201  11.844
  167   HD21  ASN  25          HD21      ASN  25 -16.764 -12.144  13.184
  168   HD22  ASN  25          HD22      ASN  25 -15.621 -13.166  13.980
  169    H    GLY  26           H        GLY  26 -16.014  -7.009  12.614
  170    HA2  GLY  26           HA2      GLY  26 -15.483  -6.665   9.846
  171    HA3  GLY  26           HA3      GLY  26 -16.393  -5.562  10.868
  172    H    VAL  27           H        VAL  27 -14.532  -4.761  12.698
  173    HA   VAL  27           HA       VAL  27 -13.152  -2.746  11.347
  174    HB   VAL  27           HB       VAL  27 -12.492  -3.859  14.077
  175   HG11  VAL  27          HG11      VAL  27 -10.770  -2.428  13.822
  176   HG12  VAL  27          HG12      VAL  27 -11.567  -1.531  12.528
  177   HG13  VAL  27          HG13      VAL  27 -11.987  -1.212  14.211
  178   HG21  VAL  27          HG21      VAL  27 -13.963  -1.499  14.332
  179   HG22  VAL  27          HG22      VAL  27 -14.812  -2.446  13.111
  180   HG23  VAL  27          HG23      VAL  27 -14.502  -3.137  14.704
  181    H    LYS  28           H        LYS  28 -11.956  -5.812  12.686
  182    HA   LYS  28           HA       LYS  28  -9.257  -5.436  11.963
  183    HB2  LYS  28           HB2      LYS  28 -10.844  -7.960  12.452
  184    HB3  LYS  28           HB3      LYS  28  -9.101  -7.928  12.227
  185    HG2  LYS  28           HG2      LYS  28 -10.554  -6.444  14.404
  186    HG3  LYS  28           HG3      LYS  28  -9.814  -8.034  14.598
  187    HD2  LYS  28           HD2      LYS  28  -7.749  -6.652  13.532
  188    HD3  LYS  28           HD3      LYS  28  -8.569  -5.369  14.424
  189    HE2  LYS  28           HE2      LYS  28  -8.131  -7.970  15.794
  190    HE3  LYS  28           HE3      LYS  28  -6.738  -6.917  15.553
  191    HZ1  LYS  28           HZ1      LYS  28  -9.037  -6.580  17.293
  192    HZ2  LYS  28           HZ2      LYS  28  -8.513  -5.180  16.502
  193    HZ3  LYS  28           HZ3      LYS  28  -7.443  -6.045  17.486
  194    H    LEU  29           H        LEU  29 -12.039  -6.521  10.186
  195    HA   LEU  29           HA       LEU  29 -10.632  -7.771   8.050
  196    HB2  LEU  29           HB2      LEU  29 -13.423  -6.815   8.489
  197    HB3  LEU  29           HB3      LEU  29 -12.902  -7.225   6.856
  198    HG   LEU  29           HG       LEU  29 -12.710  -9.144   9.168
  199   HD11  LEU  29          HD11      LEU  29 -14.775 -10.111   8.505
  200   HD12  LEU  29          HD12      LEU  29 -14.896  -9.050   7.102
  201   HD13  LEU  29          HD13      LEU  29 -15.060  -8.385   8.727
  202   HD21  LEU  29          HD21      LEU  29 -12.838  -9.729   6.224
  203   HD22  LEU  29          HD22      LEU  29 -12.339 -10.796   7.536
  204   HD23  LEU  29          HD23      LEU  29 -11.314  -9.439   7.063
  205    H    ARG  30           H        ARG  30 -12.079  -4.554   8.467
  206    HA   ARG  30           HA       ARG  30 -11.324  -3.603   5.900
  207    HB2  ARG  30           HB2      ARG  30 -12.052  -2.110   8.426
  208    HB3  ARG  30           HB3      ARG  30 -11.848  -1.358   6.849
  209    HG2  ARG  30           HG2      ARG  30 -13.635  -3.319   6.271
  210    HG3  ARG  30           HG3      ARG  30 -14.088  -2.905   7.926
  211    HD2  ARG  30           HD2      ARG  30 -13.576  -0.532   6.367
  212    HD3  ARG  30           HD3      ARG  30 -14.787  -1.549   5.587
  213    HE   ARG  30           HE       ARG  30 -15.236  -1.127   8.400
  214   HH11  ARG  30          HH11      ARG  30 -15.787   0.085   5.183
  215   HH12  ARG  30          HH12      ARG  30 -17.202   0.982   5.623
  216   HH21  ARG  30          HH21      ARG  30 -17.099   0.050   8.991
  217   HH22  ARG  30          HH22      ARG  30 -17.947   0.962   7.789
  218    H    ALA  31           H        ALA  31  -9.575  -4.145   8.754
  219    HA   ALA  31           HA       ALA  31  -7.518  -2.172   8.117
  220    HB1  ALA  31           HB1      ALA  31  -7.662  -4.112  10.422
  221    HB2  ALA  31           HB2      ALA  31  -6.510  -2.790  10.233
  222    HB3  ALA  31           HB3      ALA  31  -8.224  -2.440  10.457
  223    H    ASN  32           H        ASN  32  -7.710  -5.684   8.720
  224    HA   ASN  32           HA       ASN  32  -5.089  -6.137   7.635
  225    HB2  ASN  32           HB2      ASN  32  -7.271  -8.099   8.378
  226    HB3  ASN  32           HB3      ASN  32  -5.608  -8.526   7.984
  227   HD21  ASN  32          HD21      ASN  32  -7.625  -8.232  10.459
  228   HD22  ASN  32          HD22      ASN  32  -6.534  -7.766  11.715
  229    H    CYS  33           H        CYS  33  -8.139  -5.680   6.297
  230    HA   CYS  33           HA       CYS  33  -7.188  -6.660   3.710
  231    HB2  CYS  33           HB2      CYS  33 -10.029  -7.191   4.537
  232    HB3  CYS  33           HB3      CYS  33  -9.109  -7.918   3.224
  233    H    LYS  34           H        LYS  34  -6.950  -4.150   4.000
  234    HA   LYS  34           HA       LYS  34  -9.186  -2.474   3.811
  235    HB2  LYS  34           HB2      LYS  34  -6.502  -1.949   2.533
  236    HB3  LYS  34           HB3      LYS  34  -7.672  -0.762   3.096
  237    HG2  LYS  34           HG2      LYS  34  -7.169  -2.215   5.362
  238    HG3  LYS  34           HG3      LYS  34  -5.597  -2.190   4.559
  239    HD2  LYS  34           HD2      LYS  34  -5.322   0.023   4.891
  240    HD3  LYS  34           HD3      LYS  34  -7.025   0.382   4.593
  241    HE2  LYS  34           HE2      LYS  34  -6.625   0.910   6.863
  242    HE3  LYS  34           HE3      LYS  34  -7.505  -0.618   6.861
  243    HZ1  LYS  34           HZ1      LYS  34  -5.604  -0.569   8.413
  244    HZ2  LYS  34           HZ2      LYS  34  -4.555  -0.392   7.098
  245    HZ3  LYS  34           HZ3      LYS  34  -5.480  -1.799   7.257
  246    H    LYS  35           H        LYS  35  -7.804  -4.612   1.530
  247    HA   LYS  35           HA       LYS  35  -8.964  -3.256  -0.768
  248    HB2  LYS  35           HB2      LYS  35  -6.709  -4.484  -0.758
  249    HB3  LYS  35           HB3      LYS  35  -7.653  -5.967  -0.779
  250    HG2  LYS  35           HG2      LYS  35  -7.053  -5.498  -3.016
  251    HG3  LYS  35           HG3      LYS  35  -8.769  -5.114  -2.858
  252    HD2  LYS  35           HD2      LYS  35  -7.371  -2.764  -2.205
  253    HD3  LYS  35           HD3      LYS  35  -6.592  -3.417  -3.648
  254    HE2  LYS  35           HE2      LYS  35  -9.575  -3.222  -3.477
  255    HE3  LYS  35           HE3      LYS  35  -8.609  -1.812  -3.911
  256    HZ1  LYS  35           HZ1      LYS  35  -7.800  -4.088  -5.400
  257    HZ2  LYS  35           HZ2      LYS  35  -8.355  -2.590  -5.956
  258    HZ3  LYS  35           HZ3      LYS  35  -9.459  -3.820  -5.594
  259    H    THR  36           H        THR  36  -9.220  -6.481   0.734
  260    HA   THR  36           HA       THR  36 -11.324  -7.480  -0.740
  261    HB   THR  36           HB       THR  36 -10.799  -7.931   2.204
  262    HG1  THR  36           HG1      THR  36 -10.000  -9.467  -0.062
  263   HG21  THR  36          HG21      THR  36 -13.056  -8.639   1.519
  264   HG22  THR  36          HG22      THR  36 -12.029 -10.016   1.922
  265   HG23  THR  36          HG23      THR  36 -12.348  -9.617   0.234
  266    H    CYS  37           H        CYS  37 -11.367  -5.072   1.765
  267    HA   CYS  37           HA       CYS  37 -14.281  -5.151   1.947
  268    HB2  CYS  37           HB2      CYS  37 -12.259  -3.461   3.434
  269    HB3  CYS  37           HB3      CYS  37 -13.993  -3.472   3.737
  270    H    GLY  38           H        GLY  38 -11.710  -3.303   0.527
  271    HA2  GLY  38           HA2      GLY  38 -11.890  -1.752  -1.198
  272    HA3  GLY  38           HA3      GLY  38 -13.635  -1.759  -0.986
  273    H    LEU  39           H        LEU  39 -10.606  -0.458   0.239
  274    HA   LEU  39           HA       LEU  39 -12.123   1.814   1.334
  275    HB2  LEU  39           HB2      LEU  39  -9.741   0.425   2.545
  276    HB3  LEU  39           HB3      LEU  39 -10.345   1.990   3.087
  277    HG   LEU  39           HG       LEU  39 -12.270  -0.267   3.050
  278   HD11  LEU  39          HD11      LEU  39 -10.867  -0.211   5.558
  279   HD12  LEU  39          HD12      LEU  39  -9.768  -0.623   4.242
  280   HD13  LEU  39          HD13      LEU  39 -11.227  -1.578   4.503
  281   HD21  LEU  39          HD21      LEU  39 -13.192   0.860   4.914
  282   HD22  LEU  39          HD22      LEU  39 -12.765   2.110   3.745
  283   HD23  LEU  39          HD23      LEU  39 -11.733   1.823   5.147
  284    H    CYS  40           H        CYS  40 -10.028   0.853  -0.966
  285    HA   CYS  40           HA       CYS  40  -8.021   2.862  -0.863
  286    HB2  CYS  40           HB2      CYS  40  -8.985   1.439  -3.344
  287    HB3  CYS  40           HB3      CYS  40  -7.393   2.129  -3.047
  Start of MODEL    6
    1    H1   ALA   1           H        ALA   1   1.192   5.605   2.551
    2    HA   ALA   1           HA       ALA   1   0.087   3.359   4.110
    3    HB1  ALA   1           HB1      ALA   1  -1.163   6.083   3.817
    4    HB2  ALA   1           HB2      ALA   1  -1.654   4.781   4.902
    5    HB3  ALA   1           HB3      ALA   1  -0.125   5.619   5.166
    6    H    ALA   2           H        ALA   2   0.322   2.483   1.758
    7    HA   ALA   2           HA       ALA   2  -1.672   3.331  -0.122
    8    HB1  ALA   2           HB1      ALA   2  -0.383   0.661  -0.344
    9    HB2  ALA   2           HB2      ALA   2  -0.721   1.863  -1.590
   10    HB3  ALA   2           HB3      ALA   2   0.633   2.097  -0.484
   11    H    CYS   3           H        CYS   3  -3.149   1.561  -1.082
   12    HA   CYS   3           HA       CYS   3  -4.576   0.296   1.159
   13    HB2  CYS   3           HB2      CYS   3  -5.963   1.923   0.083
   14    HB3  CYS   3           HB3      CYS   3  -5.550   1.309  -1.514
   15    H    SER   4           H        SER   4  -4.573  -1.843   1.278
   16    HA   SER   4           HA       SER   4  -4.938  -3.586  -0.891
   17    HB2  SER   4           HB2      SER   4  -2.121  -2.943  -0.178
   18    HB3  SER   4           HB3      SER   4  -2.504  -4.634  -0.501
   19    HG   SER   4           HG       SER   4  -2.079  -3.878  -2.472
   20    H    ASP   5           H        ASP   5  -3.979  -5.920  -0.134
   21    HA   ASP   5           HA       ASP   5  -5.207  -6.329   2.479
   22    HB2  ASP   5           HB2      ASP   5  -4.190  -8.489   0.640
   23    HB3  ASP   5           HB3      ASP   5  -5.428  -8.609   1.887
   24    H    ARG   6           H        ARG   6  -4.124  -6.859   4.277
   25    HA   ARG   6           HA       ARG   6  -1.243  -7.425   4.022
   26    HB2  ARG   6           HB2      ARG   6  -1.333  -6.475   6.502
   27    HB3  ARG   6           HB3      ARG   6  -1.158  -5.416   5.109
   28    HG2  ARG   6           HG2      ARG   6  -3.887  -6.061   6.120
   29    HG3  ARG   6           HG3      ARG   6  -2.895  -4.875   6.973
   30    HD2  ARG   6           HD2      ARG   6  -3.094  -4.616   4.027
   31    HD3  ARG   6           HD3      ARG   6  -4.531  -4.220   4.969
   32    HE   ARG   6           HE       ARG   6  -3.368  -2.435   5.955
   33   HH11  ARG   6          HH11      ARG   6  -1.421  -4.180   3.657
   34   HH12  ARG   6          HH12      ARG   6  -0.232  -2.928   3.517
   35   HH21  ARG   6          HH21      ARG   6  -1.809  -0.780   5.780
   36   HH22  ARG   6          HH22      ARG   6  -0.452  -0.995   4.726
   37    H    ALA   7           H        ALA   7  -4.274  -8.362   5.386
   38    HA   ALA   7           HA       ALA   7  -3.522  -9.964   7.516
   39    HB1  ALA   7           HB1      ALA   7  -5.873  -9.369   6.428
   40    HB2  ALA   7           HB2      ALA   7  -5.671 -10.984   5.748
   41    HB3  ALA   7           HB3      ALA   7  -5.652 -10.755   7.497
   42    H    HIS   8           H        HIS   8  -3.870 -12.475   7.418
   43    HA   HIS   8           HA       HIS   8  -1.655 -13.598   6.170
   44    HB2  HIS   8           HB2      HIS   8  -4.086 -14.670   7.505
   45    HB3  HIS   8           HB3      HIS   8  -3.154 -15.790   6.515
   46    HD1  HIS   8           HD1      HIS   8  -1.247 -13.170   8.308
   47    HD2  HIS   8           HD2      HIS   8  -2.390 -17.119   8.911
   48    HE1  HIS   8           HE1      HIS   8   0.165 -13.995  10.219
   49    H    GLY   9           H        GLY   9  -4.815 -12.956   4.928
   50    HA2  GLY   9           HA2      GLY   9  -4.926 -12.822   2.467
   51    HA3  GLY   9           HA3      GLY   9  -4.073 -14.358   2.434
   52    H    HIS  10           H        HIS  10  -5.300 -16.058   3.925
   53    HA   HIS  10           HA       HIS  10  -7.818 -16.477   2.635
   54    HB2  HIS  10           HB2      HIS  10  -6.034 -18.208   3.496
   55    HB3  HIS  10           HB3      HIS  10  -6.939 -18.088   5.001
   56    HD1  HIS  10           HD1      HIS  10  -7.244 -19.288   1.464
   57    HD2  HIS  10           HD2      HIS  10  -9.441 -19.313   4.990
   58    HE1  HIS  10           HE1      HIS  10  -9.140 -20.891   1.063
   59    H    ILE  11           H        ILE  11  -6.936 -14.654   5.272
   60    HA   ILE  11           HA       ILE  11  -9.223 -15.153   6.941
   61    HB   ILE  11           HB       ILE  11  -7.225 -12.889   6.986
   62   HG12  ILE  11          HG12      ILE  11  -6.795 -15.521   7.588
   63   HG13  ILE  11          HG13      ILE  11  -5.896 -14.176   8.282
   64   HG21  ILE  11          HG21      ILE  11  -9.215 -12.117   8.036
   65   HG22  ILE  11          HG22      ILE  11  -9.422 -13.638   8.902
   66   HG23  ILE  11          HG23      ILE  11  -8.090 -12.561   9.320
   67   HD11  ILE  11          HD11      ILE  11  -7.206 -14.204  10.250
   68   HD12  ILE  11          HD12      ILE  11  -8.378 -15.311   9.533
   69   HD13  ILE  11          HD13      ILE  11  -6.750 -15.873   9.912
   70    H    CYS  12           H        CYS  12  -8.270 -12.700   4.581
   71    HA   CYS  12           HA       CYS  12 -10.462 -10.972   4.964
   72    HB2  CYS  12           HB2      CYS  12  -8.979 -11.377   2.366
   73    HB3  CYS  12           HB3      CYS  12  -9.807  -9.924   2.917
   74    H    GLU  13           H        GLU  13  -9.946 -13.670   2.722
   75    HA   GLU  13           HA       GLU  13 -12.487 -13.390   1.450
   76    HB2  GLU  13           HB2      GLU  13 -10.251 -15.345   1.372
   77    HB3  GLU  13           HB3      GLU  13 -11.829 -15.914   0.845
   78    HG2  GLU  13           HG2      GLU  13 -11.482 -13.447  -0.407
   79    HG3  GLU  13           HG3      GLU  13  -9.924 -14.261  -0.530
   80    H    SER  14           H        SER  14 -11.205 -15.464   4.013
   81    HA   SER  14           HA       SER  14 -13.382 -17.164   4.338
   82    HB2  SER  14           HB2      SER  14 -11.239 -16.178   6.193
   83    HB3  SER  14           HB3      SER  14 -12.550 -17.177   6.820
   84    HG   SER  14           HG       SER  14 -11.956 -18.647   5.016
   85    H    PHE  15           H        PHE  15 -12.900 -13.873   5.406
   86    HA   PHE  15           HA       PHE  15 -15.676 -13.836   6.366
   87    HB2  PHE  15           HB2      PHE  15 -13.333 -12.504   7.740
   88    HB3  PHE  15           HB3      PHE  15 -15.021 -12.346   8.214
   89    HD1  PHE  15           HD2      PHE  15 -16.258 -14.455   8.921
   90    HD2  PHE  15           HD1      PHE  15 -12.022 -14.238   8.565
   91    HE1  PHE  15           HE2      PHE  15 -16.039 -16.438  10.361
   92    HE2  PHE  15           HE1      PHE  15 -11.796 -16.221  10.004
   93    HZ   PHE  15           HZ       PHE  15 -13.806 -17.323  10.905
   94    H    LYS  16           H        LYS  16 -14.890 -13.086   3.823
   95    HA   LYS  16           HA       LYS  16 -14.347 -10.301   3.615
   96    HB2  LYS  16           HB2      LYS  16 -15.063 -10.623   1.225
   97    HB3  LYS  16           HB3      LYS  16 -13.772 -11.690   1.761
   98    HG2  LYS  16           HG2      LYS  16 -14.963 -13.489   1.264
   99    HG3  LYS  16           HG3      LYS  16 -16.338 -12.910   2.208
  100    HD2  LYS  16           HD2      LYS  16 -15.872 -11.609  -0.411
  101    HD3  LYS  16           HD3      LYS  16 -16.438 -13.281  -0.443
  102    HE2  LYS  16           HE2      LYS  16 -18.241 -12.531   1.189
  103    HE3  LYS  16           HE3      LYS  16 -17.766 -10.881   0.790
  104    HZ1  LYS  16           HZ1      LYS  16 -19.665 -12.042  -0.517
  105    HZ2  LYS  16           HZ2      LYS  16 -18.400 -12.760  -1.379
  106    HZ3  LYS  16           HZ3      LYS  16 -18.548 -11.075  -1.342
  107    H    SER  17           H        SER  17 -17.267 -12.226   3.793
  108    HA   SER  17           HA       SER  17 -19.038 -10.107   3.043
  109    HB2  SER  17           HB2      SER  17 -19.459 -12.659   2.942
  110    HB3  SER  17           HB3      SER  17 -19.856 -12.516   4.654
  111    HG   SER  17           HG       SER  17 -21.722 -11.771   4.078
  112    H    PHE  18           H        PHE  18 -17.252 -10.722   5.806
  113    HA   PHE  18           HA       PHE  18 -19.165  -9.412   7.594
  114    HB2  PHE  18           HB2      PHE  18 -16.496 -10.700   8.209
  115    HB3  PHE  18           HB3      PHE  18 -17.622 -10.054   9.398
  116    HD1  PHE  18           HD1      PHE  18 -17.225 -12.651   6.791
  117    HD2  PHE  18           HD2      PHE  18 -19.378 -11.359  10.228
  118    HE1  PHE  18           HE1      PHE  18 -18.349 -14.837   6.904
  119    HE2  PHE  18           HE2      PHE  18 -20.504 -13.543  10.347
  120    HZ   PHE  18           HZ       PHE  18 -19.990 -15.285   8.685
  121    H    CYS  19           H        CYS  19 -17.218  -8.299   5.389
  122    HA   CYS  19           HA       CYS  19 -15.412  -6.575   6.695
  123    HB2  CYS  19           HB2      CYS  19 -16.570  -6.778   3.962
  124    HB3  CYS  19           HB3      CYS  19 -15.834  -5.244   4.414
  125    H    LYS  20           H        LYS  20 -18.818  -6.382   6.106
  126    HA   LYS  20           HA       LYS  20 -18.860  -3.573   6.970
  127    HB2  LYS  20           HB2      LYS  20 -21.243  -3.630   6.186
  128    HB3  LYS  20           HB3      LYS  20 -20.049  -3.883   4.919
  129    HG2  LYS  20           HG2      LYS  20 -21.028  -5.781   4.357
  130    HG3  LYS  20           HG3      LYS  20 -20.762  -6.418   5.981
  131    HD2  LYS  20           HD2      LYS  20 -22.987  -4.509   5.730
  132    HD3  LYS  20           HD3      LYS  20 -23.204  -6.034   4.869
  133    HE2  LYS  20           HE2      LYS  20 -22.237  -6.890   7.266
  134    HE3  LYS  20           HE3      LYS  20 -23.168  -5.473   7.750
  135    HZ1  LYS  20           HZ1      LYS  20 -24.635  -7.014   5.888
  136    HZ2  LYS  20           HZ2      LYS  20 -25.038  -6.601   7.477
  137    HZ3  LYS  20           HZ3      LYS  20 -24.136  -7.998   7.170
  138    H    ASP  21           H        ASP  21 -18.578  -6.138   8.605
  139    HA   ASP  21           HA       ASP  21 -20.983  -6.275  10.169
  140    HB2  ASP  21           HB2      ASP  21 -19.723  -8.285  10.037
  141    HB3  ASP  21           HB3      ASP  21 -18.231  -7.465  10.492
  142    H    SER  22           H        SER  22 -21.497  -5.182  11.965
  143    HA   SER  22           HA       SER  22 -19.813  -2.986  12.773
  144    HB2  SER  22           HB2      SER  22 -22.365  -2.936  12.596
  145    HB3  SER  22           HB3      SER  22 -22.380  -3.843  14.108
  146    HG   SER  22           HG       SER  22 -22.518  -1.598  14.480
  147    H    GLY  23           H        GLY  23 -18.266  -5.014  13.318
  148    HA2  GLY  23           HA2      GLY  23 -18.200  -5.058  16.230
  149    HA3  GLY  23           HA3      GLY  23 -18.326  -6.622  15.437
  150    H    ARG  24           H        ARG  24 -16.216  -6.453  16.944
  151    HA   ARG  24           HA       ARG  24 -13.914  -5.198  16.066
  152    HB2  ARG  24           HB2      ARG  24 -12.683  -6.788  17.355
  153    HB3  ARG  24           HB3      ARG  24 -14.200  -6.498  18.197
  154    HG2  ARG  24           HG2      ARG  24 -14.951  -8.609  16.777
  155    HG3  ARG  24           HG3      ARG  24 -13.218  -8.936  16.835
  156    HD2  ARG  24           HD2      ARG  24 -13.592  -8.348  19.400
  157    HD3  ARG  24           HD3      ARG  24 -15.226  -8.893  19.020
  158    HE   ARG  24           HE       ARG  24 -13.268 -10.732  18.085
  159   HH11  ARG  24          HH11      ARG  24 -14.940  -9.661  20.944
  160   HH12  ARG  24          HH12      ARG  24 -14.779 -11.178  21.765
  161   HH21  ARG  24          HH21      ARG  24 -13.049 -12.735  19.155
  162   HH22  ARG  24          HH22      ARG  24 -13.703 -12.925  20.747
  163    H    ASN  25           H        ASN  25 -15.456  -8.109  14.872
  164    HA   ASN  25           HA       ASN  25 -13.315  -9.055  13.291
  165    HB2  ASN  25           HB2      ASN  25 -16.243  -9.561  13.446
  166    HB3  ASN  25           HB3      ASN  25 -15.421 -10.042  11.965
  167   HD21  ASN  25          HD21      ASN  25 -16.376 -11.079  14.912
  168   HD22  ASN  25          HD22      ASN  25 -15.261 -12.379  15.145
  169    H    GLY  26           H        GLY  26 -15.978  -6.827  12.635
  170    HA2  GLY  26           HA2      GLY  26 -15.480  -6.567   9.851
  171    HA3  GLY  26           HA3      GLY  26 -16.414  -5.456  10.841
  172    H    VAL  27           H        VAL  27 -14.574  -4.526  12.622
  173    HA   VAL  27           HA       VAL  27 -13.257  -2.528  11.185
  174    HB   VAL  27           HB       VAL  27 -12.583  -3.512  13.961
  175   HG11  VAL  27          HG11      VAL  27 -11.796  -1.169  14.278
  176   HG12  VAL  27          HG12      VAL  27 -10.835  -2.099  13.127
  177   HG13  VAL  27          HG13      VAL  27 -12.005  -0.914  12.545
  178   HG21  VAL  27          HG21      VAL  27 -14.915  -2.189  12.927
  179   HG22  VAL  27          HG22      VAL  27 -14.589  -2.765  14.562
  180   HG23  VAL  27          HG23      VAL  27 -14.080  -1.147  14.079
  181    H    LYS  28           H        LYS  28 -11.968  -5.500  12.646
  182    HA   LYS  28           HA       LYS  28  -9.283  -5.075  11.901
  183    HB2  LYS  28           HB2      LYS  28 -10.796  -7.622  12.495
  184    HB3  LYS  28           HB3      LYS  28  -9.054  -7.550  12.264
  185    HG2  LYS  28           HG2      LYS  28 -10.553  -6.029  14.386
  186    HG3  LYS  28           HG3      LYS  28  -9.752  -7.581  14.638
  187    HD2  LYS  28           HD2      LYS  28  -7.621  -6.519  13.885
  188    HD3  LYS  28           HD3      LYS  28  -8.465  -4.969  13.851
  189    HE2  LYS  28           HE2      LYS  28  -9.100  -5.827  16.334
  190    HE3  LYS  28           HE3      LYS  28  -7.511  -6.565  16.137
  191    HZ1  LYS  28           HZ1      LYS  28  -7.948  -3.710  15.528
  192    HZ2  LYS  28           HZ2      LYS  28  -6.500  -4.506  15.889
  193    HZ3  LYS  28           HZ3      LYS  28  -7.637  -4.224  17.110
  194    H    LEU  29           H        LEU  29 -12.034  -6.314  10.176
  195    HA   LEU  29           HA       LEU  29 -10.595  -7.608   8.090
  196    HB2  LEU  29           HB2      LEU  29 -13.411  -6.718   8.499
  197    HB3  LEU  29           HB3      LEU  29 -12.883  -7.170   6.880
  198    HG   LEU  29           HG       LEU  29 -12.615  -9.003   9.253
  199   HD11  LEU  29          HD11      LEU  29 -14.984  -8.364   8.884
  200   HD12  LEU  29          HD12      LEU  29 -14.658 -10.072   8.592
  201   HD13  LEU  29          HD13      LEU  29 -14.849  -8.966   7.232
  202   HD21  LEU  29          HD21      LEU  29 -12.786  -9.702   6.337
  203   HD22  LEU  29          HD22      LEU  29 -12.210 -10.694   7.678
  204   HD23  LEU  29          HD23      LEU  29 -11.252  -9.320   7.121
  205    H    ARG  30           H        ARG  30 -12.148  -4.423   8.366
  206    HA   ARG  30           HA       ARG  30 -11.412  -3.558   5.765
  207    HB2  ARG  30           HB2      ARG  30 -12.191  -1.978   8.222
  208    HB3  ARG  30           HB3      ARG  30 -12.015  -1.295   6.612
  209    HG2  ARG  30           HG2      ARG  30 -13.735  -3.335   6.128
  210    HG3  ARG  30           HG3      ARG  30 -14.198  -2.870   7.766
  211    HD2  ARG  30           HD2      ARG  30 -13.774  -0.548   6.105
  212    HD3  ARG  30           HD3      ARG  30 -14.954  -1.638   5.378
  213    HE   ARG  30           HE       ARG  30 -15.408  -1.120   8.172
  214   HH11  ARG  30          HH11      ARG  30 -15.995  -0.033   4.917
  215   HH12  ARG  30          HH12      ARG  30 -17.433   0.841   5.329
  216   HH21  ARG  30          HH21      ARG  30 -17.299   0.027   8.727
  217   HH22  ARG  30          HH22      ARG  30 -18.173   0.876   7.497
  218    H    ALA  31           H        ALA  31  -9.655  -3.924   8.642
  219    HA   ALA  31           HA       ALA  31  -7.663  -1.911   7.932
  220    HB1  ALA  31           HB1      ALA  31  -6.641  -2.408  10.070
  221    HB2  ALA  31           HB2      ALA  31  -8.369  -2.119  10.281
  222    HB3  ALA  31           HB3      ALA  31  -7.741  -3.767  10.308
  223    H    ASN  32           H        ASN  32  -7.751  -5.405   8.651
  224    HA   ASN  32           HA       ASN  32  -5.109  -5.812   7.596
  225    HB2  ASN  32           HB2      ASN  32  -7.233  -7.813   8.400
  226    HB3  ASN  32           HB3      ASN  32  -5.557  -8.203   8.025
  227   HD21  ASN  32          HD21      ASN  32  -7.592  -7.879  10.483
  228   HD22  ASN  32          HD22      ASN  32  -6.519  -7.339  11.725
  229    H    CYS  33           H        CYS  33  -8.156  -5.480   6.225
  230    HA   CYS  33           HA       CYS  33  -7.166  -6.525   3.680
  231    HB2  CYS  33           HB2      CYS  33  -9.988  -7.121   4.542
  232    HB3  CYS  33           HB3      CYS  33  -9.069  -7.838   3.222
  233    H    LYS  34           H        LYS  34  -7.011  -3.997   3.896
  234    HA   LYS  34           HA       LYS  34  -9.297  -2.402   3.635
  235    HB2  LYS  34           HB2      LYS  34  -6.622  -1.831   2.359
  236    HB3  LYS  34           HB3      LYS  34  -7.833  -0.665   2.877
  237    HG2  LYS  34           HG2      LYS  34  -7.297  -2.035   5.190
  238    HG3  LYS  34           HG3      LYS  34  -5.721  -1.972   4.396
  239    HD2  LYS  34           HD2      LYS  34  -5.535   0.259   4.667
  240    HD3  LYS  34           HD3      LYS  34  -7.247   0.543   4.347
  241    HE2  LYS  34           HE2      LYS  34  -6.865   1.151   6.607
  242    HE3  LYS  34           HE3      LYS  34  -7.718  -0.391   6.635
  243    HZ1  LYS  34           HZ1      LYS  34  -4.887   0.164   7.243
  244    HZ2  LYS  34           HZ2      LYS  34  -5.371  -1.386   6.770
  245    HZ3  LYS  34           HZ3      LYS  34  -6.026  -0.684   8.162
  246    H    LYS  35           H        LYS  35  -7.821  -4.561   1.431
  247    HA   LYS  35           HA       LYS  35  -9.010  -3.319  -0.916
  248    HB2  LYS  35           HB2      LYS  35  -6.716  -4.465  -0.856
  249    HB3  LYS  35           HB3      LYS  35  -7.606  -5.982  -0.826
  250    HG2  LYS  35           HG2      LYS  35  -7.013  -5.574  -3.077
  251    HG3  LYS  35           HG3      LYS  35  -8.741  -5.246  -2.939
  252    HD2  LYS  35           HD2      LYS  35  -7.420  -2.827  -2.368
  253    HD3  LYS  35           HD3      LYS  35  -6.627  -3.506  -3.792
  254    HE2  LYS  35           HE2      LYS  35  -9.238  -3.924  -4.397
  255    HE3  LYS  35           HE3      LYS  35  -9.345  -2.432  -3.464
  256    HZ1  LYS  35           HZ1      LYS  35  -7.997  -1.308  -4.967
  257    HZ2  LYS  35           HZ2      LYS  35  -8.988  -2.248  -5.964
  258    HZ3  LYS  35           HZ3      LYS  35  -7.394  -2.728  -5.662
  259    H    THR  36           H        THR  36  -9.160  -6.516   0.661
  260    HA   THR  36           HA       THR  36 -11.227  -7.616  -0.791
  261    HB   THR  36           HB       THR  36 -10.736  -7.991   2.170
  262    HG1  THR  36           HG1      THR  36  -8.880  -8.535   1.066
  263   HG21  THR  36          HG21      THR  36 -12.927  -8.837   1.356
  264   HG22  THR  36          HG22      THR  36 -11.852 -10.118   1.918
  265   HG23  THR  36          HG23      THR  36 -12.067  -9.841   0.190
  266    H    CYS  37           H        CYS  37 -11.357  -5.174   1.685
  267    HA   CYS  37           HA       CYS  37 -14.263  -5.348   1.877
  268    HB2  CYS  37           HB2      CYS  37 -12.266  -3.575   3.298
  269    HB3  CYS  37           HB3      CYS  37 -14.003  -3.555   3.587
  270    H    GLY  38           H        GLY  38 -11.773  -3.425   0.398
  271    HA2  GLY  38           HA2      GLY  38 -12.033  -1.949  -1.386
  272    HA3  GLY  38           HA3      GLY  38 -13.774  -2.017  -1.155
  273    H    LEU  39           H        LEU  39 -10.787  -0.560  -0.006
  274    HA   LEU  39           HA       LEU  39 -12.379   1.691   1.021
  275    HB2  LEU  39           HB2      LEU  39  -9.953   0.426   2.280
  276    HB3  LEU  39           HB3      LEU  39 -10.615   1.985   2.770
  277    HG   LEU  39           HG       LEU  39 -12.451  -0.346   2.804
  278   HD11  LEU  39          HD11      LEU  39  -9.947  -0.562   4.015
  279   HD12  LEU  39          HD12      LEU  39 -11.371  -1.556   4.317
  280   HD13  LEU  39          HD13      LEU  39 -11.061  -0.135   5.314
  281   HD21  LEU  39          HD21      LEU  39 -12.070   2.237   4.227
  282   HD22  LEU  39          HD22      LEU  39 -12.885   0.924   5.078
  283   HD23  LEU  39          HD23      LEU  39 -13.533   1.522   3.550
  284    H    CYS  40           H        CYS  40 -10.264   0.728  -1.253
  285    HA   CYS  40           HA       CYS  40  -8.313   2.794  -1.216
  286    HB2  CYS  40           HB2      CYS  40  -9.250   1.275  -3.651
  287    HB3  CYS  40           HB3      CYS  40  -7.677   2.019  -3.384
  Start of MODEL    7
    1    H1   ALA   1           H        ALA   1  -2.376   7.037   3.175
    2    HA   ALA   1           HA       ALA   1  -0.382   5.076   3.378
    3    HB1  ALA   1           HB1      ALA   1  -2.123   5.724   5.107
    4    HB2  ALA   1           HB2      ALA   1  -3.235   4.670   4.232
    5    HB3  ALA   1           HB3      ALA   1  -1.768   4.003   4.950
    6    H    ALA   2           H        ALA   2  -0.005   3.234   2.314
    7    HA   ALA   2           HA       ALA   2  -1.274   2.619  -0.102
    8    HB1  ALA   2           HB1      ALA   2   1.038   1.864   1.016
    9    HB2  ALA   2           HB2      ALA   2   0.085   0.411   1.317
   10    HB3  ALA   2           HB3      ALA   2   0.293   1.002  -0.331
   11    H    CYS   3           H        CYS   3  -3.093   1.574  -0.573
   12    HA   CYS   3           HA       CYS   3  -4.490   0.165   1.591
   13    HB2  CYS   3           HB2      CYS   3  -5.837   1.902   0.665
   14    HB3  CYS   3           HB3      CYS   3  -5.460   1.408  -0.982
   15    H    SER   4           H        SER   4  -4.569  -1.975   1.579
   16    HA   SER   4           HA       SER   4  -5.067  -3.565  -0.678
   17    HB2  SER   4           HB2      SER   4  -2.206  -3.076  -0.022
   18    HB3  SER   4           HB3      SER   4  -2.667  -4.728  -0.432
   19    HG   SER   4           HG       SER   4  -2.287  -3.885  -2.371
   20    H    ASP   5           H        ASP   5  -4.181  -5.977  -0.096
   21    HA   ASP   5           HA       ASP   5  -5.342  -6.498   2.527
   22    HB2  ASP   5           HB2      ASP   5  -4.475  -8.587   0.539
   23    HB3  ASP   5           HB3      ASP   5  -5.693  -8.718   1.805
   24    H    ARG   6           H        ARG   6  -4.204  -7.100   4.257
   25    HA   ARG   6           HA       ARG   6  -1.370  -7.807   3.865
   26    HB2  ARG   6           HB2      ARG   6  -1.285  -6.967   6.366
   27    HB3  ARG   6           HB3      ARG   6  -1.188  -5.834   5.024
   28    HG2  ARG   6           HG2      ARG   6  -3.868  -6.476   6.133
   29    HG3  ARG   6           HG3      ARG   6  -2.797  -5.425   7.063
   30    HD2  ARG   6           HD2      ARG   6  -3.369  -4.946   4.153
   31    HD3  ARG   6           HD3      ARG   6  -4.417  -4.317   5.424
   32    HE   ARG   6           HE       ARG   6  -1.908  -3.266   4.622
   33   HH11  ARG   6          HH11      ARG   6  -3.915  -3.790   7.418
   34   HH12  ARG   6          HH12      ARG   6  -3.246  -2.464   8.309
   35   HH21  ARG   6          HH21      ARG   6  -1.018  -1.517   5.786
   36   HH22  ARG   6          HH22      ARG   6  -1.598  -1.171   7.380
   37    H    ALA   7           H        ALA   7  -4.391  -8.668   5.300
   38    HA   ALA   7           HA       ALA   7  -3.675 -10.385   7.335
   39    HB1  ALA   7           HB1      ALA   7  -5.826 -11.104   7.305
   40    HB2  ALA   7           HB2      ALA   7  -6.015  -9.691   6.266
   41    HB3  ALA   7           HB3      ALA   7  -5.856 -11.295   5.551
   42    H    HIS   8           H        HIS   8  -4.008 -12.864   7.196
   43    HA   HIS   8           HA       HIS   8  -1.857 -14.007   5.902
   44    HB2  HIS   8           HB2      HIS   8  -4.341 -15.063   7.147
   45    HB3  HIS   8           HB3      HIS   8  -3.427 -16.166   6.123
   46    HD1  HIS   8           HD1      HIS   8  -3.005 -14.053   9.232
   47    HD2  HIS   8           HD2      HIS   8  -1.207 -17.258   7.293
   48    HE1  HIS   8           HE1      HIS   8  -1.263 -14.913  10.829
   49    H    GLY   9           H        GLY   9  -5.021 -13.292   4.666
   50    HA2  GLY   9           HA2      GLY   9  -4.979 -13.030   2.168
   51    HA3  GLY   9           HA3      GLY   9  -4.312 -14.656   2.142
   52    H    HIS  10           H        HIS  10  -5.724 -16.312   3.335
   53    HA   HIS  10           HA       HIS  10  -8.266 -16.338   2.065
   54    HB2  HIS  10           HB2      HIS  10  -8.606 -18.440   3.423
   55    HB3  HIS  10           HB3      HIS  10  -7.172 -18.433   2.402
   56    HD1  HIS  10           HD1      HIS  10  -8.197 -18.125   6.017
   57    HD2  HIS  10           HD2      HIS  10  -4.779 -18.727   3.734
   58    HE1  HIS  10           HE1      HIS  10  -6.389 -18.724   7.659
   59    H    ILE  11           H        ILE  11  -7.173 -14.977   4.962
   60    HA   ILE  11           HA       ILE  11  -9.456 -15.276   6.597
   61    HB   ILE  11           HB       ILE  11  -7.352 -13.111   6.580
   62   HG12  ILE  11          HG12      ILE  11  -6.907 -15.673   7.121
   63   HG13  ILE  11          HG13      ILE  11  -6.140 -14.392   8.052
   64   HG21  ILE  11          HG21      ILE  11  -9.595 -13.675   8.498
   65   HG22  ILE  11          HG22      ILE  11  -8.160 -12.763   8.961
   66   HG23  ILE  11          HG23      ILE  11  -9.209 -12.164   7.676
   67   HD11  ILE  11          HD11      ILE  11  -8.753 -15.516   8.946
   68   HD12  ILE  11          HD12      ILE  11  -7.252 -16.386   9.269
   69   HD13  ILE  11          HD13      ILE  11  -7.475 -14.751   9.891
   70    H    CYS  12           H        CYS  12  -8.506 -12.805   4.250
   71    HA   CYS  12           HA       CYS  12 -10.706 -11.080   4.742
   72    HB2  CYS  12           HB2      CYS  12  -9.192 -11.268   2.141
   73    HB3  CYS  12           HB3      CYS  12  -9.986  -9.859   2.838
   74    H    GLU  13           H        GLU  13 -10.080 -13.535   2.249
   75    HA   GLU  13           HA       GLU  13 -12.548 -13.210   0.908
   76    HB2  GLU  13           HB2      GLU  13 -10.304 -14.480   0.258
   77    HB3  GLU  13           HB3      GLU  13 -11.181 -15.858   0.907
   78    HG2  GLU  13           HG2      GLU  13 -12.910 -14.420  -0.835
   79    HG3  GLU  13           HG3      GLU  13 -11.376 -14.700  -1.657
   80    H    SER  14           H        SER  14 -11.467 -15.517   3.381
   81    HA   SER  14           HA       SER  14 -13.697 -17.129   3.543
   82    HB2  SER  14           HB2      SER  14 -11.598 -17.516   4.799
   83    HB3  SER  14           HB3      SER  14 -12.007 -16.175   5.869
   84    HG   SER  14           HG       SER  14 -12.601 -18.275   6.684
   85    H    PHE  15           H        PHE  15 -13.114 -14.039   5.188
   86    HA   PHE  15           HA       PHE  15 -15.999 -13.909   5.770
   87    HB2  PHE  15           HB2      PHE  15 -13.840 -12.610   7.434
   88    HB3  PHE  15           HB3      PHE  15 -15.549 -12.768   7.825
   89    HD1  PHE  15           HD1      PHE  15 -12.341 -14.524   7.594
   90    HD2  PHE  15           HD2      PHE  15 -16.439 -14.812   8.708
   91    HE1  PHE  15           HE1      PHE  15 -11.867 -16.625   8.785
   92    HE2  PHE  15           HE2      PHE  15 -15.971 -16.912   9.901
   93    HZ   PHE  15           HZ       PHE  15 -13.683 -17.821   9.941
   94    H    LYS  16           H        LYS  16 -15.180 -12.998   3.373
   95    HA   LYS  16           HA       LYS  16 -14.413 -10.251   3.385
   96    HB2  LYS  16           HB2      LYS  16 -15.040 -10.325   0.975
   97    HB3  LYS  16           HB3      LYS  16 -13.920 -11.595   1.449
   98    HG2  LYS  16           HG2      LYS  16 -15.328 -13.194   0.825
   99    HG3  LYS  16           HG3      LYS  16 -16.675 -12.450   1.691
  100    HD2  LYS  16           HD2      LYS  16 -17.423 -12.322  -0.481
  101    HD3  LYS  16           HD3      LYS  16 -16.625 -10.757  -0.309
  102    HE2  LYS  16           HE2      LYS  16 -15.664 -11.400  -2.260
  103    HE3  LYS  16           HE3      LYS  16 -14.542 -12.192  -1.155
  104    HZ1  LYS  16           HZ1      LYS  16 -15.151 -14.175  -1.903
  105    HZ2  LYS  16           HZ2      LYS  16 -15.998 -13.393  -3.141
  106    HZ3  LYS  16           HZ3      LYS  16 -16.798 -13.838  -1.718
  107    H    SER  17           H        SER  17 -17.462 -11.967   3.399
  108    HA   SER  17           HA       SER  17 -19.057  -9.660   2.794
  109    HB2  SER  17           HB2      SER  17 -20.218 -12.033   4.187
  110    HB3  SER  17           HB3      SER  17 -20.875 -11.079   2.858
  111    HG   SER  17           HG       SER  17 -20.010 -12.437   1.521
  112    H    PHE  18           H        PHE  18 -17.398 -10.673   5.521
  113    HA   PHE  18           HA       PHE  18 -19.268  -9.499   7.424
  114    HB2  PHE  18           HB2      PHE  18 -16.582 -10.825   7.844
  115    HB3  PHE  18           HB3      PHE  18 -17.635 -10.249   9.132
  116    HD1  PHE  18           HD2      PHE  18 -17.466 -12.632   6.297
  117    HD2  PHE  18           HD1      PHE  18 -19.320 -11.610   9.989
  118    HE1  PHE  18           HE2      PHE  18 -18.623 -14.803   6.312
  119    HE2  PHE  18           HE1      PHE  18 -20.479 -13.780  10.011
  120    HZ   PHE  18           HZ       PHE  18 -20.133 -15.380   8.171
  121    H    CYS  19           H        CYS  19 -17.200  -8.243   5.319
  122    HA   CYS  19           HA       CYS  19 -15.483  -6.579   6.774
  123    HB2  CYS  19           HB2      CYS  19 -16.651  -6.505   4.023
  124    HB3  CYS  19           HB3      CYS  19 -15.815  -5.077   4.625
  125    H    LYS  20           H        LYS  20 -18.883  -6.356   6.121
  126    HA   LYS  20           HA       LYS  20 -18.981  -3.614   7.153
  127    HB2  LYS  20           HB2      LYS  20 -21.387  -3.721   6.446
  128    HB3  LYS  20           HB3      LYS  20 -20.230  -3.892   5.133
  129    HG2  LYS  20           HG2      LYS  20 -21.170  -5.800   4.537
  130    HG3  LYS  20           HG3      LYS  20 -20.828  -6.483   6.128
  131    HD2  LYS  20           HD2      LYS  20 -23.147  -4.644   5.883
  132    HD3  LYS  20           HD3      LYS  20 -23.303  -6.257   5.184
  133    HE2  LYS  20           HE2      LYS  20 -22.215  -6.833   7.604
  134    HE3  LYS  20           HE3      LYS  20 -23.180  -5.411   7.997
  135    HZ1  LYS  20           HZ1      LYS  20 -24.598  -7.225   8.303
  136    HZ2  LYS  20           HZ2      LYS  20 -24.096  -7.993   6.882
  137    HZ3  LYS  20           HZ3      LYS  20 -25.051  -6.599   6.798
  138    H    ASP  21           H        ASP  21 -18.563  -6.221   8.688
  139    HA   ASP  21           HA       ASP  21 -20.907  -6.501  10.321
  140    HB2  ASP  21           HB2      ASP  21 -19.116  -8.284   9.830
  141    HB3  ASP  21           HB3      ASP  21 -18.153  -7.469  11.059
  142    H    SER  22           H        SER  22 -21.435  -5.422  12.112
  143    HA   SER  22           HA       SER  22 -19.781  -3.221  12.966
  144    HB2  SER  22           HB2      SER  22 -22.278  -3.079  12.800
  145    HB3  SER  22           HB3      SER  22 -22.385  -4.188  14.167
  146    HG   SER  22           HG       SER  22 -21.752  -2.645  15.491
  147    H    GLY  23           H        GLY  23 -18.205  -5.240  13.464
  148    HA2  GLY  23           HA2      GLY  23 -18.066  -5.297  16.360
  149    HA3  GLY  23           HA3      GLY  23 -18.298  -6.866  15.602
  150    H    ARG  24           H        ARG  24 -16.149  -6.922  16.958
  151    HA   ARG  24           HA       ARG  24 -13.801  -5.756  16.092
  152    HB2  ARG  24           HB2      ARG  24 -14.126  -8.581  17.120
  153    HB3  ARG  24           HB3      ARG  24 -12.637  -7.645  17.116
  154    HG2  ARG  24           HG2      ARG  24 -14.952  -6.436  18.494
  155    HG3  ARG  24           HG3      ARG  24 -14.228  -7.858  19.247
  156    HD2  ARG  24           HD2      ARG  24 -12.997  -6.159  20.198
  157    HD3  ARG  24           HD3      ARG  24 -11.988  -6.595  18.820
  158    HE   ARG  24           HE       ARG  24 -13.825  -4.528  18.155
  159   HH11  ARG  24          HH11      ARG  24 -10.817  -5.159  19.790
  160   HH12  ARG  24          HH12      ARG  24 -10.201  -3.557  19.553
  161   HH21  ARG  24          HH21      ARG  24 -13.026  -2.415  17.837
  162   HH22  ARG  24          HH22      ARG  24 -11.459  -1.997  18.443
  163    H    ASN  25           H        ASN  25 -15.286  -8.780  14.961
  164    HA   ASN  25           HA       ASN  25 -13.341  -9.601  13.176
  165    HB2  ASN  25           HB2      ASN  25 -16.282  -9.993  13.391
  166    HB3  ASN  25           HB3      ASN  25 -15.524 -10.424  11.861
  167   HD21  ASN  25          HD21      ASN  25 -16.782 -12.090  13.925
  168   HD22  ASN  25          HD22      ASN  25 -15.585 -13.250  14.380
  169    H    GLY  26           H        GLY  26 -15.969  -7.278  12.689
  170    HA2  GLY  26           HA2      GLY  26 -15.488  -6.867   9.921
  171    HA3  GLY  26           HA3      GLY  26 -16.397  -5.799  10.981
  172    H    VAL  27           H        VAL  27 -14.514  -5.015  12.798
  173    HA   VAL  27           HA       VAL  27 -13.185  -2.950  11.470
  174    HB   VAL  27           HB       VAL  27 -12.503  -4.123  14.170
  175   HG11  VAL  27          HG11      VAL  27 -12.078  -1.307  13.959
  176   HG12  VAL  27          HG12      VAL  27 -10.915  -2.580  14.331
  177   HG13  VAL  27          HG13      VAL  27 -11.218  -2.122  12.654
  178   HG21  VAL  27          HG21      VAL  27 -14.730  -2.482  13.219
  179   HG22  VAL  27          HG22      VAL  27 -14.576  -3.443  14.690
  180   HG23  VAL  27          HG23      VAL  27 -13.896  -1.817  14.624
  181    H    LYS  28           H        LYS  28 -11.923  -6.028  12.720
  182    HA   LYS  28           HA       LYS  28  -9.243  -5.598  11.961
  183    HB2  LYS  28           HB2      LYS  28 -10.788  -8.155  12.413
  184    HB3  LYS  28           HB3      LYS  28  -9.049  -8.093  12.162
  185    HG2  LYS  28           HG2      LYS  28 -10.491  -6.685  14.397
  186    HG3  LYS  28           HG3      LYS  28  -9.721  -8.267  14.540
  187    HD2  LYS  28           HD2      LYS  28  -7.706  -6.799  13.464
  188    HD3  LYS  28           HD3      LYS  28  -8.529  -5.579  14.440
  189    HE2  LYS  28           HE2      LYS  28  -8.134  -8.166  15.772
  190    HE3  LYS  28           HE3      LYS  28  -6.647  -7.307  15.373
  191    HZ1  LYS  28           HZ1      LYS  28  -8.713  -6.640  17.299
  192    HZ2  LYS  28           HZ2      LYS  28  -8.092  -5.336  16.419
  193    HZ3  LYS  28           HZ3      LYS  28  -7.054  -6.311  17.332
  194    H    LEU  29           H        LEU  29 -12.040  -6.680  10.203
  195    HA   LEU  29           HA       LEU  29 -10.653  -7.860   8.016
  196    HB2  LEU  29           HB2      LEU  29 -13.447  -6.950   8.523
  197    HB3  LEU  29           HB3      LEU  29 -12.949  -7.312   6.871
  198    HG   LEU  29           HG       LEU  29 -12.706  -9.283   9.136
  199   HD11  LEU  29          HD11      LEU  29 -14.910  -9.148   7.090
  200   HD12  LEU  29          HD12      LEU  29 -15.066  -8.564   8.747
  201   HD13  LEU  29          HD13      LEU  29 -14.758 -10.273   8.440
  202   HD21  LEU  29          HD21      LEU  29 -12.851  -9.813   6.183
  203   HD22  LEU  29          HD22      LEU  29 -12.310 -10.890   7.471
  204   HD23  LEU  29          HD23      LEU  29 -11.323  -9.503   7.008
  205    H    ARG  30           H        ARG  30 -12.133  -4.672   8.531
  206    HA   ARG  30           HA       ARG  30 -11.430  -3.652   5.976
  207    HB2  ARG  30           HB2      ARG  30 -12.137  -2.230   8.549
  208    HB3  ARG  30           HB3      ARG  30 -11.962  -1.435   6.990
  209    HG2  ARG  30           HG2      ARG  30 -13.736  -3.401   6.387
  210    HG3  ARG  30           HG3      ARG  30 -14.170  -3.032   8.057
  211    HD2  ARG  30           HD2      ARG  30 -13.704  -0.618   6.548
  212    HD3  ARG  30           HD3      ARG  30 -14.917  -1.629   5.763
  213    HE   ARG  30           HE       ARG  30 -15.331  -1.281   8.590
  214   HH11  ARG  30          HH11      ARG  30 -15.932   0.013   5.414
  215   HH12  ARG  30          HH12      ARG  30 -17.348   0.889   5.897
  216   HH21  ARG  30          HH21      ARG  30 -17.192  -0.132   9.237
  217   HH22  ARG  30          HH22      ARG  30 -18.063   0.806   8.071
  218    H    ALA  31           H        ALA  31  -9.624  -4.249   8.780
  219    HA   ALA  31           HA       ALA  31  -7.602  -2.233   8.161
  220    HB1  ALA  31           HB1      ALA  31  -7.669  -4.233  10.418
  221    HB2  ALA  31           HB2      ALA  31  -6.558  -2.874  10.246
  222    HB3  ALA  31           HB3      ALA  31  -8.277  -2.580  10.508
  223    H    ASN  32           H        ASN  32  -7.727  -5.760   8.701
  224    HA   ASN  32           HA       ASN  32  -5.126  -6.152   7.552
  225    HB2  ASN  32           HB2      ASN  32  -7.264  -8.167   8.282
  226    HB3  ASN  32           HB3      ASN  32  -5.596  -8.551   7.867
  227   HD21  ASN  32          HD21      ASN  32  -7.593  -8.362  10.363
  228   HD22  ASN  32          HD22      ASN  32  -6.503  -7.893  11.620
  229    H    CYS  33           H        CYS  33  -8.230  -5.750   6.294
  230    HA   CYS  33           HA       CYS  33  -7.310  -6.664   3.668
  231    HB2  CYS  33           HB2      CYS  33 -10.137  -7.207   4.533
  232    HB3  CYS  33           HB3      CYS  33  -9.236  -7.919   3.199
  233    H    LYS  34           H        LYS  34  -7.072  -4.154   4.006
  234    HA   LYS  34           HA       LYS  34  -9.316  -2.483   3.871
  235    HB2  LYS  34           HB2      LYS  34  -6.649  -1.920   2.576
  236    HB3  LYS  34           HB3      LYS  34  -7.816  -0.751   3.180
  237    HG2  LYS  34           HG2      LYS  34  -7.300  -2.212   5.417
  238    HG3  LYS  34           HG3      LYS  34  -5.738  -2.245   4.595
  239    HD2  LYS  34           HD2      LYS  34  -6.967   0.391   4.554
  240    HD3  LYS  34           HD3      LYS  34  -6.702  -0.207   6.194
  241    HE2  LYS  34           HE2      LYS  34  -4.446  -0.143   5.994
  242    HE3  LYS  34           HE3      LYS  34  -4.477  -0.579   4.286
  243    HZ1  LYS  34           HZ1      LYS  34  -5.319   2.087   5.264
  244    HZ2  LYS  34           HZ2      LYS  34  -4.958   1.626   3.677
  245    HZ3  LYS  34           HZ3      LYS  34  -3.721   1.743   4.826
  246    H    LYS  35           H        LYS  35  -7.946  -4.571   1.537
  247    HA   LYS  35           HA       LYS  35  -9.129  -3.176  -0.726
  248    HB2  LYS  35           HB2      LYS  35  -6.874  -4.402  -0.758
  249    HB3  LYS  35           HB3      LYS  35  -7.817  -5.886  -0.795
  250    HG2  LYS  35           HG2      LYS  35  -7.256  -5.396  -3.029
  251    HG3  LYS  35           HG3      LYS  35  -8.960  -4.974  -2.846
  252    HD2  LYS  35           HD2      LYS  35  -7.499  -2.668  -2.174
  253    HD3  LYS  35           HD3      LYS  35  -6.750  -3.318  -3.634
  254    HE2  LYS  35           HE2      LYS  35  -9.354  -3.560  -4.283
  255    HE3  LYS  35           HE3      LYS  35  -9.430  -2.152  -3.226
  256    HZ1  LYS  35           HZ1      LYS  35  -9.060  -1.700  -5.658
  257    HZ2  LYS  35           HZ2      LYS  35  -7.510  -2.350  -5.471
  258    HZ3  LYS  35           HZ3      LYS  35  -7.958  -0.970  -4.602
  259    H    THR  36           H        THR  36  -9.380  -6.417   0.742
  260    HA   THR  36           HA       THR  36 -11.492  -7.397  -0.738
  261    HB   THR  36           HB       THR  36 -10.926  -7.892   2.191
  262    HG1  THR  36           HG1      THR  36  -9.187  -8.630   1.106
  263   HG21  THR  36          HG21      THR  36 -13.201  -8.572   1.570
  264   HG22  THR  36          HG22      THR  36 -12.177  -9.972   1.892
  265   HG23  THR  36          HG23      THR  36 -12.551  -9.517   0.230
  266    H    CYS  37           H        CYS  37 -11.514  -5.006   1.776
  267    HA   CYS  37           HA       CYS  37 -14.430  -5.090   1.979
  268    HB2  CYS  37           HB2      CYS  37 -12.417  -3.414   3.494
  269    HB3  CYS  37           HB3      CYS  37 -14.146  -3.481   3.815
  270    H    GLY  38           H        GLY  38 -11.863  -3.252   0.558
  271    HA2  GLY  38           HA2      GLY  38 -12.034  -1.653  -1.119
  272    HA3  GLY  38           HA3      GLY  38 -13.778  -1.660  -0.907
  273    H    LEU  39           H        LEU  39 -10.746  -0.401   0.359
  274    HA   LEU  39           HA       LEU  39 -12.255   1.857   1.491
  275    HB2  LEU  39           HB2      LEU  39  -9.881   0.436   2.681
  276    HB3  LEU  39           HB3      LEU  39 -10.484   1.990   3.254
  277    HG   LEU  39           HG       LEU  39 -12.418  -0.256   3.162
  278   HD11  LEU  39          HD11      LEU  39 -11.375  -1.614   4.570
  279   HD12  LEU  39          HD12      LEU  39 -11.024  -0.283   5.672
  280   HD13  LEU  39          HD13      LEU  39  -9.914  -0.649   4.351
  281   HD21  LEU  39          HD21      LEU  39 -13.333   0.828   5.053
  282   HD22  LEU  39          HD22      LEU  39 -12.893   2.107   3.921
  283   HD23  LEU  39          HD23      LEU  39 -11.866   1.771   5.316
  284    H    CYS  40           H        CYS  40 -10.156   0.932  -0.821
  285    HA   CYS  40           HA       CYS  40  -8.142   2.932  -0.672
  286    HB2  CYS  40           HB2      CYS  40  -9.101   1.559  -3.183
  287    HB3  CYS  40           HB3      CYS  40  -7.508   2.238  -2.867
  Start of MODEL    8
    1    H1   ALA   1           H        ALA   1  -2.338   7.638  -0.173
    2    HA   ALA   1           HA       ALA   1  -2.441   6.236   1.640
    3    HB1  ALA   1           HB1      ALA   1  -4.428   5.766   2.635
    4    HB2  ALA   1           HB2      ALA   1  -4.973   7.046   1.551
    5    HB3  ALA   1           HB3      ALA   1  -5.221   5.355   1.115
    6    H    ALA   2           H        ALA   2  -1.445   4.337   1.568
    7    HA   ALA   2           HA       ALA   2  -1.548   2.685  -0.755
    8    HB1  ALA   2           HB1      ALA   2  -0.356   1.668   1.769
    9    HB2  ALA   2           HB2      ALA   2   0.254   1.591   0.115
   10    HB3  ALA   2           HB3      ALA   2   0.364   3.097   1.026
   11    H    CYS   3           H        CYS   3  -3.593   1.851  -1.034
   12    HA   CYS   3           HA       CYS   3  -4.804   0.326   1.140
   13    HB2  CYS   3           HB2      CYS   3  -6.328   1.768  -0.016
   14    HB3  CYS   3           HB3      CYS   3  -5.809   1.158  -1.584
   15    H    SER   4           H        SER   4  -4.736  -1.822   1.271
   16    HA   SER   4           HA       SER   4  -4.736  -3.599  -0.900
   17    HB2  SER   4           HB2      SER   4  -2.066  -2.732   0.089
   18    HB3  SER   4           HB3      SER   4  -2.281  -4.450  -0.248
   19    HG   SER   4           HG       SER   4  -2.170  -2.306  -1.979
   20    H    ASP   5           H        ASP   5  -3.681  -5.847  -0.017
   21    HA   ASP   5           HA       ASP   5  -5.027  -6.272   2.554
   22    HB2  ASP   5           HB2      ASP   5  -4.064  -8.490   0.776
   23    HB3  ASP   5           HB3      ASP   5  -5.408  -8.484   1.915
   24    H    ARG   6           H        ARG   6  -3.960  -6.900   4.336
   25    HA   ARG   6           HA       ARG   6  -1.082  -7.474   4.063
   26    HB2  ARG   6           HB2      ARG   6  -1.175  -6.658   6.586
   27    HB3  ARG   6           HB3      ARG   6  -1.013  -5.522   5.253
   28    HG2  ARG   6           HG2      ARG   6  -3.733  -6.241   6.235
   29    HG3  ARG   6           HG3      ARG   6  -2.747  -5.100   7.151
   30    HD2  ARG   6           HD2      ARG   6  -2.953  -4.671   4.227
   31    HD3  ARG   6           HD3      ARG   6  -4.393  -4.343   5.191
   32    HE   ARG   6           HE       ARG   6  -3.245  -2.609   6.280
   33   HH11  ARG   6          HH11      ARG   6  -1.284  -4.199   3.883
   34   HH12  ARG   6          HH12      ARG   6  -0.105  -2.931   3.817
   35   HH21  ARG   6          HH21      ARG   6  -1.701  -0.933   6.203
   36   HH22  ARG   6          HH22      ARG   6  -0.343  -1.074   5.138
   37    H    ALA   7           H        ALA   7  -4.119  -8.469   5.386
   38    HA   ALA   7           HA       ALA   7  -3.361 -10.194   7.415
   39    HB1  ALA   7           HB1      ALA   7  -5.718  -9.522   6.351
   40    HB2  ALA   7           HB2      ALA   7  -5.532 -11.123   5.633
   41    HB3  ALA   7           HB3      ALA   7  -5.502 -10.934   7.387
   42    H    HIS   8           H        HIS   8  -3.750 -12.697   7.167
   43    HA   HIS   8           HA       HIS   8  -1.551 -13.770   5.852
   44    HB2  HIS   8           HB2      HIS   8  -4.002 -14.892   7.108
   45    HB3  HIS   8           HB3      HIS   8  -3.078 -15.959   6.056
   46    HD1  HIS   8           HD1      HIS   8  -1.409 -17.289   7.283
   47    HD2  HIS   8           HD2      HIS   8  -2.081 -13.615   9.104
   48    HE1  HIS   8           HE1      HIS   8   0.048 -17.278   9.332
   49    H    GLY   9           H        GLY   9  -4.702 -13.012   4.650
   50    HA2  GLY   9           HA2      GLY   9  -4.741 -12.725   2.178
   51    HA3  GLY   9           HA3      GLY   9  -4.006 -14.318   2.091
   52    H    HIS  10           H        HIS  10  -5.332 -16.061   3.280
   53    HA   HIS  10           HA       HIS  10  -7.886 -16.167   2.037
   54    HB2  HIS  10           HB2      HIS  10  -6.264 -18.101   2.678
   55    HB3  HIS  10           HB3      HIS  10  -7.058 -18.022   4.249
   56    HD1  HIS  10           HD1      HIS  10  -8.995 -17.494   1.085
   57    HD2  HIS  10           HD2      HIS  10  -8.340 -20.473   3.906
   58    HE1  HIS  10           HE1      HIS  10 -10.711 -19.267   0.601
   59    H    ILE  11           H        ILE  11  -6.818 -14.802   4.932
   60    HA   ILE  11           HA       ILE  11  -9.087 -15.242   6.577
   61    HB   ILE  11           HB       ILE  11  -7.037 -13.025   6.650
   62   HG12  ILE  11          HG12      ILE  11  -6.561 -15.629   7.079
   63   HG13  ILE  11          HG13      ILE  11  -5.748 -14.356   7.983
   64   HG21  ILE  11          HG21      ILE  11  -8.922 -12.201   7.803
   65   HG22  ILE  11          HG22      ILE  11  -9.236 -13.762   8.561
   66   HG23  ILE  11          HG23      ILE  11  -7.831 -12.813   9.046
   67   HD11  ILE  11          HD11      ILE  11  -6.694 -16.305   9.300
   68   HD12  ILE  11          HD12      ILE  11  -7.101 -14.684   9.864
   69   HD13  ILE  11          HD13      ILE  11  -8.283 -15.625   8.955
   70    H    CYS  12           H        CYS  12  -8.149 -12.585   4.418
   71    HA   CYS  12           HA       CYS  12 -10.367 -10.932   4.951
   72    HB2  CYS  12           HB2      CYS  12  -8.834 -11.069   2.351
   73    HB3  CYS  12           HB3      CYS  12  -9.721  -9.693   2.998
   74    H    GLU  13           H        GLU  13  -9.800 -13.391   2.459
   75    HA   GLU  13           HA       GLU  13 -12.310 -13.015   1.170
   76    HB2  GLU  13           HB2      GLU  13 -10.063 -14.208   0.391
   77    HB3  GLU  13           HB3      GLU  13 -10.894 -15.630   1.005
   78    HG2  GLU  13           HG2      GLU  13 -12.716 -14.168  -0.605
   79    HG3  GLU  13           HG3      GLU  13 -11.204 -14.344  -1.494
   80    H    SER  14           H        SER  14 -11.106 -15.299   3.590
   81    HA   SER  14           HA       SER  14 -13.333 -16.972   3.731
   82    HB2  SER  14           HB2      SER  14 -11.200 -16.219   5.712
   83    HB3  SER  14           HB3      SER  14 -12.523 -17.287   6.181
   84    HG   SER  14           HG       SER  14 -11.871 -18.495   4.184
   85    H    PHE  15           H        PHE  15 -12.783 -13.795   5.050
   86    HA   PHE  15           HA       PHE  15 -15.545 -13.787   6.051
   87    HB2  PHE  15           HB2      PHE  15 -13.137 -12.639   7.478
   88    HB3  PHE  15           HB3      PHE  15 -14.809 -12.390   7.970
   89    HD1  PHE  15           HD1      PHE  15 -16.189 -14.455   8.552
   90    HD2  PHE  15           HD2      PHE  15 -11.946 -14.487   8.226
   91    HE1  PHE  15           HE1      PHE  15 -16.106 -16.521   9.887
   92    HE2  PHE  15           HE2      PHE  15 -11.855 -16.552   9.560
   93    HZ   PHE  15           HZ       PHE  15 -13.937 -17.573  10.391
   94    H    LYS  16           H        LYS  16 -14.760 -12.872   3.552
   95    HA   LYS  16           HA       LYS  16 -14.215 -10.073   3.556
   96    HB2  LYS  16           HB2      LYS  16 -14.865 -10.217   1.140
   97    HB3  LYS  16           HB3      LYS  16 -13.601 -11.341   1.621
   98    HG2  LYS  16           HG2      LYS  16 -14.803 -13.073   0.945
   99    HG3  LYS  16           HG3      LYS  16 -16.183 -12.563   1.921
  100    HD2  LYS  16           HD2      LYS  16 -15.695 -11.026  -0.554
  101    HD3  LYS  16           HD3      LYS  16 -16.227 -12.696  -0.767
  102    HE2  LYS  16           HE2      LYS  16 -17.639 -10.809   1.095
  103    HE3  LYS  16           HE3      LYS  16 -18.023 -10.873  -0.625
  104    HZ1  LYS  16           HZ1      LYS  16 -19.519 -12.308   0.477
  105    HZ2  LYS  16           HZ2      LYS  16 -18.288 -13.052   1.367
  106    HZ3  LYS  16           HZ3      LYS  16 -18.400 -13.311  -0.301
  107    H    SER  17           H        SER  17 -17.122 -12.026   3.540
  108    HA   SER  17           HA       SER  17 -18.893  -9.862   2.926
  109    HB2  SER  17           HB2      SER  17 -20.555 -11.663   4.009
  110    HB3  SER  17           HB3      SER  17 -19.931 -11.825   2.367
  111    HG   SER  17           HG       SER  17 -19.742 -13.708   3.843
  112    H    PHE  18           H        PHE  18 -17.137 -10.649   5.647
  113    HA   PHE  18           HA       PHE  18 -19.106  -9.558   7.517
  114    HB2  PHE  18           HB2      PHE  18 -16.397 -10.802   8.037
  115    HB3  PHE  18           HB3      PHE  18 -17.534 -10.278   9.275
  116    HD1  PHE  18           HD1      PHE  18 -17.126 -12.638   6.445
  117    HD2  PHE  18           HD2      PHE  18 -19.203 -11.712  10.043
  118    HE1  PHE  18           HE1      PHE  18 -18.191 -14.856   6.398
  119    HE2  PHE  18           HE2      PHE  18 -20.270 -13.928  10.002
  120    HZ   PHE  18           HZ       PHE  18 -19.764 -15.504   8.179
  121    H    CYS  19           H        CYS  19 -17.178  -8.204   5.426
  122    HA   CYS  19           HA       CYS  19 -15.516  -6.488   6.967
  123    HB2  CYS  19           HB2      CYS  19 -16.386  -6.644   4.124
  124    HB3  CYS  19           HB3      CYS  19 -15.753  -5.104   4.696
  125    H    LYS  20           H        LYS  20 -18.857  -6.464   6.150
  126    HA   LYS  20           HA       LYS  20 -19.131  -3.644   6.902
  127    HB2  LYS  20           HB2      LYS  20 -21.503  -3.951   6.134
  128    HB3  LYS  20           HB3      LYS  20 -20.289  -4.172   4.881
  129    HG2  LYS  20           HG2      LYS  20 -21.088  -6.182   4.434
  130    HG3  LYS  20           HG3      LYS  20 -20.790  -6.692   6.097
  131    HD2  LYS  20           HD2      LYS  20 -23.107  -7.027   5.661
  132    HD3  LYS  20           HD3      LYS  20 -22.974  -5.618   6.715
  133    HE2  LYS  20           HE2      LYS  20 -23.183  -4.152   4.755
  134    HE3  LYS  20           HE3      LYS  20 -23.347  -5.570   3.721
  135    HZ1  LYS  20           HZ1      LYS  20 -25.187  -5.401   5.965
  136    HZ2  LYS  20           HZ2      LYS  20 -25.460  -5.914   4.377
  137    HZ3  LYS  20           HZ3      LYS  20 -25.416  -4.262   4.736
  138    H    ASP  21           H        ASP  21 -18.709  -6.176   8.640
  139    HA   ASP  21           HA       ASP  21 -21.093  -6.261  10.257
  140    HB2  ASP  21           HB2      ASP  21 -18.382  -7.547  10.424
  141    HB3  ASP  21           HB3      ASP  21 -19.497  -7.624  11.786
  142    H    SER  22           H        SER  22 -21.552  -5.057  11.984
  143    HA   SER  22           HA       SER  22 -19.753  -2.933  12.738
  144    HB2  SER  22           HB2      SER  22 -22.178  -2.529  12.561
  145    HB3  SER  22           HB3      SER  22 -22.464  -3.684  13.863
  146    HG   SER  22           HG       SER  22 -22.410  -1.735  14.847
  147    H    GLY  23           H        GLY  23 -18.325  -5.031  13.347
  148    HA2  GLY  23           HA2      GLY  23 -18.271  -4.992  16.261
  149    HA3  GLY  23           HA3      GLY  23 -18.481  -6.569  15.512
  150    H    ARG  24           H        ARG  24 -16.388  -6.609  16.962
  151    HA   ARG  24           HA       ARG  24 -14.002  -5.468  16.173
  152    HB2  ARG  24           HB2      ARG  24 -14.300  -8.297  17.189
  153    HB3  ARG  24           HB3      ARG  24 -12.887  -7.259  17.335
  154    HG2  ARG  24           HG2      ARG  24 -14.897  -5.788  18.523
  155    HG3  ARG  24           HG3      ARG  24 -15.239  -7.447  19.016
  156    HD2  ARG  24           HD2      ARG  24 -12.531  -7.300  19.342
  157    HD3  ARG  24           HD3      ARG  24 -13.040  -5.668  19.772
  158    HE   ARG  24           HE       ARG  24 -14.683  -7.562  21.066
  159   HH11  ARG  24          HH11      ARG  24 -11.459  -6.251  21.146
  160   HH12  ARG  24          HH12      ARG  24 -11.238  -6.552  22.838
  161   HH21  ARG  24          HH21      ARG  24 -14.404  -7.964  23.294
  162   HH22  ARG  24          HH22      ARG  24 -12.913  -7.527  24.059
  163    H    ASN  25           H        ASN  25 -15.588  -8.368  14.924
  164    HA   ASN  25           HA       ASN  25 -13.544  -9.306  13.277
  165    HB2  ASN  25           HB2      ASN  25 -16.504  -9.601  13.347
  166    HB3  ASN  25           HB3      ASN  25 -15.684 -10.065  11.858
  167   HD21  ASN  25          HD21      ASN  25 -17.097 -11.673  13.871
  168   HD22  ASN  25          HD22      ASN  25 -15.964 -12.870  14.388
  169    H    GLY  26           H        GLY  26 -16.094  -6.931  12.625
  170    HA2  GLY  26           HA2      GLY  26 -15.451  -6.542   9.892
  171    HA3  GLY  26           HA3      GLY  26 -16.380  -5.441  10.899
  172    H    VAL  27           H        VAL  27 -14.600  -4.663  12.794
  173    HA   VAL  27           HA       VAL  27 -13.122  -2.673  11.508
  174    HB   VAL  27           HB       VAL  27 -12.655  -3.790  14.277
  175   HG11  VAL  27          HG11      VAL  27 -11.405  -1.653  12.761
  176   HG12  VAL  27          HG12      VAL  27 -12.093  -1.084  14.283
  177   HG13  VAL  27          HG13      VAL  27 -10.914  -2.396  14.283
  178   HG21  VAL  27          HG21      VAL  27 -14.947  -3.122  14.075
  179   HG22  VAL  27          HG22      VAL  27 -14.094  -1.879  14.989
  180   HG23  VAL  27          HG23      VAL  27 -14.490  -1.609  13.292
  181    H    LYS  28           H        LYS  28 -12.050  -5.757  12.908
  182    HA   LYS  28           HA       LYS  28  -9.310  -5.420  12.317
  183    HB2  LYS  28           HB2      LYS  28 -10.967  -7.902  12.783
  184    HB3  LYS  28           HB3      LYS  28  -9.218  -7.926  12.597
  185    HG2  LYS  28           HG2      LYS  28  -8.845  -6.989  14.639
  186    HG3  LYS  28           HG3      LYS  28 -10.373  -6.106  14.637
  187    HD2  LYS  28           HD2      LYS  28 -11.343  -7.718  15.822
  188    HD3  LYS  28           HD3      LYS  28 -10.903  -8.918  14.604
  189    HE2  LYS  28           HE2      LYS  28  -8.618  -8.983  15.676
  190    HE3  LYS  28           HE3      LYS  28  -9.299  -8.023  16.990
  191    HZ1  LYS  28           HZ1      LYS  28 -11.078 -10.017  16.787
  192    HZ2  LYS  28           HZ2      LYS  28  -9.771 -10.016  17.860
  193    HZ3  LYS  28           HZ3      LYS  28  -9.649 -10.826  16.380
  194    H    LEU  29           H        LEU  29 -12.020  -6.391  10.401
  195    HA   LEU  29           HA       LEU  29 -10.524  -7.710   8.350
  196    HB2  LEU  29           HB2      LEU  29 -13.329  -6.756   8.668
  197    HB3  LEU  29           HB3      LEU  29 -12.743  -7.159   7.056
  198    HG   LEU  29           HG       LEU  29 -12.618  -9.093   9.359
  199   HD11  LEU  29          HD11      LEU  29 -14.960  -8.307   8.864
  200   HD12  LEU  29          HD12      LEU  29 -14.678 -10.038   8.678
  201   HD13  LEU  29          HD13      LEU  29 -14.765  -9.001   7.254
  202   HD21  LEU  29          HD21      LEU  29 -11.198  -9.354   7.251
  203   HD22  LEU  29          HD22      LEU  29 -12.717  -9.675   6.415
  204   HD23  LEU  29          HD23      LEU  29 -12.197 -10.725   7.734
  205    H    ARG  30           H        ARG  30 -11.939  -4.477   8.718
  206    HA   ARG  30           HA       ARG  30 -11.128  -3.534   6.170
  207    HB2  ARG  30           HB2      ARG  30 -11.840  -2.031   8.694
  208    HB3  ARG  30           HB3      ARG  30 -11.607  -1.281   7.121
  209    HG2  ARG  30           HG2      ARG  30 -13.438  -3.232   6.564
  210    HG3  ARG  30           HG3      ARG  30 -13.901  -2.727   8.190
  211    HD2  ARG  30           HD2      ARG  30 -13.285  -0.441   6.552
  212    HD3  ARG  30           HD3      ARG  30 -14.500  -1.453   5.771
  213    HE   ARG  30           HE       ARG  30 -15.017  -0.903   8.553
  214   HH11  ARG  30          HH11      ARG  30 -15.460   0.164   5.269
  215   HH12  ARG  30          HH12      ARG  30 -16.869   1.107   5.628
  216   HH21  ARG  30          HH21      ARG  30 -16.871   0.334   9.038
  217   HH22  ARG  30          HH22      ARG  30 -17.670   1.204   7.772
  218    H    ALA  31           H        ALA  31  -9.444  -4.069   9.085
  219    HA   ALA  31           HA       ALA  31  -7.348  -2.137   8.525
  220    HB1  ALA  31           HB1      ALA  31  -7.414  -4.250  10.673
  221    HB2  ALA  31           HB2      ALA  31  -6.365  -2.835  10.595
  222    HB3  ALA  31           HB3      ALA  31  -8.099  -2.634  10.847
  223    H    ASN  32           H        ASN  32  -7.529  -5.682   8.912
  224    HA   ASN  32           HA       ASN  32  -4.928  -6.057   7.753
  225    HB2  ASN  32           HB2      ASN  32  -7.076  -8.095   8.380
  226    HB3  ASN  32           HB3      ASN  32  -5.392  -8.451   8.005
  227   HD21  ASN  32          HD21      ASN  32  -7.466  -8.366  10.442
  228   HD22  ASN  32          HD22      ASN  32  -6.422  -7.930  11.747
  229    H    CYS  33           H        CYS  33  -8.003  -5.538   6.501
  230    HA   CYS  33           HA       CYS  33  -7.102  -6.386   3.848
  231    HB2  CYS  33           HB2      CYS  33  -9.951  -6.897   4.631
  232    HB3  CYS  33           HB3      CYS  33  -9.002  -7.633   3.343
  233    H    LYS  34           H        LYS  34  -6.801  -3.915   4.187
  234    HA   LYS  34           HA       LYS  34  -9.024  -2.193   4.139
  235    HB2  LYS  34           HB2      LYS  34  -6.377  -1.602   2.824
  236    HB3  LYS  34           HB3      LYS  34  -7.502  -0.465   3.556
  237    HG2  LYS  34           HG2      LYS  34  -6.927  -2.076   5.666
  238    HG3  LYS  34           HG3      LYS  34  -5.400  -2.095   4.780
  239    HD2  LYS  34           HD2      LYS  34  -6.472   0.575   4.888
  240    HD3  LYS  34           HD3      LYS  34  -6.346  -0.105   6.512
  241    HE2  LYS  34           HE2      LYS  34  -4.062  -0.295   6.402
  242    HE3  LYS  34           HE3      LYS  34  -4.051  -0.440   4.645
  243    HZ1  LYS  34           HZ1      LYS  34  -5.051   2.090   5.365
  244    HZ2  LYS  34           HZ2      LYS  34  -3.658   1.718   4.481
  245    HZ3  LYS  34           HZ3      LYS  34  -3.583   1.838   6.167
  246    H    LYS  35           H        LYS  35  -7.703  -4.240   1.745
  247    HA   LYS  35           HA       LYS  35  -8.950  -2.762  -0.447
  248    HB2  LYS  35           HB2      LYS  35  -6.718  -3.594  -0.877
  249    HB3  LYS  35           HB3      LYS  35  -7.196  -5.224  -0.420
  250    HG2  LYS  35           HG2      LYS  35  -8.962  -4.467  -2.451
  251    HG3  LYS  35           HG3      LYS  35  -7.367  -3.919  -2.970
  252    HD2  LYS  35           HD2      LYS  35  -6.652  -6.010  -3.330
  253    HD3  LYS  35           HD3      LYS  35  -7.335  -6.594  -1.811
  254    HE2  LYS  35           HE2      LYS  35  -9.205  -7.345  -2.804
  255    HE3  LYS  35           HE3      LYS  35  -9.324  -5.939  -3.861
  256    HZ1  LYS  35           HZ1      LYS  35  -7.484  -6.951  -5.185
  257    HZ2  LYS  35           HZ2      LYS  35  -8.937  -7.817  -5.223
  258    HZ3  LYS  35           HZ3      LYS  35  -7.655  -8.357  -4.259
  259    H    THR  36           H        THR  36  -8.956  -6.082   0.855
  260    HA   THR  36           HA       THR  36 -10.994  -7.154  -0.653
  261    HB   THR  36           HB       THR  36 -10.654  -7.742   2.288
  262    HG1  THR  36           HG1      THR  36  -9.010  -8.327   0.085
  263   HG21  THR  36          HG21      THR  36 -12.538  -8.738   0.774
  264   HG22  THR  36          HG22      THR  36 -11.633  -9.794   1.860
  265   HG23  THR  36          HG23      THR  36 -11.234  -9.743   0.143
  266    H    CYS  37           H        CYS  37 -11.201  -4.922   2.020
  267    HA   CYS  37           HA       CYS  37 -14.080  -5.220   2.253
  268    HB2  CYS  37           HB2      CYS  37 -12.108  -3.402   3.648
  269    HB3  CYS  37           HB3      CYS  37 -13.839  -3.402   3.969
  270    H    GLY  38           H        GLY  38 -11.746  -3.068   0.800
  271    HA2  GLY  38           HA2      GLY  38 -12.250  -1.680  -1.048
  272    HA3  GLY  38           HA3      GLY  38 -13.940  -1.694  -0.567
  273    H    LEU  39           H        LEU  39 -10.754  -0.433   0.317
  274    HA   LEU  39           HA       LEU  39 -12.100   1.952   1.387
  275    HB2  LEU  39           HB2      LEU  39  -9.760   0.482   2.584
  276    HB3  LEU  39           HB3      LEU  39 -10.261   2.099   3.077
  277    HG   LEU  39           HG       LEU  39 -12.306  -0.045   3.195
  278   HD11  LEU  39          HD11      LEU  39 -11.176  -1.397   4.536
  279   HD12  LEU  39          HD12      LEU  39 -10.966  -0.068   5.676
  280   HD13  LEU  39          HD13      LEU  39  -9.754  -0.359   4.428
  281   HD21  LEU  39          HD21      LEU  39 -13.079   1.199   5.066
  282   HD22  LEU  39          HD22      LEU  39 -12.673   2.364   3.805
  283   HD23  LEU  39          HD23      LEU  39 -11.574   2.113   5.162
  284    H    CYS  40           H        CYS  40 -10.303   0.873  -1.024
  285    HA   CYS  40           HA       CYS  40  -8.079   2.642  -1.070
  286    HB2  CYS  40           HB2      CYS  40  -9.416   1.415  -3.482
  287    HB3  CYS  40           HB3      CYS  40  -7.734   1.904  -3.312
  Start of MODEL    9
    1    H1   ALA   1           H        ALA   1  -0.615   6.483   0.964
    2    HA   ALA   1           HA       ALA   1  -1.724   5.265   3.095
    3    HB1  ALA   1           HB1      ALA   1  -4.076   5.650   3.119
    4    HB2  ALA   1           HB2      ALA   1  -3.280   7.222   3.197
    5    HB3  ALA   1           HB3      ALA   1  -3.983   6.665   1.679
    6    H    ALA   2           H        ALA   2  -0.740   3.637   1.802
    7    HA   ALA   2           HA       ALA   2  -1.829   2.915  -0.750
    8    HB1  ALA   2           HB1      ALA   2   0.456   2.421  -0.425
    9    HB2  ALA   2           HB2      ALA   2   0.137   1.582   1.094
   10    HB3  ALA   2           HB3      ALA   2  -0.378   0.867  -0.434
   11    H    CYS   3           H        CYS   3  -3.457   1.570  -1.198
   12    HA   CYS   3           HA       CYS   3  -4.774   0.214   1.044
   13    HB2  CYS   3           HB2      CYS   3  -6.255   1.668  -0.151
   14    HB3  CYS   3           HB3      CYS   3  -5.752   1.004  -1.702
   15    H    SER   4           H        SER   4  -4.765  -1.931   1.228
   16    HA   SER   4           HA       SER   4  -4.813  -3.763  -0.894
   17    HB2  SER   4           HB2      SER   4  -2.118  -2.936   0.058
   18    HB3  SER   4           HB3      SER   4  -2.376  -4.656  -0.230
   19    HG   SER   4           HG       SER   4  -2.503  -4.298  -2.312
   20    H    ASP   5           H        ASP   5  -3.806  -6.012   0.044
   21    HA   ASP   5           HA       ASP   5  -5.149  -6.337   2.631
   22    HB2  ASP   5           HB2      ASP   5  -4.253  -8.651   0.959
   23    HB3  ASP   5           HB3      ASP   5  -5.640  -8.522   2.037
   24    H    ARG   6           H        ARG   6  -4.050  -6.807   4.424
   25    HA   ARG   6           HA       ARG   6  -1.203  -7.513   4.148
   26    HB2  ARG   6           HB2      ARG   6  -1.221  -6.602   6.624
   27    HB3  ARG   6           HB3      ARG   6  -1.106  -5.504   5.255
   28    HG2  ARG   6           HG2      ARG   6  -3.805  -6.181   6.297
   29    HG3  ARG   6           HG3      ARG   6  -2.790  -5.078   7.228
   30    HD2  ARG   6           HD2      ARG   6  -3.301  -4.702   4.290
   31    HD3  ARG   6           HD3      ARG   6  -4.374  -4.042   5.524
   32    HE   ARG   6           HE       ARG   6  -1.863  -2.993   4.723
   33   HH11  ARG   6          HH11      ARG   6  -3.911  -3.438   7.503
   34   HH12  ARG   6          HH12      ARG   6  -3.270  -2.073   8.356
   35   HH21  ARG   6          HH21      ARG   6  -1.011  -1.194   5.837
   36   HH22  ARG   6          HH22      ARG   6  -1.621  -0.797   7.408
   37    H    ALA   7           H        ALA   7  -4.251  -8.385   5.532
   38    HA   ALA   7           HA       ALA   7  -3.524 -10.054   7.616
   39    HB1  ALA   7           HB1      ALA   7  -5.710 -11.055   5.917
   40    HB2  ALA   7           HB2      ALA   7  -5.685 -10.687   7.642
   41    HB3  ALA   7           HB3      ALA   7  -5.871  -9.387   6.465
   42    H    HIS   8           H        HIS   8  -3.976 -12.558   7.453
   43    HA   HIS   8           HA       HIS   8  -1.800 -13.746   6.233
   44    HB2  HIS   8           HB2      HIS   8  -4.352 -14.747   7.385
   45    HB3  HIS   8           HB3      HIS   8  -3.426 -15.867   6.390
   46    HD1  HIS   8           HD1      HIS   8  -0.720 -15.887   7.191
   47    HD2  HIS   8           HD2      HIS   8  -3.636 -14.891   9.978
   48    HE1  HIS   8           HE1      HIS   8   0.346 -16.254   9.439
   49    H    GLY   9           H        GLY   9  -4.886 -12.921   4.887
   50    HA2  GLY   9           HA2      GLY   9  -4.882 -12.642   2.436
   51    HA3  GLY   9           HA3      GLY   9  -4.063 -14.194   2.350
   52    H    HIS  10           H        HIS  10  -5.417 -15.916   3.753
   53    HA   HIS  10           HA       HIS  10  -7.862 -16.230   2.299
   54    HB2  HIS  10           HB2      HIS  10  -6.186 -18.042   3.172
   55    HB3  HIS  10           HB3      HIS  10  -7.131 -17.936   4.653
   56    HD1  HIS  10           HD1      HIS  10  -7.495 -18.848   1.009
   57    HD2  HIS  10           HD2      HIS  10  -9.540 -19.260   4.602
   58    HE1  HIS  10           HE1      HIS  10  -9.394 -20.424   0.525
   59    H    ILE  11           H        ILE  11  -7.020 -14.747   5.235
   60    HA   ILE  11           HA       ILE  11  -9.412 -15.177   6.700
   61    HB   ILE  11           HB       ILE  11  -7.411 -12.924   6.904
   62   HG12  ILE  11          HG12      ILE  11  -7.022 -15.587   7.433
   63   HG13  ILE  11          HG13      ILE  11  -6.123 -14.269   8.176
   64   HG21  ILE  11          HG21      ILE  11  -9.668 -13.747   8.718
   65   HG22  ILE  11          HG22      ILE  11  -8.359 -12.672   9.208
   66   HG23  ILE  11          HG23      ILE  11  -9.448 -12.198   7.904
   67   HD11  ILE  11          HD11      ILE  11  -7.484 -14.324  10.112
   68   HD12  ILE  11          HD12      ILE  11  -8.641 -15.412   9.346
   69   HD13  ILE  11          HD13      ILE  11  -7.025 -15.988   9.752
   70    H    CYS  12           H        CYS  12  -8.299 -12.495   4.647
   71    HA   CYS  12           HA       CYS  12 -10.486 -10.809   4.945
   72    HB2  CYS  12           HB2      CYS  12  -8.909 -11.189   2.394
   73    HB3  CYS  12           HB3      CYS  12  -9.784  -9.746   2.898
   74    H    GLU  13           H        GLU  13  -9.959 -13.369   2.534
   75    HA   GLU  13           HA       GLU  13 -12.499 -13.016   1.289
   76    HB2  GLU  13           HB2      GLU  13 -10.263 -14.962   1.088
   77    HB3  GLU  13           HB3      GLU  13 -11.839 -15.495   0.521
   78    HG2  GLU  13           HG2      GLU  13 -11.564 -12.992  -0.602
   79    HG3  GLU  13           HG3      GLU  13  -9.941 -13.673  -0.694
   80    H    SER  14           H        SER  14 -11.224 -15.254   3.713
   81    HA   SER  14           HA       SER  14 -13.348 -17.008   3.929
   82    HB2  SER  14           HB2      SER  14 -11.286 -16.020   5.860
   83    HB3  SER  14           HB3      SER  14 -12.606 -17.024   6.461
   84    HG   SER  14           HG       SER  14 -11.968 -18.655   5.084
   85    H    PHE  15           H        PHE  15 -13.024 -13.750   5.168
   86    HA   PHE  15           HA       PHE  15 -15.858 -13.807   5.912
   87    HB2  PHE  15           HB2      PHE  15 -13.733 -12.524   7.637
   88    HB3  PHE  15           HB3      PHE  15 -15.454 -12.638   7.987
   89    HD1  PHE  15           HD2      PHE  15 -16.454 -14.926   8.367
   90    HD2  PHE  15           HD1      PHE  15 -12.258 -14.218   8.276
   91    HE1  PHE  15           HE2      PHE  15 -16.073 -17.049   9.551
   92    HE2  PHE  15           HE1      PHE  15 -11.870 -16.340   9.459
   93    HZ   PHE  15           HZ       PHE  15 -13.779 -17.758  10.099
   94    H    LYS  16           H        LYS  16 -14.962 -12.813   3.546
   95    HA   LYS  16           HA       LYS  16 -14.323 -10.041   3.641
   96    HB2  LYS  16           HB2      LYS  16 -14.917 -10.095   1.206
   97    HB3  LYS  16           HB3      LYS  16 -13.709 -11.279   1.687
   98    HG2  LYS  16           HG2      LYS  16 -15.050 -13.037   1.234
   99    HG3  LYS  16           HG3      LYS  16 -16.516 -12.188   1.728
  100    HD2  LYS  16           HD2      LYS  16 -16.846 -12.324  -0.541
  101    HD3  LYS  16           HD3      LYS  16 -16.033 -10.761  -0.424
  102    HE2  LYS  16           HE2      LYS  16 -14.726 -11.648  -2.040
  103    HE3  LYS  16           HE3      LYS  16 -13.895 -12.365  -0.661
  104    HZ1  LYS  16           HZ1      LYS  16 -14.624 -14.411  -1.177
  105    HZ2  LYS  16           HZ2      LYS  16 -14.818 -13.767  -2.729
  106    HZ3  LYS  16           HZ3      LYS  16 -16.146 -13.877  -1.688
  107    H    SER  17           H        SER  17 -17.290 -11.867   3.623
  108    HA   SER  17           HA       SER  17 -18.989  -9.669   2.935
  109    HB2  SER  17           HB2      SER  17 -19.736 -11.935   2.493
  110    HB3  SER  17           HB3      SER  17 -19.604 -12.349   4.203
  111    HG   SER  17           HG       SER  17 -21.765 -11.746   3.318
  112    H    PHE  18           H        PHE  18 -17.351 -10.585   5.749
  113    HA   PHE  18           HA       PHE  18 -19.244  -9.294   7.551
  114    HB2  PHE  18           HB2      PHE  18 -16.582 -10.612   8.128
  115    HB3  PHE  18           HB3      PHE  18 -17.718 -10.024   9.338
  116    HD1  PHE  18           HD2      PHE  18 -17.302 -12.489   6.607
  117    HD2  PHE  18           HD1      PHE  18 -19.481 -11.367  10.087
  118    HE1  PHE  18           HE2      PHE  18 -18.430 -14.676   6.602
  119    HE2  PHE  18           HE1      PHE  18 -20.612 -13.552  10.088
  120    HZ   PHE  18           HZ       PHE  18 -20.088 -15.209   8.343
  121    H    CYS  19           H        CYS  19 -17.216  -8.101   5.433
  122    HA   CYS  19           HA       CYS  19 -15.463  -6.426   6.870
  123    HB2  CYS  19           HB2      CYS  19 -16.542  -6.483   4.087
  124    HB3  CYS  19           HB3      CYS  19 -15.745  -5.013   4.641
  125    H    LYS  20           H        LYS  20 -18.844  -6.211   6.164
  126    HA   LYS  20           HA       LYS  20 -18.952  -3.402   6.969
  127    HB2  LYS  20           HB2      LYS  20 -21.381  -3.613   6.370
  128    HB3  LYS  20           HB3      LYS  20 -20.269  -3.896   5.037
  129    HG2  LYS  20           HG2      LYS  20 -21.197  -5.866   4.667
  130    HG3  LYS  20           HG3      LYS  20 -20.780  -6.386   6.301
  131    HD2  LYS  20           HD2      LYS  20 -23.106  -4.595   6.117
  132    HD3  LYS  20           HD3      LYS  20 -23.315  -6.174   5.355
  133    HE2  LYS  20           HE2      LYS  20 -22.074  -6.177   8.032
  134    HE3  LYS  20           HE3      LYS  20 -23.769  -5.696   7.967
  135    HZ1  LYS  20           HZ1      LYS  20 -23.299  -8.140   8.281
  136    HZ2  LYS  20           HZ2      LYS  20 -22.779  -8.167   6.672
  137    HZ3  LYS  20           HZ3      LYS  20 -24.376  -7.746   7.037
  138    H    ASP  21           H        ASP  21 -18.440  -5.843   8.738
  139    HA   ASP  21           HA       ASP  21 -20.724  -5.925  10.492
  140    HB2  ASP  21           HB2      ASP  21 -19.026  -7.815  10.055
  141    HB3  ASP  21           HB3      ASP  21 -17.975  -6.946  11.171
  142    H    SER  22           H        SER  22 -20.980  -4.936  12.445
  143    HA   SER  22           HA       SER  22 -19.405  -2.568  12.906
  144    HB2  SER  22           HB2      SER  22 -21.851  -2.548  13.219
  145    HB3  SER  22           HB3      SER  22 -21.691  -3.727  14.520
  146    HG   SER  22           HG       SER  22 -21.307  -2.121  15.799
  147    H    GLY  23           H        GLY  23 -19.476  -5.802  14.083
  148    HA2  GLY  23           HA2      GLY  23 -18.260  -5.319  16.621
  149    HA3  GLY  23           HA3      GLY  23 -18.368  -6.868  15.799
  150    H    ARG  24           H        ARG  24 -16.132  -6.643  17.066
  151    HA   ARG  24           HA       ARG  24 -14.018  -5.204  15.970
  152    HB2  ARG  24           HB2      ARG  24 -12.549  -6.833  17.046
  153    HB3  ARG  24           HB3      ARG  24 -13.877  -6.393  18.111
  154    HG2  ARG  24           HG2      ARG  24 -14.990  -8.532  17.054
  155    HG3  ARG  24           HG3      ARG  24 -13.308  -8.969  16.748
  156    HD2  ARG  24           HD2      ARG  24 -12.947  -9.451  18.897
  157    HD3  ARG  24           HD3      ARG  24 -13.701  -7.951  19.435
  158    HE   ARG  24           HE       ARG  24 -15.812  -9.502  18.748
  159   HH11  ARG  24          HH11      ARG  24 -13.055  -9.977  20.820
  160   HH12  ARG  24          HH12      ARG  24 -13.887 -11.049  21.898
  161   HH21  ARG  24          HH21      ARG  24 -16.917 -10.911  20.160
  162   HH22  ARG  24          HH22      ARG  24 -16.083 -11.580  21.521
  163    H    ASN  25           H        ASN  25 -15.364  -8.330  15.043
  164    HA   ASN  25           HA       ASN  25 -13.434  -9.242  13.299
  165    HB2  ASN  25           HB2      ASN  25 -16.383  -9.575  13.503
  166    HB3  ASN  25           HB3      ASN  25 -15.619 -10.080  11.998
  167   HD21  ASN  25          HD21      ASN  25 -16.115 -10.769  15.315
  168   HD22  ASN  25          HD22      ASN  25 -15.256 -12.267  15.363
  169    H    GLY  26           H        GLY  26 -16.058  -6.941  12.662
  170    HA2  GLY  26           HA2      GLY  26 -15.486  -6.632   9.896
  171    HA3  GLY  26           HA3      GLY  26 -16.453  -5.543  10.879
  172    H    VAL  27           H        VAL  27 -14.630  -4.680  12.741
  173    HA   VAL  27           HA       VAL  27 -13.308  -2.622  11.399
  174    HB   VAL  27           HB       VAL  27 -12.555  -3.694  14.118
  175   HG11  VAL  27          HG11      VAL  27 -12.416  -0.921  14.092
  176   HG12  VAL  27          HG12      VAL  27 -11.058  -2.046  14.035
  177   HG13  VAL  27          HG13      VAL  27 -11.741  -1.410  12.538
  178   HG21  VAL  27          HG21      VAL  27 -14.188  -1.975  14.955
  179   HG22  VAL  27          HG22      VAL  27 -14.790  -1.846  13.302
  180   HG23  VAL  27          HG23      VAL  27 -14.912  -3.378  14.168
  181    H    LYS  28           H        LYS  28 -12.023  -5.652  12.736
  182    HA   LYS  28           HA       LYS  28  -9.333  -5.186  12.028
  183    HB2  LYS  28           HB2      LYS  28 -10.842  -7.758  12.511
  184    HB3  LYS  28           HB3      LYS  28  -9.099  -7.674  12.288
  185    HG2  LYS  28           HG2      LYS  28 -10.631  -6.286  14.477
  186    HG3  LYS  28           HG3      LYS  28  -9.750  -7.806  14.651
  187    HD2  LYS  28           HD2      LYS  28  -7.929  -6.040  13.491
  188    HD3  LYS  28           HD3      LYS  28  -8.770  -5.088  14.718
  189    HE2  LYS  28           HE2      LYS  28  -8.154  -6.586  16.437
  190    HE3  LYS  28           HE3      LYS  28  -7.636  -7.815  15.285
  191    HZ1  LYS  28           HZ1      LYS  28  -6.295  -5.262  15.949
  192    HZ2  LYS  28           HZ2      LYS  28  -5.901  -6.153  14.567
  193    HZ3  LYS  28           HZ3      LYS  28  -5.685  -6.833  16.101
  194    H    LEU  29           H        LEU  29 -12.067  -6.398  10.247
  195    HA   LEU  29           HA       LEU  29 -10.619  -7.595   8.118
  196    HB2  LEU  29           HB2      LEU  29 -13.434  -6.695   8.527
  197    HB3  LEU  29           HB3      LEU  29 -12.889  -7.112   6.904
  198    HG   LEU  29           HG       LEU  29 -12.698  -8.997   9.247
  199   HD11  LEU  29          HD11      LEU  29 -14.840  -8.914   7.130
  200   HD12  LEU  29          HD12      LEU  29 -15.047  -8.348   8.787
  201   HD13  LEU  29          HD13      LEU  29 -14.710 -10.050   8.473
  202   HD21  LEU  29          HD21      LEU  29 -12.743  -9.648   6.316
  203   HD22  LEU  29          HD22      LEU  29 -12.218 -10.657   7.664
  204   HD23  LEU  29          HD23      LEU  29 -11.244  -9.273   7.166
  205    H    ARG  30           H        ARG  30 -12.131  -4.407   8.527
  206    HA   ARG  30           HA       ARG  30 -11.394  -3.442   5.961
  207    HB2  ARG  30           HB2      ARG  30 -12.137  -1.956   8.486
  208    HB3  ARG  30           HB3      ARG  30 -11.963  -1.210   6.903
  209    HG2  ARG  30           HG2      ARG  30 -13.714  -3.233   6.378
  210    HG3  ARG  30           HG3      ARG  30 -14.168  -2.764   8.018
  211    HD2  ARG  30           HD2      ARG  30 -13.695  -0.442   6.379
  212    HD3  ARG  30           HD3      ARG  30 -14.884  -1.504   5.627
  213    HE   ARG  30           HE       ARG  30 -15.350  -0.989   8.424
  214   HH11  ARG  30          HH11      ARG  30 -15.926   0.073   5.159
  215   HH12  ARG  30          HH12      ARG  30 -17.365   0.952   5.560
  216   HH21  ARG  30          HH21      ARG  30 -17.242   0.164   8.965
  217   HH22  ARG  30          HH22      ARG  30 -18.112   1.004   7.726
  218    H    ALA  31           H        ALA  31  -9.652  -3.911   8.848
  219    HA   ALA  31           HA       ALA  31  -7.630  -1.910   8.213
  220    HB1  ALA  31           HB1      ALA  31  -8.334  -2.239  10.552
  221    HB2  ALA  31           HB2      ALA  31  -7.709  -3.887  10.488
  222    HB3  ALA  31           HB3      ALA  31  -6.608  -2.520  10.318
  223    H    ASN  32           H        ASN  32  -7.715  -5.431   8.796
  224    HA   ASN  32           HA       ASN  32  -5.095  -5.809   7.695
  225    HB2  ASN  32           HB2      ASN  32  -7.225  -7.858   8.351
  226    HB3  ASN  32           HB3      ASN  32  -5.527  -8.198   8.032
  227   HD21  ASN  32          HD21      ASN  32  -7.687  -7.997  10.409
  228   HD22  ASN  32          HD22      ASN  32  -6.674  -7.514  11.723
  229    H    CYS  33           H        CYS  33  -8.168  -5.426   6.364
  230    HA   CYS  33           HA       CYS  33  -7.185  -6.344   3.762
  231    HB2  CYS  33           HB2      CYS  33 -10.034  -6.896   4.528
  232    HB3  CYS  33           HB3      CYS  33  -9.062  -7.640   3.262
  233    H    LYS  34           H        LYS  34  -6.964  -3.838   4.073
  234    HA   LYS  34           HA       LYS  34  -9.212  -2.176   3.897
  235    HB2  LYS  34           HB2      LYS  34  -6.529  -1.617   2.633
  236    HB3  LYS  34           HB3      LYS  34  -7.708  -0.445   3.207
  237    HG2  LYS  34           HG2      LYS  34  -7.225  -1.873   5.469
  238    HG3  LYS  34           HG3      LYS  34  -5.651  -1.924   4.672
  239    HD2  LYS  34           HD2      LYS  34  -6.833   0.718   4.545
  240    HD3  LYS  34           HD3      LYS  34  -6.676   0.153   6.210
  241    HE2  LYS  34           HE2      LYS  34  -4.405   0.143   6.136
  242    HE3  LYS  34           HE3      LYS  34  -4.355  -0.277   4.424
  243    HZ1  LYS  34           HZ1      LYS  34  -5.432   2.343   4.987
  244    HZ2  LYS  34           HZ2      LYS  34  -4.303   1.863   3.822
  245    HZ3  LYS  34           HZ3      LYS  34  -3.805   2.156   5.412
  246    H    LYS  35           H        LYS  35  -7.808  -4.280   1.598
  247    HA   LYS  35           HA       LYS  35  -9.028  -2.912  -0.673
  248    HB2  LYS  35           HB2      LYS  35  -6.794  -3.784  -1.018
  249    HB3  LYS  35           HB3      LYS  35  -7.302  -5.387  -0.503
  250    HG2  LYS  35           HG2      LYS  35  -9.020  -4.718  -2.594
  251    HG3  LYS  35           HG3      LYS  35  -7.421  -4.174  -3.108
  252    HD2  LYS  35           HD2      LYS  35  -6.696  -6.270  -3.397
  253    HD3  LYS  35           HD3      LYS  35  -7.365  -6.799  -1.852
  254    HE2  LYS  35           HE2      LYS  35  -9.170  -7.684  -2.825
  255    HE3  LYS  35           HE3      LYS  35  -9.420  -6.264  -3.839
  256    HZ1  LYS  35           HZ1      LYS  35  -7.973  -8.728  -4.418
  257    HZ2  LYS  35           HZ2      LYS  35  -7.327  -7.300  -5.053
  258    HZ3  LYS  35           HZ3      LYS  35  -8.909  -7.757  -5.439
  259    H    THR  36           H        THR  36  -9.070  -6.187   0.739
  260    HA   THR  36           HA       THR  36 -11.119  -7.275  -0.748
  261    HB   THR  36           HB       THR  36 -10.695  -7.796   2.199
  262    HG1  THR  36           HG1      THR  36  -9.356  -8.836  -0.092
  263   HG21  THR  36          HG21      THR  36 -11.642  -9.945   1.785
  264   HG22  THR  36          HG22      THR  36 -11.647  -9.676   0.042
  265   HG23  THR  36          HG23      THR  36 -12.737  -8.757   1.080
  266    H    CYS  37           H        CYS  37 -11.294  -4.961   1.845
  267    HA   CYS  37           HA       CYS  37 -14.180  -5.240   2.097
  268    HB2  CYS  37           HB2      CYS  37 -12.168  -3.469   3.491
  269    HB3  CYS  37           HB3      CYS  37 -13.902  -3.381   3.784
  270    H    GLY  38           H        GLY  38 -11.818  -3.155   0.606
  271    HA2  GLY  38           HA2      GLY  38 -12.282  -1.758  -1.236
  272    HA3  GLY  38           HA3      GLY  38 -13.981  -1.768  -0.786
  273    H    LEU  39           H        LEU  39 -10.812  -0.483   0.106
  274    HA   LEU  39           HA       LEU  39 -12.171   1.910   1.135
  275    HB2  LEU  39           HB2      LEU  39  -9.877   0.443   2.422
  276    HB3  LEU  39           HB3      LEU  39 -10.392   2.064   2.883
  277    HG   LEU  39           HG       LEU  39 -12.431  -0.093   2.955
  278   HD11  LEU  39          HD11      LEU  39  -9.929  -0.357   4.291
  279   HD12  LEU  39          HD12      LEU  39 -11.348  -1.401   4.376
  280   HD13  LEU  39          HD13      LEU  39 -11.185  -0.042   5.488
  281   HD21  LEU  39          HD21      LEU  39 -12.846   2.325   3.499
  282   HD22  LEU  39          HD22      LEU  39 -11.803   2.115   4.905
  283   HD23  LEU  39          HD23      LEU  39 -13.294   1.182   4.765
  284    H    CYS  40           H        CYS  40 -10.304   0.786  -1.204
  285    HA   CYS  40           HA       CYS  40  -8.068   2.540  -1.200
  286    HB2  CYS  40           HB2      CYS  40  -9.334   1.290  -3.638
  287    HB3  CYS  40           HB3      CYS  40  -7.654   1.770  -3.420
  Start of MODEL   10
    1    H1   ALA   1           H        ALA   1  -1.149   5.995   1.629
    2    HA   ALA   1           HA       ALA   1  -2.803   4.782   3.635
    3    HB1  ALA   1           HB1      ALA   1  -4.009   6.509   1.534
    4    HB2  ALA   1           HB2      ALA   1  -4.852   5.030   1.996
    5    HB3  ALA   1           HB3      ALA   1  -4.497   6.258   3.211
    6    H    ALA   2           H        ALA   2  -1.288   3.109   2.984
    7    HA   ALA   2           HA       ALA   2  -1.090   2.047   0.408
    8    HB1  ALA   2           HB1      ALA   2  -0.835  -0.085   2.245
    9    HB2  ALA   2           HB2      ALA   2   0.445   0.841   1.459
   10    HB3  ALA   2           HB3      ALA   2  -0.187   1.360   3.022
   11    H    CYS   3           H        CYS   3  -2.704   1.328  -0.810
   12    HA   CYS   3           HA       CYS   3  -5.026   0.072   0.447
   13    HB2  CYS   3           HB2      CYS   3  -5.783   1.659  -1.072
   14    HB3  CYS   3           HB3      CYS   3  -4.500   1.314  -2.227
   15    H    SER   4           H        SER   4  -4.678  -2.031   0.842
   16    HA   SER   4           HA       SER   4  -4.651  -3.926  -1.198
   17    HB2  SER   4           HB2      SER   4  -1.967  -3.060  -0.260
   18    HB3  SER   4           HB3      SER   4  -2.218  -4.794  -0.465
   19    HG   SER   4           HG       SER   4  -1.609  -4.153  -2.438
   20    H    ASP   5           H        ASP   5  -3.706  -6.151  -0.194
   21    HA   ASP   5           HA       ASP   5  -5.055  -6.381   2.399
   22    HB2  ASP   5           HB2      ASP   5  -4.175  -8.691   0.680
   23    HB3  ASP   5           HB3      ASP   5  -5.441  -8.653   1.904
   24    H    ARG   6           H        ARG   6  -4.027  -7.012   4.214
   25    HA   ARG   6           HA       ARG   6  -1.161  -7.656   3.982
   26    HB2  ARG   6           HB2      ARG   6  -1.218  -6.734   6.457
   27    HB3  ARG   6           HB3      ARG   6  -1.070  -5.645   5.083
   28    HG2  ARG   6           HG2      ARG   6  -3.793  -6.299   6.074
   29    HG3  ARG   6           HG3      ARG   6  -2.790  -5.197   7.020
   30    HD2  ARG   6           HD2      ARG   6  -3.269  -4.843   4.072
   31    HD3  ARG   6           HD3      ARG   6  -4.322  -4.140   5.299
   32    HE   ARG   6           HE       ARG   6  -1.785  -3.166   4.481
   33   HH11  ARG   6          HH11      ARG   6  -3.845  -3.519   7.266
   34   HH12  ARG   6          HH12      ARG   6  -3.170  -2.159   8.100
   35   HH21  ARG   6          HH21      ARG   6  -0.888  -1.374   5.570
   36   HH22  ARG   6          HH22      ARG   6  -1.488  -0.939   7.134
   37    H    ALA   7           H        ALA   7  -4.225  -8.478   5.391
   38    HA   ALA   7           HA       ALA   7  -3.508 -10.158   7.465
   39    HB1  ALA   7           HB1      ALA   7  -5.674 -10.803   7.494
   40    HB2  ALA   7           HB2      ALA   7  -5.852  -9.449   6.378
   41    HB3  ALA   7           HB3      ALA   7  -5.727 -11.094   5.755
   42    H    HIS   8           H        HIS   8  -3.944 -12.645   7.346
   43    HA   HIS   8           HA       HIS   8  -1.813 -13.858   6.074
   44    HB2  HIS   8           HB2      HIS   8  -4.330 -14.835   7.321
   45    HB3  HIS   8           HB3      HIS   8  -3.437 -15.972   6.315
   46    HD1  HIS   8           HD1      HIS   8  -0.678 -15.896   7.032
   47    HD2  HIS   8           HD2      HIS   8  -3.563 -15.027   9.893
   48    HE1  HIS   8           HE1      HIS   8   0.448 -16.252   9.252
   49    H    GLY   9           H        GLY   9  -4.946 -13.054   4.819
   50    HA2  GLY   9           HA2      GLY   9  -5.016 -12.809   2.362
   51    HA3  GLY   9           HA3      GLY   9  -4.206 -14.366   2.275
   52    H    HIS  10           H        HIS  10  -5.529 -16.045   3.777
   53    HA   HIS  10           HA       HIS  10  -8.014 -16.385   2.395
   54    HB2  HIS  10           HB2      HIS  10  -6.610 -17.961   4.548
   55    HB3  HIS  10           HB3      HIS  10  -8.199 -18.414   3.939
   56    HD1  HIS  10           HD1      HIS  10  -4.594 -18.226   2.922
   57    HD2  HIS  10           HD2      HIS  10  -8.217 -19.604   1.424
   58    HE1  HIS  10           HE1      HIS  10  -4.007 -19.604   0.902
   59    H    ILE  11           H        ILE  11  -7.061 -14.940   5.349
   60    HA   ILE  11           HA       ILE  11  -9.426 -15.288   6.853
   61    HB   ILE  11           HB       ILE  11  -7.414 -13.039   6.981
   62   HG12  ILE  11          HG12      ILE  11  -7.003 -15.708   7.500
   63   HG13  ILE  11          HG13      ILE  11  -6.066 -14.385   8.184
   64   HG21  ILE  11          HG21      ILE  11  -8.276 -12.787   9.315
   65   HG22  ILE  11          HG22      ILE  11  -9.423 -12.333   8.055
   66   HG23  ILE  11          HG23      ILE  11  -9.591 -13.881   8.884
   67   HD11  ILE  11          HD11      ILE  11  -6.879 -16.074   9.828
   68   HD12  ILE  11          HD12      ILE  11  -7.350 -14.411  10.182
   69   HD13  ILE  11          HD13      ILE  11  -8.521 -15.529   9.484
   70    H    CYS  12           H        CYS  12  -8.343 -12.667   4.711
   71    HA   CYS  12           HA       CYS  12 -10.497 -10.940   5.052
   72    HB2  CYS  12           HB2      CYS  12  -9.003 -11.383   2.462
   73    HB3  CYS  12           HB3      CYS  12  -9.841  -9.920   2.970
   74    H    GLU  13           H        GLU  13 -10.067 -13.514   2.631
   75    HA   GLU  13           HA       GLU  13 -12.633 -13.157   1.461
   76    HB2  GLU  13           HB2      GLU  13 -10.440 -15.151   1.252
   77    HB3  GLU  13           HB3      GLU  13 -12.039 -15.665   0.734
   78    HG2  GLU  13           HG2      GLU  13 -11.669 -13.154  -0.418
   79    HG3  GLU  13           HG3      GLU  13 -10.129 -13.990  -0.607
   80    H    SER  14           H        SER  14 -11.348 -15.344   3.922
   81    HA   SER  14           HA       SER  14 -13.534 -17.034   4.215
   82    HB2  SER  14           HB2      SER  14 -11.336 -17.392   5.302
   83    HB3  SER  14           HB3      SER  14 -11.682 -16.060   6.405
   84    HG   SER  14           HG       SER  14 -12.179 -18.331   7.091
   85    H    PHE  15           H        PHE  15 -12.947 -13.833   5.554
   86    HA   PHE  15           HA       PHE  15 -15.739 -13.791   6.486
   87    HB2  PHE  15           HB2      PHE  15 -13.379 -12.495   7.868
   88    HB3  PHE  15           HB3      PHE  15 -15.059 -12.400   8.387
   89    HD1  PHE  15           HD1      PHE  15 -16.150 -14.288   9.430
   90    HD2  PHE  15           HD2      PHE  15 -12.088 -14.512   8.177
   91    HE1  PHE  15           HE1      PHE  15 -15.852 -16.327  10.774
   92    HE2  PHE  15           HE2      PHE  15 -11.784 -16.552   9.518
   93    HZ   PHE  15           HZ       PHE  15 -13.667 -17.463  10.818
   94    H    LYS  16           H        LYS  16 -14.966 -12.953   3.958
   95    HA   LYS  16           HA       LYS  16 -14.419 -10.164   3.846
   96    HB2  LYS  16           HB2      LYS  16 -15.119 -10.380   1.459
   97    HB3  LYS  16           HB3      LYS  16 -13.882 -11.532   1.946
   98    HG2  LYS  16           HG2      LYS  16 -15.154 -13.232   1.328
   99    HG3  LYS  16           HG3      LYS  16 -16.474 -12.675   2.358
  100    HD2  LYS  16           HD2      LYS  16 -16.031 -11.240  -0.203
  101    HD3  LYS  16           HD3      LYS  16 -16.713 -12.866  -0.286
  102    HE2  LYS  16           HE2      LYS  16 -18.205 -11.787   1.699
  103    HE3  LYS  16           HE3      LYS  16 -17.891 -10.360   0.712
  104    HZ1  LYS  16           HZ1      LYS  16 -18.979 -12.904  -0.361
  105    HZ2  LYS  16           HZ2      LYS  16 -18.840 -11.429  -1.177
  106    HZ3  LYS  16           HZ3      LYS  16 -19.937 -11.588   0.100
  107    H    SER  17           H        SER  17 -17.335 -12.075   4.052
  108    HA   SER  17           HA       SER  17 -19.128  -9.965   3.350
  109    HB2  SER  17           HB2      SER  17 -19.854 -12.251   3.067
  110    HB3  SER  17           HB3      SER  17 -19.578 -12.597   4.774
  111    HG   SER  17           HG       SER  17 -21.763 -12.205   4.443
  112    H    PHE  18           H        PHE  18 -17.346 -10.711   6.141
  113    HA   PHE  18           HA       PHE  18 -19.173  -9.301   7.929
  114    HB2  PHE  18           HB2      PHE  18 -16.520 -10.625   8.535
  115    HB3  PHE  18           HB3      PHE  18 -17.661  -9.997   9.719
  116    HD1  PHE  18           HD2      PHE  18 -17.193 -12.576   7.112
  117    HD2  PHE  18           HD1      PHE  18 -19.459 -11.299  10.480
  118    HE1  PHE  18           HE2      PHE  18 -18.314 -14.764   7.182
  119    HE2  PHE  18           HE1      PHE  18 -20.584 -13.486  10.557
  120    HZ   PHE  18           HZ       PHE  18 -20.013 -15.222   8.906
  121    H    CYS  19           H        CYS  19 -17.296  -8.202   5.692
  122    HA   CYS  19           HA       CYS  19 -15.442  -6.506   7.027
  123    HB2  CYS  19           HB2      CYS  19 -16.501  -6.744   4.246
  124    HB3  CYS  19           HB3      CYS  19 -15.677  -5.256   4.699
  125    H    LYS  20           H        LYS  20 -18.816  -6.315   6.361
  126    HA   LYS  20           HA       LYS  20 -18.880  -3.443   6.936
  127    HB2  LYS  20           HB2      LYS  20 -21.258  -3.583   6.272
  128    HB3  LYS  20           HB3      LYS  20 -20.171  -4.138   5.006
  129    HG2  LYS  20           HG2      LYS  20 -20.722  -6.456   6.341
  130    HG3  LYS  20           HG3      LYS  20 -22.248  -5.577   6.465
  131    HD2  LYS  20           HD2      LYS  20 -20.811  -5.797   3.844
  132    HD3  LYS  20           HD3      LYS  20 -21.850  -7.103   4.417
  133    HE2  LYS  20           HE2      LYS  20 -23.730  -5.575   4.560
  134    HE3  LYS  20           HE3      LYS  20 -22.700  -4.228   4.079
  135    HZ1  LYS  20           HZ1      LYS  20 -23.755  -4.836   2.127
  136    HZ2  LYS  20           HZ2      LYS  20 -23.655  -6.493   2.449
  137    HZ3  LYS  20           HZ3      LYS  20 -22.269  -5.634   1.999
  138    H    ASP  21           H        ASP  21 -18.445  -5.793   8.858
  139    HA   ASP  21           HA       ASP  21 -20.742  -5.692  10.595
  140    HB2  ASP  21           HB2      ASP  21 -18.057  -7.023  10.704
  141    HB3  ASP  21           HB3      ASP  21 -19.044  -6.919  12.159
  142    H    SER  22           H        SER  22 -20.963  -4.599  12.503
  143    HA   SER  22           HA       SER  22 -19.331  -2.247  12.822
  144    HB2  SER  22           HB2      SER  22 -20.946  -2.100  14.944
  145    HB3  SER  22           HB3      SER  22 -21.500  -1.689  13.321
  146    HG   SER  22           HG       SER  22 -22.731  -3.292  14.747
  147    H    GLY  23           H        GLY  23 -19.377  -5.418  14.103
  148    HA2  GLY  23           HA2      GLY  23 -18.166  -4.827  16.633
  149    HA3  GLY  23           HA3      GLY  23 -18.302  -6.413  15.887
  150    H    ARG  24           H        ARG  24 -16.051  -6.139  17.135
  151    HA   ARG  24           HA       ARG  24 -13.929  -4.792  15.948
  152    HB2  ARG  24           HB2      ARG  24 -12.472  -6.325  17.128
  153    HB3  ARG  24           HB3      ARG  24 -13.833  -5.902  18.157
  154    HG2  ARG  24           HG2      ARG  24 -14.832  -8.116  17.080
  155    HG3  ARG  24           HG3      ARG  24 -13.115  -8.493  16.924
  156    HD2  ARG  24           HD2      ARG  24 -13.262  -7.528  19.476
  157    HD3  ARG  24           HD3      ARG  24 -14.809  -8.357  19.307
  158    HE   ARG  24           HE       ARG  24 -12.991 -10.147  18.360
  159   HH11  ARG  24          HH11      ARG  24 -13.346  -8.364  21.329
  160   HH12  ARG  24          HH12      ARG  24 -12.582  -9.577  22.302
  161   HH21  ARG  24          HH21      ARG  24 -11.983 -11.752  19.630
  162   HH22  ARG  24          HH22      ARG  24 -11.806 -11.503  21.334
  163    H    ASN  25           H        ASN  25 -15.372  -7.900  15.158
  164    HA   ASN  25           HA       ASN  25 -13.453  -8.955  13.468
  165    HB2  ASN  25           HB2      ASN  25 -16.409  -9.209  13.695
  166    HB3  ASN  25           HB3      ASN  25 -15.662  -9.805  12.215
  167   HD21  ASN  25          HD21      ASN  25 -15.323  -9.959  15.736
  168   HD22  ASN  25          HD22      ASN  25 -14.824 -11.613  15.788
  169    H    GLY  26           H        GLY  26 -16.052  -6.658  12.705
  170    HA2  GLY  26           HA2      GLY  26 -15.471  -6.490   9.933
  171    HA3  GLY  26           HA3      GLY  26 -16.413  -5.333  10.862
  172    H    VAL  27           H        VAL  27 -14.619  -4.358  12.654
  173    HA   VAL  27           HA       VAL  27 -13.222  -2.440  11.182
  174    HB   VAL  27           HB       VAL  27 -12.560  -3.294  14.001
  175   HG11  VAL  27          HG11      VAL  27 -11.907  -0.957  12.296
  176   HG12  VAL  27          HG12      VAL  27 -12.227  -0.657  14.006
  177   HG13  VAL  27          HG13      VAL  27 -10.941  -1.766  13.529
  178   HG21  VAL  27          HG21      VAL  27 -14.880  -1.812  12.892
  179   HG22  VAL  27          HG22      VAL  27 -14.783  -2.881  14.292
  180   HG23  VAL  27          HG23      VAL  27 -14.180  -1.227  14.402
  181    H    LYS  28           H        LYS  28 -12.033  -5.369  12.806
  182    HA   LYS  28           HA       LYS  28  -9.317  -5.012  12.134
  183    HB2  LYS  28           HB2      LYS  28 -10.894  -7.499  12.807
  184    HB3  LYS  28           HB3      LYS  28  -9.147  -7.480  12.605
  185    HG2  LYS  28           HG2      LYS  28  -8.791  -6.358  14.562
  186    HG3  LYS  28           HG3      LYS  28 -10.367  -5.564  14.523
  187    HD2  LYS  28           HD2      LYS  28 -10.448  -7.151  16.286
  188    HD3  LYS  28           HD3      LYS  28 -11.390  -7.828  14.955
  189    HE2  LYS  28           HE2      LYS  28  -9.572  -9.270  14.332
  190    HE3  LYS  28           HE3      LYS  28  -8.504  -8.502  15.505
  191    HZ1  LYS  28           HZ1      LYS  28 -10.978  -9.967  16.238
  192    HZ2  LYS  28           HZ2      LYS  28  -9.785  -9.387  17.288
  193    HZ3  LYS  28           HZ3      LYS  28  -9.436 -10.664  16.235
  194    H    LEU  29           H        LEU  29 -12.032  -6.230  10.359
  195    HA   LEU  29           HA       LEU  29 -10.541  -7.653   8.384
  196    HB2  LEU  29           HB2      LEU  29 -13.360  -6.731   8.675
  197    HB3  LEU  29           HB3      LEU  29 -12.790  -7.246   7.089
  198    HG   LEU  29           HG       LEU  29 -12.590  -8.994   9.530
  199   HD11  LEU  29          HD11      LEU  29 -14.941  -8.392   9.149
  200   HD12  LEU  29          HD12      LEU  29 -14.625 -10.093   8.809
  201   HD13  LEU  29          HD13      LEU  29 -14.801  -8.946   7.480
  202   HD21  LEU  29          HD21      LEU  29 -12.152 -10.736   8.033
  203   HD22  LEU  29          HD22      LEU  29 -11.200  -9.384   7.418
  204   HD23  LEU  29          HD23      LEU  29 -12.728  -9.811   6.646
  205    H    ARG  30           H        ARG  30 -12.069  -4.447   8.485
  206    HA   ARG  30           HA       ARG  30 -11.291  -3.686   5.873
  207    HB2  ARG  30           HB2      ARG  30 -12.032  -2.014   8.279
  208    HB3  ARG  30           HB3      ARG  30 -11.813  -1.372   6.656
  209    HG2  ARG  30           HG2      ARG  30 -13.596  -3.382   6.215
  210    HG3  ARG  30           HG3      ARG  30 -14.069  -2.820   7.820
  211    HD2  ARG  30           HD2      ARG  30 -13.525  -0.594   6.073
  212    HD3  ARG  30           HD3      ARG  30 -14.719  -1.673   5.354
  213    HE   ARG  30           HE       ARG  30 -15.226  -1.008   8.112
  214   HH11  ARG  30          HH11      ARG  30 -15.724  -0.103   4.787
  215   HH12  ARG  30          HH12      ARG  30 -17.153   0.820   5.116
  216   HH21  ARG  30          HH21      ARG  30 -17.107   0.204   8.558
  217   HH22  ARG  30          HH22      ARG  30 -17.938   0.994   7.261
  218    H    ALA  31           H        ALA  31  -9.556  -3.965   8.786
  219    HA   ALA  31           HA       ALA  31  -7.520  -2.023   8.050
  220    HB1  ALA  31           HB1      ALA  31  -7.501  -3.948  10.368
  221    HB2  ALA  31           HB2      ALA  31  -6.507  -2.505  10.161
  222    HB3  ALA  31           HB3      ALA  31  -8.245  -2.350  10.416
  223    H    ASN  32           H        ASN  32  -7.609  -5.525   8.737
  224    HA   ASN  32           HA       ASN  32  -5.009  -5.936   7.589
  225    HB2  ASN  32           HB2      ASN  32  -7.109  -7.952   8.417
  226    HB3  ASN  32           HB3      ASN  32  -5.430  -8.317   8.030
  227   HD21  ASN  32          HD21      ASN  32  -7.433  -8.083  10.505
  228   HD22  ASN  32          HD22      ASN  32  -6.368  -7.519  11.743
  229    H    CYS  33           H        CYS  33  -8.068  -5.533   6.301
  230    HA   CYS  33           HA       CYS  33  -7.182  -6.629   3.736
  231    HB2  CYS  33           HB2      CYS  33 -10.019  -7.055   4.639
  232    HB3  CYS  33           HB3      CYS  33  -9.147  -7.851   3.332
  233    H    LYS  34           H        LYS  34  -6.892  -4.099   3.973
  234    HA   LYS  34           HA       LYS  34  -9.113  -2.406   3.710
  235    HB2  LYS  34           HB2      LYS  34  -6.411  -1.917   2.460
  236    HB3  LYS  34           HB3      LYS  34  -7.575  -0.720   3.013
  237    HG2  LYS  34           HG2      LYS  34  -7.096  -2.155   5.291
  238    HG3  LYS  34           HG3      LYS  34  -5.521  -2.166   4.494
  239    HD2  LYS  34           HD2      LYS  34  -6.795   0.445   4.398
  240    HD3  LYS  34           HD3      LYS  34  -6.558  -0.128   6.050
  241    HE2  LYS  34           HE2      LYS  34  -4.310   0.015   5.914
  242    HE3  LYS  34           HE3      LYS  34  -4.274  -0.512   4.232
  243    HZ1  LYS  34           HZ1      LYS  34  -3.784   1.614   3.819
  244    HZ2  LYS  34           HZ2      LYS  34  -4.339   2.155   5.322
  245    HZ3  LYS  34           HZ3      LYS  34  -5.433   1.911   4.054
  246    H    LYS  35           H        LYS  35  -7.707  -4.612   1.512
  247    HA   LYS  35           HA       LYS  35  -8.845  -3.302  -0.833
  248    HB2  LYS  35           HB2      LYS  35  -6.556  -4.454  -0.785
  249    HB3  LYS  35           HB3      LYS  35  -7.447  -5.970  -0.777
  250    HG2  LYS  35           HG2      LYS  35  -6.850  -5.538  -3.020
  251    HG3  LYS  35           HG3      LYS  35  -8.577  -5.200  -2.883
  252    HD2  LYS  35           HD2      LYS  35  -7.334  -2.783  -2.283
  253    HD3  LYS  35           HD3      LYS  35  -6.402  -3.442  -3.629
  254    HE2  LYS  35           HE2      LYS  35  -8.924  -3.928  -4.478
  255    HE3  LYS  35           HE3      LYS  35  -9.178  -2.459  -3.538
  256    HZ1  LYS  35           HZ1      LYS  35  -7.645  -1.286  -4.867
  257    HZ2  LYS  35           HZ2      LYS  35  -8.634  -2.130  -5.948
  258    HZ3  LYS  35           HZ3      LYS  35  -7.075  -2.693  -5.612
  259    H    THR  36           H        THR  36  -9.014  -6.530   0.679
  260    HA   THR  36           HA       THR  36 -11.055  -7.620  -0.796
  261    HB   THR  36           HB       THR  36 -10.709  -7.981   2.187
  262    HG1  THR  36           HG1      THR  36  -9.257  -8.891  -0.024
  263   HG21  THR  36          HG21      THR  36 -11.820 -10.053   1.939
  264   HG22  THR  36          HG22      THR  36 -11.737  -9.975   0.179
  265   HG23  THR  36          HG23      THR  36 -12.804  -8.883   1.061
  266    H    CYS  37           H        CYS  37 -11.367  -5.625   2.133
  267    HA   CYS  37           HA       CYS  37 -14.209  -5.664   2.147
  268    HB2  CYS  37           HB2      CYS  37 -12.250  -3.771   3.460
  269    HB3  CYS  37           HB3      CYS  37 -13.981  -3.796   3.781
  270    H    GLY  38           H        GLY  38 -11.816  -3.689   0.569
  271    HA2  GLY  38           HA2      GLY  38 -12.139  -2.269  -1.243
  272    HA3  GLY  38           HA3      GLY  38 -13.875  -2.447  -1.037
  273    H    LEU  39           H        LEU  39 -11.014  -0.744   0.082
  274    HA   LEU  39           HA       LEU  39 -12.778   1.378   1.111
  275    HB2  LEU  39           HB2      LEU  39 -10.153   0.413   2.228
  276    HB3  LEU  39           HB3      LEU  39 -10.943   1.907   2.728
  277    HG   LEU  39           HG       LEU  39 -12.543  -0.575   2.937
  278   HD11  LEU  39          HD11      LEU  39  -9.943  -0.613   3.909
  279   HD12  LEU  39          HD12      LEU  39 -11.268  -1.673   4.387
  280   HD13  LEU  39          HD13      LEU  39 -10.936  -0.206   5.309
  281   HD21  LEU  39          HD21      LEU  39 -12.916   1.990   3.687
  282   HD22  LEU  39          HD22      LEU  39 -12.237   1.320   5.170
  283   HD23  LEU  39          HD23      LEU  39 -13.692   0.612   4.467
  284    H    CYS  40           H        CYS  40 -10.628   0.558  -1.229
  285    HA   CYS  40           HA       CYS  40  -9.021   2.912  -1.364
  286    HB2  CYS  40           HB2      CYS  40  -9.663   1.100  -3.685
  287    HB3  CYS  40           HB3      CYS  40  -8.212   2.062  -3.423
  Start of MODEL   11
    1    H1   ALA   1           H        ALA   1  -0.479   5.703   4.074
    2    HA   ALA   1           HA       ALA   1   0.819   3.252   3.105
    3    HB1  ALA   1           HB1      ALA   1   0.137   2.329   5.000
    4    HB2  ALA   1           HB2      ALA   1  -0.585   3.865   5.483
    5    HB3  ALA   1           HB3      ALA   1  -1.541   2.683   4.588
    6    H    ALA   2           H        ALA   2   0.112   2.341   1.297
    7    HA   ALA   2           HA       ALA   2  -2.153   3.363  -0.109
    8    HB1  ALA   2           HB1      ALA   2  -0.396   2.664  -1.479
    9    HB2  ALA   2           HB2      ALA   2  -0.222   1.128  -0.628
   10    HB3  ALA   2           HB3      ALA   2  -1.618   1.405  -1.670
   11    H    CYS   3           H        CYS   3  -3.630   1.553  -1.175
   12    HA   CYS   3           HA       CYS   3  -4.894   0.167   1.082
   13    HB2  CYS   3           HB2      CYS   3  -6.398   1.671  -0.010
   14    HB3  CYS   3           HB3      CYS   3  -5.953   1.060  -1.601
   15    H    SER   4           H        SER   4  -4.866  -1.978   1.222
   16    HA   SER   4           HA       SER   4  -5.038  -3.752  -0.954
   17    HB2  SER   4           HB2      SER   4  -2.686  -2.907  -1.289
   18    HB3  SER   4           HB3      SER   4  -2.270  -3.639   0.261
   19    HG   SER   4           HG       SER   4  -1.899  -5.323  -0.956
   20    H    ASP   5           H        ASP   5  -3.969  -6.031  -0.079
   21    HA   ASP   5           HA       ASP   5  -5.285  -6.418   2.515
   22    HB2  ASP   5           HB2      ASP   5  -4.403  -8.691   0.780
   23    HB3  ASP   5           HB3      ASP   5  -5.774  -8.594   1.882
   24    H    ARG   6           H        ARG   6  -4.156  -6.909   4.283
   25    HA   ARG   6           HA       ARG   6  -1.313  -7.610   3.951
   26    HB2  ARG   6           HB2      ARG   6  -1.290  -6.735   6.440
   27    HB3  ARG   6           HB3      ARG   6  -1.200  -5.616   5.086
   28    HG2  ARG   6           HG2      ARG   6  -3.881  -6.310   6.159
   29    HG3  ARG   6           HG3      ARG   6  -2.852  -5.224   7.094
   30    HD2  ARG   6           HD2      ARG   6  -3.403  -4.796   4.171
   31    HD3  ARG   6           HD3      ARG   6  -4.463  -4.162   5.429
   32    HE   ARG   6           HE       ARG   6  -1.965  -3.090   4.618
   33   HH11  ARG   6          HH11      ARG   6  -3.977  -3.594   7.414
   34   HH12  ARG   6          HH12      ARG   6  -3.328  -2.244   8.286
   35   HH21  ARG   6          HH21      ARG   6  -1.103  -1.311   5.755
   36   HH22  ARG   6          HH22      ARG   6  -1.695  -0.946   7.340
   37    H    ALA   7           H        ALA   7  -4.340  -8.507   5.363
   38    HA   ALA   7           HA       ALA   7  -3.588 -10.200   7.415
   39    HB1  ALA   7           HB1      ALA   7  -5.946  -9.526   6.306
   40    HB2  ALA   7           HB2      ALA   7  -5.785 -11.180   5.713
   41    HB3  ALA   7           HB3      ALA   7  -5.745 -10.857   7.447
   42    H    HIS   8           H        HIS   8  -4.019 -12.702   7.232
   43    HA   HIS   8           HA       HIS   8  -1.851 -13.867   5.983
   44    HB2  HIS   8           HB2      HIS   8  -4.398 -14.894   7.126
   45    HB3  HIS   8           HB3      HIS   8  -3.469 -15.995   6.112
   46    HD1  HIS   8           HD1      HIS   8  -1.670 -13.547   8.280
   47    HD2  HIS   8           HD2      HIS   8  -2.764 -17.555   8.337
   48    HE1  HIS   8           HE1      HIS   8  -0.369 -14.572  10.172
   49    H    GLY   9           H        GLY   9  -4.954 -13.050   4.662
   50    HA2  GLY   9           HA2      GLY   9  -4.935 -12.729   2.207
   51    HA3  GLY   9           HA3      GLY   9  -4.138 -14.292   2.107
   52    H    HIS  10           H        HIS  10  -5.506 -16.018   3.469
   53    HA   HIS  10           HA       HIS  10  -7.961 -16.278   2.025
   54    HB2  HIS  10           HB2      HIS  10  -6.729 -17.954   4.218
   55    HB3  HIS  10           HB3      HIS  10  -8.206 -18.387   3.363
   56    HD1  HIS  10           HD1      HIS  10  -4.533 -17.768   2.652
   57    HD2  HIS  10           HD2      HIS  10  -7.809 -19.748   1.036
   58    HE1  HIS  10           HE1      HIS  10  -3.629 -19.095   0.717
   59    H    ILE  11           H        ILE  11  -7.081 -14.904   5.021
   60    HA   ILE  11           HA       ILE  11  -9.465 -15.309   6.482
   61    HB   ILE  11           HB       ILE  11  -7.463 -13.056   6.683
   62   HG12  ILE  11          HG12      ILE  11  -7.035 -15.710   7.164
   63   HG13  ILE  11          HG13      ILE  11  -6.165 -14.400   7.954
   64   HG21  ILE  11          HG21      ILE  11  -9.706 -13.899   8.504
   65   HG22  ILE  11          HG22      ILE  11  -8.385 -12.847   9.010
   66   HG23  ILE  11          HG23      ILE  11  -9.476 -12.336   7.722
   67   HD11  ILE  11          HD11      ILE  11  -7.069 -16.196   9.458
   68   HD12  ILE  11          HD12      ILE  11  -7.520 -14.544   9.881
   69   HD13  ILE  11          HD13      ILE  11  -8.681 -15.595   9.072
   70    H    CYS  12           H        CYS  12  -8.366 -12.598   4.457
   71    HA   CYS  12           HA       CYS  12 -10.558 -10.924   4.786
   72    HB2  CYS  12           HB2      CYS  12  -8.994 -11.259   2.222
   73    HB3  CYS  12           HB3      CYS  12  -9.863  -9.825   2.759
   74    H    GLU  13           H        GLU  13 -10.016 -13.375   2.259
   75    HA   GLU  13           HA       GLU  13 -12.548 -13.032   1.036
   76    HB2  GLU  13           HB2      GLU  13 -10.332 -15.003   0.852
   77    HB3  GLU  13           HB3      GLU  13 -11.909 -15.517   0.268
   78    HG2  GLU  13           HG2      GLU  13 -10.694 -14.654  -1.578
   79    HG3  GLU  13           HG3      GLU  13 -11.959 -13.493  -1.178
   80    H    SER  14           H        SER  14 -11.321 -15.316   3.446
   81    HA   SER  14           HA       SER  14 -13.479 -17.029   3.638
   82    HB2  SER  14           HB2      SER  14 -11.370 -17.402   4.833
   83    HB3  SER  14           HB3      SER  14 -11.712 -16.030   5.887
   84    HG   SER  14           HG       SER  14 -13.500 -18.204   5.664
   85    H    PHE  15           H        PHE  15 -12.993 -13.900   5.221
   86    HA   PHE  15           HA       PHE  15 -15.857 -13.901   5.909
   87    HB2  PHE  15           HB2      PHE  15 -13.656 -12.600   7.524
   88    HB3  PHE  15           HB3      PHE  15 -15.365 -12.675   7.941
   89    HD1  PHE  15           HD2      PHE  15 -12.235 -14.560   7.722
   90    HD2  PHE  15           HD1      PHE  15 -16.342 -14.682   8.832
   91    HE1  PHE  15           HE2      PHE  15 -11.841 -16.664   8.934
   92    HE2  PHE  15           HE1      PHE  15 -15.955 -16.786  10.047
   93    HZ   PHE  15           HZ       PHE  15 -13.703 -17.781  10.098
   94    H    LYS  16           H        LYS  16 -15.029 -12.940   3.492
   95    HA   LYS  16           HA       LYS  16 -14.408 -10.167   3.512
   96    HB2  LYS  16           HB2      LYS  16 -15.118 -10.263   1.107
   97    HB3  LYS  16           HB3      LYS  16 -13.883 -11.434   1.552
   98    HG2  LYS  16           HG2      LYS  16 -15.157 -13.113   0.877
   99    HG3  LYS  16           HG3      LYS  16 -16.490 -12.578   1.903
  100    HD2  LYS  16           HD2      LYS  16 -15.996 -11.068  -0.605
  101    HD3  LYS  16           HD3      LYS  16 -16.684 -12.687  -0.751
  102    HE2  LYS  16           HE2      LYS  16 -18.320 -11.853   1.099
  103    HE3  LYS  16           HE3      LYS  16 -17.818 -10.251   0.561
  104    HZ1  LYS  16           HZ1      LYS  16 -19.186 -12.354  -1.009
  105    HZ2  LYS  16           HZ2      LYS  16 -18.425 -11.034  -1.743
  106    HZ3  LYS  16           HZ3      LYS  16 -19.717 -10.782  -0.681
  107    H    SER  17           H        SER  17 -17.393 -12.000   3.528
  108    HA   SER  17           HA       SER  17 -19.089  -9.765   2.966
  109    HB2  SER  17           HB2      SER  17 -19.655 -12.217   2.580
  110    HB3  SER  17           HB3      SER  17 -19.913 -12.336   4.321
  111    HG   SER  17           HG       SER  17 -21.853 -11.885   3.196
  112    H    PHE  18           H        PHE  18 -17.388 -10.780   5.700
  113    HA   PHE  18           HA       PHE  18 -19.245  -9.585   7.601
  114    HB2  PHE  18           HB2      PHE  18 -16.552 -10.894   8.039
  115    HB3  PHE  18           HB3      PHE  18 -17.638 -10.348   9.312
  116    HD1  PHE  18           HD2      PHE  18 -17.361 -12.710   6.470
  117    HD2  PHE  18           HD1      PHE  18 -19.332 -11.736  10.115
  118    HE1  PHE  18           HE2      PHE  18 -18.481 -14.900   6.445
  119    HE2  PHE  18           HE1      PHE  18 -20.455 -13.926  10.096
  120    HZ   PHE  18           HZ       PHE  18 -20.031 -15.510   8.259
  121    H    CYS  19           H        CYS  19 -17.270  -8.293   5.477
  122    HA   CYS  19           HA       CYS  19 -15.523  -6.635   6.940
  123    HB2  CYS  19           HB2      CYS  19 -16.648  -6.607   4.172
  124    HB3  CYS  19           HB3      CYS  19 -15.836  -5.162   4.765
  125    H    LYS  20           H        LYS  20 -18.915  -6.443   6.265
  126    HA   LYS  20           HA       LYS  20 -19.060  -3.662   7.147
  127    HB2  LYS  20           HB2      LYS  20 -21.465  -3.853   6.560
  128    HB3  LYS  20           HB3      LYS  20 -20.396  -4.214   5.211
  129    HG2  LYS  20           HG2      LYS  20 -20.811  -6.679   6.374
  130    HG3  LYS  20           HG3      LYS  20 -22.380  -5.882   6.513
  131    HD2  LYS  20           HD2      LYS  20 -22.330  -7.053   4.428
  132    HD3  LYS  20           HD3      LYS  20 -22.225  -5.325   4.081
  133    HE2  LYS  20           HE2      LYS  20 -19.633  -6.637   4.444
  134    HE3  LYS  20           HE3      LYS  20 -20.561  -7.246   3.074
  135    HZ1  LYS  20           HZ1      LYS  20 -19.687  -5.509   2.004
  136    HZ2  LYS  20           HZ2      LYS  20 -19.261  -4.699   3.426
  137    HZ3  LYS  20           HZ3      LYS  20 -20.837  -4.578   2.825
  138    H    ASP  21           H        ASP  21 -18.444  -6.099   8.867
  139    HA   ASP  21           HA       ASP  21 -20.690  -6.284  10.662
  140    HB2  ASP  21           HB2      ASP  21 -18.926  -8.104  10.162
  141    HB3  ASP  21           HB3      ASP  21 -17.899  -7.219  11.287
  142    H    SER  22           H        SER  22 -20.957  -5.308  12.614
  143    HA   SER  22           HA       SER  22 -19.433  -2.909  13.088
  144    HB2  SER  22           HB2      SER  22 -21.920  -4.122  14.184
  145    HB3  SER  22           HB3      SER  22 -21.053  -2.987  15.217
  146    HG   SER  22           HG       SER  22 -22.685  -2.422  13.235
  147    H    GLY  23           H        GLY  23 -19.374  -6.156  14.191
  148    HA2  GLY  23           HA2      GLY  23 -18.156  -5.658  16.737
  149    HA3  GLY  23           HA3      GLY  23 -18.262  -7.210  15.918
  150    H    ARG  24           H        ARG  24 -16.012  -7.019  17.119
  151    HA   ARG  24           HA       ARG  24 -13.923  -5.542  16.017
  152    HB2  ARG  24           HB2      ARG  24 -13.665  -8.330  17.145
  153    HB3  ARG  24           HB3      ARG  24 -12.434  -7.076  17.104
  154    HG2  ARG  24           HG2      ARG  24 -14.533  -5.908  18.479
  155    HG3  ARG  24           HG3      ARG  24 -14.506  -7.575  19.057
  156    HD2  ARG  24           HD2      ARG  24 -12.047  -7.303  19.449
  157    HD3  ARG  24           HD3      ARG  24 -12.237  -5.592  19.069
  158    HE   ARG  24           HE       ARG  24 -12.909  -6.885  21.518
  159   HH11  ARG  24          HH11      ARG  24 -13.809  -4.281  19.390
  160   HH12  ARG  24          HH12      ARG  24 -14.524  -3.327  20.648
  161   HH21  ARG  24          HH21      ARG  24 -13.847  -5.639  23.182
  162   HH22  ARG  24          HH22      ARG  24 -14.544  -4.100  22.804
  163    H    ASN  25           H        ASN  25 -15.273  -8.656  15.058
  164    HA   ASN  25           HA       ASN  25 -13.370  -9.529  13.264
  165    HB2  ASN  25           HB2      ASN  25 -16.314  -9.878  13.514
  166    HB3  ASN  25           HB3      ASN  25 -15.575 -10.353  11.988
  167   HD21  ASN  25          HD21      ASN  25 -15.501 -10.853  15.463
  168   HD22  ASN  25          HD22      ASN  25 -14.832 -12.445  15.406
  169    H    GLY  26           H        GLY  26 -16.009  -7.223  12.719
  170    HA2  GLY  26           HA2      GLY  26 -15.490  -6.865   9.947
  171    HA3  GLY  26           HA3      GLY  26 -16.443  -5.797  10.967
  172    H    VAL  27           H        VAL  27 -14.588  -4.963  12.812
  173    HA   VAL  27           HA       VAL  27 -13.298  -2.875  11.483
  174    HB   VAL  27           HB       VAL  27 -12.489  -3.988  14.169
  175   HG11  VAL  27          HG11      VAL  27 -11.920  -1.607  14.617
  176   HG12  VAL  27          HG12      VAL  27 -10.938  -2.349  13.353
  177   HG13  VAL  27          HG13      VAL  27 -12.252  -1.255  12.921
  178   HG21  VAL  27          HG21      VAL  27 -14.119  -2.188  14.996
  179   HG22  VAL  27          HG22      VAL  27 -14.808  -2.257  13.375
  180   HG23  VAL  27          HG23      VAL  27 -14.798  -3.698  14.391
  181    H    LYS  28           H        LYS  28 -11.977  -5.921  12.750
  182    HA   LYS  28           HA       LYS  28  -9.302  -5.433  12.002
  183    HB2  LYS  28           HB2      LYS  28 -10.791  -8.020  12.468
  184    HB3  LYS  28           HB3      LYS  28  -9.053  -7.922  12.221
  185    HG2  LYS  28           HG2      LYS  28 -10.563  -6.582  14.455
  186    HG3  LYS  28           HG3      LYS  28  -9.666  -8.096  14.590
  187    HD2  LYS  28           HD2      LYS  28  -7.709  -6.628  13.606
  188    HD3  LYS  28           HD3      LYS  28  -8.663  -5.307  14.284
  189    HE2  LYS  28           HE2      LYS  28  -8.694  -6.999  16.366
  190    HE3  LYS  28           HE3      LYS  28  -7.155  -7.460  15.638
  191    HZ1  LYS  28           HZ1      LYS  28  -6.417  -5.187  15.776
  192    HZ2  LYS  28           HZ2      LYS  28  -6.921  -5.701  17.307
  193    HZ3  LYS  28           HZ3      LYS  28  -7.914  -4.688  16.386
  194    H    LEU  29           H        LEU  29 -12.063  -6.628  10.249
  195    HA   LEU  29           HA       LEU  29 -10.648  -7.786   8.077
  196    HB2  LEU  29           HB2      LEU  29 -13.458  -6.904   8.551
  197    HB3  LEU  29           HB3      LEU  29 -12.941  -7.290   6.911
  198    HG   LEU  29           HG       LEU  29 -12.693  -9.217   9.213
  199   HD11  LEU  29          HD11      LEU  29 -15.052  -8.582   8.844
  200   HD12  LEU  29          HD12      LEU  29 -14.720 -10.268   8.446
  201   HD13  LEU  29          HD13      LEU  29 -14.894  -9.075   7.158
  202   HD21  LEU  29          HD21      LEU  29 -12.253 -10.845   7.585
  203   HD22  LEU  29          HD22      LEU  29 -11.291  -9.451   7.093
  204   HD23  LEU  29          HD23      LEU  29 -12.811  -9.809   6.271
  205    H    ARG  30           H        ARG  30 -12.169  -4.612   8.557
  206    HA   ARG  30           HA       ARG  30 -11.479  -3.604   5.996
  207    HB2  ARG  30           HB2      ARG  30 -12.181  -2.161   8.559
  208    HB3  ARG  30           HB3      ARG  30 -12.035  -1.388   6.986
  209    HG2  ARG  30           HG2      ARG  30 -13.790  -3.405   6.455
  210    HG3  ARG  30           HG3      ARG  30 -14.218  -2.967   8.111
  211    HD2  ARG  30           HD2      ARG  30 -13.778  -0.614   6.506
  212    HD3  ARG  30           HD3      ARG  30 -14.978  -1.665   5.756
  213    HE   ARG  30           HE       ARG  30 -15.395  -1.202   8.570
  214   HH11  ARG  30          HH11      ARG  30 -16.032  -0.083   5.335
  215   HH12  ARG  30          HH12      ARG  30 -17.465   0.784   5.777
  216   HH21  ARG  30          HH21      ARG  30 -17.281  -0.064   9.165
  217   HH22  ARG  30          HH22      ARG  30 -18.174   0.795   7.956
  218    H    ALA  31           H        ALA  31  -9.684  -4.108   8.846
  219    HA   ALA  31           HA       ALA  31  -7.679  -2.093   8.203
  220    HB1  ALA  31           HB1      ALA  31  -7.710  -4.105  10.449
  221    HB2  ALA  31           HB2      ALA  31  -6.617  -2.730  10.280
  222    HB3  ALA  31           HB3      ALA  31  -8.339  -2.460  10.550
  223    H    ASN  32           H        ASN  32  -7.740  -5.622   8.741
  224    HA   ASN  32           HA       ASN  32  -5.141  -5.978   7.588
  225    HB2  ASN  32           HB2      ASN  32  -7.257  -8.040   8.246
  226    HB3  ASN  32           HB3      ASN  32  -5.564  -8.373   7.892
  227   HD21  ASN  32          HD21      ASN  32  -7.681  -8.218  10.310
  228   HD22  ASN  32          HD22      ASN  32  -6.646  -7.753  11.613
  229    H    CYS  33           H        CYS  33  -8.226  -5.562   6.307
  230    HA   CYS  33           HA       CYS  33  -7.285  -6.438   3.677
  231    HB2  CYS  33           HB2      CYS  33 -10.117  -7.023   4.484
  232    HB3  CYS  33           HB3      CYS  33  -9.167  -7.731   3.182
  233    H    LYS  34           H        LYS  34  -7.072  -3.939   4.022
  234    HA   LYS  34           HA       LYS  34  -9.330  -2.284   3.918
  235    HB2  LYS  34           HB2      LYS  34  -6.667  -1.703   2.621
  236    HB3  LYS  34           HB3      LYS  34  -7.845  -0.537   3.209
  237    HG2  LYS  34           HG2      LYS  34  -7.319  -2.010   5.452
  238    HG3  LYS  34           HG3      LYS  34  -5.752  -1.976   4.640
  239    HD2  LYS  34           HD2      LYS  34  -5.452   0.200   5.081
  240    HD3  LYS  34           HD3      LYS  34  -7.112   0.607   4.642
  241    HE2  LYS  34           HE2      LYS  34  -7.686  -0.552   6.911
  242    HE3  LYS  34           HE3      LYS  34  -5.993  -0.231   7.283
  243    HZ1  LYS  34           HZ1      LYS  34  -8.022   1.506   7.663
  244    HZ2  LYS  34           HZ2      LYS  34  -7.393   2.032   6.183
  245    HZ3  LYS  34           HZ3      LYS  34  -6.390   1.937   7.542
  246    H    LYS  35           H        LYS  35  -7.963  -4.343   1.557
  247    HA   LYS  35           HA       LYS  35  -9.233  -2.944  -0.667
  248    HB2  LYS  35           HB2      LYS  35  -7.005  -3.803  -1.070
  249    HB3  LYS  35           HB3      LYS  35  -7.496  -5.416  -0.570
  250    HG2  LYS  35           HG2      LYS  35  -9.259  -4.723  -2.614
  251    HG3  LYS  35           HG3      LYS  35  -7.675  -4.161  -3.153
  252    HD2  LYS  35           HD2      LYS  35  -6.947  -6.246  -3.497
  253    HD3  LYS  35           HD3      LYS  35  -7.569  -6.804  -1.942
  254    HE2  LYS  35           HE2      LYS  35  -8.739  -8.045  -3.561
  255    HE3  LYS  35           HE3      LYS  35  -9.865  -6.795  -3.031
  256    HZ1  LYS  35           HZ1      LYS  35  -9.817  -5.779  -5.028
  257    HZ2  LYS  35           HZ2      LYS  35  -9.380  -7.317  -5.579
  258    HZ3  LYS  35           HZ3      LYS  35  -8.191  -6.143  -5.320
  259    H    THR  36           H        THR  36  -9.235  -6.244   0.687
  260    HA   THR  36           HA       THR  36 -11.309  -7.316  -0.773
  261    HB   THR  36           HB       THR  36 -10.820  -7.875   2.157
  262    HG1  THR  36           HG1      THR  36  -8.877  -8.166   1.111
  263   HG21  THR  36          HG21      THR  36 -11.794 -10.007   1.753
  264   HG22  THR  36          HG22      THR  36 -11.822  -9.738   0.010
  265   HG23  THR  36          HG23      THR  36 -12.894  -8.815   1.062
  266    H    CYS  37           H        CYS  37 -11.445  -5.052   1.869
  267    HA   CYS  37           HA       CYS  37 -14.327  -5.339   2.158
  268    HB2  CYS  37           HB2      CYS  37 -12.299  -3.587   3.555
  269    HB3  CYS  37           HB3      CYS  37 -14.028  -3.518   3.880
  270    H    GLY  38           H        GLY  38 -11.989  -3.219   0.676
  271    HA2  GLY  38           HA2      GLY  38 -12.478  -1.782  -1.127
  272    HA3  GLY  38           HA3      GLY  38 -14.172  -1.811  -0.661
  273    H    LEU  39           H        LEU  39 -11.002  -0.520   0.214
  274    HA   LEU  39           HA       LEU  39 -12.366   1.835   1.321
  275    HB2  LEU  39           HB2      LEU  39 -10.034   0.362   2.529
  276    HB3  LEU  39           HB3      LEU  39 -10.553   1.968   3.036
  277    HG   LEU  39           HG       LEU  39 -12.567  -0.215   3.101
  278   HD11  LEU  39          HD11      LEU  39 -11.456  -1.528   4.496
  279   HD12  LEU  39          HD12      LEU  39 -11.262  -0.176   5.612
  280   HD13  LEU  39          HD13      LEU  39 -10.041  -0.482   4.377
  281   HD21  LEU  39          HD21      LEU  39 -13.421   1.016   4.941
  282   HD22  LEU  39          HD22      LEU  39 -13.002   2.191   3.694
  283   HD23  LEU  39          HD23      LEU  39 -11.940   1.962   5.083
  284    H    CYS  40           H        CYS  40 -10.512   0.771  -1.067
  285    HA   CYS  40           HA       CYS  40  -8.309   2.567  -1.065
  286    HB2  CYS  40           HB2      CYS  40  -9.578   1.319  -3.503
  287    HB3  CYS  40           HB3      CYS  40  -7.906   1.833  -3.299
  Start of MODEL   12
    1    H1   ALA   1           H        ALA   1  -2.272   7.426   1.591
    2    HA   ALA   1           HA       ALA   1  -1.387   5.070   3.102
    3    HB1  ALA   1           HB1      ALA   1  -4.193   6.123   2.785
    4    HB2  ALA   1           HB2      ALA   1  -3.636   4.886   3.913
    5    HB3  ALA   1           HB3      ALA   1  -3.109   6.558   4.107
    6    H    ALA   2           H        ALA   2  -0.833   3.537   1.640
    7    HA   ALA   2           HA       ALA   2  -2.249   3.105  -0.801
    8    HB1  ALA   2           HB1      ALA   2  -0.130   1.537   0.644
    9    HB2  ALA   2           HB2      ALA   2  -0.841   1.001  -0.878
   10    HB3  ALA   2           HB3      ALA   2   0.038   2.528  -0.805
   11    H    CYS   3           H        CYS   3  -3.675   1.480  -1.353
   12    HA   CYS   3           HA       CYS   3  -4.987   0.154   0.918
   13    HB2  CYS   3           HB2      CYS   3  -6.499   1.567  -0.305
   14    HB3  CYS   3           HB3      CYS   3  -5.996   0.866  -1.840
   15    H    SER   4           H        SER   4  -5.011  -2.002   1.090
   16    HA   SER   4           HA       SER   4  -4.979  -3.846  -1.004
   17    HB2  SER   4           HB2      SER   4  -2.537  -4.692  -0.396
   18    HB3  SER   4           HB3      SER   4  -2.797  -3.472  -1.643
   19    HG   SER   4           HG       SER   4  -1.148  -2.975  -0.028
   20    H    ASP   5           H        ASP   5  -3.966  -6.071  -0.070
   21    HA   ASP   5           HA       ASP   5  -5.263  -6.396   2.540
   22    HB2  ASP   5           HB2      ASP   5  -4.372  -8.692   0.830
   23    HB3  ASP   5           HB3      ASP   5  -5.710  -8.608   1.972
   24    H    ARG   6           H        ARG   6  -4.164  -6.962   4.320
   25    HA   ARG   6           HA       ARG   6  -1.307  -7.612   4.006
   26    HB2  ARG   6           HB2      ARG   6  -1.332  -6.698   6.500
   27    HB3  ARG   6           HB3      ARG   6  -1.161  -5.621   5.120
   28    HG2  ARG   6           HG2      ARG   6  -3.881  -6.226   6.180
   29    HG3  ARG   6           HG3      ARG   6  -2.849  -5.068   7.021
   30    HD2  ARG   6           HD2      ARG   6  -3.078  -4.759   4.090
   31    HD3  ARG   6           HD3      ARG   6  -4.518  -4.386   5.036
   32    HE   ARG   6           HE       ARG   6  -3.367  -2.613   6.053
   33   HH11  ARG   6          HH11      ARG   6  -1.398  -4.316   3.741
   34   HH12  ARG   6          HH12      ARG   6  -0.211  -3.059   3.631
   35   HH21  ARG   6          HH21      ARG   6  -1.810  -0.951   5.916
   36   HH22  ARG   6          HH22      ARG   6  -0.446  -1.146   4.869
   37    H    ALA   7           H        ALA   7  -4.335  -8.520   5.381
   38    HA   ALA   7           HA       ALA   7  -3.584 -10.165   7.483
   39    HB1  ALA   7           HB1      ALA   7  -5.939  -9.506   6.427
   40    HB2  ALA   7           HB2      ALA   7  -5.779 -11.124   5.742
   41    HB3  ALA   7           HB3      ALA   7  -5.732 -10.897   7.490
   42    H    HIS   8           H        HIS   8  -4.064 -12.683   7.299
   43    HA   HIS   8           HA       HIS   8  -1.866 -13.842   6.046
   44    HB2  HIS   8           HB2      HIS   8  -4.352 -14.870   7.315
   45    HB3  HIS   8           HB3      HIS   8  -3.443 -15.990   6.304
   46    HD1  HIS   8           HD1      HIS   8  -0.779 -16.140   7.012
   47    HD2  HIS   8           HD2      HIS   8  -3.461 -14.755   9.866
   48    HE1  HIS   8           HE1      HIS   8   0.398 -16.395   9.220
   49    H    GLY   9           H        GLY   9  -4.962 -13.012   4.776
   50    HA2  GLY   9           HA2      GLY   9  -5.013 -12.811   2.314
   51    HA3  GLY   9           HA3      GLY   9  -4.264 -14.400   2.261
   52    H    HIS  10           H        HIS  10  -5.600 -16.101   3.561
   53    HA   HIS  10           HA       HIS  10  -8.120 -16.303   2.261
   54    HB2  HIS  10           HB2      HIS  10  -8.374 -18.364   3.701
   55    HB3  HIS  10           HB3      HIS  10  -6.934 -18.329   2.687
   56    HD1  HIS  10           HD1      HIS  10  -4.886 -19.021   3.869
   57    HD2  HIS  10           HD2      HIS  10  -7.667 -17.354   6.467
   58    HE1  HIS  10           HE1      HIS  10  -3.854 -19.189   6.156
   59    H    ILE  11           H        ILE  11  -7.114 -14.869   5.182
   60    HA   ILE  11           HA       ILE  11  -9.449 -15.186   6.739
   61    HB   ILE  11           HB       ILE  11  -7.394 -12.973   6.796
   62   HG12  ILE  11          HG12      ILE  11  -6.926 -15.567   7.314
   63   HG13  ILE  11          HG13      ILE  11  -6.130 -14.263   8.188
   64   HG21  ILE  11          HG21      ILE  11  -8.247 -12.692   9.162
   65   HG22  ILE  11          HG22      ILE  11  -9.315 -12.130   7.877
   66   HG23  ILE  11          HG23      ILE  11  -9.633 -13.669   8.678
   67   HD11  ILE  11          HD11      ILE  11  -8.693 -15.449   9.174
   68   HD12  ILE  11          HD12      ILE  11  -7.133 -16.192   9.530
   69   HD13  ILE  11          HD13      ILE  11  -7.468 -14.546  10.066
   70    H    CYS  12           H        CYS  12  -8.380 -12.555   4.596
   71    HA   CYS  12           HA       CYS  12 -10.539 -10.840   4.951
   72    HB2  CYS  12           HB2      CYS  12  -9.048 -11.261   2.356
   73    HB3  CYS  12           HB3      CYS  12  -9.893  -9.805   2.872
   74    H    GLU  13           H        GLU  13 -10.099 -13.345   2.456
   75    HA   GLU  13           HA       GLU  13 -12.655 -13.004   1.295
   76    HB2  GLU  13           HB2      GLU  13 -10.481 -15.023   1.124
   77    HB3  GLU  13           HB3      GLU  13 -12.080 -15.524   0.594
   78    HG2  GLU  13           HG2      GLU  13 -11.964 -13.246  -0.736
   79    HG3  GLU  13           HG3      GLU  13 -10.231 -13.525  -0.578
   80    H    SER  14           H        SER  14 -11.414 -15.236   3.748
   81    HA   SER  14           HA       SER  14 -13.589 -16.906   4.047
   82    HB2  SER  14           HB2      SER  14 -11.470 -17.265   5.222
   83    HB3  SER  14           HB3      SER  14 -11.767 -15.843   6.221
   84    HG   SER  14           HG       SER  14 -12.344 -17.949   7.152
   85    H    PHE  15           H        PHE  15 -13.042 -13.724   5.498
   86    HA   PHE  15           HA       PHE  15 -15.897 -13.656   6.216
   87    HB2  PHE  15           HB2      PHE  15 -13.665 -12.357   7.788
   88    HB3  PHE  15           HB3      PHE  15 -15.372 -12.395   8.215
   89    HD1  PHE  15           HD2      PHE  15 -12.273 -14.331   8.028
   90    HD2  PHE  15           HD1      PHE  15 -16.377 -14.367   9.155
   91    HE1  PHE  15           HE2      PHE  15 -11.905 -16.412   9.288
   92    HE2  PHE  15           HE1      PHE  15 -16.016 -16.448  10.418
   93    HZ   PHE  15           HZ       PHE  15 -13.778 -17.474  10.484
   94    H    LYS  16           H        LYS  16 -15.085 -12.773   3.772
   95    HA   LYS  16           HA       LYS  16 -14.400 -10.013   3.719
   96    HB2  LYS  16           HB2      LYS  16 -15.143 -10.159   1.321
   97    HB3  LYS  16           HB3      LYS  16 -13.909 -11.323   1.785
   98    HG2  LYS  16           HG2      LYS  16 -15.196 -13.015   1.171
   99    HG3  LYS  16           HG3      LYS  16 -16.518 -12.444   2.191
  100    HD2  LYS  16           HD2      LYS  16 -16.037 -11.009  -0.362
  101    HD3  LYS  16           HD3      LYS  16 -16.735 -12.628  -0.456
  102    HE2  LYS  16           HE2      LYS  16 -18.573 -11.982   0.938
  103    HE3  LYS  16           HE3      LYS  16 -17.830 -10.420   1.280
  104    HZ1  LYS  16           HZ1      LYS  16 -19.380 -11.257  -0.999
  105    HZ2  LYS  16           HZ2      LYS  16 -17.962 -10.433  -1.413
  106    HZ3  LYS  16           HZ3      LYS  16 -19.097  -9.702  -0.394
  107    H    SER  17           H        SER  17 -17.425 -11.787   3.775
  108    HA   SER  17           HA       SER  17 -19.064  -9.507   3.199
  109    HB2  SER  17           HB2      SER  17 -19.572 -12.082   2.937
  110    HB3  SER  17           HB3      SER  17 -20.133 -11.927   4.602
  111    HG   SER  17           HG       SER  17 -21.756 -10.688   3.961
  112    H    PHE  18           H        PHE  18 -17.351 -10.488   5.903
  113    HA   PHE  18           HA       PHE  18 -19.214  -9.346   7.832
  114    HB2  PHE  18           HB2      PHE  18 -16.498 -10.623   8.210
  115    HB3  PHE  18           HB3      PHE  18 -17.535 -10.059   9.515
  116    HD1  PHE  18           HD1      PHE  18 -17.411 -12.436   6.669
  117    HD2  PHE  18           HD2      PHE  18 -19.154 -11.457  10.426
  118    HE1  PHE  18           HE1      PHE  18 -18.533 -14.625   6.714
  119    HE2  PHE  18           HE2      PHE  18 -20.279 -13.645  10.478
  120    HZ   PHE  18           HZ       PHE  18 -19.968 -15.233   8.621
  121    H    CYS  19           H        CYS  19 -17.150  -8.081   5.703
  122    HA   CYS  19           HA       CYS  19 -15.513  -6.346   7.197
  123    HB2  CYS  19           HB2      CYS  19 -16.534  -6.360   4.379
  124    HB3  CYS  19           HB3      CYS  19 -15.684  -4.944   4.989
  125    H    LYS  20           H        LYS  20 -18.859  -6.173   6.235
  126    HA   LYS  20           HA       LYS  20 -19.079  -3.399   7.120
  127    HB2  LYS  20           HB2      LYS  20 -21.425  -3.588   6.323
  128    HB3  LYS  20           HB3      LYS  20 -20.238  -3.936   5.072
  129    HG2  LYS  20           HG2      LYS  20 -20.756  -6.410   6.184
  130    HG3  LYS  20           HG3      LYS  20 -22.331  -5.613   6.167
  131    HD2  LYS  20           HD2      LYS  20 -22.112  -6.751   4.092
  132    HD3  LYS  20           HD3      LYS  20 -21.889  -5.032   3.757
  133    HE2  LYS  20           HE2      LYS  20 -19.500  -5.311   3.667
  134    HE3  LYS  20           HE3      LYS  20 -19.636  -6.992   4.180
  135    HZ1  LYS  20           HZ1      LYS  20 -21.198  -6.439   1.852
  136    HZ2  LYS  20           HZ2      LYS  20 -20.036  -7.641   2.107
  137    HZ3  LYS  20           HZ3      LYS  20 -19.560  -6.097   1.605
  138    H    ASP  21           H        ASP  21 -18.641  -5.874   8.863
  139    HA   ASP  21           HA       ASP  21 -21.035  -6.037  10.457
  140    HB2  ASP  21           HB2      ASP  21 -19.233  -7.868  10.085
  141    HB3  ASP  21           HB3      ASP  21 -18.336  -7.018  11.341
  142    H    SER  22           H        SER  22 -21.569  -4.811  12.144
  143    HA   SER  22           HA       SER  22 -19.852  -2.625  12.908
  144    HB2  SER  22           HB2      SER  22 -22.667  -3.439  13.498
  145    HB3  SER  22           HB3      SER  22 -21.872  -2.307  14.592
  146    HG   SER  22           HG       SER  22 -21.735  -0.840  13.007
  147    H    GLY  23           H        GLY  23 -18.370  -4.661  13.579
  148    HA2  GLY  23           HA2      GLY  23 -18.406  -4.602  16.495
  149    HA3  GLY  23           HA3      GLY  23 -18.508  -6.188  15.744
  150    H    ARG  24           H        ARG  24 -16.500  -6.535  16.982
  151    HA   ARG  24           HA       ARG  24 -14.120  -5.137  16.320
  152    HB2  ARG  24           HB2      ARG  24 -12.968  -6.821  17.586
  153    HB3  ARG  24           HB3      ARG  24 -14.471  -6.445  18.418
  154    HG2  ARG  24           HG2      ARG  24 -14.631  -8.684  18.538
  155    HG3  ARG  24           HG3      ARG  24 -15.296  -8.506  16.913
  156    HD2  ARG  24           HD2      ARG  24 -13.710 -10.143  16.585
  157    HD3  ARG  24           HD3      ARG  24 -12.803  -8.687  16.176
  158    HE   ARG  24           HE       ARG  24 -12.265  -8.988  18.793
  159   HH11  ARG  24          HH11      ARG  24 -12.139 -11.191  16.101
  160   HH12  ARG  24          HH12      ARG  24 -10.847 -12.135  16.766
  161   HH21  ARG  24          HH21      ARG  24 -10.565 -10.224  19.679
  162   HH22  ARG  24          HH22      ARG  24  -9.953 -11.585  18.802
  163    H    ASN  25           H        ASN  25 -15.697  -8.002  15.048
  164    HA   ASN  25           HA       ASN  25 -13.555  -8.979  13.502
  165    HB2  ASN  25           HB2      ASN  25 -16.503  -9.377  13.554
  166    HB3  ASN  25           HB3      ASN  25 -15.652  -9.860  12.090
  167   HD21  ASN  25          HD21      ASN  25 -16.922 -11.148  14.656
  168   HD22  ASN  25          HD22      ASN  25 -15.793 -12.404  15.023
  169    H    GLY  26           H        GLY  26 -16.104  -6.632  12.815
  170    HA2  GLY  26           HA2      GLY  26 -15.529  -6.339  10.053
  171    HA3  GLY  26           HA3      GLY  26 -16.425  -5.200  11.047
  172    H    VAL  27           H        VAL  27 -14.602  -4.370  12.871
  173    HA   VAL  27           HA       VAL  27 -13.136  -2.438  11.489
  174    HB   VAL  27           HB       VAL  27 -12.645  -3.473  14.286
  175   HG11  VAL  27          HG11      VAL  27 -11.539  -1.199  12.727
  176   HG12  VAL  27          HG12      VAL  27 -11.871  -0.948  14.441
  177   HG13  VAL  27          HG13      VAL  27 -10.766  -2.226  13.934
  178   HG21  VAL  27          HG21      VAL  27 -14.903  -2.231  13.281
  179   HG22  VAL  27          HG22      VAL  27 -14.434  -2.333  14.978
  180   HG23  VAL  27          HG23      VAL  27 -13.992  -0.917  14.025
  181    H    LYS  28           H        LYS  28 -12.052  -5.481  12.970
  182    HA   LYS  28           HA       LYS  28  -9.325  -5.189  12.309
  183    HB2  LYS  28           HB2      LYS  28 -10.992  -7.643  12.875
  184    HB3  LYS  28           HB3      LYS  28  -9.247  -7.684  12.660
  185    HG2  LYS  28           HG2      LYS  28  -8.833  -6.670  14.663
  186    HG3  LYS  28           HG3      LYS  28 -10.376  -5.812  14.673
  187    HD2  LYS  28           HD2      LYS  28 -10.944  -7.367  16.202
  188    HD3  LYS  28           HD3      LYS  28 -11.228  -8.379  14.784
  189    HE2  LYS  28           HE2      LYS  28  -8.453  -8.322  15.765
  190    HE3  LYS  28           HE3      LYS  28  -9.624  -9.064  16.855
  191    HZ1  LYS  28           HZ1      LYS  28  -9.342 -10.882  15.629
  192    HZ2  LYS  28           HZ2      LYS  28  -8.557 -10.048  14.385
  193    HZ3  LYS  28           HZ3      LYS  28 -10.247 -10.112  14.425
  194    H    LEU  29           H        LEU  29 -12.083  -6.223  10.485
  195    HA   LEU  29           HA       LEU  29 -10.640  -7.600   8.440
  196    HB2  LEU  29           HB2      LEU  29 -13.430  -6.612   8.787
  197    HB3  LEU  29           HB3      LEU  29 -12.880  -7.068   7.176
  198    HG   LEU  29           HG       LEU  29 -12.716  -8.936   9.529
  199   HD11  LEU  29          HD11      LEU  29 -15.065  -8.131   9.067
  200   HD12  LEU  29          HD12      LEU  29 -14.805  -9.871   8.950
  201   HD13  LEU  29          HD13      LEU  29 -14.921  -8.897   7.484
  202   HD21  LEU  29          HD21      LEU  29 -12.905  -9.596   6.606
  203   HD22  LEU  29          HD22      LEU  29 -12.363 -10.619   7.937
  204   HD23  LEU  29          HD23      LEU  29 -11.360  -9.274   7.392
  205    H    ARG  30           H        ARG  30 -12.049  -4.353   8.719
  206    HA   ARG  30           HA       ARG  30 -11.262  -3.495   6.134
  207    HB2  ARG  30           HB2      ARG  30 -11.948  -1.913   8.617
  208    HB3  ARG  30           HB3      ARG  30 -11.722  -1.209   7.021
  209    HG2  ARG  30           HG2      ARG  30 -13.562  -3.155   6.515
  210    HG3  ARG  30           HG3      ARG  30 -14.010  -2.637   8.142
  211    HD2  ARG  30           HD2      ARG  30 -13.412  -0.366   6.472
  212    HD3  ARG  30           HD3      ARG  30 -14.641  -1.385   5.722
  213    HE   ARG  30           HE       ARG  30 -15.115  -0.805   8.504
  214   HH11  ARG  30          HH11      ARG  30 -15.601   0.234   5.218
  215   HH12  ARG  30          HH12      ARG  30 -17.002   1.184   5.588
  216   HH21  ARG  30          HH21      ARG  30 -16.958   0.443   9.004
  217   HH22  ARG  30          HH22      ARG  30 -17.772   1.303   7.742
  218    H    ALA  31           H        ALA  31  -9.531  -3.971   9.021
  219    HA   ALA  31           HA       ALA  31  -7.442  -2.052   8.378
  220    HB1  ALA  31           HB1      ALA  31  -8.171  -2.468  10.726
  221    HB2  ALA  31           HB2      ALA  31  -7.480  -4.086  10.601
  222    HB3  ALA  31           HB3      ALA  31  -6.439  -2.670  10.460
  223    H    ASN  32           H        ASN  32  -7.647  -5.581   8.874
  224    HA   ASN  32           HA       ASN  32  -5.055  -6.015   7.715
  225    HB2  ASN  32           HB2      ASN  32  -7.220  -8.014   8.406
  226    HB3  ASN  32           HB3      ASN  32  -5.540  -8.395   8.038
  227   HD21  ASN  32          HD21      ASN  32  -7.615  -8.206  10.475
  228   HD22  ASN  32          HD22      ASN  32  -6.561  -7.749  11.766
  229    H    CYS  33           H        CYS  33  -8.134  -5.505   6.463
  230    HA   CYS  33           HA       CYS  33  -7.247  -6.407   3.826
  231    HB2  CYS  33           HB2      CYS  33 -10.068  -6.964   4.704
  232    HB3  CYS  33           HB3      CYS  33  -9.181  -7.649   3.346
  233    H    LYS  34           H        LYS  34  -6.972  -3.939   4.066
  234    HA   LYS  34           HA       LYS  34  -9.220  -2.242   4.022
  235    HB2  LYS  34           HB2      LYS  34  -6.602  -1.650   2.652
  236    HB3  LYS  34           HB3      LYS  34  -7.729  -0.511   3.377
  237    HG2  LYS  34           HG2      LYS  34  -7.098  -2.067   5.512
  238    HG3  LYS  34           HG3      LYS  34  -5.586  -2.086   4.601
  239    HD2  LYS  34           HD2      LYS  34  -6.706   0.571   4.680
  240    HD3  LYS  34           HD3      LYS  34  -6.511  -0.077   6.311
  241    HE2  LYS  34           HE2      LYS  34  -4.240  -0.162   6.151
  242    HE3  LYS  34           HE3      LYS  34  -4.264  -0.455   4.413
  243    HZ1  LYS  34           HZ1      LYS  34  -4.719   2.137   5.785
  244    HZ2  LYS  34           HZ2      LYS  34  -4.928   1.894   4.125
  245    HZ3  LYS  34           HZ3      LYS  34  -3.395   1.717   4.819
  246    H    LYS  35           H        LYS  35  -7.911  -4.334   1.661
  247    HA   LYS  35           HA       LYS  35  -9.178  -2.923  -0.558
  248    HB2  LYS  35           HB2      LYS  35  -6.966  -3.808  -0.984
  249    HB3  LYS  35           HB3      LYS  35  -7.466  -5.412  -0.466
  250    HG2  LYS  35           HG2      LYS  35  -9.243  -4.702  -2.501
  251    HG3  LYS  35           HG3      LYS  35  -7.649  -4.188  -3.057
  252    HD2  LYS  35           HD2      LYS  35  -6.966  -6.297  -3.364
  253    HD3  LYS  35           HD3      LYS  35  -7.623  -6.822  -1.812
  254    HE2  LYS  35           HE2      LYS  35  -9.612  -7.460  -2.717
  255    HE3  LYS  35           HE3      LYS  35  -9.559  -6.228  -3.977
  256    HZ1  LYS  35           HZ1      LYS  35  -9.281  -8.605  -4.718
  257    HZ2  LYS  35           HZ2      LYS  35  -7.758  -8.577  -3.985
  258    HZ3  LYS  35           HZ3      LYS  35  -8.101  -7.521  -5.261
  259    H    THR  36           H        THR  36  -9.203  -6.225   0.793
  260    HA   THR  36           HA       THR  36 -11.305  -7.271  -0.642
  261    HB   THR  36           HB       THR  36 -10.795  -7.832   2.285
  262    HG1  THR  36           HG1      THR  36  -8.873  -8.272   1.382
  263   HG21  THR  36          HG21      THR  36 -11.803  -9.728   0.175
  264   HG22  THR  36          HG22      THR  36 -12.891  -8.741   1.151
  265   HG23  THR  36          HG23      THR  36 -11.834  -9.920   1.927
  266    H    CYS  37           H        CYS  37 -11.392  -5.038   2.040
  267    HA   CYS  37           HA       CYS  37 -14.260  -5.290   2.378
  268    HB2  CYS  37           HB2      CYS  37 -12.198  -3.494   3.663
  269    HB3  CYS  37           HB3      CYS  37 -13.917  -3.413   4.033
  270    H    GLY  38           H        GLY  38 -11.967  -3.170   0.808
  271    HA2  GLY  38           HA2      GLY  38 -12.538  -1.818  -1.051
  272    HA3  GLY  38           HA3      GLY  38 -14.206  -1.807  -0.499
  273    H    LEU  39           H        LEU  39 -10.977  -0.545   0.192
  274    HA   LEU  39           HA       LEU  39 -12.248   1.879   1.258
  275    HB2  LEU  39           HB2      LEU  39  -9.915   0.396   2.453
  276    HB3  LEU  39           HB3      LEU  39 -10.385   2.030   2.915
  277    HG   LEU  39           HG       LEU  39 -12.443  -0.103   3.117
  278   HD11  LEU  39          HD11      LEU  39 -11.326  -1.390   4.531
  279   HD12  LEU  39          HD12      LEU  39 -11.056  -0.002   5.586
  280   HD13  LEU  39          HD13      LEU  39  -9.887  -0.390   4.323
  281   HD21  LEU  39          HD21      LEU  39 -11.707   2.131   4.997
  282   HD22  LEU  39          HD22      LEU  39 -13.210   1.210   4.942
  283   HD23  LEU  39          HD23      LEU  39 -12.812   2.328   3.636
  284    H    CYS  40           H        CYS  40 -10.517   0.696  -1.154
  285    HA   CYS  40           HA       CYS  40  -8.256   2.413  -1.284
  286    HB2  CYS  40           HB2      CYS  40  -9.662   1.150  -3.638
  287    HB3  CYS  40           HB3      CYS  40  -7.967   1.610  -3.512
  Start of MODEL   13
    1    H1   ALA   1           H        ALA   1   0.693   5.858   3.756
    2    HA   ALA   1           HA       ALA   1  -1.655   4.580   4.287
    3    HB1  ALA   1           HB1      ALA   1  -1.269   7.060   4.015
    4    HB2  ALA   1           HB2      ALA   1  -1.482   6.815   2.281
    5    HB3  ALA   1           HB3      ALA   1  -2.801   6.446   3.393
    6    H    ALA   2           H        ALA   2  -0.133   2.892   2.533
    7    HA   ALA   2           HA       ALA   2  -1.424   2.839  -0.034
    8    HB1  ALA   2           HB1      ALA   2   0.833   2.059   0.097
    9    HB2  ALA   2           HB2      ALA   2   0.409   0.879   1.338
   10    HB3  ALA   2           HB3      ALA   2  -0.197   0.686  -0.307
   11    H    CYS   3           H        CYS   3  -3.200   1.754  -0.630
   12    HA   CYS   3           HA       CYS   3  -4.634   0.251   1.424
   13    HB2  CYS   3           HB2      CYS   3  -5.949   1.945   0.354
   14    HB3  CYS   3           HB3      CYS   3  -5.482   1.379  -1.246
   15    H    SER   4           H        SER   4  -4.693  -1.893   1.441
   16    HA   SER   4           HA       SER   4  -4.995  -3.548  -0.786
   17    HB2  SER   4           HB2      SER   4  -2.588  -4.620  -0.486
   18    HB3  SER   4           HB3      SER   4  -2.853  -3.275  -1.595
   19    HG   SER   4           HG       SER   4  -1.069  -3.240   0.141
   20    H    ASP   5           H        ASP   5  -4.079  -5.912  -0.127
   21    HA   ASP   5           HA       ASP   5  -5.298  -6.418   2.471
   22    HB2  ASP   5           HB2      ASP   5  -4.299  -8.518   0.557
   23    HB3  ASP   5           HB3      ASP   5  -5.554  -8.661   1.785
   24    H    ARG   6           H        ARG   6  -4.216  -7.026   4.244
   25    HA   ARG   6           HA       ARG   6  -1.341  -7.610   3.960
   26    HB2  ARG   6           HB2      ARG   6  -1.413  -6.753   6.474
   27    HB3  ARG   6           HB3      ARG   6  -1.235  -5.644   5.121
   28    HG2  ARG   6           HG2      ARG   6  -3.964  -6.302   6.121
   29    HG3  ARG   6           HG3      ARG   6  -2.958  -5.159   7.012
   30    HD2  ARG   6           HD2      ARG   6  -3.161  -4.783   4.081
   31    HD3  ARG   6           HD3      ARG   6  -4.598  -4.420   5.036
   32    HE   ARG   6           HE       ARG   6  -3.432  -2.679   6.093
   33   HH11  ARG   6          HH11      ARG   6  -1.485  -4.339   3.732
   34   HH12  ARG   6          HH12      ARG   6  -0.291  -3.087   3.644
   35   HH21  ARG   6          HH21      ARG   6  -1.866  -1.023   5.986
   36   HH22  ARG   6          HH22      ARG   6  -0.508  -1.202   4.928
   37    H    ALA   7           H        ALA   7  -4.378  -8.568   5.295
   38    HA   ALA   7           HA       ALA   7  -3.629 -10.260   7.358
   39    HB1  ALA   7           HB1      ALA   7  -5.812 -11.176   5.574
   40    HB2  ALA   7           HB2      ALA   7  -5.771 -11.018   7.330
   41    HB3  ALA   7           HB3      ALA   7  -5.983  -9.588   6.321
   42    H    HIS   8           H        HIS   8  -4.062 -12.769   7.134
   43    HA   HIS   8           HA       HIS   8  -1.863 -13.876   5.833
   44    HB2  HIS   8           HB2      HIS   8  -4.307 -14.959   7.134
   45    HB3  HIS   8           HB3      HIS   8  -3.402 -16.052   6.091
   46    HD1  HIS   8           HD1      HIS   8  -1.887 -17.442   7.444
   47    HD2  HIS   8           HD2      HIS   8  -2.197 -13.587   8.965
   48    HE1  HIS   8           HE1      HIS   8  -0.367 -17.385   9.447
   49    H    GLY   9           H        GLY   9  -4.993 -13.081   4.627
   50    HA2  GLY   9           HA2      GLY   9  -5.106 -12.850   2.175
   51    HA3  GLY   9           HA3      GLY   9  -4.311 -14.414   2.079
   52    H    HIS  10           H        HIS  10  -5.587 -16.144   3.461
   53    HA   HIS  10           HA       HIS  10  -8.115 -16.424   2.175
   54    HB2  HIS  10           HB2      HIS  10  -6.961 -18.073   4.433
   55    HB3  HIS  10           HB3      HIS  10  -8.273 -18.544   3.357
   56    HD1  HIS  10           HD1      HIS  10  -4.566 -18.272   3.545
   57    HD2  HIS  10           HD2      HIS  10  -7.471 -19.329   0.770
   58    HE1  HIS  10           HE1      HIS  10  -3.325 -19.391   1.665
   59    H    ILE  11           H        ILE  11  -7.104 -14.968   5.082
   60    HA   ILE  11           HA       ILE  11  -9.422 -15.356   6.661
   61    HB   ILE  11           HB       ILE  11  -7.401 -13.113   6.744
   62   HG12  ILE  11          HG12      ILE  11  -6.927 -15.738   7.222
   63   HG13  ILE  11          HG13      ILE  11  -6.075 -14.428   8.033
   64   HG21  ILE  11          HG21      ILE  11  -9.579 -13.910   8.663
   65   HG22  ILE  11          HG22      ILE  11  -8.226 -12.871   9.108
   66   HG23  ILE  11          HG23      ILE  11  -9.357 -12.357   7.857
   67   HD11  ILE  11          HD11      ILE  11  -7.430 -14.626   9.960
   68   HD12  ILE  11          HD12      ILE  11  -8.560 -15.702   9.136
   69   HD13  ILE  11          HD13      ILE  11  -6.929 -16.257   9.514
   70    H    CYS  12           H        CYS  12  -8.439 -12.794   4.419
   71    HA   CYS  12           HA       CYS  12 -10.602 -11.065   4.856
   72    HB2  CYS  12           HB2      CYS  12  -9.165 -11.433   2.225
   73    HB3  CYS  12           HB3      CYS  12  -9.968  -9.982   2.816
   74    H    GLU  13           H        GLU  13 -10.153 -13.597   2.396
   75    HA   GLU  13           HA       GLU  13 -12.727 -13.269   1.244
   76    HB2  GLU  13           HB2      GLU  13 -12.261 -15.434   0.136
   77    HB3  GLU  13           HB3      GLU  13 -10.941 -14.285  -0.033
   78    HG2  GLU  13           HG2      GLU  13  -9.807 -15.431   1.873
   79    HG3  GLU  13           HG3      GLU  13 -11.071 -16.657   1.808
   80    H    SER  14           H        SER  14 -11.402 -15.576   3.593
   81    HA   SER  14           HA       SER  14 -13.577 -17.240   3.914
   82    HB2  SER  14           HB2      SER  14 -11.446 -16.316   5.824
   83    HB3  SER  14           HB3      SER  14 -12.722 -17.408   6.360
   84    HG   SER  14           HG       SER  14 -11.136 -17.926   4.075
   85    H    PHE  15           H        PHE  15 -13.091 -13.996   5.112
   86    HA   PHE  15           HA       PHE  15 -15.860 -13.998   6.087
   87    HB2  PHE  15           HB2      PHE  15 -13.517 -12.755   7.543
   88    HB3  PHE  15           HB3      PHE  15 -15.206 -12.638   8.027
   89    HD1  PHE  15           HD1      PHE  15 -16.425 -14.758   8.655
   90    HD2  PHE  15           HD2      PHE  15 -12.198 -14.567   8.200
   91    HE1  PHE  15           HE1      PHE  15 -16.194 -16.827   9.967
   92    HE2  PHE  15           HE2      PHE  15 -11.959 -16.636   9.510
   93    HZ   PHE  15           HZ       PHE  15 -13.959 -17.769  10.395
   94    H    LYS  16           H        LYS  16 -15.112 -13.109   3.598
   95    HA   LYS  16           HA       LYS  16 -14.528 -10.319   3.553
   96    HB2  LYS  16           HB2      LYS  16 -15.243 -10.492   1.150
   97    HB3  LYS  16           HB3      LYS  16 -13.965 -11.605   1.621
   98    HG2  LYS  16           HG2      LYS  16 -15.180 -13.365   1.041
   99    HG3  LYS  16           HG3      LYS  16 -16.562 -12.803   1.984
  100    HD2  LYS  16           HD2      LYS  16 -16.000 -11.417  -0.579
  101    HD3  LYS  16           HD3      LYS  16 -16.647 -13.058  -0.667
  102    HE2  LYS  16           HE2      LYS  16 -18.647 -12.063  -0.484
  103    HE3  LYS  16           HE3      LYS  16 -18.249 -11.928   1.228
  104    HZ1  LYS  16           HZ1      LYS  16 -18.740  -9.867  -0.563
  105    HZ2  LYS  16           HZ2      LYS  16 -17.093  -9.781  -0.186
  106    HZ3  LYS  16           HZ3      LYS  16 -18.247  -9.735   1.050
  107    H    SER  17           H        SER  17 -17.454 -12.224   3.676
  108    HA   SER  17           HA       SER  17 -19.222 -10.072   3.020
  109    HB2  SER  17           HB2      SER  17 -19.516 -12.884   3.951
  110    HB3  SER  17           HB3      SER  17 -20.870 -11.791   4.240
  111    HG   SER  17           HG       SER  17 -20.802 -11.302   1.976
  112    H    PHE  18           H        PHE  18 -17.399 -10.774   5.731
  113    HA   PHE  18           HA       PHE  18 -19.285  -9.501   7.579
  114    HB2  PHE  18           HB2      PHE  18 -16.645 -10.858   8.162
  115    HB3  PHE  18           HB3      PHE  18 -17.790 -10.263   9.359
  116    HD1  PHE  18           HD2      PHE  18 -17.320 -12.755   6.670
  117    HD2  PHE  18           HD1      PHE  18 -19.603 -11.575  10.063
  118    HE1  PHE  18           HE2      PHE  18 -18.458 -14.937   6.659
  119    HE2  PHE  18           HE1      PHE  18 -20.744 -13.756  10.058
  120    HZ   PHE  18           HZ       PHE  18 -20.173 -15.439   8.354
  121    H    CYS  19           H        CYS  19 -17.354  -8.340   5.407
  122    HA   CYS  19           HA       CYS  19 -15.483  -6.721   6.769
  123    HB2  CYS  19           HB2      CYS  19 -16.659  -6.787   4.035
  124    HB3  CYS  19           HB3      CYS  19 -15.868  -5.298   4.542
  125    H    LYS  20           H        LYS  20 -18.885  -6.436   6.241
  126    HA   LYS  20           HA       LYS  20 -18.876  -3.631   7.090
  127    HB2  LYS  20           HB2      LYS  20 -21.312  -3.721   6.500
  128    HB3  LYS  20           HB3      LYS  20 -20.222  -4.009   5.150
  129    HG2  LYS  20           HG2      LYS  20 -21.237  -5.925   4.726
  130    HG3  LYS  20           HG3      LYS  20 -20.830  -6.514   6.340
  131    HD2  LYS  20           HD2      LYS  20 -23.173  -6.659   6.211
  132    HD3  LYS  20           HD3      LYS  20 -22.858  -5.199   7.151
  133    HE2  LYS  20           HE2      LYS  20 -24.331  -4.278   5.714
  134    HE3  LYS  20           HE3      LYS  20 -22.918  -4.162   4.665
  135    HZ1  LYS  20           HZ1      LYS  20 -24.561  -5.139   3.356
  136    HZ2  LYS  20           HZ2      LYS  20 -25.095  -6.160   4.594
  137    HZ3  LYS  20           HZ3      LYS  20 -23.607  -6.449   3.843
  138    H    ASP  21           H        ASP  21 -18.385  -6.059   8.813
  139    HA   ASP  21           HA       ASP  21 -20.675  -6.204  10.554
  140    HB2  ASP  21           HB2      ASP  21 -18.855  -8.020  10.077
  141    HB3  ASP  21           HB3      ASP  21 -17.945  -7.174  11.325
  142    H    SER  22           H        SER  22 -20.944  -5.269  12.538
  143    HA   SER  22           HA       SER  22 -19.435  -2.865  13.031
  144    HB2  SER  22           HB2      SER  22 -21.779  -2.700  13.418
  145    HB3  SER  22           HB3      SER  22 -21.788  -4.151  14.419
  146    HG   SER  22           HG       SER  22 -20.939  -1.558  15.036
  147    H    GLY  23           H        GLY  23 -19.413  -6.119  14.160
  148    HA2  GLY  23           HA2      GLY  23 -18.162  -5.620  16.685
  149    HA3  GLY  23           HA3      GLY  23 -18.286  -7.174  15.874
  150    H    ARG  24           H        ARG  24 -16.027  -6.998  17.058
  151    HA   ARG  24           HA       ARG  24 -13.933  -5.542  15.936
  152    HB2  ARG  24           HB2      ARG  24 -13.701  -8.325  17.084
  153    HB3  ARG  24           HB3      ARG  24 -12.449  -7.093  17.014
  154    HG2  ARG  24           HG2      ARG  24 -14.492  -5.862  18.402
  155    HG3  ARG  24           HG3      ARG  24 -14.523  -7.526  18.989
  156    HD2  ARG  24           HD2      ARG  24 -12.309  -7.418  19.746
  157    HD3  ARG  24           HD3      ARG  24 -11.959  -5.983  18.784
  158    HE   ARG  24           HE       ARG  24 -13.074  -6.057  21.409
  159   HH11  ARG  24          HH11      ARG  24 -13.042  -4.266  18.424
  160   HH12  ARG  24          HH12      ARG  24 -13.463  -2.761  19.171
  161   HH21  ARG  24          HH21      ARG  24 -13.628  -4.081  22.404
  162   HH22  ARG  24          HH22      ARG  24 -13.795  -2.656  21.435
  163    H    ASN  25           H        ASN  25 -15.321  -8.644  14.997
  164    HA   ASN  25           HA       ASN  25 -13.437  -9.546  13.198
  165    HB2  ASN  25           HB2      ASN  25 -16.383  -9.861  13.464
  166    HB3  ASN  25           HB3      ASN  25 -15.657 -10.350  11.936
  167   HD21  ASN  25          HD21      ASN  25 -16.669 -12.392  12.915
  168   HD22  ASN  25          HD22      ASN  25 -15.594 -13.390  13.829
  169    H    GLY  26           H        GLY  26 -16.058  -7.219  12.652
  170    HA2  GLY  26           HA2      GLY  26 -15.547  -6.876   9.877
  171    HA3  GLY  26           HA3      GLY  26 -16.483  -5.793  10.898
  172    H    VAL  27           H        VAL  27 -14.635  -4.944  12.722
  173    HA   VAL  27           HA       VAL  27 -13.310  -2.896  11.362
  174    HB   VAL  27           HB       VAL  27 -12.541  -3.965  14.079
  175   HG11  VAL  27          HG11      VAL  27 -11.986  -1.546  14.467
  176   HG12  VAL  27          HG12      VAL  27 -10.949  -2.374  13.303
  177   HG13  VAL  27          HG13      VAL  27 -12.219  -1.288  12.738
  178   HG21  VAL  27          HG21      VAL  27 -14.159  -2.236  14.925
  179   HG22  VAL  27          HG22      VAL  27 -14.774  -2.108  13.277
  180   HG23  VAL  27          HG23      VAL  27 -14.897  -3.637  14.147
  181    H    LYS  28           H        LYS  28 -12.033  -5.928  12.706
  182    HA   LYS  28           HA       LYS  28  -9.347  -5.485  11.975
  183    HB2  LYS  28           HB2      LYS  28 -10.869  -8.047  12.472
  184    HB3  LYS  28           HB3      LYS  28  -9.127  -7.973  12.242
  185    HG2  LYS  28           HG2      LYS  28 -10.631  -6.550  14.428
  186    HG3  LYS  28           HG3      LYS  28  -9.796  -8.095  14.611
  187    HD2  LYS  28           HD2      LYS  28  -8.051  -6.150  13.410
  188    HD3  LYS  28           HD3      LYS  28  -8.723  -5.521  14.916
  189    HE2  LYS  28           HE2      LYS  28  -7.708  -8.313  14.896
  190    HE3  LYS  28           HE3      LYS  28  -6.526  -7.006  14.864
  191    HZ1  LYS  28           HZ1      LYS  28  -7.874  -6.091  16.827
  192    HZ2  LYS  28           HZ2      LYS  28  -6.836  -7.397  17.107
  193    HZ3  LYS  28           HZ3      LYS  28  -8.501  -7.658  16.954
  194    H    LEU  29           H        LEU  29 -12.105  -6.656  10.209
  195    HA   LEU  29           HA       LEU  29 -10.675  -7.873   8.073
  196    HB2  LEU  29           HB2      LEU  29 -13.485  -6.976   8.513
  197    HB3  LEU  29           HB3      LEU  29 -12.958  -7.379   6.880
  198    HG   LEU  29           HG       LEU  29 -12.707  -9.291   9.192
  199   HD11  LEU  29          HD11      LEU  29 -15.069  -8.631   8.860
  200   HD12  LEU  29          HD12      LEU  29 -14.758 -10.325   8.483
  201   HD13  LEU  29          HD13      LEU  29 -14.946  -9.153   7.180
  202   HD21  LEU  29          HD21      LEU  29 -11.350  -9.547   7.048
  203   HD22  LEU  29          HD22      LEU  29 -12.887  -9.894   6.255
  204   HD23  LEU  29          HD23      LEU  29 -12.315 -10.931   7.563
  205    H    ARG  30           H        ARG  30 -12.214  -4.693   8.464
  206    HA   ARG  30           HA       ARG  30 -11.470  -3.734   5.899
  207    HB2  ARG  30           HB2      ARG  30 -12.240  -2.244   8.414
  208    HB3  ARG  30           HB3      ARG  30 -12.057  -1.500   6.832
  209    HG2  ARG  30           HG2      ARG  30 -13.791  -3.508   6.267
  210    HG3  ARG  30           HG3      ARG  30 -14.251  -3.105   7.922
  211    HD2  ARG  30           HD2      ARG  30 -13.811  -0.723   6.354
  212    HD3  ARG  30           HD3      ARG  30 -14.999  -1.775   5.586
  213    HE   ARG  30           HE       ARG  30 -15.449  -1.365   8.397
  214   HH11  ARG  30          HH11      ARG  30 -16.026  -0.141   5.189
  215   HH12  ARG  30          HH12      ARG  30 -17.455   0.729   5.637
  216   HH21  ARG  30          HH21      ARG  30 -17.330  -0.224   8.999
  217   HH22  ARG  30          HH22      ARG  30 -18.196   0.682   7.804
  218    H    ALA  31           H        ALA  31  -9.717  -4.216   8.763
  219    HA   ALA  31           HA       ALA  31  -7.713  -2.190   8.132
  220    HB1  ALA  31           HB1      ALA  31  -8.428  -2.508  10.472
  221    HB2  ALA  31           HB2      ALA  31  -7.779  -4.148  10.424
  222    HB3  ALA  31           HB3      ALA  31  -6.698  -2.766  10.246
  223    H    ASN  32           H        ASN  32  -7.818  -5.711   8.699
  224    HA   ASN  32           HA       ASN  32  -5.180  -6.082   7.617
  225    HB2  ASN  32           HB2      ASN  32  -7.306  -8.108   8.351
  226    HB3  ASN  32           HB3      ASN  32  -5.633  -8.487   7.953
  227   HD21  ASN  32          HD21      ASN  32  -7.645  -8.282  10.432
  228   HD22  ASN  32          HD22      ASN  32  -6.569  -7.785  11.690
  229    H    CYS  33           H        CYS  33  -8.220  -5.664   6.271
  230    HA   CYS  33           HA       CYS  33  -7.253  -6.623   3.684
  231    HB2  CYS  33           HB2      CYS  33 -10.077  -7.224   4.536
  232    HB3  CYS  33           HB3      CYS  33  -9.172  -7.896   3.182
  233    H    LYS  34           H        LYS  34  -7.062  -4.114   3.973
  234    HA   LYS  34           HA       LYS  34  -9.330  -2.480   3.795
  235    HB2  LYS  34           HB2      LYS  34  -6.679  -1.877   2.491
  236    HB3  LYS  34           HB3      LYS  34  -7.857  -0.733   3.122
  237    HG2  LYS  34           HG2      LYS  34  -7.279  -2.210   5.337
  238    HG3  LYS  34           HG3      LYS  34  -5.729  -2.193   4.492
  239    HD2  LYS  34           HD2      LYS  34  -5.446   0.041   4.777
  240    HD3  LYS  34           HD3      LYS  34  -7.173   0.383   4.657
  241    HE2  LYS  34           HE2      LYS  34  -7.481   0.223   6.876
  242    HE3  LYS  34           HE3      LYS  34  -6.411  -1.170   7.021
  243    HZ1  LYS  34           HZ1      LYS  34  -4.725   0.884   6.449
  244    HZ2  LYS  34           HZ2      LYS  34  -5.003   0.236   7.986
  245    HZ3  LYS  34           HZ3      LYS  34  -5.859   1.603   7.478
  246    H    LYS  35           H        LYS  35  -7.898  -4.575   1.501
  247    HA   LYS  35           HA       LYS  35  -9.109  -3.238  -0.785
  248    HB2  LYS  35           HB2      LYS  35  -6.812  -4.379  -0.798
  249    HB3  LYS  35           HB3      LYS  35  -7.697  -5.898  -0.818
  250    HG2  LYS  35           HG2      LYS  35  -7.160  -5.429  -3.057
  251    HG3  LYS  35           HG3      LYS  35  -8.873  -5.040  -2.883
  252    HD2  LYS  35           HD2      LYS  35  -7.455  -2.696  -2.242
  253    HD3  LYS  35           HD3      LYS  35  -6.700  -3.352  -3.697
  254    HE2  LYS  35           HE2      LYS  35  -9.657  -2.871  -3.345
  255    HE3  LYS  35           HE3      LYS  35  -8.551  -1.785  -4.183
  256    HZ1  LYS  35           HZ1      LYS  35  -8.091  -3.506  -5.786
  257    HZ2  LYS  35           HZ2      LYS  35  -9.760  -3.245  -5.707
  258    HZ3  LYS  35           HZ3      LYS  35  -9.080  -4.602  -4.960
  259    H    THR  36           H        THR  36  -9.231  -6.495   0.666
  260    HA   THR  36           HA       THR  36 -11.313  -7.544  -0.804
  261    HB   THR  36           HB       THR  36 -10.866  -8.045   2.144
  262    HG1  THR  36           HG1      THR  36  -9.637  -9.197  -0.156
  263   HG21  THR  36          HG21      THR  36 -11.672 -10.366   1.404
  264   HG22  THR  36          HG22      THR  36 -12.271  -9.553  -0.042
  265   HG23  THR  36          HG23      THR  36 -12.880  -9.090   1.547
  266    H    CYS  37           H        CYS  37 -11.420  -5.199   1.763
  267    HA   CYS  37           HA       CYS  37 -14.323  -5.391   1.984
  268    HB2  CYS  37           HB2      CYS  37 -12.306  -3.682   3.453
  269    HB3  CYS  37           HB3      CYS  37 -14.040  -3.651   3.754
  270    H    GLY  38           H        GLY  38 -11.855  -3.402   0.555
  271    HA2  GLY  38           HA2      GLY  38 -12.143  -1.861  -1.170
  272    HA3  GLY  38           HA3      GLY  38 -13.880  -1.938  -0.915
  273    H    LEU  39           H        LEU  39 -10.875  -0.522   0.234
  274    HA   LEU  39           HA       LEU  39 -12.448   1.690   1.368
  275    HB2  LEU  39           HB2      LEU  39 -10.014   0.373   2.557
  276    HB3  LEU  39           HB3      LEU  39 -10.670   1.911   3.112
  277    HG   LEU  39           HG       LEU  39 -12.503  -0.424   3.073
  278   HD11  LEU  39          HD11      LEU  39 -11.408  -1.680   4.537
  279   HD12  LEU  39          HD12      LEU  39 -11.101  -0.293   5.582
  280   HD13  LEU  39          HD13      LEU  39  -9.989  -0.667   4.265
  281   HD21  LEU  39          HD21      LEU  39 -13.609   1.378   3.907
  282   HD22  LEU  39          HD22      LEU  39 -12.143   2.127   4.542
  283   HD23  LEU  39          HD23      LEU  39 -12.894   0.785   5.407
  284    H    CYS  40           H        CYS  40 -10.374   0.813  -0.969
  285    HA   CYS  40           HA       CYS  40  -8.403   2.858  -0.872
  286    HB2  CYS  40           HB2      CYS  40  -9.390   1.454  -3.355
  287    HB3  CYS  40           HB3      CYS  40  -7.807   2.174  -3.082
  Start of MODEL   14
    1    H1   ALA   1           H        ALA   1  -1.552   7.486   0.884
    2    HA   ALA   1           HA       ALA   1  -3.282   5.709   1.910
    3    HB1  ALA   1           HB1      ALA   1  -4.873   6.447   0.411
    4    HB2  ALA   1           HB2      ALA   1  -3.679   7.743   0.339
    5    HB3  ALA   1           HB3      ALA   1  -3.730   6.520  -0.930
    6    H    ALA   2           H        ALA   2  -1.211   4.027   1.478
    7    HA   ALA   2           HA       ALA   2  -1.509   2.441  -0.878
    8    HB1  ALA   2           HB1      ALA   2   0.614   2.554   0.309
    9    HB2  ALA   2           HB2      ALA   2  -0.123   1.801   1.724
   10    HB3  ALA   2           HB3      ALA   2   0.033   0.891   0.221
   11    H    CYS   3           H        CYS   3  -3.477   1.537  -1.169
   12    HA   CYS   3           HA       CYS   3  -4.756   0.144   1.063
   13    HB2  CYS   3           HB2      CYS   3  -6.235   1.601  -0.131
   14    HB3  CYS   3           HB3      CYS   3  -5.739   0.931  -1.682
   15    H    SER   4           H        SER   4  -4.750  -2.000   1.255
   16    HA   SER   4           HA       SER   4  -4.811  -3.836  -0.867
   17    HB2  SER   4           HB2      SER   4  -2.113  -3.024   0.092
   18    HB3  SER   4           HB3      SER   4  -2.381  -4.743  -0.197
   19    HG   SER   4           HG       SER   4  -3.323  -3.867  -2.299
   20    H    ASP   5           H        ASP   5  -3.813  -6.088   0.080
   21    HA   ASP   5           HA       ASP   5  -5.171  -6.404   2.660
   22    HB2  ASP   5           HB2      ASP   5  -4.265  -8.713   0.979
   23    HB3  ASP   5           HB3      ASP   5  -5.640  -8.603   2.075
   24    H    ARG   6           H        ARG   6  -4.110  -6.959   4.462
   25    HA   ARG   6           HA       ARG   6  -1.254  -7.640   4.208
   26    HB2  ARG   6           HB2      ARG   6  -1.319  -6.731   6.700
   27    HB3  ARG   6           HB3      ARG   6  -1.126  -5.649   5.327
   28    HG2  ARG   6           HG2      ARG   6  -3.871  -6.248   6.307
   29    HG3  ARG   6           HG3      ARG   6  -2.854  -5.134   7.223
   30    HD2  ARG   6           HD2      ARG   6  -3.096  -4.775   4.275
   31    HD3  ARG   6           HD3      ARG   6  -4.436  -4.273   5.304
   32    HE   ARG   6           HE       ARG   6  -2.254  -3.140   6.465
   33   HH11  ARG   6          HH11      ARG   6  -3.607  -3.096   3.258
   34   HH12  ARG   6          HH12      ARG   6  -3.029  -1.504   2.895
   35   HH21  ARG   6          HH21      ARG   6  -1.487  -1.043   5.999
   36   HH22  ARG   6          HH22      ARG   6  -1.822  -0.337   4.454
   37    H    ALA   7           H        ALA   7  -4.317  -8.521   5.531
   38    HA   ALA   7           HA       ALA   7  -3.614 -10.184   7.635
   39    HB1  ALA   7           HB1      ALA   7  -5.948  -9.499   6.499
   40    HB2  ALA   7           HB2      ALA   7  -5.792 -11.149   5.893
   41    HB3  ALA   7           HB3      ALA   7  -5.775 -10.842   7.630
   42    H    HIS   8           H        HIS   8  -4.126 -12.696   7.430
   43    HA   HIS   8           HA       HIS   8  -1.925 -13.885   6.227
   44    HB2  HIS   8           HB2      HIS   8  -4.473 -14.878   7.394
   45    HB3  HIS   8           HB3      HIS   8  -3.555 -16.003   6.398
   46    HD1  HIS   8           HD1      HIS   8  -3.555 -14.322   9.700
   47    HD2  HIS   8           HD2      HIS   8  -1.021 -16.730   7.456
   48    HE1  HIS   8           HE1      HIS   8  -1.790 -15.119  11.304
   49    H    GLY   9           H        GLY   9  -4.984 -13.012   4.875
   50    HA2  GLY   9           HA2      GLY   9  -4.973 -12.759   2.422
   51    HA3  GLY   9           HA3      GLY   9  -4.196 -14.334   2.351
   52    H    HIS  10           H        HIS  10  -5.590 -16.015   3.747
   53    HA   HIS  10           HA       HIS  10  -8.058 -16.249   2.311
   54    HB2  HIS  10           HB2      HIS  10  -6.629 -17.935   4.343
   55    HB3  HIS  10           HB3      HIS  10  -8.289 -18.308   3.888
   56    HD1  HIS  10           HD1      HIS  10  -8.179 -20.242   2.355
   57    HD2  HIS  10           HD2      HIS  10  -5.213 -17.450   1.535
   58    HE1  HIS  10           HE1      HIS  10  -6.997 -21.098   0.307
   59    H    ILE  11           H        ILE  11  -7.136 -14.846   5.267
   60    HA   ILE  11           HA       ILE  11  -9.505 -15.234   6.767
   61    HB   ILE  11           HB       ILE  11  -7.456 -13.022   6.933
   62   HG12  ILE  11          HG12      ILE  11  -7.095 -15.671   7.456
   63   HG13  ILE  11          HG13      ILE  11  -6.207 -14.374   8.249
   64   HG21  ILE  11          HG21      ILE  11  -9.438 -12.214   7.957
   65   HG22  ILE  11          HG22      ILE  11  -9.733 -13.756   8.757
   66   HG23  ILE  11          HG23      ILE  11  -8.375 -12.748   9.259
   67   HD11  ILE  11          HD11      ILE  11  -8.768 -15.488   9.345
   68   HD12  ILE  11          HD12      ILE  11  -7.181 -16.145   9.747
   69   HD13  ILE  11          HD13      ILE  11  -7.576 -14.477  10.161
   70    H    CYS  12           H        CYS  12  -8.401 -12.548   4.713
   71    HA   CYS  12           HA       CYS  12 -10.581 -10.854   5.062
   72    HB2  CYS  12           HB2      CYS  12  -9.029 -11.188   2.490
   73    HB3  CYS  12           HB3      CYS  12  -9.881  -9.750   3.042
   74    H    GLU  13           H        GLU  13 -10.060 -13.322   2.548
   75    HA   GLU  13           HA       GLU  13 -12.591 -12.956   1.321
   76    HB2  GLU  13           HB2      GLU  13 -12.102 -15.073   0.161
   77    HB3  GLU  13           HB3      GLU  13 -10.740 -13.962   0.107
   78    HG2  GLU  13           HG2      GLU  13  -9.735 -15.207   2.013
   79    HG3  GLU  13           HG3      GLU  13 -11.042 -16.381   1.867
   80    H    SER  14           H        SER  14 -11.370 -15.281   3.701
   81    HA   SER  14           HA       SER  14 -13.531 -16.974   3.906
   82    HB2  SER  14           HB2      SER  14 -11.473 -16.036   5.868
   83    HB3  SER  14           HB3      SER  14 -12.811 -17.032   6.440
   84    HG   SER  14           HG       SER  14 -11.087 -17.723   4.293
   85    H    PHE  15           H        PHE  15 -13.118 -13.763   5.278
   86    HA   PHE  15           HA       PHE  15 -15.973 -13.763   5.966
   87    HB2  PHE  15           HB2      PHE  15 -13.851 -12.510   7.714
   88    HB3  PHE  15           HB3      PHE  15 -15.570 -12.657   8.062
   89    HD1  PHE  15           HD2      PHE  15 -16.536 -14.940   8.454
   90    HD2  PHE  15           HD1      PHE  15 -12.346 -14.219   8.270
   91    HE1  PHE  15           HE2      PHE  15 -16.122 -17.077   9.600
   92    HE2  PHE  15           HE1      PHE  15 -11.924 -16.356   9.414
   93    HZ   PHE  15           HZ       PHE  15 -13.813 -17.787  10.082
   94    H    LYS  16           H        LYS  16 -15.099 -12.761   3.616
   95    HA   LYS  16           HA       LYS  16 -14.399  -9.996   3.749
   96    HB2  LYS  16           HB2      LYS  16 -14.943 -10.009   1.312
   97    HB3  LYS  16           HB3      LYS  16 -13.789 -11.247   1.790
   98    HG2  LYS  16           HG2      LYS  16 -15.171 -12.935   1.247
   99    HG3  LYS  16           HG3      LYS  16 -16.611 -12.077   1.802
  100    HD2  LYS  16           HD2      LYS  16 -16.972 -12.124  -0.470
  101    HD3  LYS  16           HD3      LYS  16 -16.151 -10.572  -0.292
  102    HE2  LYS  16           HE2      LYS  16 -14.004 -11.758  -0.811
  103    HE3  LYS  16           HE3      LYS  16 -14.959 -13.189  -1.193
  104    HZ1  LYS  16           HZ1      LYS  16 -15.521 -12.358  -3.164
  105    HZ2  LYS  16           HZ2      LYS  16 -14.294 -11.216  -2.935
  106    HZ3  LYS  16           HZ3      LYS  16 -15.892 -10.832  -2.533
  107    H    SER  17           H        SER  17 -17.384 -11.784   3.711
  108    HA   SER  17           HA       SER  17 -19.051  -9.557   3.024
  109    HB2  SER  17           HB2      SER  17 -19.479 -12.378   3.873
  110    HB3  SER  17           HB3      SER  17 -20.805 -11.245   4.135
  111    HG   SER  17           HG       SER  17 -19.776 -12.259   1.782
  112    H    PHE  18           H        PHE  18 -17.397 -10.446   5.810
  113    HA   PHE  18           HA       PHE  18 -19.307  -9.179   7.622
  114    HB2  PHE  18           HB2      PHE  18 -16.671 -10.543   8.212
  115    HB3  PHE  18           HB3      PHE  18 -17.814  -9.955   9.415
  116    HD1  PHE  18           HD2      PHE  18 -17.385 -12.399   6.669
  117    HD2  PHE  18           HD1      PHE  18 -19.613 -11.277  10.118
  118    HE1  PHE  18           HE2      PHE  18 -18.541 -14.570   6.624
  119    HE2  PHE  18           HE1      PHE  18 -20.772 -13.448  10.079
  120    HZ   PHE  18           HZ       PHE  18 -20.237 -15.097   8.330
  121    H    CYS  19           H        CYS  19 -17.223  -8.012   5.535
  122    HA   CYS  19           HA       CYS  19 -15.459  -6.379   6.998
  123    HB2  CYS  19           HB2      CYS  19 -16.529  -6.373   4.210
  124    HB3  CYS  19           HB3      CYS  19 -15.689  -4.938   4.788
  125    H    LYS  20           H        LYS  20 -18.830  -6.090   6.265
  126    HA   LYS  20           HA       LYS  20 -18.895  -3.289   7.094
  127    HB2  LYS  20           HB2      LYS  20 -21.327  -3.459   6.494
  128    HB3  LYS  20           HB3      LYS  20 -20.221  -3.756   5.160
  129    HG2  LYS  20           HG2      LYS  20 -21.186  -5.707   4.784
  130    HG3  LYS  20           HG3      LYS  20 -20.769  -6.241   6.414
  131    HD2  LYS  20           HD2      LYS  20 -23.048  -6.435   6.502
  132    HD3  LYS  20           HD3      LYS  20 -22.863  -4.771   7.060
  133    HE2  LYS  20           HE2      LYS  20 -24.325  -4.255   5.448
  134    HE3  LYS  20           HE3      LYS  20 -22.972  -4.473   4.339
  135    HZ1  LYS  20           HZ1      LYS  20 -23.768  -6.444   3.607
  136    HZ2  LYS  20           HZ2      LYS  20 -25.248  -5.762   4.061
  137    HZ3  LYS  20           HZ3      LYS  20 -24.472  -6.860   5.088
  138    H    ASP  21           H        ASP  21 -18.407  -5.726   8.860
  139    HA   ASP  21           HA       ASP  21 -20.694  -5.797  10.611
  140    HB2  ASP  21           HB2      ASP  21 -19.003  -7.694  10.176
  141    HB3  ASP  21           HB3      ASP  21 -17.952  -6.832  11.296
  142    H    SER  22           H        SER  22 -20.951  -4.802  12.560
  143    HA   SER  22           HA       SER  22 -19.361  -2.444  13.025
  144    HB2  SER  22           HB2      SER  22 -20.991  -2.389  15.113
  145    HB3  SER  22           HB3      SER  22 -21.572  -1.984  13.498
  146    HG   SER  22           HG       SER  22 -22.595  -3.887  13.368
  147    H    GLY  23           H        GLY  23 -19.450  -5.678  14.198
  148    HA2  GLY  23           HA2      GLY  23 -18.232  -5.191  16.738
  149    HA3  GLY  23           HA3      GLY  23 -18.368  -6.746  15.930
  150    H    ARG  24           H        ARG  24 -16.131  -6.618  17.153
  151    HA   ARG  24           HA       ARG  24 -13.990  -5.201  16.063
  152    HB2  ARG  24           HB2      ARG  24 -12.551  -6.853  17.133
  153    HB3  ARG  24           HB3      ARG  24 -13.874  -6.405  18.201
  154    HG2  ARG  24           HG2      ARG  24 -15.013  -8.521  17.124
  155    HG3  ARG  24           HG3      ARG  24 -13.335  -8.977  16.821
  156    HD2  ARG  24           HD2      ARG  24 -13.771  -7.972  19.519
  157    HD3  ARG  24           HD3      ARG  24 -14.741  -9.399  19.154
  158    HE   ARG  24           HE       ARG  24 -12.014  -9.713  18.368
  159   HH11  ARG  24          HH11      ARG  24 -14.192  -9.846  21.081
  160   HH12  ARG  24          HH12      ARG  24 -13.213 -10.958  21.979
  161   HH21  ARG  24          HH21      ARG  24 -10.717 -11.177  19.541
  162   HH22  ARG  24          HH22      ARG  24 -11.236 -11.714  21.102
  163    H    ASN  25           H        ASN  25 -15.417  -8.285  15.126
  164    HA   ASN  25           HA       ASN  25 -13.513  -9.241  13.374
  165    HB2  ASN  25           HB2      ASN  25 -16.469  -9.500  13.585
  166    HB3  ASN  25           HB3      ASN  25 -15.722 -10.018  12.077
  167   HD21  ASN  25          HD21      ASN  25 -16.805 -12.024  13.083
  168   HD22  ASN  25          HD22      ASN  25 -15.760 -13.034  14.018
  169    H    GLY  26           H        GLY  26 -16.083  -6.875  12.751
  170    HA2  GLY  26           HA2      GLY  26 -15.504  -6.569   9.985
  171    HA3  GLY  26           HA3      GLY  26 -16.449  -5.464  10.973
  172    H    VAL  27           H        VAL  27 -14.612  -4.644  12.838
  173    HA   VAL  27           HA       VAL  27 -13.246  -2.610  11.504
  174    HB   VAL  27           HB       VAL  27 -12.554  -3.716  14.228
  175   HG11  VAL  27          HG11      VAL  27 -11.465  -1.601  12.673
  176   HG12  VAL  27          HG12      VAL  27 -12.311  -0.898  14.052
  177   HG13  VAL  27          HG13      VAL  27 -11.042  -2.095  14.312
  178   HG21  VAL  27          HG21      VAL  27 -14.112  -1.972  15.075
  179   HG22  VAL  27          HG22      VAL  27 -14.639  -1.693  13.416
  180   HG23  VAL  27          HG23      VAL  27 -14.914  -3.260  14.177
  181    H    LYS  28           H        LYS  28 -12.026  -5.671  12.833
  182    HA   LYS  28           HA       LYS  28  -9.325  -5.258  12.130
  183    HB2  LYS  28           HB2      LYS  28 -10.889  -7.797  12.609
  184    HB3  LYS  28           HB3      LYS  28  -9.146  -7.753  12.381
  185    HG2  LYS  28           HG2      LYS  28 -10.641  -6.336  14.577
  186    HG3  LYS  28           HG3      LYS  28  -9.791  -7.874  14.746
  187    HD2  LYS  28           HD2      LYS  28  -7.692  -6.759  14.105
  188    HD3  LYS  28           HD3      LYS  28  -8.556  -5.223  13.997
  189    HE2  LYS  28           HE2      LYS  28  -7.598  -5.159  16.117
  190    HE3  LYS  28           HE3      LYS  28  -9.250  -5.688  16.431
  191    HZ1  LYS  28           HZ1      LYS  28  -6.750  -7.216  16.587
  192    HZ2  LYS  28           HZ2      LYS  28  -8.179  -8.035  16.205
  193    HZ3  LYS  28           HZ3      LYS  28  -8.057  -7.181  17.660
  194    H    LEU  29           H        LEU  29 -12.082  -6.416  10.344
  195    HA   LEU  29           HA       LEU  29 -10.658  -7.636   8.214
  196    HB2  LEU  29           HB2      LEU  29 -13.453  -6.677   8.624
  197    HB3  LEU  29           HB3      LEU  29 -12.916  -7.098   6.999
  198    HG   LEU  29           HG       LEU  29 -12.763  -8.999   9.331
  199   HD11  LEU  29          HD11      LEU  29 -15.100  -8.277   8.863
  200   HD12  LEU  29          HD12      LEU  29 -14.804  -9.993   8.584
  201   HD13  LEU  29          HD13      LEU  29 -14.906  -8.883   7.218
  202   HD21  LEU  29          HD21      LEU  29 -12.828  -9.623   6.393
  203   HD22  LEU  29          HD22      LEU  29 -12.337 -10.662   7.731
  204   HD23  LEU  29          HD23      LEU  29 -11.321  -9.302   7.251
  205    H    ARG  30           H        ARG  30 -12.082  -4.413   8.641
  206    HA   ARG  30           HA       ARG  30 -11.325  -3.460   6.073
  207    HB2  ARG  30           HB2      ARG  30 -12.037  -1.962   8.600
  208    HB3  ARG  30           HB3      ARG  30 -11.844  -1.218   7.019
  209    HG2  ARG  30           HG2      ARG  30 -13.641  -3.205   6.494
  210    HG3  ARG  30           HG3      ARG  30 -14.088  -2.716   8.130
  211    HD2  ARG  30           HD2      ARG  30 -13.554  -0.414   6.482
  212    HD3  ARG  30           HD3      ARG  30 -14.766  -1.451   5.731
  213    HE   ARG  30           HE       ARG  30 -15.228  -0.913   8.524
  214   HH11  ARG  30          HH11      ARG  30 -15.767   0.151   5.253
  215   HH12  ARG  30          HH12      ARG  30 -17.185   1.066   5.645
  216   HH21  ARG  30          HH21      ARG  30 -17.094   0.288   9.053
  217   HH22  ARG  30          HH22      ARG  30 -17.938   1.144   7.808
  218    H    ALA  31           H        ALA  31  -9.603  -3.967   8.969
  219    HA   ALA  31           HA       ALA  31  -7.535  -2.013   8.343
  220    HB1  ALA  31           HB1      ALA  31  -6.527  -2.660  10.444
  221    HB2  ALA  31           HB2      ALA  31  -8.246  -2.341  10.679
  222    HB3  ALA  31           HB3      ALA  31  -7.659  -4.002  10.606
  223    H    ASN  32           H        ASN  32  -7.725  -5.538   8.868
  224    HA   ASN  32           HA       ASN  32  -5.104  -5.963   7.770
  225    HB2  ASN  32           HB2      ASN  32  -7.274  -7.961   8.453
  226    HB3  ASN  32           HB3      ASN  32  -5.594  -8.350   8.093
  227   HD21  ASN  32          HD21      ASN  32  -7.680  -8.124  10.522
  228   HD22  ASN  32          HD22      ASN  32  -6.627  -7.664  11.812
  229    H    CYS  33           H        CYS  33  -8.159  -5.485   6.450
  230    HA   CYS  33           HA       CYS  33  -7.217  -6.430   3.845
  231    HB2  CYS  33           HB2      CYS  33 -10.076  -6.916   4.606
  232    HB3  CYS  33           HB3      CYS  33  -9.111  -7.694   3.355
  233    H    LYS  34           H        LYS  34  -6.945  -3.925   4.178
  234    HA   LYS  34           HA       LYS  34  -9.154  -2.215   4.014
  235    HB2  LYS  34           HB2      LYS  34  -6.469  -1.707   2.733
  236    HB3  LYS  34           HB3      LYS  34  -7.618  -0.515   3.327
  237    HG2  LYS  34           HG2      LYS  34  -7.125  -2.010   5.564
  238    HG3  LYS  34           HG3      LYS  34  -5.558  -2.009   4.750
  239    HD2  LYS  34           HD2      LYS  34  -5.234   0.195   5.106
  240    HD3  LYS  34           HD3      LYS  34  -6.933   0.593   4.839
  241    HE2  LYS  34           HE2      LYS  34  -6.510   1.075   7.108
  242    HE3  LYS  34           HE3      LYS  34  -7.390  -0.453   7.099
  243    HZ1  LYS  34           HZ1      LYS  34  -4.440  -0.192   7.329
  244    HZ2  LYS  34           HZ2      LYS  34  -5.325  -1.631   7.404
  245    HZ3  LYS  34           HZ3      LYS  34  -5.492  -0.471   8.624
  246    H    LYS  35           H        LYS  35  -7.807  -4.339   1.698
  247    HA   LYS  35           HA       LYS  35  -9.026  -2.938  -0.556
  248    HB2  LYS  35           HB2      LYS  35  -6.801  -3.820  -0.926
  249    HB3  LYS  35           HB3      LYS  35  -7.312  -5.425  -0.419
  250    HG2  LYS  35           HG2      LYS  35  -9.044  -4.726  -2.492
  251    HG3  LYS  35           HG3      LYS  35  -7.444  -4.193  -3.013
  252    HD2  LYS  35           HD2      LYS  35  -6.735  -6.293  -3.318
  253    HD3  LYS  35           HD3      LYS  35  -7.407  -6.829  -1.776
  254    HE2  LYS  35           HE2      LYS  35  -8.519  -8.050  -3.485
  255    HE3  LYS  35           HE3      LYS  35  -9.661  -6.852  -2.881
  256    HZ1  LYS  35           HZ1      LYS  35  -9.141  -5.450  -4.778
  257    HZ2  LYS  35           HZ2      LYS  35  -9.693  -6.964  -5.291
  258    HZ3  LYS  35           HZ3      LYS  35  -8.043  -6.599  -5.359
  259    H    THR  36           H        THR  36  -9.087  -6.212   0.859
  260    HA   THR  36           HA       THR  36 -11.141  -7.293  -0.627
  261    HB   THR  36           HB       THR  36 -10.785  -7.817   2.325
  262    HG1  THR  36           HG1      THR  36  -9.417  -9.156   0.227
  263   HG21  THR  36          HG21      THR  36 -12.739  -8.821   1.051
  264   HG22  THR  36          HG22      THR  36 -11.681  -9.963   1.879
  265   HG23  THR  36          HG23      THR  36 -11.545  -9.738   0.135
  266    H    CYS  37           H        CYS  37 -11.304  -4.963   1.951
  267    HA   CYS  37           HA       CYS  37 -14.192  -5.223   2.203
  268    HB2  CYS  37           HB2      CYS  37 -12.184  -3.434   3.583
  269    HB3  CYS  37           HB3      CYS  37 -13.917  -3.378   3.890
  270    H    GLY  38           H        GLY  38 -11.816  -3.164   0.700
  271    HA2  GLY  38           HA2      GLY  38 -12.274  -1.778  -1.153
  272    HA3  GLY  38           HA3      GLY  38 -13.971  -1.766  -0.696
  273    H    LEU  39           H        LEU  39 -10.784  -0.517   0.191
  274    HA   LEU  39           HA       LEU  39 -12.116   1.898   1.209
  275    HB2  LEU  39           HB2      LEU  39  -9.822   0.417   2.481
  276    HB3  LEU  39           HB3      LEU  39 -10.317   2.045   2.938
  277    HG   LEU  39           HG       LEU  39 -12.384  -0.080   3.042
  278   HD11  LEU  39          HD11      LEU  39 -11.288  -1.417   4.426
  279   HD12  LEU  39          HD12      LEU  39 -11.115  -0.075   5.556
  280   HD13  LEU  39          HD13      LEU  39  -9.864  -0.379   4.351
  281   HD21  LEU  39          HD21      LEU  39 -13.194   1.203   4.870
  282   HD22  LEU  39          HD22      LEU  39 -12.747   2.342   3.600
  283   HD23  LEU  39          HD23      LEU  39 -11.685   2.108   4.988
  284    H    CYS  40           H        CYS  40 -10.284   0.751  -1.144
  285    HA   CYS  40           HA       CYS  40  -8.032   2.483  -1.171
  286    HB2  CYS  40           HB2      CYS  40  -9.339   1.238  -3.590
  287    HB3  CYS  40           HB3      CYS  40  -7.652   1.705  -3.394
  Start of MODEL   15
    1    H1   ALA   1           H        ALA   1  -1.677   5.463   4.766
    2    HA   ALA   1           HA       ALA   1   0.669   4.789   3.146
    3    HB1  ALA   1           HB1      ALA   1   0.181   3.707   5.408
    4    HB2  ALA   1           HB2      ALA   1  -1.090   2.816   4.568
    5    HB3  ALA   1           HB3      ALA   1   0.592   2.638   4.066
    6    H    ALA   2           H        ALA   2   0.203   2.614   1.849
    7    HA   ALA   2           HA       ALA   2  -1.665   3.355  -0.197
    8    HB1  ALA   2           HB1      ALA   2  -0.574   0.652  -0.358
    9    HB2  ALA   2           HB2      ALA   2  -0.477   1.986  -1.507
   10    HB3  ALA   2           HB3      ALA   2   0.654   1.901  -0.157
   11    H    CYS   3           H        CYS   3  -3.033   1.439  -1.144
   12    HA   CYS   3           HA       CYS   3  -4.576   0.283   1.086
   13    HB2  CYS   3           HB2      CYS   3  -5.925   1.947   0.028
   14    HB3  CYS   3           HB3      CYS   3  -5.505   1.358  -1.577
   15    H    SER   4           H        SER   4  -4.568  -1.856   1.186
   16    HA   SER   4           HA       SER   4  -4.979  -3.570  -1.001
   17    HB2  SER   4           HB2      SER   4  -2.148  -2.971  -0.304
   18    HB3  SER   4           HB3      SER   4  -2.557  -4.652  -0.646
   19    HG   SER   4           HG       SER   4  -3.206  -4.084  -2.673
   20    H    ASP   5           H        ASP   5  -4.038  -5.924  -0.277
   21    HA   ASP   5           HA       ASP   5  -5.239  -6.341   2.349
   22    HB2  ASP   5           HB2      ASP   5  -4.297  -8.527   0.510
   23    HB3  ASP   5           HB3      ASP   5  -5.572  -8.581   1.725
   24    H    ARG   6           H        ARG   6  -4.135  -6.920   4.119
   25    HA   ARG   6           HA       ARG   6  -1.270  -7.534   3.803
   26    HB2  ARG   6           HB2      ARG   6  -1.275  -6.636   6.290
   27    HB3  ARG   6           HB3      ARG   6  -1.164  -5.536   4.922
   28    HG2  ARG   6           HG2      ARG   6  -3.861  -6.214   5.968
   29    HG3  ARG   6           HG3      ARG   6  -2.843  -5.114   6.901
   30    HD2  ARG   6           HD2      ARG   6  -3.355  -4.729   3.965
   31    HD3  ARG   6           HD3      ARG   6  -4.432  -4.076   5.199
   32    HE   ARG   6           HE       ARG   6  -1.921  -3.018   4.406
   33   HH11  ARG   6          HH11      ARG   6  -3.974  -3.478   7.180
   34   HH12  ARG   6          HH12      ARG   6  -3.337  -2.115   8.040
   35   HH21  ARG   6          HH21      ARG   6  -1.075  -1.222   5.528
   36   HH22  ARG   6          HH22      ARG   6  -1.689  -0.832   7.099
   37    H    ALA   7           H        ALA   7  -4.288  -8.412   5.269
   38    HA   ALA   7           HA       ALA   7  -3.509 -10.094   7.316
   39    HB1  ALA   7           HB1      ALA   7  -5.663 -10.770   7.378
   40    HB2  ALA   7           HB2      ALA   7  -5.882  -9.422   6.260
   41    HB3  ALA   7           HB3      ALA   7  -5.735 -11.067   5.640
   42    H    HIS   8           H        HIS   8  -3.860 -12.579   7.211
   43    HA   HIS   8           HA       HIS   8  -1.742 -13.739   5.876
   44    HB2  HIS   8           HB2      HIS   8  -4.198 -14.779   7.191
   45    HB3  HIS   8           HB3      HIS   8  -3.304 -15.894   6.161
   46    HD1  HIS   8           HD1      HIS   8  -1.743 -17.260   7.483
   47    HD2  HIS   8           HD2      HIS   8  -2.136 -13.434   9.055
   48    HE1  HIS   8           HE1      HIS   8  -0.239 -17.203   9.497
   49    H    GLY   9           H        GLY   9  -4.965 -13.084   4.733
   50    HA2  GLY   9           HA2      GLY   9  -5.066 -12.820   2.256
   51    HA3  GLY   9           HA3      GLY   9  -4.266 -14.383   2.171
   52    H    HIS  10           H        HIS  10  -5.514 -16.118   3.540
   53    HA   HIS  10           HA       HIS  10  -8.049 -16.424   2.290
   54    HB2  HIS  10           HB2      HIS  10  -8.140 -18.552   3.320
   55    HB3  HIS  10           HB3      HIS  10  -6.434 -18.274   2.984
   56    HD1  HIS  10           HD1      HIS  10  -8.481 -19.558   5.538
   57    HD2  HIS  10           HD2      HIS  10  -5.198 -17.012   5.500
   58    HE1  HIS  10           HE1      HIS  10  -7.541 -19.639   7.869
   59    H    ILE  11           H        ILE  11  -7.051 -14.863   5.132
   60    HA   ILE  11           HA       ILE  11  -9.363 -15.245   6.734
   61    HB   ILE  11           HB       ILE  11  -7.365 -12.980   6.774
   62   HG12  ILE  11          HG12      ILE  11  -6.899 -15.625   7.308
   63   HG13  ILE  11          HG13      ILE  11  -5.986 -14.286   7.995
   64   HG21  ILE  11          HG21      ILE  11  -9.498 -13.800   8.733
   65   HG22  ILE  11          HG22      ILE  11  -8.170 -12.712   9.134
   66   HG23  ILE  11          HG23      ILE  11  -9.338 -12.258   7.893
   67   HD11  ILE  11          HD11      ILE  11  -6.762 -16.002   9.632
   68   HD12  ILE  11          HD12      ILE  11  -7.254 -14.348   9.999
   69   HD13  ILE  11          HD13      ILE  11  -8.414 -15.479   9.301
   70    H    CYS  12           H        CYS  12  -8.363 -12.660   4.512
   71    HA   CYS  12           HA       CYS  12 -10.543 -10.957   4.892
   72    HB2  CYS  12           HB2      CYS  12  -9.083 -11.360   2.278
   73    HB3  CYS  12           HB3      CYS  12  -9.912  -9.908   2.828
   74    H    GLU  13           H        GLU  13 -10.095 -13.604   2.569
   75    HA   GLU  13           HA       GLU  13 -12.661 -13.276   1.367
   76    HB2  GLU  13           HB2      GLU  13 -12.186 -15.448   0.291
   77    HB3  GLU  13           HB3      GLU  13 -10.856 -14.311   0.121
   78    HG2  GLU  13           HG2      GLU  13  -9.748 -15.438   2.051
   79    HG3  GLU  13           HG3      GLU  13 -11.021 -16.655   1.995
   80    H    SER  14           H        SER  14 -11.331 -15.511   3.778
   81    HA   SER  14           HA       SER  14 -13.537 -17.158   4.120
   82    HB2  SER  14           HB2      SER  14 -11.345 -16.287   5.989
   83    HB3  SER  14           HB3      SER  14 -12.628 -17.365   6.537
   84    HG   SER  14           HG       SER  14 -11.333 -18.831   5.737
   85    H    PHE  15           H        PHE  15 -13.025 -13.890   5.147
   86    HA   PHE  15           HA       PHE  15 -15.727 -13.859   6.284
   87    HB2  PHE  15           HB2      PHE  15 -13.280 -12.647   7.586
   88    HB3  PHE  15           HB3      PHE  15 -14.936 -12.368   8.113
   89    HD1  PHE  15           HD1      PHE  15 -16.304 -14.397   8.835
   90    HD2  PHE  15           HD2      PHE  15 -12.072 -14.463   8.385
   91    HE1  PHE  15           HE1      PHE  15 -16.187 -16.397  10.263
   92    HE2  PHE  15           HE2      PHE  15 -11.948 -16.464   9.812
   93    HZ   PHE  15           HZ       PHE  15 -14.008 -17.433  10.753
   94    H    LYS  16           H        LYS  16 -15.006 -13.054   3.724
   95    HA   LYS  16           HA       LYS  16 -14.482 -10.255   3.589
   96    HB2  LYS  16           HB2      LYS  16 -15.202 -10.514   1.199
   97    HB3  LYS  16           HB3      LYS  16 -13.908 -11.597   1.694
   98    HG2  LYS  16           HG2      LYS  16 -15.104 -13.386   1.166
   99    HG3  LYS  16           HG3      LYS  16 -16.484 -12.819   2.110
  100    HD2  LYS  16           HD2      LYS  16 -15.972 -11.488  -0.491
  101    HD3  LYS  16           HD3      LYS  16 -16.589 -13.141  -0.535
  102    HE2  LYS  16           HE2      LYS  16 -18.571 -12.564   0.521
  103    HE3  LYS  16           HE3      LYS  16 -17.886 -11.098   1.223
  104    HZ1  LYS  16           HZ1      LYS  16 -17.706 -10.331  -1.201
  105    HZ2  LYS  16           HZ2      LYS  16 -19.231 -10.313  -0.469
  106    HZ3  LYS  16           HZ3      LYS  16 -18.820 -11.560  -1.536
  107    H    SER  17           H        SER  17 -17.363 -12.214   3.812
  108    HA   SER  17           HA       SER  17 -19.188 -10.135   3.088
  109    HB2  SER  17           HB2      SER  17 -19.404 -12.906   4.156
  110    HB3  SER  17           HB3      SER  17 -20.779 -11.832   4.412
  111    HG   SER  17           HG       SER  17 -20.230 -13.171   2.247
  112    H    PHE  18           H        PHE  18 -17.325 -10.694   5.816
  113    HA   PHE  18           HA       PHE  18 -19.209  -9.344   7.612
  114    HB2  PHE  18           HB2      PHE  18 -16.565 -10.663   8.261
  115    HB3  PHE  18           HB3      PHE  18 -17.729 -10.036   9.424
  116    HD1  PHE  18           HD1      PHE  18 -17.191 -12.627   6.845
  117    HD2  PHE  18           HD2      PHE  18 -19.547 -11.337  10.147
  118    HE1  PHE  18           HE1      PHE  18 -18.303 -14.821   6.905
  119    HE2  PHE  18           HE2      PHE  18 -20.662 -13.529  10.213
  120    HZ   PHE  18           HZ       PHE  18 -20.041 -15.275   8.591
  121    H    CYS  19           H        CYS  19 -17.324  -8.259   5.384
  122    HA   CYS  19           HA       CYS  19 -15.421  -6.600   6.651
  123    HB2  CYS  19           HB2      CYS  19 -16.648  -6.768   3.947
  124    HB3  CYS  19           HB3      CYS  19 -15.871  -5.250   4.382
  125    H    LYS  20           H        LYS  20 -18.827  -6.372   6.307
  126    HA   LYS  20           HA       LYS  20 -18.794  -3.528   7.045
  127    HB2  LYS  20           HB2      LYS  20 -21.105  -3.444   6.348
  128    HB3  LYS  20           HB3      LYS  20 -20.148  -4.179   5.069
  129    HG2  LYS  20           HG2      LYS  20 -21.341  -6.049   5.135
  130    HG3  LYS  20           HG3      LYS  20 -21.191  -6.168   6.890
  131    HD2  LYS  20           HD2      LYS  20 -23.484  -5.948   6.567
  132    HD3  LYS  20           HD3      LYS  20 -22.974  -4.301   6.942
  133    HE2  LYS  20           HE2      LYS  20 -23.637  -3.555   4.948
  134    HE3  LYS  20           HE3      LYS  20 -22.796  -4.857   4.107
  135    HZ1  LYS  20           HZ1      LYS  20 -25.543  -4.878   5.210
  136    HZ2  LYS  20           HZ2      LYS  20 -24.737  -6.298   4.772
  137    HZ3  LYS  20           HZ3      LYS  20 -25.060  -5.115   3.606
  138    H    ASP  21           H        ASP  21 -18.256  -5.868   8.828
  139    HA   ASP  21           HA       ASP  21 -20.534  -6.025  10.586
  140    HB2  ASP  21           HB2      ASP  21 -17.779  -7.182  10.551
  141    HB3  ASP  21           HB3      ASP  21 -18.662  -7.152  12.075
  142    H    SER  22           H        SER  22 -20.813  -5.041  12.546
  143    HA   SER  22           HA       SER  22 -19.365  -2.586  12.960
  144    HB2  SER  22           HB2      SER  22 -21.913  -3.121  13.362
  145    HB3  SER  22           HB3      SER  22 -21.340  -3.649  14.944
  146    HG   SER  22           HG       SER  22 -21.782  -1.518  15.176
  147    H    GLY  23           H        GLY  23 -19.243  -5.807  14.177
  148    HA2  GLY  23           HA2      GLY  23 -17.967  -5.188  16.669
  149    HA3  GLY  23           HA3      GLY  23 -18.087  -6.776  15.925
  150    H    ARG  24           H        ARG  24 -15.810  -6.537  17.053
  151    HA   ARG  24           HA       ARG  24 -13.752  -5.102  15.841
  152    HB2  ARG  24           HB2      ARG  24 -12.229  -6.680  16.900
  153    HB3  ARG  24           HB3      ARG  24 -13.528  -6.252  18.004
  154    HG2  ARG  24           HG2      ARG  24 -14.658  -8.408  17.115
  155    HG3  ARG  24           HG3      ARG  24 -13.028  -8.829  16.583
  156    HD2  ARG  24           HD2      ARG  24 -12.215  -8.958  18.739
  157    HD3  ARG  24           HD3      ARG  24 -13.467  -7.897  19.384
  158    HE   ARG  24           HE       ARG  24 -14.869 -10.061  18.601
  159   HH11  ARG  24          HH11      ARG  24 -12.016  -9.672  20.557
  160   HH12  ARG  24          HH12      ARG  24 -12.335 -11.069  21.532
  161   HH21  ARG  24          HH21      ARG  24 -15.301 -11.902  19.877
  162   HH22  ARG  24          HH22      ARG  24 -14.203 -12.337  21.143
  163    H    ASN  25           H        ASN  25 -15.134  -8.241  15.033
  164    HA   ASN  25           HA       ASN  25 -13.272  -9.194  13.235
  165    HB2  ASN  25           HB2      ASN  25 -16.211  -9.520  13.563
  166    HB3  ASN  25           HB3      ASN  25 -15.507 -10.057  12.040
  167   HD21  ASN  25          HD21      ASN  25 -16.640 -11.951  13.444
  168   HD22  ASN  25          HD22      ASN  25 -15.483 -12.955  14.243
  169    H    GLY  26           H        GLY  26 -15.918  -6.903  12.656
  170    HA2  GLY  26           HA2      GLY  26 -15.454  -6.653   9.862
  171    HA3  GLY  26           HA3      GLY  26 -16.384  -5.545  10.859
  172    H    VAL  27           H        VAL  27 -14.520  -4.613  12.623
  173    HA   VAL  27           HA       VAL  27 -13.235  -2.603  11.174
  174    HB   VAL  27           HB       VAL  27 -12.418  -3.571  13.914
  175   HG11  VAL  27          HG11      VAL  27 -10.955  -1.903  13.800
  176   HG12  VAL  27          HG12      VAL  27 -11.587  -1.395  12.232
  177   HG13  VAL  27          HG13      VAL  27 -12.312  -0.779  13.718
  178   HG21  VAL  27          HG21      VAL  27 -14.771  -3.257  14.010
  179   HG22  VAL  27          HG22      VAL  27 -14.036  -1.821  14.721
  180   HG23  VAL  27          HG23      VAL  27 -14.676  -1.763  13.079
  181    H    LYS  28           H        LYS  28 -11.907  -5.574  12.603
  182    HA   LYS  28           HA       LYS  28  -9.237  -5.133  11.815
  183    HB2  LYS  28           HB2      LYS  28 -10.729  -7.689  12.424
  184    HB3  LYS  28           HB3      LYS  28  -8.992  -7.609  12.161
  185    HG2  LYS  28           HG2      LYS  28 -10.478  -6.138  14.328
  186    HG3  LYS  28           HG3      LYS  28  -9.603  -7.656  14.542
  187    HD2  LYS  28           HD2      LYS  28  -7.540  -6.503  13.759
  188    HD3  LYS  28           HD3      LYS  28  -8.448  -4.990  13.730
  189    HE2  LYS  28           HE2      LYS  28  -7.449  -4.892  15.805
  190    HE3  LYS  28           HE3      LYS  28  -9.012  -5.605  16.198
  191    HZ1  LYS  28           HZ1      LYS  28  -7.605  -7.797  15.726
  192    HZ2  LYS  28           HZ2      LYS  28  -7.706  -7.085  17.257
  193    HZ3  LYS  28           HZ3      LYS  28  -6.359  -6.794  16.276
  194    H    LEU  29           H        LEU  29 -12.008  -6.403  10.136
  195    HA   LEU  29           HA       LEU  29 -10.602  -7.676   8.021
  196    HB2  LEU  29           HB2      LEU  29 -13.410  -6.785   8.476
  197    HB3  LEU  29           HB3      LEU  29 -12.907  -7.229   6.846
  198    HG   LEU  29           HG       LEU  29 -12.613  -9.072   9.208
  199   HD11  LEU  29          HD11      LEU  29 -14.982  -8.455   8.880
  200   HD12  LEU  29          HD12      LEU  29 -14.657 -10.151   8.528
  201   HD13  LEU  29          HD13      LEU  29 -14.866  -9.001   7.207
  202   HD21  LEU  29          HD21      LEU  29 -11.268  -9.372   7.057
  203   HD22  LEU  29          HD22      LEU  29 -12.808  -9.771   6.295
  204   HD23  LEU  29          HD23      LEU  29 -12.204 -10.753   7.630
  205    H    ARG  30           H        ARG  30 -12.171  -4.497   8.311
  206    HA   ARG  30           HA       ARG  30 -11.467  -3.622   5.709
  207    HB2  ARG  30           HB2      ARG  30 -12.199  -2.048   8.184
  208    HB3  ARG  30           HB3      ARG  30 -12.050  -1.360   6.573
  209    HG2  ARG  30           HG2      ARG  30 -13.782  -3.400   6.118
  210    HG3  ARG  30           HG3      ARG  30 -14.216  -2.928   7.762
  211    HD2  ARG  30           HD2      ARG  30 -13.812  -0.612   6.092
  212    HD3  ARG  30           HD3      ARG  30 -15.005  -1.699   5.382
  213    HE   ARG  30           HE       ARG  30 -15.410  -1.165   8.184
  214   HH11  ARG  30          HH11      ARG  30 -16.071  -0.126   4.928
  215   HH12  ARG  30          HH12      ARG  30 -17.508   0.742   5.357
  216   HH21  ARG  30          HH21      ARG  30 -17.300  -0.026   8.762
  217   HH22  ARG  30          HH22      ARG  30 -18.205   0.799   7.539
  218    H    ALA  31           H        ALA  31  -9.670  -3.978   8.570
  219    HA   ALA  31           HA       ALA  31  -7.687  -1.969   7.836
  220    HB1  ALA  31           HB1      ALA  31  -8.358  -2.230  10.198
  221    HB2  ALA  31           HB2      ALA  31  -7.693  -3.864  10.182
  222    HB3  ALA  31           HB3      ALA  31  -6.630  -2.476   9.946
  223    H    ASN  32           H        ASN  32  -7.720  -5.467   8.549
  224    HA   ASN  32           HA       ASN  32  -5.114  -5.852   7.414
  225    HB2  ASN  32           HB2      ASN  32  -7.206  -7.881   8.233
  226    HB3  ASN  32           HB3      ASN  32  -5.528  -8.244   7.837
  227   HD21  ASN  32          HD21      ASN  32  -7.530  -7.996  10.321
  228   HD22  ASN  32          HD22      ASN  32  -6.455  -7.443  11.556
  229    H    CYS  33           H        CYS  33  -8.187  -5.513   6.114
  230    HA   CYS  33           HA       CYS  33  -7.257  -6.559   3.544
  231    HB2  CYS  33           HB2      CYS  33 -10.082  -7.086   4.429
  232    HB3  CYS  33           HB3      CYS  33  -9.176  -7.845   3.123
  233    H    LYS  34           H        LYS  34  -7.052  -4.022   3.804
  234    HA   LYS  34           HA       LYS  34  -9.307  -2.386   3.566
  235    HB2  LYS  34           HB2      LYS  34  -6.627  -1.865   2.278
  236    HB3  LYS  34           HB3      LYS  34  -7.815  -0.674   2.789
  237    HG2  LYS  34           HG2      LYS  34  -7.311  -2.039   5.109
  238    HG3  LYS  34           HG3      LYS  34  -5.733  -2.022   4.317
  239    HD2  LYS  34           HD2      LYS  34  -5.465   0.173   4.671
  240    HD3  LYS  34           HD3      LYS  34  -7.118   0.542   4.175
  241    HE2  LYS  34           HE2      LYS  34  -7.741  -0.506   6.480
  242    HE3  LYS  34           HE3      LYS  34  -6.057  -0.169   6.878
  243    HZ1  LYS  34           HZ1      LYS  34  -6.459   2.006   7.035
  244    HZ2  LYS  34           HZ2      LYS  34  -8.094   1.584   7.127
  245    HZ3  LYS  34           HZ3      LYS  34  -7.422   2.044   5.644
  246    H    LYS  35           H        LYS  35  -7.885  -4.550   1.329
  247    HA   LYS  35           HA       LYS  35  -9.106  -3.274  -0.988
  248    HB2  LYS  35           HB2      LYS  35  -6.800  -4.403  -0.976
  249    HB3  LYS  35           HB3      LYS  35  -7.679  -5.926  -0.964
  250    HG2  LYS  35           HG2      LYS  35  -7.148  -5.505  -3.212
  251    HG3  LYS  35           HG3      LYS  35  -8.861  -5.112  -3.044
  252    HD2  LYS  35           HD2      LYS  35  -7.451  -2.753  -2.455
  253    HD3  LYS  35           HD3      LYS  35  -6.685  -3.439  -3.890
  254    HE2  LYS  35           HE2      LYS  35  -9.273  -3.761  -4.546
  255    HE3  LYS  35           HE3      LYS  35  -9.398  -2.329  -3.525
  256    HZ1  LYS  35           HZ1      LYS  35  -7.333  -2.406  -5.608
  257    HZ2  LYS  35           HZ2      LYS  35  -8.161  -1.080  -4.964
  258    HZ3  LYS  35           HZ3      LYS  35  -8.935  -2.107  -6.063
  259    H    THR  36           H        THR  36  -9.205  -6.490   0.554
  260    HA   THR  36           HA       THR  36 -11.278  -7.597  -0.883
  261    HB   THR  36           HB       THR  36 -10.860  -8.009   2.082
  262    HG1  THR  36           HG1      THR  36  -9.676  -9.574   0.044
  263   HG21  THR  36          HG21      THR  36 -12.229  -9.554  -0.091
  264   HG22  THR  36          HG22      THR  36 -12.807  -9.152   1.526
  265   HG23  THR  36          HG23      THR  36 -11.565 -10.385   1.315
  266    H    CYS  37           H        CYS  37 -11.404  -5.176   1.612
  267    HA   CYS  37           HA       CYS  37 -14.306  -5.379   1.832
  268    HB2  CYS  37           HB2      CYS  37 -12.298  -3.627   3.261
  269    HB3  CYS  37           HB3      CYS  37 -14.034  -3.584   3.552
  270    H    GLY  38           H        GLY  38 -11.846  -3.419   0.354
  271    HA2  GLY  38           HA2      GLY  38 -12.134  -1.925  -1.411
  272    HA3  GLY  38           HA3      GLY  38 -13.872  -2.008  -1.164
  273    H    LEU  39           H        LEU  39 -10.884  -0.537  -0.040
  274    HA   LEU  39           HA       LEU  39 -12.479   1.692   1.027
  275    HB2  LEU  39           HB2      LEU  39 -10.041   0.427   2.262
  276    HB3  LEU  39           HB3      LEU  39 -10.713   1.975   2.773
  277    HG   LEU  39           HG       LEU  39 -12.526  -0.376   2.787
  278   HD11  LEU  39          HD11      LEU  39 -11.439  -1.580   4.301
  279   HD12  LEU  39          HD12      LEU  39 -11.124  -0.158   5.295
  280   HD13  LEU  39          HD13      LEU  39 -10.020  -0.581   3.987
  281   HD21  LEU  39          HD21      LEU  39 -12.946   0.885   5.083
  282   HD22  LEU  39          HD22      LEU  39 -13.647   1.446   3.564
  283   HD23  LEU  39          HD23      LEU  39 -12.190   2.211   4.200
  284    H    CYS  40           H        CYS  40 -10.384   0.766  -1.273
  285    HA   CYS  40           HA       CYS  40  -8.432   2.832  -1.223
  286    HB2  CYS  40           HB2      CYS  40  -9.390   1.348  -3.672
  287    HB3  CYS  40           HB3      CYS  40  -7.814   2.089  -3.407
  Start of MODEL   16
    1    H1   ALA   1           H        ALA   1  -1.053   7.249   1.391
    2    HA   ALA   1           HA       ALA   1  -1.650   5.179   3.401
    3    HB1  ALA   1           HB1      ALA   1  -4.027   5.891   3.118
    4    HB2  ALA   1           HB2      ALA   1  -2.969   7.131   3.792
    5    HB3  ALA   1           HB3      ALA   1  -3.452   7.211   2.098
    6    H    ALA   2           H        ALA   2  -0.672   3.680   1.787
    7    HA   ALA   2           HA       ALA   2  -2.022   3.197  -0.685
    8    HB1  ALA   2           HB1      ALA   2  -0.408   1.650  -1.101
    9    HB2  ALA   2           HB2      ALA   2   0.420   2.577   0.151
   10    HB3  ALA   2           HB3      ALA   2  -0.384   1.062   0.561
   11    H    CYS   3           H        CYS   3  -3.423   1.533  -1.233
   12    HA   CYS   3           HA       CYS   3  -4.770   0.245   1.048
   13    HB2  CYS   3           HB2      CYS   3  -6.289   1.738  -0.042
   14    HB3  CYS   3           HB3      CYS   3  -5.838   1.133  -1.633
   15    H    SER   4           H        SER   4  -4.731  -1.901   1.173
   16    HA   SER   4           HA       SER   4  -4.865  -3.662  -1.017
   17    HB2  SER   4           HB2      SER   4  -2.515  -2.790  -1.316
   18    HB3  SER   4           HB3      SER   4  -2.112  -3.538   0.229
   19    HG   SER   4           HG       SER   4  -1.633  -4.897  -1.561
   20    H    ASP   5           H        ASP   5  -3.764  -5.933  -0.138
   21    HA   ASP   5           HA       ASP   5  -5.123  -6.359   2.428
   22    HB2  ASP   5           HB2      ASP   5  -4.158  -8.580   0.656
   23    HB3  ASP   5           HB3      ASP   5  -5.507  -8.568   1.789
   24    H    ARG   6           H        ARG   6  -4.053  -6.962   4.213
   25    HA   ARG   6           HA       ARG   6  -1.181  -7.566   3.941
   26    HB2  ARG   6           HB2      ARG   6  -1.248  -6.704   6.446
   27    HB3  ARG   6           HB3      ARG   6  -1.092  -5.590   5.094
   28    HG2  ARG   6           HG2      ARG   6  -3.808  -6.276   6.108
   29    HG3  ARG   6           HG3      ARG   6  -2.807  -5.131   7.003
   30    HD2  ARG   6           HD2      ARG   6  -3.024  -4.733   4.077
   31    HD3  ARG   6           HD3      ARG   6  -4.462  -4.393   5.038
   32    HE   ARG   6           HE       ARG   6  -3.310  -2.649   6.107
   33   HH11  ARG   6          HH11      ARG   6  -1.354  -4.269   3.726
   34   HH12  ARG   6          HH12      ARG   6  -0.173  -3.003   3.645
   35   HH21  ARG   6          HH21      ARG   6  -1.762  -0.977   6.010
   36   HH22  ARG   6          HH22      ARG   6  -0.406  -1.132   4.946
   37    H    ALA   7           H        ALA   7  -4.225  -8.526   5.252
   38    HA   ALA   7           HA       ALA   7  -3.485 -10.216   7.324
   39    HB1  ALA   7           HB1      ALA   7  -5.661 -11.141   5.540
   40    HB2  ALA   7           HB2      ALA   7  -5.630 -10.959   7.294
   41    HB3  ALA   7           HB3      ALA   7  -5.834  -9.542   6.264
   42    H    HIS   8           H        HIS   8  -3.970 -12.734   7.064
   43    HA   HIS   8           HA       HIS   8  -1.751 -13.865   5.835
   44    HB2  HIS   8           HB2      HIS   8  -4.284 -14.920   6.983
   45    HB3  HIS   8           HB3      HIS   8  -3.348 -16.010   5.964
   46    HD1  HIS   8           HD1      HIS   8  -1.742 -17.378   7.233
   47    HD2  HIS   8           HD2      HIS   8  -2.440 -13.723   9.082
   48    HE1  HIS   8           HE1      HIS   8  -0.378 -17.421   9.345
   49    H    GLY   9           H        GLY   9  -4.822 -13.003   4.505
   50    HA2  GLY   9           HA2      GLY   9  -4.805 -12.701   2.053
   51    HA3  GLY   9           HA3      GLY   9  -4.029 -14.275   1.956
   52    H    HIS  10           H        HIS  10  -5.412 -15.995   3.287
   53    HA   HIS  10           HA       HIS  10  -7.888 -16.190   1.863
   54    HB2  HIS  10           HB2      HIS  10  -6.527 -17.931   3.912
   55    HB3  HIS  10           HB3      HIS  10  -8.130 -18.308   3.287
   56    HD1  HIS  10           HD1      HIS  10  -4.551 -17.961   2.139
   57    HD2  HIS  10           HD2      HIS  10  -8.169 -19.521   0.822
   58    HE1  HIS  10           HE1      HIS  10  -4.002 -19.271   0.064
   59    H    ILE  11           H        ILE  11  -6.949 -14.902   4.876
   60    HA   ILE  11           HA       ILE  11  -9.305 -15.322   6.373
   61    HB   ILE  11           HB       ILE  11  -7.274 -13.095   6.571
   62   HG12  ILE  11          HG12      ILE  11  -6.855 -15.737   7.014
   63   HG13  ILE  11          HG13      ILE  11  -6.010 -14.455   7.875
   64   HG21  ILE  11          HG21      ILE  11  -8.173 -12.882   8.910
   65   HG22  ILE  11          HG22      ILE  11  -9.256 -12.332   7.632
   66   HG23  ILE  11          HG23      ILE  11  -9.524 -13.895   8.403
   67   HD11  ILE  11          HD11      ILE  11  -7.371 -14.689   9.769
   68   HD12  ILE  11          HD12      ILE  11  -8.564 -15.649   8.893
   69   HD13  ILE  11          HD13      ILE  11  -6.981 -16.333   9.263
   70    H    CYS  12           H        CYS  12  -8.238 -12.568   4.388
   71    HA   CYS  12           HA       CYS  12 -10.445 -10.917   4.790
   72    HB2  CYS  12           HB2      CYS  12  -8.872 -11.145   2.219
   73    HB3  CYS  12           HB3      CYS  12  -9.760  -9.741   2.802
   74    H    GLU  13           H        GLU  13  -9.874 -13.263   2.171
   75    HA   GLU  13           HA       GLU  13 -12.386 -12.904   0.934
   76    HB2  GLU  13           HB2      GLU  13 -11.882 -14.992  -0.258
   77    HB3  GLU  13           HB3      GLU  13 -10.504 -13.901  -0.251
   78    HG2  GLU  13           HG2      GLU  13  -9.592 -15.206   1.679
   79    HG3  GLU  13           HG3      GLU  13 -10.890 -16.369   1.419
   80    H    SER  14           H        SER  14 -11.212 -15.287   3.283
   81    HA   SER  14           HA       SER  14 -13.408 -16.950   3.426
   82    HB2  SER  14           HB2      SER  14 -11.293 -17.376   4.616
   83    HB3  SER  14           HB3      SER  14 -11.654 -16.056   5.728
   84    HG   SER  14           HG       SER  14 -13.413 -18.240   5.368
   85    H    PHE  15           H        PHE  15 -12.864 -13.875   5.092
   86    HA   PHE  15           HA       PHE  15 -15.726 -13.847   5.790
   87    HB2  PHE  15           HB2      PHE  15 -13.493 -12.603   7.408
   88    HB3  PHE  15           HB3      PHE  15 -15.201 -12.653   7.836
   89    HD1  PHE  15           HD2      PHE  15 -12.107 -14.590   7.572
   90    HD2  PHE  15           HD1      PHE  15 -16.210 -14.656   8.702
   91    HE1  PHE  15           HE2      PHE  15 -11.744 -16.718   8.752
   92    HE2  PHE  15           HE1      PHE  15 -15.854 -16.784   9.885
   93    HZ   PHE  15           HZ       PHE  15 -13.619 -17.818   9.910
   94    H    LYS  16           H        LYS  16 -14.926 -12.859   3.383
   95    HA   LYS  16           HA       LYS  16 -14.278 -10.086   3.454
   96    HB2  LYS  16           HB2      LYS  16 -14.944 -10.135   1.045
   97    HB3  LYS  16           HB3      LYS  16 -13.741 -11.342   1.481
   98    HG2  LYS  16           HG2      LYS  16 -15.038 -12.973   0.741
   99    HG3  LYS  16           HG3      LYS  16 -16.366 -12.447   1.778
  100    HD2  LYS  16           HD2      LYS  16 -15.836 -10.880  -0.688
  101    HD3  LYS  16           HD3      LYS  16 -16.563 -12.478  -0.873
  102    HE2  LYS  16           HE2      LYS  16 -18.354 -11.843   0.660
  103    HE3  LYS  16           HE3      LYS  16 -17.620 -10.254   0.872
  104    HZ1  LYS  16           HZ1      LYS  16 -19.452 -10.224  -0.724
  105    HZ2  LYS  16           HZ2      LYS  16 -18.633 -11.335  -1.702
  106    HZ3  LYS  16           HZ3      LYS  16 -17.989  -9.791  -1.455
  107    H    SER  17           H        SER  17 -17.262 -11.919   3.425
  108    HA   SER  17           HA       SER  17 -18.951  -9.670   2.884
  109    HB2  SER  17           HB2      SER  17 -19.653 -11.964   2.336
  110    HB3  SER  17           HB3      SER  17 -19.637 -12.380   4.050
  111    HG   SER  17           HG       SER  17 -21.265 -10.779   4.351
  112    H    PHE  18           H        PHE  18 -17.225 -10.648   5.582
  113    HA   PHE  18           HA       PHE  18 -19.119  -9.535   7.505
  114    HB2  PHE  18           HB2      PHE  18 -16.421 -10.837   7.930
  115    HB3  PHE  18           HB3      PHE  18 -17.510 -10.313   9.210
  116    HD1  PHE  18           HD2      PHE  18 -17.217 -12.635   6.337
  117    HD2  PHE  18           HD1      PHE  18 -19.205 -11.715   9.987
  118    HE1  PHE  18           HE2      PHE  18 -18.331 -14.828   6.279
  119    HE2  PHE  18           HE1      PHE  18 -20.322 -13.907   9.935
  120    HZ   PHE  18           HZ       PHE  18 -19.886 -15.466   8.079
  121    H    CYS  19           H        CYS  19 -17.112  -8.209   5.416
  122    HA   CYS  19           HA       CYS  19 -15.420  -6.547   6.949
  123    HB2  CYS  19           HB2      CYS  19 -16.434  -6.519   4.136
  124    HB3  CYS  19           HB3      CYS  19 -15.631  -5.083   4.763
  125    H    LYS  20           H        LYS  20 -18.782  -6.380   6.135
  126    HA   LYS  20           HA       LYS  20 -18.984  -3.593   6.982
  127    HB2  LYS  20           HB2      LYS  20 -21.397  -3.870   6.356
  128    HB3  LYS  20           HB3      LYS  20 -20.266  -4.123   5.033
  129    HG2  LYS  20           HG2      LYS  20 -21.141  -6.116   4.655
  130    HG3  LYS  20           HG3      LYS  20 -20.722  -6.626   6.291
  131    HD2  LYS  20           HD2      LYS  20 -23.121  -4.913   5.978
  132    HD3  LYS  20           HD3      LYS  20 -23.236  -6.576   5.396
  133    HE2  LYS  20           HE2      LYS  20 -23.432  -7.346   7.473
  134    HE3  LYS  20           HE3      LYS  20 -21.963  -6.509   7.971
  135    HZ1  LYS  20           HZ1      LYS  20 -23.973  -5.844   9.222
  136    HZ2  LYS  20           HZ2      LYS  20 -24.629  -5.218   7.794
  137    HZ3  LYS  20           HZ3      LYS  20 -23.215  -4.550   8.440
  138    H    ASP  21           H        ASP  21 -18.394  -5.995   8.758
  139    HA   ASP  21           HA       ASP  21 -20.693  -6.191  10.481
  140    HB2  ASP  21           HB2      ASP  21 -18.911  -7.997  10.083
  141    HB3  ASP  21           HB3      ASP  21 -17.896  -7.064  11.180
  142    H    SER  22           H        SER  22 -21.059  -5.168  12.387
  143    HA   SER  22           HA       SER  22 -19.582  -2.744  12.880
  144    HB2  SER  22           HB2      SER  22 -21.266  -2.611  14.850
  145    HB3  SER  22           HB3      SER  22 -21.886  -2.473  13.205
  146    HG   SER  22           HG       SER  22 -22.320  -4.417  15.087
  147    H    GLY  23           H        GLY  23 -19.379  -5.959  13.929
  148    HA2  GLY  23           HA2      GLY  23 -18.301  -5.379  16.551
  149    HA3  GLY  23           HA3      GLY  23 -18.408  -6.959  15.791
  150    H    ARG  24           H        ARG  24 -16.184  -6.782  17.015
  151    HA   ARG  24           HA       ARG  24 -14.048  -5.361  15.941
  152    HB2  ARG  24           HB2      ARG  24 -13.857  -8.145  17.092
  153    HB3  ARG  24           HB3      ARG  24 -12.610  -6.905  17.076
  154    HG2  ARG  24           HG2      ARG  24 -14.657  -5.661  18.402
  155    HG3  ARG  24           HG3      ARG  24 -14.802  -7.334  18.945
  156    HD2  ARG  24           HD2      ARG  24 -12.824  -7.289  20.049
  157    HD3  ARG  24           HD3      ARG  24 -12.074  -6.204  18.879
  158    HE   ARG  24           HE       ARG  24 -12.716  -4.427  20.170
  159   HH11  ARG  24          HH11      ARG  24 -14.497  -7.252  21.152
  160   HH12  ARG  24          HH12      ARG  24 -15.199  -6.488  22.539
  161   HH21  ARG  24          HH21      ARG  24 -13.633  -3.409  21.993
  162   HH22  ARG  24          HH22      ARG  24 -14.708  -4.301  23.017
  163    H    ASN  25           H        ASN  25 -15.492  -8.404  14.934
  164    HA   ASN  25           HA       ASN  25 -13.559  -9.363  13.207
  165    HB2  ASN  25           HB2      ASN  25 -16.507  -9.472  12.581
  166    HB3  ASN  25           HB3      ASN  25 -15.267 -10.656  12.182
  167   HD21  ASN  25          HD21      ASN  25 -17.850 -10.367  13.963
  168   HD22  ASN  25          HD22      ASN  25 -17.410 -11.263  15.373
  169    H    GLY  26           H        GLY  26 -16.126  -6.998  12.554
  170    HA2  GLY  26           HA2      GLY  26 -15.494  -6.653   9.809
  171    HA3  GLY  26           HA3      GLY  26 -16.447  -5.554  10.795
  172    H    VAL  27           H        VAL  27 -14.670  -4.725  12.685
  173    HA   VAL  27           HA       VAL  27 -13.243  -2.715  11.372
  174    HB   VAL  27           HB       VAL  27 -12.683  -3.785  14.140
  175   HG11  VAL  27          HG11      VAL  27 -12.313  -1.048  14.120
  176   HG12  VAL  27          HG12      VAL  27 -11.043  -2.273  14.092
  177   HG13  VAL  27          HG13      VAL  27 -11.629  -1.573  12.582
  178   HG21  VAL  27          HG21      VAL  27 -14.240  -2.007  14.894
  179   HG22  VAL  27          HG22      VAL  27 -14.675  -1.720  13.209
  180   HG23  VAL  27          HG23      VAL  27 -15.031  -3.276  13.958
  181    H    LYS  28           H        LYS  28 -12.097  -5.762  12.793
  182    HA   LYS  28           HA       LYS  28  -9.369  -5.374  12.183
  183    HB2  LYS  28           HB2      LYS  28 -10.972  -7.884  12.681
  184    HB3  LYS  28           HB3      LYS  28  -9.225  -7.876  12.481
  185    HG2  LYS  28           HG2      LYS  28  -8.855  -6.918  14.513
  186    HG3  LYS  28           HG3      LYS  28 -10.397  -6.060  14.514
  187    HD2  LYS  28           HD2      LYS  28 -11.506  -7.789  15.455
  188    HD3  LYS  28           HD3      LYS  28 -10.576  -9.001  14.571
  189    HE2  LYS  28           HE2      LYS  28  -8.756  -8.829  16.096
  190    HE3  LYS  28           HE3      LYS  28  -9.455  -7.405  16.865
  191    HZ1  LYS  28           HZ1      LYS  28 -10.869  -9.998  16.867
  192    HZ2  LYS  28           HZ2      LYS  28 -11.091  -8.674  17.895
  193    HZ3  LYS  28           HZ3      LYS  28  -9.706  -9.634  18.041
  194    H    LEU  29           H        LEU  29 -12.069  -6.450  10.299
  195    HA   LEU  29           HA       LEU  29 -10.566  -7.751   8.250
  196    HB2  LEU  29           HB2      LEU  29 -13.380  -6.822   8.569
  197    HB3  LEU  29           HB3      LEU  29 -12.795  -7.234   6.959
  198    HG   LEU  29           HG       LEU  29 -12.647  -9.145   9.280
  199   HD11  LEU  29          HD11      LEU  29 -14.996  -8.395   8.785
  200   HD12  LEU  29          HD12      LEU  29 -14.694 -10.123   8.599
  201   HD13  LEU  29          HD13      LEU  29 -14.796  -9.087   7.175
  202   HD21  LEU  29          HD21      LEU  29 -11.222  -9.414   7.178
  203   HD22  LEU  29          HD22      LEU  29 -12.736  -9.753   6.340
  204   HD23  LEU  29          HD23      LEU  29 -12.211 -10.789   7.668
  205    H    ARG  30           H        ARG  30 -12.003  -4.527   8.598
  206    HA   ARG  30           HA       ARG  30 -11.222  -3.599   6.036
  207    HB2  ARG  30           HB2      ARG  30 -11.934  -2.101   8.562
  208    HB3  ARG  30           HB3      ARG  30 -11.678  -1.333   7.001
  209    HG2  ARG  30           HG2      ARG  30 -13.512  -3.270   6.399
  210    HG3  ARG  30           HG3      ARG  30 -13.993  -2.778   8.025
  211    HD2  ARG  30           HD2      ARG  30 -13.344  -0.480   6.415
  212    HD3  ARG  30           HD3      ARG  30 -14.555  -1.477   5.612
  213    HE   ARG  30           HE       ARG  30 -15.101  -0.950   8.393
  214   HH11  ARG  30          HH11      ARG  30 -15.501   0.148   5.113
  215   HH12  ARG  30          HH12      ARG  30 -16.908   1.096   5.464
  216   HH21  ARG  30          HH21      ARG  30 -16.953   0.293   8.867
  217   HH22  ARG  30          HH22      ARG  30 -17.733   1.178   7.600
  218    H    ALA  31           H        ALA  31  -9.515  -4.071   8.959
  219    HA   ALA  31           HA       ALA  31  -7.428  -2.149   8.347
  220    HB1  ALA  31           HB1      ALA  31  -7.472  -4.233  10.524
  221    HB2  ALA  31           HB2      ALA  31  -6.421  -2.820  10.416
  222    HB3  ALA  31           HB3      ALA  31  -8.152  -2.613  10.682
  223    H    ASN  32           H        ASN  32  -7.589  -5.689   8.784
  224    HA   ASN  32           HA       ASN  32  -4.997  -6.073   7.613
  225    HB2  ASN  32           HB2      ASN  32  -7.137  -8.115   8.252
  226    HB3  ASN  32           HB3      ASN  32  -5.447  -8.459   7.898
  227   HD21  ASN  32          HD21      ASN  32  -7.551  -8.357  10.313
  228   HD22  ASN  32          HD22      ASN  32  -6.523  -7.903  11.624
  229    H    CYS  33           H        CYS  33  -8.070  -5.553   6.364
  230    HA   CYS  33           HA       CYS  33  -7.180  -6.426   3.716
  231    HB2  CYS  33           HB2      CYS  33 -10.021  -6.945   4.529
  232    HB3  CYS  33           HB3      CYS  33  -9.089  -7.673   3.224
  233    H    LYS  34           H        LYS  34  -6.882  -3.955   4.020
  234    HA   LYS  34           HA       LYS  34  -9.109  -2.237   3.976
  235    HB2  LYS  34           HB2      LYS  34  -6.466  -1.664   2.643
  236    HB3  LYS  34           HB3      LYS  34  -7.593  -0.513   3.350
  237    HG2  LYS  34           HG2      LYS  34  -7.006  -2.112   5.483
  238    HG3  LYS  34           HG3      LYS  34  -5.476  -2.084   4.603
  239    HD2  LYS  34           HD2      LYS  34  -5.117   0.101   5.044
  240    HD3  LYS  34           HD3      LYS  34  -6.823   0.520   4.877
  241    HE2  LYS  34           HE2      LYS  34  -6.252   0.889   7.148
  242    HE3  LYS  34           HE3      LYS  34  -7.200  -0.596   7.102
  243    HZ1  LYS  34           HZ1      LYS  34  -4.234  -0.522   7.157
  244    HZ2  LYS  34           HZ2      LYS  34  -5.220  -1.888   7.303
  245    HZ3  LYS  34           HZ3      LYS  34  -5.202  -0.724   8.530
  246    H    LYS  35           H        LYS  35  -7.803  -4.305   1.592
  247    HA   LYS  35           HA       LYS  35  -9.070  -2.851  -0.605
  248    HB2  LYS  35           HB2      LYS  35  -6.841  -3.683  -1.045
  249    HB3  LYS  35           HB3      LYS  35  -7.311  -5.309  -0.566
  250    HG2  LYS  35           HG2      LYS  35  -9.098  -4.593  -2.587
  251    HG3  LYS  35           HG3      LYS  35  -7.517  -4.023  -3.128
  252    HD2  LYS  35           HD2      LYS  35  -6.782  -6.103  -3.494
  253    HD3  LYS  35           HD3      LYS  35  -7.414  -6.684  -1.951
  254    HE2  LYS  35           HE2      LYS  35  -9.623  -6.925  -2.914
  255    HE3  LYS  35           HE3      LYS  35  -9.062  -6.243  -4.440
  256    HZ1  LYS  35           HZ1      LYS  35  -8.499  -8.272  -5.073
  257    HZ2  LYS  35           HZ2      LYS  35  -8.975  -8.916  -3.584
  258    HZ3  LYS  35           HZ3      LYS  35  -7.387  -8.377  -3.803
  259    H    THR  36           H        THR  36  -9.053  -6.166   0.710
  260    HA   THR  36           HA       THR  36 -11.111  -7.244  -0.767
  261    HB   THR  36           HB       THR  36 -10.737  -7.831   2.169
  262    HG1  THR  36           HG1      THR  36  -9.251  -8.830  -0.052
  263   HG21  THR  36          HG21      THR  36 -11.620  -9.951   1.698
  264   HG22  THR  36          HG22      THR  36 -11.378  -9.765  -0.039
  265   HG23  THR  36          HG23      THR  36 -12.642  -8.848   0.779
  266    H    CYS  37           H        CYS  37 -11.283  -5.002   1.897
  267    HA   CYS  37           HA       CYS  37 -14.160  -5.306   2.169
  268    HB2  CYS  37           HB2      CYS  37 -12.166  -3.503   3.551
  269    HB3  CYS  37           HB3      CYS  37 -13.895  -3.488   3.886
  270    H    GLY  38           H        GLY  38 -11.842  -3.154   0.694
  271    HA2  GLY  38           HA2      GLY  38 -12.357  -1.751  -1.136
  272    HA3  GLY  38           HA3      GLY  38 -14.046  -1.776  -0.649
  273    H    LEU  39           H        LEU  39 -10.865  -0.483   0.190
  274    HA   LEU  39           HA       LEU  39 -12.219   1.882   1.292
  275    HB2  LEU  39           HB2      LEU  39  -9.863   0.424   2.472
  276    HB3  LEU  39           HB3      LEU  39 -10.377   2.033   2.975
  277    HG   LEU  39           HG       LEU  39 -12.389  -0.148   3.091
  278   HD11  LEU  39          HD11      LEU  39  -9.840  -0.416   4.319
  279   HD12  LEU  39          HD12      LEU  39 -11.254  -1.458   4.469
  280   HD13  LEU  39          HD13      LEU  39 -11.037  -0.104   5.577
  281   HD21  LEU  39          HD21      LEU  39 -11.716   2.037   5.050
  282   HD22  LEU  39          HD22      LEU  39 -13.202   1.093   4.946
  283   HD23  LEU  39          HD23      LEU  39 -12.808   2.260   3.683
  284    H    CYS  40           H        CYS  40 -10.377   0.790  -1.106
  285    HA   CYS  40           HA       CYS  40  -8.196   2.613  -1.153
  286    HB2  CYS  40           HB2      CYS  40  -9.468   1.303  -3.557
  287    HB3  CYS  40           HB3      CYS  40  -7.802   1.843  -3.378
  Start of MODEL   17
    1    H1   ALA   1           H        ALA   1  -0.977   5.805   5.013
    2    HA   ALA   1           HA       ALA   1   0.812   4.071   3.704
    3    HB1  ALA   1           HB1      ALA   1  -1.214   2.504   4.870
    4    HB2  ALA   1           HB2      ALA   1   0.367   2.908   5.540
    5    HB3  ALA   1           HB3      ALA   1  -1.027   3.931   5.890
    6    H    ALA   2           H        ALA   2   0.519   2.492   2.159
    7    HA   ALA   2           HA       ALA   2  -1.370   3.004   0.127
    8    HB1  ALA   2           HB1      ALA   2   0.712   0.958   0.626
    9    HB2  ALA   2           HB2      ALA   2  -0.541   0.566  -0.553
   10    HB3  ALA   2           HB3      ALA   2   0.458   2.003  -0.772
   11    H    CYS   3           H        CYS   3  -3.054   1.620  -0.665
   12    HA   CYS   3           HA       CYS   3  -4.462   0.245   1.512
   13    HB2  CYS   3           HB2      CYS   3  -5.791   1.985   0.563
   14    HB3  CYS   3           HB3      CYS   3  -5.424   1.460  -1.077
   15    H    SER   4           H        SER   4  -4.535  -1.895   1.528
   16    HA   SER   4           HA       SER   4  -5.038  -3.501  -0.725
   17    HB2  SER   4           HB2      SER   4  -2.642  -2.825  -1.188
   18    HB3  SER   4           HB3      SER   4  -2.188  -3.730   0.256
   19    HG   SER   4           HG       SER   4  -3.040  -4.643  -2.226
   20    H    ASP   5           H        ASP   5  -4.030  -5.909  -0.053
   21    HA   ASP   5           HA       ASP   5  -5.331  -6.412   2.513
   22    HB2  ASP   5           HB2      ASP   5  -4.320  -8.514   0.607
   23    HB3  ASP   5           HB3      ASP   5  -5.589  -8.655   1.820
   24    H    ARG   6           H        ARG   6  -4.277  -7.014   4.302
   25    HA   ARG   6           HA       ARG   6  -1.405  -7.631   4.061
   26    HB2  ARG   6           HB2      ARG   6  -1.500  -6.762   6.567
   27    HB3  ARG   6           HB3      ARG   6  -1.298  -5.659   5.213
   28    HG2  ARG   6           HG2      ARG   6  -4.045  -6.291   6.180
   29    HG3  ARG   6           HG3      ARG   6  -3.040  -5.157   7.085
   30    HD2  ARG   6           HD2      ARG   6  -3.206  -4.781   4.151
   31    HD3  ARG   6           HD3      ARG   6  -4.646  -4.397   5.094
   32    HE   ARG   6           HE       ARG   6  -3.462  -2.672   6.159
   33   HH11  ARG   6          HH11      ARG   6  -1.523  -4.359   3.811
   34   HH12  ARG   6          HH12      ARG   6  -0.312  -3.124   3.731
   35   HH21  ARG   6          HH21      ARG   6  -1.874  -1.038   6.063
   36   HH22  ARG   6          HH22      ARG   6  -0.511  -1.235   5.013
   37    H    ALA   7           H        ALA   7  -4.471  -8.548   5.362
   38    HA   ALA   7           HA       ALA   7  -3.808 -10.222   7.451
   39    HB1  ALA   7           HB1      ALA   7  -5.933 -11.031   7.316
   40    HB2  ALA   7           HB2      ALA   7  -6.114  -9.591   6.314
   41    HB3  ALA   7           HB3      ALA   7  -5.889 -11.169   5.558
   42    H    HIS   8           H        HIS   8  -4.035 -12.697   7.358
   43    HA   HIS   8           HA       HIS   8  -1.816 -13.784   6.106
   44    HB2  HIS   8           HB2      HIS   8  -4.240 -14.903   7.415
   45    HB3  HIS   8           HB3      HIS   8  -3.279 -16.002   6.430
   46    HD1  HIS   8           HD1      HIS   8  -3.419 -14.445   9.729
   47    HD2  HIS   8           HD2      HIS   8  -0.523 -16.232   7.345
   48    HE1  HIS   8           HE1      HIS   8  -1.507 -14.974  11.275
   49    H    GLY   9           H        GLY   9  -5.017 -13.258   4.872
   50    HA2  GLY   9           HA2      GLY   9  -5.063 -13.094   2.385
   51    HA3  GLY   9           HA3      GLY   9  -4.240 -14.646   2.380
   52    H    HIS  10           H        HIS  10  -5.577 -16.195   4.069
   53    HA   HIS  10           HA       HIS  10  -8.070 -16.626   2.690
   54    HB2  HIS  10           HB2      HIS  10  -6.431 -18.135   4.673
   55    HB3  HIS  10           HB3      HIS  10  -8.142 -18.531   4.543
   56    HD1  HIS  10           HD1      HIS  10  -6.051 -17.588   1.562
   57    HD2  HIS  10           HD2      HIS  10  -7.754 -20.964   3.283
   58    HE1  HIS  10           HE1      HIS  10  -5.794 -19.416  -0.146
   59    H    ILE  11           H        ILE  11  -7.221 -14.663   5.181
   60    HA   ILE  11           HA       ILE  11  -9.489 -15.102   6.906
   61    HB   ILE  11           HB       ILE  11  -7.536 -12.798   6.839
   62   HG12  ILE  11          HG12      ILE  11  -6.800 -15.280   7.366
   63   HG13  ILE  11          HG13      ILE  11  -6.196 -13.936   8.329
   64   HG21  ILE  11          HG21      ILE  11  -9.450 -12.028   7.961
   65   HG22  ILE  11          HG22      ILE  11  -9.700 -13.575   8.770
   66   HG23  ILE  11          HG23      ILE  11  -8.349 -12.543   9.239
   67   HD11  ILE  11          HD11      ILE  11  -6.942 -15.935   9.625
   68   HD12  ILE  11          HD12      ILE  11  -7.710 -14.417  10.090
   69   HD13  ILE  11          HD13      ILE  11  -8.588 -15.582   9.099
   70    H    CYS  12           H        CYS  12  -8.555 -12.792   4.402
   71    HA   CYS  12           HA       CYS  12 -10.798 -11.082   4.720
   72    HB2  CYS  12           HB2      CYS  12  -9.233 -11.456   2.169
   73    HB3  CYS  12           HB3      CYS  12 -10.079 -10.014   2.721
   74    H    GLU  13           H        GLU  13 -10.086 -13.730   2.459
   75    HA   GLU  13           HA       GLU  13 -12.530 -13.571   1.050
   76    HB2  GLU  13           HB2      GLU  13 -10.316 -15.539   1.272
   77    HB3  GLU  13           HB3      GLU  13 -11.852 -16.132   0.654
   78    HG2  GLU  13           HG2      GLU  13 -11.802 -14.342  -1.055
   79    HG3  GLU  13           HG3      GLU  13 -10.201 -13.885  -0.475
   80    H    SER  14           H        SER  14 -11.457 -15.741   3.660
   81    HA   SER  14           HA       SER  14 -13.825 -17.200   3.911
   82    HB2  SER  14           HB2      SER  14 -11.700 -16.527   5.954
   83    HB3  SER  14           HB3      SER  14 -13.014 -17.665   6.255
   84    HG   SER  14           HG       SER  14 -10.867 -18.455   5.395
   85    H    PHE  15           H        PHE  15 -12.989 -14.016   5.003
   86    HA   PHE  15           HA       PHE  15 -15.634 -13.797   6.281
   87    HB2  PHE  15           HB2      PHE  15 -13.027 -12.523   7.126
   88    HB3  PHE  15           HB3      PHE  15 -14.597 -12.047   7.764
   89    HD1  PHE  15           HD2      PHE  15 -16.021 -13.934   8.824
   90    HD2  PHE  15           HD1      PHE  15 -11.824 -14.193   8.168
   91    HE1  PHE  15           HE2      PHE  15 -15.868 -15.705  10.525
   92    HE2  PHE  15           HE1      PHE  15 -11.663 -15.965   9.868
   93    HZ   PHE  15           HZ       PHE  15 -13.687 -16.722  11.050
   94    H    LYS  16           H        LYS  16 -15.189 -13.313   3.562
   95    HA   LYS  16           HA       LYS  16 -14.704 -10.572   3.007
   96    HB2  LYS  16           HB2      LYS  16 -14.440 -11.760   1.083
   97    HB3  LYS  16           HB3      LYS  16 -15.681 -12.931   1.510
   98    HG2  LYS  16           HG2      LYS  16 -16.339 -11.656  -0.440
   99    HG3  LYS  16           HG3      LYS  16 -17.414 -11.312   0.917
  100    HD2  LYS  16           HD2      LYS  16 -16.994  -9.146   0.633
  101    HD3  LYS  16           HD3      LYS  16 -15.316  -9.450   1.088
  102    HE2  LYS  16           HE2      LYS  16 -14.596  -9.518  -1.093
  103    HE3  LYS  16           HE3      LYS  16 -16.172 -10.012  -1.711
  104    HZ1  LYS  16           HZ1      LYS  16 -15.095  -7.383  -1.370
  105    HZ2  LYS  16           HZ2      LYS  16 -16.620  -7.541  -0.656
  106    HZ3  LYS  16           HZ3      LYS  16 -16.415  -7.895  -2.297
  107    H    SER  17           H        SER  17 -17.664 -12.473   3.445
  108    HA   SER  17           HA       SER  17 -19.399 -10.237   2.999
  109    HB2  SER  17           HB2      SER  17 -19.731 -13.087   3.789
  110    HB3  SER  17           HB3      SER  17 -21.031 -11.974   4.215
  111    HG   SER  17           HG       SER  17 -20.799 -13.121   1.959
  112    H    PHE  18           H        PHE  18 -17.382 -10.983   5.496
  113    HA   PHE  18           HA       PHE  18 -19.145  -9.964   7.595
  114    HB2  PHE  18           HB2      PHE  18 -16.363 -11.142   7.714
  115    HB3  PHE  18           HB3      PHE  18 -17.248 -10.549   9.116
  116    HD1  PHE  18           HD2      PHE  18 -17.496 -12.989   6.322
  117    HD2  PHE  18           HD1      PHE  18 -18.634 -11.977  10.296
  118    HE1  PHE  18           HE2      PHE  18 -18.558 -15.194   6.576
  119    HE2  PHE  18           HE1      PHE  18 -19.697 -14.180  10.557
  120    HZ   PHE  18           HZ       PHE  18 -19.661 -15.792   8.695
  121    H    CYS  19           H        CYS  19 -17.290  -8.655   5.284
  122    HA   CYS  19           HA       CYS  19 -15.642  -6.811   6.622
  123    HB2  CYS  19           HB2      CYS  19 -16.773  -7.066   3.886
  124    HB3  CYS  19           HB3      CYS  19 -16.191  -5.474   4.362
  125    H    LYS  20           H        LYS  20 -19.040  -6.951   6.236
  126    HA   LYS  20           HA       LYS  20 -19.338  -4.123   6.974
  127    HB2  LYS  20           HB2      LYS  20 -21.754  -4.492   6.418
  128    HB3  LYS  20           HB3      LYS  20 -20.655  -4.697   5.060
  129    HG2  LYS  20           HG2      LYS  20 -21.465  -6.720   4.699
  130    HG3  LYS  20           HG3      LYS  20 -20.974  -7.220   6.319
  131    HD2  LYS  20           HD2      LYS  20 -23.416  -5.585   6.202
  132    HD3  LYS  20           HD3      LYS  20 -23.540  -7.172   5.438
  133    HE2  LYS  20           HE2      LYS  20 -23.414  -8.266   7.403
  134    HE3  LYS  20           HE3      LYS  20 -22.215  -7.154   8.061
  135    HZ1  LYS  20           HZ1      LYS  20 -24.245  -5.546   8.129
  136    HZ2  LYS  20           HZ2      LYS  20 -24.019  -6.684   9.359
  137    HZ3  LYS  20           HZ3      LYS  20 -25.143  -6.980   8.130
  138    H    ASP  21           H        ASP  21 -18.524  -6.369   8.769
  139    HA   ASP  21           HA       ASP  21 -20.764  -6.793  10.530
  140    HB2  ASP  21           HB2      ASP  21 -17.887  -7.601  10.500
  141    HB3  ASP  21           HB3      ASP  21 -18.767  -7.670  12.025
  142    H    SER  22           H        SER  22 -21.295  -5.684  12.319
  143    HA   SER  22           HA       SER  22 -19.992  -3.158  12.795
  144    HB2  SER  22           HB2      SER  22 -22.527  -3.676  12.924
  145    HB3  SER  22           HB3      SER  22 -22.164  -4.319  14.526
  146    HG   SER  22           HG       SER  22 -22.117  -2.348  15.217
  147    H    GLY  23           H        GLY  23 -19.273  -6.217  13.727
  148    HA2  GLY  23           HA2      GLY  23 -18.440  -5.491  16.446
  149    HA3  GLY  23           HA3      GLY  23 -18.491  -7.118  15.785
  150    H    ARG  24           H        ARG  24 -16.294  -6.884  16.981
  151    HA   ARG  24           HA       ARG  24 -14.172  -5.439  15.924
  152    HB2  ARG  24           HB2      ARG  24 -13.967  -8.221  17.083
  153    HB3  ARG  24           HB3      ARG  24 -12.717  -6.985  17.054
  154    HG2  ARG  24           HG2      ARG  24 -14.927  -5.843  18.359
  155    HG3  ARG  24           HG3      ARG  24 -14.736  -7.470  19.015
  156    HD2  ARG  24           HD2      ARG  24 -12.741  -6.994  19.975
  157    HD3  ARG  24           HD3      ARG  24 -12.261  -5.896  18.682
  158    HE   ARG  24           HE       ARG  24 -14.379  -4.861  20.314
  159   HH11  ARG  24          HH11      ARG  24 -10.930  -5.234  20.030
  160   HH12  ARG  24          HH12      ARG  24 -10.568  -3.867  21.031
  161   HH21  ARG  24          HH21      ARG  24 -13.916  -3.059  21.634
  162   HH22  ARG  24          HH22      ARG  24 -12.268  -2.631  21.943
  163    H    ASN  25           H        ASN  25 -15.460  -8.586  14.966
  164    HA   ASN  25           HA       ASN  25 -13.506  -9.438  13.218
  165    HB2  ASN  25           HB2      ASN  25 -16.447  -9.844  13.414
  166    HB3  ASN  25           HB3      ASN  25 -15.668 -10.320  11.908
  167   HD21  ASN  25          HD21      ASN  25 -16.933 -12.077  13.706
  168   HD22  ASN  25          HD22      ASN  25 -15.736 -13.154  14.332
  169    H    GLY  26           H        GLY  26 -16.147  -7.155  12.623
  170    HA2  GLY  26           HA2      GLY  26 -15.625  -6.830   9.849
  171    HA3  GLY  26           HA3      GLY  26 -16.571  -5.745  10.857
  172    H    VAL  27           H        VAL  27 -14.743  -4.864  12.681
  173    HA   VAL  27           HA       VAL  27 -13.419  -2.824  11.310
  174    HB   VAL  27           HB       VAL  27 -12.674  -3.864  14.044
  175   HG11  VAL  27          HG11      VAL  27 -12.514  -1.088  13.966
  176   HG12  VAL  27          HG12      VAL  27 -11.167  -2.228  13.956
  177   HG13  VAL  27          HG13      VAL  27 -11.822  -1.622  12.435
  178   HG21  VAL  27          HG21      VAL  27 -15.022  -3.527  14.100
  179   HG22  VAL  27          HG22      VAL  27 -14.293  -2.104  14.846
  180   HG23  VAL  27          HG23      VAL  27 -14.896  -2.021  13.191
  181    H    LYS  28           H        LYS  28 -12.133  -5.833  12.697
  182    HA   LYS  28           HA       LYS  28  -9.445  -5.382  11.975
  183    HB2  LYS  28           HB2      LYS  28 -10.955  -7.946  12.499
  184    HB3  LYS  28           HB3      LYS  28  -9.213  -7.866  12.275
  185    HG2  LYS  28           HG2      LYS  28 -10.719  -6.401  14.431
  186    HG3  LYS  28           HG3      LYS  28  -9.915  -7.958  14.646
  187    HD2  LYS  28           HD2      LYS  28  -7.810  -6.776  13.790
  188    HD3  LYS  28           HD3      LYS  28  -8.691  -5.274  14.078
  189    HE2  LYS  28           HE2      LYS  28  -7.885  -5.398  16.159
  190    HE3  LYS  28           HE3      LYS  28  -9.090  -6.660  16.410
  191    HZ1  LYS  28           HZ1      LYS  28  -6.352  -7.215  15.420
  192    HZ2  LYS  28           HZ2      LYS  28  -7.493  -8.329  15.982
  193    HZ3  LYS  28           HZ3      LYS  28  -6.763  -7.250  17.061
  194    H    LEU  29           H        LEU  29 -12.186  -6.579  10.206
  195    HA   LEU  29           HA       LEU  29 -10.735  -7.818   8.094
  196    HB2  LEU  29           HB2      LEU  29 -13.553  -6.946   8.517
  197    HB3  LEU  29           HB3      LEU  29 -13.020  -7.348   6.886
  198    HG   LEU  29           HG       LEU  29 -12.758  -9.250   9.206
  199   HD11  LEU  29          HD11      LEU  29 -14.803 -10.260   8.613
  200   HD12  LEU  29          HD12      LEU  29 -14.954  -9.281   7.154
  201   HD13  LEU  29          HD13      LEU  29 -15.138  -8.534   8.741
  202   HD21  LEU  29          HD21      LEU  29 -13.007 -10.042   6.350
  203   HD22  LEU  29          HD22      LEU  29 -12.142 -10.828   7.671
  204   HD23  LEU  29          HD23      LEU  29 -11.469  -9.386   6.910
  205    H    ARG  30           H        ARG  30 -12.294  -4.644   8.445
  206    HA   ARG  30           HA       ARG  30 -11.565  -3.706   5.872
  207    HB2  ARG  30           HB2      ARG  30 -12.315  -2.199   8.383
  208    HB3  ARG  30           HB3      ARG  30 -12.136  -1.461   6.797
  209    HG2  ARG  30           HG2      ARG  30 -13.879  -3.477   6.258
  210    HG3  ARG  30           HG3      ARG  30 -14.336  -3.038   7.905
  211    HD2  ARG  30           HD2      ARG  30 -13.880  -0.687   6.299
  212    HD3  ARG  30           HD3      ARG  30 -15.066  -1.746   5.537
  213    HE   ARG  30           HE       ARG  30 -15.526  -1.276   8.342
  214   HH11  ARG  30          HH11      ARG  30 -16.115  -0.161   5.097
  215   HH12  ARG  30          HH12      ARG  30 -17.555   0.706   5.517
  216   HH21  ARG  30          HH21      ARG  30 -17.421  -0.139   8.907
  217   HH22  ARG  30          HH22      ARG  30 -18.297   0.718   7.684
  218    H    ALA  31           H        ALA  31  -9.794  -4.146   8.737
  219    HA   ALA  31           HA       ALA  31  -7.786  -2.141   8.049
  220    HB1  ALA  31           HB1      ALA  31  -8.469  -2.371  10.395
  221    HB2  ALA  31           HB2      ALA  31  -7.885  -4.036  10.394
  222    HB3  ALA  31           HB3      ALA  31  -6.751  -2.704  10.172
  223    H    ASN  32           H        ASN  32  -7.915  -5.649   8.686
  224    HA   ASN  32           HA       ASN  32  -5.277  -6.070   7.638
  225    HB2  ASN  32           HB2      ASN  32  -7.457  -8.034   8.378
  226    HB3  ASN  32           HB3      ASN  32  -5.808  -8.479   7.951
  227   HD21  ASN  32          HD21      ASN  32  -7.790  -8.126  10.464
  228   HD22  ASN  32          HD22      ASN  32  -6.663  -7.696  11.701
  229    H    CYS  33           H        CYS  33  -8.311  -5.651   6.250
  230    HA   CYS  33           HA       CYS  33  -7.305  -6.616   3.678
  231    HB2  CYS  33           HB2      CYS  33 -10.134  -7.207   4.536
  232    HB3  CYS  33           HB3      CYS  33  -9.263  -7.844   3.145
  233    H    LYS  34           H        LYS  34  -7.105  -4.102   3.977
  234    HA   LYS  34           HA       LYS  34  -9.359  -2.456   3.751
  235    HB2  LYS  34           HB2      LYS  34  -6.655  -1.902   2.529
  236    HB3  LYS  34           HB3      LYS  34  -7.854  -0.725   3.049
  237    HG2  LYS  34           HG2      LYS  34  -7.411  -2.119   5.348
  238    HG3  LYS  34           HG3      LYS  34  -5.817  -2.145   4.589
  239    HD2  LYS  34           HD2      LYS  34  -7.094   0.465   4.431
  240    HD3  LYS  34           HD3      LYS  34  -6.876  -0.085   6.094
  241    HE2  LYS  34           HE2      LYS  34  -4.611  -0.001   5.967
  242    HE3  LYS  34           HE3      LYS  34  -4.583  -0.445   4.261
  243    HZ1  LYS  34           HZ1      LYS  34  -3.968   1.728   4.132
  244    HZ2  LYS  34           HZ2      LYS  34  -4.860   2.198   5.490
  245    HZ3  LYS  34           HZ3      LYS  34  -5.644   1.924   4.016
  246    H    LYS  35           H        LYS  35  -7.900  -4.565   1.487
  247    HA   LYS  35           HA       LYS  35  -9.051  -3.224  -0.825
  248    HB2  LYS  35           HB2      LYS  35  -6.773  -4.406  -0.786
  249    HB3  LYS  35           HB3      LYS  35  -7.686  -5.909  -0.820
  250    HG2  LYS  35           HG2      LYS  35  -7.065  -5.426  -3.049
  251    HG3  LYS  35           HG3      LYS  35  -8.790  -5.077  -2.914
  252    HD2  LYS  35           HD2      LYS  35  -7.486  -2.693  -2.243
  253    HD3  LYS  35           HD3      LYS  35  -6.617  -3.329  -3.642
  254    HE2  LYS  35           HE2      LYS  35  -9.599  -3.306  -3.673
  255    HE3  LYS  35           HE3      LYS  35  -8.730  -1.795  -3.941
  256    HZ1  LYS  35           HZ1      LYS  35  -7.450  -3.571  -5.552
  257    HZ2  LYS  35           HZ2      LYS  35  -8.611  -2.447  -6.051
  258    HZ3  LYS  35           HZ3      LYS  35  -9.071  -4.035  -5.694
  259    H    THR  36           H        THR  36  -9.247  -6.484   0.613
  260    HA   THR  36           HA       THR  36 -11.324  -7.493  -0.886
  261    HB   THR  36           HB       THR  36 -10.902  -8.000   2.066
  262    HG1  THR  36           HG1      THR  36  -9.659  -9.049  -0.259
  263   HG21  THR  36          HG21      THR  36 -12.017 -10.081   1.719
  264   HG22  THR  36          HG22      THR  36 -12.066  -9.833  -0.026
  265   HG23  THR  36          HG23      THR  36 -13.046  -8.823   1.036
  266    H    CYS  37           H        CYS  37 -11.441  -5.194   1.737
  267    HA   CYS  37           HA       CYS  37 -14.344  -5.328   1.901
  268    HB2  CYS  37           HB2      CYS  37 -12.295  -3.680   3.392
  269    HB3  CYS  37           HB3      CYS  37 -14.031  -3.542   3.648
  270    H    GLY  38           H        GLY  38 -11.837  -3.360   0.503
  271    HA2  GLY  38           HA2      GLY  38 -12.080  -1.817  -1.224
  272    HA3  GLY  38           HA3      GLY  38 -13.824  -1.895  -1.014
  273    H    LEU  39           H        LEU  39 -10.850  -0.485   0.229
  274    HA   LEU  39           HA       LEU  39 -12.453   1.733   1.307
  275    HB2  LEU  39           HB2      LEU  39 -10.060   0.413   2.574
  276    HB3  LEU  39           HB3      LEU  39 -10.732   1.953   3.107
  277    HG   LEU  39           HG       LEU  39 -12.572  -0.372   3.010
  278   HD11  LEU  39          HD11      LEU  39 -11.559  -1.634   4.532
  279   HD12  LEU  39          HD12      LEU  39 -11.196  -0.239   5.548
  280   HD13  LEU  39          HD13      LEU  39 -10.103  -0.682   4.237
  281   HD21  LEU  39          HD21      LEU  39 -13.627   0.726   4.790
  282   HD22  LEU  39          HD22      LEU  39 -13.117   2.022   3.708
  283   HD23  LEU  39          HD23      LEU  39 -12.192   1.678   5.170
  284    H    CYS  40           H        CYS  40 -10.273   0.831  -0.940
  285    HA   CYS  40           HA       CYS  40  -8.329   2.899  -0.784
  286    HB2  CYS  40           HB2      CYS  40  -9.180   1.441  -3.286
  287    HB3  CYS  40           HB3      CYS  40  -7.619   2.183  -2.949
  Start of MODEL   18
    1    H1   ALA   1           H        ALA   1  -0.006   6.785   3.280
    2    HA   ALA   1           HA       ALA   1  -0.902   4.448   3.721
    3    HB1  ALA   1           HB1      ALA   1  -3.288   5.262   4.060
    4    HB2  ALA   1           HB2      ALA   1  -2.015   6.152   4.896
    5    HB3  ALA   1           HB3      ALA   1  -2.733   6.811   3.426
    6    H    ALA   2           H        ALA   2  -0.433   3.308   1.685
    7    HA   ALA   2           HA       ALA   2  -2.243   3.474  -0.514
    8    HB1  ALA   2           HB1      ALA   2   0.065   2.702  -0.781
    9    HB2  ALA   2           HB2      ALA   2  -0.299   1.281   0.199
   10    HB3  ALA   2           HB3      ALA   2  -1.092   1.503  -1.360
   11    H    CYS   3           H        CYS   3  -3.406   1.441  -1.286
   12    HA   CYS   3           HA       CYS   3  -4.815   0.210   0.992
   13    HB2  CYS   3           HB2      CYS   3  -6.334   1.690  -0.121
   14    HB3  CYS   3           HB3      CYS   3  -5.868   1.075  -1.703
   15    H    SER   4           H        SER   4  -4.798  -1.940   1.112
   16    HA   SER   4           HA       SER   4  -4.886  -3.706  -1.067
   17    HB2  SER   4           HB2      SER   4  -2.177  -2.907  -0.131
   18    HB3  SER   4           HB3      SER   4  -2.439  -4.617  -0.471
   19    HG   SER   4           HG       SER   4  -1.741  -3.109  -2.255
   20    H    ASP   5           H        ASP   5  -3.857  -5.981  -0.213
   21    HA   ASP   5           HA       ASP   5  -5.164  -6.389   2.381
   22    HB2  ASP   5           HB2      ASP   5  -4.281  -8.635   0.604
   23    HB3  ASP   5           HB3      ASP   5  -5.630  -8.573   1.735
   24    H    ARG   6           H        ARG   6  -4.062  -6.991   4.143
   25    HA   ARG   6           HA       ARG   6  -1.210  -7.656   3.810
   26    HB2  ARG   6           HB2      ARG   6  -1.188  -6.812   6.308
   27    HB3  ARG   6           HB3      ARG   6  -1.095  -5.676   4.969
   28    HG2  ARG   6           HG2      ARG   6  -3.780  -6.379   6.028
   29    HG3  ARG   6           HG3      ARG   6  -2.749  -5.310   6.982
   30    HD2  ARG   6           HD2      ARG   6  -3.326  -4.843   4.067
   31    HD3  ARG   6           HD3      ARG   6  -4.341  -4.194   5.355
   32    HE   ARG   6           HE       ARG   6  -1.837  -3.177   4.493
   33   HH11  ARG   6          HH11      ARG   6  -3.799  -3.650   7.329
   34   HH12  ARG   6          HH12      ARG   6  -3.100  -2.321   8.194
   35   HH21  ARG   6          HH21      ARG   6  -0.909  -1.425   5.621
   36   HH22  ARG   6          HH22      ARG   6  -1.457  -1.055   7.221
   37    H    ALA   7           H        ALA   7  -4.240  -8.545   5.233
   38    HA   ALA   7           HA       ALA   7  -3.485 -10.277   7.252
   39    HB1  ALA   7           HB1      ALA   7  -5.847  -9.559   6.203
   40    HB2  ALA   7           HB2      ALA   7  -5.712 -11.189   5.542
   41    HB3  ALA   7           HB3      ALA   7  -5.646 -10.937   7.286
   42    H    HIS   8           H        HIS   8  -3.931 -12.769   7.044
   43    HA   HIS   8           HA       HIS   8  -1.792 -13.935   5.749
   44    HB2  HIS   8           HB2      HIS   8  -4.329 -14.957   6.917
   45    HB3  HIS   8           HB3      HIS   8  -3.423 -16.053   5.878
   46    HD1  HIS   8           HD1      HIS   8  -1.008 -16.714   6.694
   47    HD2  HIS   8           HD2      HIS   8  -3.267 -14.555   9.433
   48    HE1  HIS   8           HE1      HIS   8   0.169 -16.986   8.900
   49    H    GLY   9           H        GLY   9  -4.924 -13.104   4.492
   50    HA2  GLY   9           HA2      GLY   9  -4.901 -12.750   2.026
   51    HA3  GLY   9           HA3      GLY   9  -4.168 -14.343   1.916
   52    H    HIS  10           H        HIS  10  -5.542 -16.084   3.117
   53    HA   HIS  10           HA       HIS  10  -8.050 -16.188   1.774
   54    HB2  HIS  10           HB2      HIS  10  -8.338 -18.327   3.087
   55    HB3  HIS  10           HB3      HIS  10  -6.885 -18.247   2.095
   56    HD1  HIS  10           HD1      HIS  10  -4.898 -19.107   3.265
   57    HD2  HIS  10           HD2      HIS  10  -7.615 -17.407   5.908
   58    HE1  HIS  10           HE1      HIS  10  -3.886 -19.397   5.548
   59    H    ILE  11           H        ILE  11  -7.058 -14.917   4.769
   60    HA   ILE  11           HA       ILE  11  -9.396 -15.306   6.302
   61    HB   ILE  11           HB       ILE  11  -7.344 -13.096   6.465
   62   HG12  ILE  11          HG12      ILE  11  -6.916 -15.733   6.887
   63   HG13  ILE  11          HG13      ILE  11  -6.069 -14.460   7.759
   64   HG21  ILE  11          HG21      ILE  11  -9.268 -12.301   7.576
   65   HG22  ILE  11          HG22      ILE  11  -9.591 -13.873   8.304
   66   HG23  ILE  11          HG23      ILE  11  -8.206 -12.922   8.839
   67   HD11  ILE  11          HD11      ILE  11  -8.618 -15.654   8.784
   68   HD12  ILE  11          HD12      ILE  11  -7.039 -16.365   9.122
   69   HD13  ILE  11          HD13      ILE  11  -7.402 -14.726   9.661
   70    H    CYS  12           H        CYS  12  -8.325 -12.560   4.307
   71    HA   CYS  12           HA       CYS  12 -10.511 -10.890   4.733
   72    HB2  CYS  12           HB2      CYS  12  -8.966 -11.132   2.146
   73    HB3  CYS  12           HB3      CYS  12  -9.839  -9.721   2.734
   74    H    GLU  13           H        GLU  13  -9.992 -13.235   2.102
   75    HA   GLU  13           HA       GLU  13 -12.513 -12.852   0.893
   76    HB2  GLU  13           HB2      GLU  13 -12.045 -14.943  -0.304
   77    HB3  GLU  13           HB3      GLU  13 -10.650 -13.872  -0.306
   78    HG2  GLU  13           HG2      GLU  13  -9.745 -15.193   1.617
   79    HG3  GLU  13           HG3      GLU  13 -11.062 -16.337   1.363
   80    H    SER  14           H        SER  14 -11.342 -15.248   3.231
   81    HA   SER  14           HA       SER  14 -13.557 -16.884   3.398
   82    HB2  SER  14           HB2      SER  14 -11.440 -17.343   4.565
   83    HB3  SER  14           HB3      SER  14 -11.760 -16.011   5.676
   84    HG   SER  14           HG       SER  14 -12.712 -18.557   5.704
   85    H    PHE  15           H        PHE  15 -12.955 -13.819   5.065
   86    HA   PHE  15           HA       PHE  15 -15.808 -13.757   5.798
   87    HB2  PHE  15           HB2      PHE  15 -13.545 -12.523   7.380
   88    HB3  PHE  15           HB3      PHE  15 -15.246 -12.569   7.833
   89    HD1  PHE  15           HD2      PHE  15 -12.162 -14.518   7.512
   90    HD2  PHE  15           HD1      PHE  15 -16.241 -14.563   8.729
   91    HE1  PHE  15           HE2      PHE  15 -11.784 -16.645   8.689
   92    HE2  PHE  15           HE1      PHE  15 -15.868 -16.690   9.909
   93    HZ   PHE  15           HZ       PHE  15 -13.638 -17.734   9.889
   94    H    LYS  16           H        LYS  16 -15.023 -12.785   3.375
   95    HA   LYS  16           HA       LYS  16 -14.354 -10.016   3.433
   96    HB2  LYS  16           HB2      LYS  16 -15.035 -10.066   1.030
   97    HB3  LYS  16           HB3      LYS  16 -13.843 -11.286   1.460
   98    HG2  LYS  16           HG2      LYS  16 -15.164 -12.897   0.720
   99    HG3  LYS  16           HG3      LYS  16 -16.470 -12.369   1.783
  100    HD2  LYS  16           HD2      LYS  16 -15.972 -10.790  -0.683
  101    HD3  LYS  16           HD3      LYS  16 -16.713 -12.382  -0.865
  102    HE2  LYS  16           HE2      LYS  16 -18.273 -11.532   1.062
  103    HE3  LYS  16           HE3      LYS  16 -17.753  -9.942   0.504
  104    HZ1  LYS  16           HZ1      LYS  16 -19.648 -10.354  -0.729
  105    HZ2  LYS  16           HZ2      LYS  16 -19.296 -11.994  -0.945
  106    HZ3  LYS  16           HZ3      LYS  16 -18.422 -10.822  -1.796
  107    H    SER  17           H        SER  17 -17.351 -11.828   3.427
  108    HA   SER  17           HA       SER  17 -19.026  -9.564   2.902
  109    HB2  SER  17           HB2      SER  17 -20.756 -11.314   3.963
  110    HB3  SER  17           HB3      SER  17 -20.167 -11.458   2.307
  111    HG   SER  17           HG       SER  17 -19.022 -13.161   2.848
  112    H    PHE  18           H        PHE  18 -17.286 -10.553   5.581
  113    HA   PHE  18           HA       PHE  18 -19.164  -9.450   7.524
  114    HB2  PHE  18           HB2      PHE  18 -16.462 -10.754   7.913
  115    HB3  PHE  18           HB3      PHE  18 -17.527 -10.225   9.210
  116    HD1  PHE  18           HD1      PHE  18 -17.304 -12.543   6.327
  117    HD2  PHE  18           HD2      PHE  18 -19.203 -11.627  10.025
  118    HE1  PHE  18           HE1      PHE  18 -18.428 -14.732   6.289
  119    HE2  PHE  18           HE2      PHE  18 -20.328 -13.815   9.993
  120    HZ   PHE  18           HZ       PHE  18 -19.941 -15.371   8.124
  121    H    CYS  19           H        CYS  19 -17.167  -8.119   5.423
  122    HA   CYS  19           HA       CYS  19 -15.478  -6.451   6.955
  123    HB2  CYS  19           HB2      CYS  19 -16.501  -6.405   4.141
  124    HB3  CYS  19           HB3      CYS  19 -15.659  -4.995   4.776
  125    H    LYS  20           H        LYS  20 -18.832  -6.259   6.066
  126    HA   LYS  20           HA       LYS  20 -19.028  -3.493   6.990
  127    HB2  LYS  20           HB2      LYS  20 -21.416  -3.708   6.246
  128    HB3  LYS  20           HB3      LYS  20 -20.227  -3.923   4.967
  129    HG2  LYS  20           HG2      LYS  20 -21.105  -5.888   4.467
  130    HG3  LYS  20           HG3      LYS  20 -20.775  -6.468   6.101
  131    HD2  LYS  20           HD2      LYS  20 -23.149  -4.725   5.655
  132    HD3  LYS  20           HD3      LYS  20 -23.229  -6.411   5.139
  133    HE2  LYS  20           HE2      LYS  20 -22.177  -6.685   7.619
  134    HE3  LYS  20           HE3      LYS  20 -23.177  -5.251   7.845
  135    HZ1  LYS  20           HZ1      LYS  20 -24.116  -7.855   6.766
  136    HZ2  LYS  20           HZ2      LYS  20 -25.074  -6.480   7.000
  137    HZ3  LYS  20           HZ3      LYS  20 -24.401  -7.278   8.331
  138    H    ASP  21           H        ASP  21 -18.590  -6.017   8.673
  139    HA   ASP  21           HA       ASP  21 -20.964  -6.187  10.295
  140    HB2  ASP  21           HB2      ASP  21 -19.148  -8.014   9.848
  141    HB3  ASP  21           HB3      ASP  21 -18.284  -7.219  11.161
  142    H    SER  22           H        SER  22 -21.468  -4.965  11.989
  143    HA   SER  22           HA       SER  22 -19.694  -2.841  12.796
  144    HB2  SER  22           HB2      SER  22 -21.639  -2.330  14.397
  145    HB3  SER  22           HB3      SER  22 -21.962  -2.196  12.669
  146    HG   SER  22           HG       SER  22 -23.456  -3.630  12.947
  147    H    GLY  23           H        GLY  23 -18.272  -4.934  13.429
  148    HA2  GLY  23           HA2      GLY  23 -18.332  -4.943  16.350
  149    HA3  GLY  23           HA3      GLY  23 -18.434  -6.504  15.549
  150    H    ARG  24           H        ARG  24 -16.446  -6.928  16.776
  151    HA   ARG  24           HA       ARG  24 -14.048  -5.517  16.189
  152    HB2  ARG  24           HB2      ARG  24 -14.289  -8.340  17.234
  153    HB3  ARG  24           HB3      ARG  24 -12.922  -7.250  17.418
  154    HG2  ARG  24           HG2      ARG  24 -15.001  -5.829  18.523
  155    HG3  ARG  24           HG3      ARG  24 -15.344  -7.492  19.003
  156    HD2  ARG  24           HD2      ARG  24 -13.985  -6.575  20.709
  157    HD3  ARG  24           HD3      ARG  24 -12.943  -7.639  19.764
  158    HE   ARG  24           HE       ARG  24 -12.882  -4.891  18.916
  159   HH11  ARG  24          HH11      ARG  24 -11.537  -7.256  21.088
  160   HH12  ARG  24          HH12      ARG  24 -10.045  -6.402  21.303
  161   HH21  ARG  24          HH21      ARG  24 -10.922  -3.757  19.191
  162   HH22  ARG  24          HH22      ARG  24  -9.697  -4.411  20.224
  163    H    ASN  25           H        ASN  25 -15.635  -8.333  14.825
  164    HA   ASN  25           HA       ASN  25 -13.472  -9.269  13.271
  165    HB2  ASN  25           HB2      ASN  25 -16.345  -9.580  12.441
  166    HB3  ASN  25           HB3      ASN  25 -15.012 -10.713  12.246
  167   HD21  ASN  25          HD21      ASN  25 -17.772 -10.251  13.849
  168   HD22  ASN  25          HD22      ASN  25 -17.446 -11.128  15.301
  169    H    GLY  26           H        GLY  26 -16.058  -6.950  12.624
  170    HA2  GLY  26           HA2      GLY  26 -15.478  -6.591   9.871
  171    HA3  GLY  26           HA3      GLY  26 -16.397  -5.488  10.884
  172    H    VAL  27           H        VAL  27 -14.581  -4.679  12.736
  173    HA   VAL  27           HA       VAL  27 -13.151  -2.687  11.402
  174    HB   VAL  27           HB       VAL  27 -12.613  -3.777  14.168
  175   HG11  VAL  27          HG11      VAL  27 -11.776  -1.260  12.760
  176   HG12  VAL  27          HG12      VAL  27 -11.822  -1.377  14.520
  177   HG13  VAL  27          HG13      VAL  27 -10.769  -2.445  13.592
  178   HG21  VAL  27          HG21      VAL  27 -14.862  -2.372  13.108
  179   HG22  VAL  27          HG22      VAL  27 -14.575  -2.919  14.760
  180   HG23  VAL  27          HG23      VAL  27 -14.012  -1.328  14.248
  181    H    LYS  28           H        LYS  28 -12.019  -5.749  12.801
  182    HA   LYS  28           HA       LYS  28  -9.296  -5.395  12.149
  183    HB2  LYS  28           HB2      LYS  28 -10.926  -7.883  12.668
  184    HB3  LYS  28           HB3      LYS  28  -9.183  -7.902  12.433
  185    HG2  LYS  28           HG2      LYS  28  -8.757  -6.958  14.460
  186    HG3  LYS  28           HG3      LYS  28 -10.284  -6.073  14.494
  187    HD2  LYS  28           HD2      LYS  28 -10.755  -7.664  16.057
  188    HD3  LYS  28           HD3      LYS  28 -11.268  -8.537  14.610
  189    HE2  LYS  28           HE2      LYS  28  -8.709  -9.260  14.622
  190    HE3  LYS  28           HE3      LYS  28  -8.895  -8.948  16.347
  191    HZ1  LYS  28           HZ1      LYS  28  -9.393 -11.217  15.979
  192    HZ2  LYS  28           HZ2      LYS  28 -10.427 -10.868  14.688
  193    HZ3  LYS  28           HZ3      LYS  28 -10.872 -10.448  16.265
  194    H    LEU  29           H        LEU  29 -12.038  -6.430  10.303
  195    HA   LEU  29           HA       LEU  29 -10.581  -7.741   8.227
  196    HB2  LEU  29           HB2      LEU  29 -13.380  -6.787   8.597
  197    HB3  LEU  29           HB3      LEU  29 -12.827  -7.192   6.974
  198    HG   LEU  29           HG       LEU  29 -12.664  -9.120   9.280
  199   HD11  LEU  29          HD11      LEU  29 -15.011  -8.350   8.814
  200   HD12  LEU  29          HD12      LEU  29 -14.725 -10.078   8.610
  201   HD13  LEU  29          HD13      LEU  29 -14.832  -9.030   7.196
  202   HD21  LEU  29          HD21      LEU  29 -11.262  -9.384   7.160
  203   HD22  LEU  29          HD22      LEU  29 -12.788  -9.714   6.340
  204   HD23  LEU  29          HD23      LEU  29 -12.251 -10.757   7.658
  205    H    ARG  30           H        ARG  30 -12.012  -4.511   8.582
  206    HA   ARG  30           HA       ARG  30 -11.243  -3.584   6.019
  207    HB2  ARG  30           HB2      ARG  30 -11.913  -2.075   8.551
  208    HB3  ARG  30           HB3      ARG  30 -11.687  -1.320   6.979
  209    HG2  ARG  30           HG2      ARG  30 -13.535  -3.254   6.425
  210    HG3  ARG  30           HG3      ARG  30 -13.981  -2.761   8.059
  211    HD2  ARG  30           HD2      ARG  30 -13.368  -0.465   6.432
  212    HD3  ARG  30           HD3      ARG  30 -14.599  -1.463   5.660
  213    HE   ARG  30           HE       ARG  30 -15.077  -0.930   8.452
  214   HH11  ARG  30          HH11      ARG  30 -15.555   0.163   5.181
  215   HH12  ARG  30          HH12      ARG  30 -16.953   1.112   5.564
  216   HH21  ARG  30          HH21      ARG  30 -16.917   0.316   8.968
  217   HH22  ARG  30          HH22      ARG  30 -17.726   1.199   7.718
  218    H    ALA  31           H        ALA  31  -9.505  -4.079   8.916
  219    HA   ALA  31           HA       ALA  31  -7.418  -2.160   8.294
  220    HB1  ALA  31           HB1      ALA  31  -6.395  -2.834  10.347
  221    HB2  ALA  31           HB2      ALA  31  -8.126  -2.651  10.635
  222    HB3  ALA  31           HB3      ALA  31  -7.427  -4.260  10.454
  223    H    ASN  32           H        ASN  32  -7.559  -5.700   8.742
  224    HA   ASN  32           HA       ASN  32  -4.993  -6.084   7.523
  225    HB2  ASN  32           HB2      ASN  32  -7.122  -8.137   8.165
  226    HB3  ASN  32           HB3      ASN  32  -5.426  -8.464   7.820
  227   HD21  ASN  32          HD21      ASN  32  -7.546  -8.388  10.222
  228   HD22  ASN  32          HD22      ASN  32  -6.529  -7.926  11.540
  229    H    CYS  33           H        CYS  33  -8.089  -5.568   6.320
  230    HA   CYS  33           HA       CYS  33  -7.234  -6.437   3.658
  231    HB2  CYS  33           HB2      CYS  33 -10.068  -6.930   4.516
  232    HB3  CYS  33           HB3      CYS  33  -9.169  -7.659   3.189
  233    H    LYS  34           H        LYS  34  -6.910  -3.967   3.971
  234    HA   LYS  34           HA       LYS  34  -9.125  -2.232   3.944
  235    HB2  LYS  34           HB2      LYS  34  -6.486  -1.671   2.600
  236    HB3  LYS  34           HB3      LYS  34  -7.600  -0.517   3.321
  237    HG2  LYS  34           HG2      LYS  34  -7.019  -2.114   5.446
  238    HG3  LYS  34           HG3      LYS  34  -5.496  -2.129   4.555
  239    HD2  LYS  34           HD2      LYS  34  -5.099   0.073   4.931
  240    HD3  LYS  34           HD3      LYS  34  -6.810   0.500   4.875
  241    HE2  LYS  34           HE2      LYS  34  -7.046   0.297   7.093
  242    HE3  LYS  34           HE3      LYS  34  -6.107  -1.194   7.146
  243    HZ1  LYS  34           HZ1      LYS  34  -4.566   0.040   8.146
  244    HZ2  LYS  34           HZ2      LYS  34  -5.287   1.501   7.693
  245    HZ3  LYS  34           HZ3      LYS  34  -4.243   0.706   6.625
  246    H    LYS  35           H        LYS  35  -7.841  -4.298   1.545
  247    HA   LYS  35           HA       LYS  35  -9.104  -2.828  -0.641
  248    HB2  LYS  35           HB2      LYS  35  -6.885  -3.686  -1.088
  249    HB3  LYS  35           HB3      LYS  35  -7.377  -5.308  -0.618
  250    HG2  LYS  35           HG2      LYS  35  -9.157  -4.558  -2.630
  251    HG3  LYS  35           HG3      LYS  35  -7.572  -4.000  -3.171
  252    HD2  LYS  35           HD2      LYS  35  -6.860  -6.087  -3.552
  253    HD3  LYS  35           HD3      LYS  35  -7.496  -6.672  -2.013
  254    HE2  LYS  35           HE2      LYS  35  -9.481  -7.316  -2.923
  255    HE3  LYS  35           HE3      LYS  35  -9.457  -6.046  -4.145
  256    HZ1  LYS  35           HZ1      LYS  35  -7.603  -8.349  -4.241
  257    HZ2  LYS  35           HZ2      LYS  35  -8.003  -7.274  -5.484
  258    HZ3  LYS  35           HZ3      LYS  35  -9.140  -8.406  -4.947
  259    H    THR  36           H        THR  36  -9.117  -6.149   0.659
  260    HA   THR  36           HA       THR  36 -11.195  -7.195  -0.811
  261    HB   THR  36           HB       THR  36 -10.800  -7.801   2.119
  262    HG1  THR  36           HG1      THR  36  -9.434  -9.087  -0.009
  263   HG21  THR  36          HG21      THR  36 -11.709  -9.916   1.642
  264   HG22  THR  36          HG22      THR  36 -11.517  -9.701  -0.098
  265   HG23  THR  36          HG23      THR  36 -12.744  -8.783   0.774
  266    H    CYS  37           H        CYS  37 -11.327  -4.982   1.883
  267    HA   CYS  37           HA       CYS  37 -14.204  -5.252   2.168
  268    HB2  CYS  37           HB2      CYS  37 -12.175  -3.484   3.543
  269    HB3  CYS  37           HB3      CYS  37 -13.902  -3.433   3.885
  270    H    GLY  38           H        GLY  38 -11.878  -3.114   0.686
  271    HA2  GLY  38           HA2      GLY  38 -12.401  -1.704  -1.139
  272    HA3  GLY  38           HA3      GLY  38 -14.083  -1.708  -0.629
  273    H    LEU  39           H        LEU  39 -10.874  -0.461   0.172
  274    HA   LEU  39           HA       LEU  39 -12.178   1.925   1.287
  275    HB2  LEU  39           HB2      LEU  39  -9.845   0.423   2.458
  276    HB3  LEU  39           HB3      LEU  39 -10.328   2.041   2.963
  277    HG   LEU  39           HG       LEU  39 -12.377  -0.105   3.086
  278   HD11  LEU  39          HD11      LEU  39 -11.026  -0.085   5.569
  279   HD12  LEU  39          HD12      LEU  39  -9.829  -0.405   4.315
  280   HD13  LEU  39          HD13      LEU  39 -11.254  -1.434   4.456
  281   HD21  LEU  39          HD21      LEU  39 -13.171   1.152   4.933
  282   HD22  LEU  39          HD22      LEU  39 -12.750   2.314   3.674
  283   HD23  LEU  39          HD23      LEU  39 -11.668   2.067   5.045
  284    H    CYS  40           H        CYS  40 -10.386   0.812  -1.129
  285    HA   CYS  40           HA       CYS  40  -8.158   2.576  -1.184
  286    HB2  CYS  40           HB2      CYS  40  -9.491   1.325  -3.586
  287    HB3  CYS  40           HB3      CYS  40  -7.809   1.818  -3.420
  Start of MODEL   19
    1    H1   ALA   1           H        ALA   1   2.718   3.968   2.504
    2    HA   ALA   1           HA       ALA   1   1.126   2.782   3.632
    3    HB1  ALA   1           HB1      ALA   1   1.127   4.807   5.142
    4    HB2  ALA   1           HB2      ALA   1  -0.274   5.376   4.233
    5    HB3  ALA   1           HB3      ALA   1  -0.359   3.857   5.125
    6    H    ALA   2           H        ALA   2   0.776   2.353   1.203
    7    HA   ALA   2           HA       ALA   2  -1.444   3.461  -0.136
    8    HB1  ALA   2           HB1      ALA   2  -1.266   1.465  -1.606
    9    HB2  ALA   2           HB2      ALA   2   0.260   2.320  -1.380
   10    HB3  ALA   2           HB3      ALA   2  -0.046   0.818  -0.509
   11    H    CYS   3           H        CYS   3  -3.169   1.689  -0.970
   12    HA   CYS   3           HA       CYS   3  -4.413   0.604   1.472
   13    HB2  CYS   3           HB2      CYS   3  -5.767   2.400   0.690
   14    HB3  CYS   3           HB3      CYS   3  -5.650   1.854  -0.979
   15    H    SER   4           H        SER   4  -4.706  -1.520   1.545
   16    HA   SER   4           HA       SER   4  -5.612  -3.133  -0.544
   17    HB2  SER   4           HB2      SER   4  -3.347  -4.461  -0.742
   18    HB3  SER   4           HB3      SER   4  -3.637  -3.046  -1.753
   19    HG   SER   4           HG       SER   4  -1.659  -3.431  -0.060
   20    H    ASP   5           H        ASP   5  -4.759  -5.584  -0.022
   21    HA   ASP   5           HA       ASP   5  -5.605  -5.995   2.724
   22    HB2  ASP   5           HB2      ASP   5  -5.072  -7.936   0.467
   23    HB3  ASP   5           HB3      ASP   5  -5.636  -8.408   2.067
   24    H    ARG   6           H        ARG   6  -4.367  -6.738   4.360
   25    HA   ARG   6           HA       ARG   6  -1.541  -7.314   3.754
   26    HB2  ARG   6           HB2      ARG   6  -1.360  -6.524   6.296
   27    HB3  ARG   6           HB3      ARG   6  -1.270  -5.394   4.951
   28    HG2  ARG   6           HG2      ARG   6  -3.911  -6.009   6.196
   29    HG3  ARG   6           HG3      ARG   6  -2.803  -4.881   6.980
   30    HD2  ARG   6           HD2      ARG   6  -3.283  -4.503   4.083
   31    HD3  ARG   6           HD3      ARG   6  -4.618  -4.121   5.170
   32    HE   ARG   6           HE       ARG   6  -3.336  -2.393   6.105
   33   HH11  ARG   6          HH11      ARG   6  -1.632  -4.089   3.587
   34   HH12  ARG   6          HH12      ARG   6  -0.432  -2.855   3.389
   35   HH21  ARG   6          HH21      ARG   6  -1.762  -0.762   5.854
   36   HH22  ARG   6          HH22      ARG   6  -0.506  -0.964   4.679
   37    H    ALA   7           H        ALA   7  -4.435  -8.359   5.263
   38    HA   ALA   7           HA       ALA   7  -3.575 -10.047   7.271
   39    HB1  ALA   7           HB1      ALA   7  -5.972  -9.477   6.296
   40    HB2  ALA   7           HB2      ALA   7  -5.742 -11.035   5.500
   41    HB3  ALA   7           HB3      ALA   7  -5.675 -10.924   7.259
   42    H    HIS   8           H        HIS   8  -3.739 -12.532   7.123
   43    HA   HIS   8           HA       HIS   8  -1.563 -13.512   5.716
   44    HB2  HIS   8           HB2      HIS   8  -3.868 -14.740   7.135
   45    HB3  HIS   8           HB3      HIS   8  -2.945 -15.784   6.058
   46    HD1  HIS   8           HD1      HIS   8  -2.379 -13.510   9.043
   47    HD2  HIS   8           HD2      HIS   8  -0.665 -16.787   7.150
   48    HE1  HIS   8           HE1      HIS   8  -0.494 -14.240  10.538
   49    H    GLY   9           H        GLY   9  -4.833 -13.032   4.672
   50    HA2  GLY   9           HA2      GLY   9  -4.965 -12.816   2.175
   51    HA3  GLY   9           HA3      GLY   9  -4.195 -14.395   2.128
   52    H    HIS  10           H        HIS  10  -5.431 -16.086   3.519
   53    HA   HIS  10           HA       HIS  10  -8.015 -16.351   2.369
   54    HB2  HIS  10           HB2      HIS  10  -6.328 -18.188   3.120
   55    HB3  HIS  10           HB3      HIS  10  -7.080 -17.996   4.701
   56    HD1  HIS  10           HD1      HIS  10  -9.114 -17.780   1.561
   57    HD2  HIS  10           HD2      HIS  10  -8.310 -20.495   4.602
   58    HE1  HIS  10           HE1      HIS  10 -10.798 -19.626   1.277
   59    H    ILE  11           H        ILE  11  -6.886 -14.788   5.160
   60    HA   ILE  11           HA       ILE  11  -9.114 -15.121   6.872
   61    HB   ILE  11           HB       ILE  11  -7.127 -12.850   6.742
   62   HG12  ILE  11          HG12      ILE  11  -6.541 -15.418   7.284
   63   HG13  ILE  11          HG13      ILE  11  -5.725 -14.068   8.064
   64   HG21  ILE  11          HG21      ILE  11  -9.223 -13.573   8.770
   65   HG22  ILE  11          HG22      ILE  11  -7.832 -12.563   9.163
   66   HG23  ILE  11          HG23      ILE  11  -8.986 -12.037   7.937
   67   HD11  ILE  11          HD11      ILE  11  -7.043 -14.294  10.017
   68   HD12  ILE  11          HD12      ILE  11  -8.135 -15.432   9.226
   69   HD13  ILE  11          HD13      ILE  11  -6.475 -15.906   9.584
   70    H    CYS  12           H        CYS  12  -8.318 -12.732   4.393
   71    HA   CYS  12           HA       CYS  12 -10.519 -11.020   4.889
   72    HB2  CYS  12           HB2      CYS  12  -9.131 -11.362   2.232
   73    HB3  CYS  12           HB3      CYS  12  -9.936  -9.926   2.855
   74    H    GLU  13           H        GLU  13  -9.998 -13.617   2.517
   75    HA   GLU  13           HA       GLU  13 -12.567 -13.403   1.336
   76    HB2  GLU  13           HB2      GLU  13 -10.333 -14.620   0.559
   77    HB3  GLU  13           HB3      GLU  13 -11.110 -16.002   1.318
   78    HG2  GLU  13           HG2      GLU  13 -13.019 -14.691  -0.330
   79    HG3  GLU  13           HG3      GLU  13 -11.542 -14.935  -1.260
   80    H    SER  14           H        SER  14 -11.228 -15.484   3.868
   81    HA   SER  14           HA       SER  14 -13.395 -17.186   4.234
   82    HB2  SER  14           HB2      SER  14 -11.264 -16.177   6.105
   83    HB3  SER  14           HB3      SER  14 -12.524 -17.276   6.668
   84    HG   SER  14           HG       SER  14 -10.747 -17.760   4.506
   85    H    PHE  15           H        PHE  15 -12.836 -13.933   5.442
   86    HA   PHE  15           HA       PHE  15 -15.610 -13.898   6.426
   87    HB2  PHE  15           HB2      PHE  15 -13.271 -12.477   7.716
   88    HB3  PHE  15           HB3      PHE  15 -14.939 -12.466   8.278
   89    HD1  PHE  15           HD1      PHE  15 -15.965 -14.675   9.002
   90    HD2  PHE  15           HD2      PHE  15 -11.785 -14.122   8.425
   91    HE1  PHE  15           HE1      PHE  15 -15.515 -16.662  10.382
   92    HE2  PHE  15           HE2      PHE  15 -11.328 -16.109   9.802
   93    HZ   PHE  15           HZ       PHE  15 -13.195 -17.382  10.782
   94    H    LYS  16           H        LYS  16 -14.944 -13.148   3.860
   95    HA   LYS  16           HA       LYS  16 -14.434 -10.349   3.643
   96    HB2  LYS  16           HB2      LYS  16 -15.153 -10.670   1.270
   97    HB3  LYS  16           HB3      LYS  16 -13.875 -11.762   1.786
   98    HG2  LYS  16           HG2      LYS  16 -15.096 -13.520   1.232
   99    HG3  LYS  16           HG3      LYS  16 -16.418 -12.978   2.269
  100    HD2  LYS  16           HD2      LYS  16 -16.061 -11.623  -0.352
  101    HD3  LYS  16           HD3      LYS  16 -16.712 -13.264  -0.353
  102    HE2  LYS  16           HE2      LYS  16 -18.220 -12.204   1.585
  103    HE3  LYS  16           HE3      LYS  16 -17.895 -10.743   0.654
  104    HZ1  LYS  16           HZ1      LYS  16 -19.312 -13.189  -0.185
  105    HZ2  LYS  16           HZ2      LYS  16 -18.616 -12.165  -1.337
  106    HZ3  LYS  16           HZ3      LYS  16 -19.815 -11.577  -0.298
  107    H    SER  17           H        SER  17 -17.311 -12.333   3.873
  108    HA   SER  17           HA       SER  17 -19.133 -10.234   3.175
  109    HB2  SER  17           HB2      SER  17 -19.709 -12.610   2.852
  110    HB3  SER  17           HB3      SER  17 -19.655 -12.857   4.597
  111    HG   SER  17           HG       SER  17 -21.770 -12.501   4.066
  112    H    PHE  18           H        PHE  18 -17.250 -10.759   5.852
  113    HA   PHE  18           HA       PHE  18 -19.177  -9.541   7.701
  114    HB2  PHE  18           HB2      PHE  18 -16.500 -10.823   8.291
  115    HB3  PHE  18           HB3      PHE  18 -17.645 -10.225   9.487
  116    HD1  PHE  18           HD1      PHE  18 -17.186 -12.748   6.817
  117    HD2  PHE  18           HD2      PHE  18 -19.388 -11.577  10.267
  118    HE1  PHE  18           HE1      PHE  18 -18.278 -14.952   6.864
  119    HE2  PHE  18           HE2      PHE  18 -20.482 -13.780  10.320
  120    HZ   PHE  18           HZ       PHE  18 -19.927 -15.472   8.618
  121    H    CYS  19           H        CYS  19 -17.264  -8.382   5.500
  122    HA   CYS  19           HA       CYS  19 -15.430  -6.693   6.808
  123    HB2  CYS  19           HB2      CYS  19 -16.646  -6.829   4.098
  124    HB3  CYS  19           HB3      CYS  19 -15.908  -5.302   4.570
  125    H    LYS  20           H        LYS  20 -18.839  -6.541   6.458
  126    HA   LYS  20           HA       LYS  20 -18.867  -3.725   7.310
  127    HB2  LYS  20           HB2      LYS  20 -21.224  -3.708   6.598
  128    HB3  LYS  20           HB3      LYS  20 -20.145  -4.154   5.282
  129    HG2  LYS  20           HG2      LYS  20 -20.744  -6.596   6.208
  130    HG3  LYS  20           HG3      LYS  20 -22.220  -5.736   6.656
  131    HD2  LYS  20           HD2      LYS  20 -21.020  -5.659   3.892
  132    HD3  LYS  20           HD3      LYS  20 -22.256  -6.818   4.387
  133    HE2  LYS  20           HE2      LYS  20 -22.629  -3.852   4.688
  134    HE3  LYS  20           HE3      LYS  20 -23.039  -4.700   3.199
  135    HZ1  LYS  20           HZ1      LYS  20 -25.013  -4.959   4.192
  136    HZ2  LYS  20           HZ2      LYS  20 -24.405  -4.679   5.745
  137    HZ3  LYS  20           HZ3      LYS  20 -24.261  -6.212   5.044
  138    H    ASP  21           H        ASP  21 -18.312  -6.041   9.039
  139    HA   ASP  21           HA       ASP  21 -20.660  -6.419  10.666
  140    HB2  ASP  21           HB2      ASP  21 -17.853  -7.405  10.686
  141    HB3  ASP  21           HB3      ASP  21 -18.720  -7.407  12.219
  142    H    SER  22           H        SER  22 -21.272  -5.273  12.389
  143    HA   SER  22           HA       SER  22 -19.802  -2.890  13.078
  144    HB2  SER  22           HB2      SER  22 -21.749  -2.633  14.744
  145    HB3  SER  22           HB3      SER  22 -22.138  -2.576  13.025
  146    HG   SER  22           HG       SER  22 -23.369  -4.237  13.329
  147    H    GLY  23           H        GLY  23 -18.071  -4.742  13.706
  148    HA2  GLY  23           HA2      GLY  23 -17.881  -4.547  16.583
  149    HA3  GLY  23           HA3      GLY  23 -18.077  -6.191  15.992
  150    H    ARG  24           H        ARG  24 -15.984  -6.588  16.962
  151    HA   ARG  24           HA       ARG  24 -13.641  -5.268  16.065
  152    HB2  ARG  24           HB2      ARG  24 -12.446  -7.187  17.101
  153    HB3  ARG  24           HB3      ARG  24 -13.623  -6.439  18.172
  154    HG2  ARG  24           HG2      ARG  24 -15.148  -8.364  17.074
  155    HG3  ARG  24           HG3      ARG  24 -13.564  -9.141  17.011
  156    HD2  ARG  24           HD2      ARG  24 -13.526  -8.128  19.518
  157    HD3  ARG  24           HD3      ARG  24 -15.250  -8.446  19.324
  158    HE   ARG  24           HE       ARG  24 -13.704 -10.679  18.502
  159   HH11  ARG  24          HH11      ARG  24 -14.847  -8.999  21.329
  160   HH12  ARG  24          HH12      ARG  24 -14.821 -10.408  22.337
  161   HH21  ARG  24          HH21      ARG  24 -13.666 -12.542  19.819
  162   HH22  ARG  24          HH22      ARG  24 -14.149 -12.422  21.477
  163    H    ASN  25           H        ASN  25 -15.223  -8.296  15.122
  164    HA   ASN  25           HA       ASN  25 -13.327  -9.260  13.342
  165    HB2  ASN  25           HB2      ASN  25 -16.266  -9.589  13.660
  166    HB3  ASN  25           HB3      ASN  25 -15.559 -10.113  12.135
  167   HD21  ASN  25          HD21      ASN  25 -14.907 -10.331  15.617
  168   HD22  ASN  25          HD22      ASN  25 -14.443 -11.995  15.598
  169    H    GLY  26           H        GLY  26 -15.986  -6.982  12.764
  170    HA2  GLY  26           HA2      GLY  26 -15.507  -6.704   9.978
  171    HA3  GLY  26           HA3      GLY  26 -16.446  -5.607  10.980
  172    H    VAL  27           H        VAL  27 -14.596  -4.679  12.758
  173    HA   VAL  27           HA       VAL  27 -13.311  -2.654  11.331
  174    HB   VAL  27           HB       VAL  27 -12.659  -3.679  14.098
  175   HG11  VAL  27          HG11      VAL  27 -11.807  -1.325  14.411
  176   HG12  VAL  27          HG12      VAL  27 -10.824  -2.363  13.377
  177   HG13  VAL  27          HG13      VAL  27 -11.886  -1.152  12.658
  178   HG21  VAL  27          HG21      VAL  27 -14.091  -1.179  13.960
  179   HG22  VAL  27          HG22      VAL  27 -14.984  -2.464  13.145
  180   HG23  VAL  27          HG23      VAL  27 -14.498  -2.659  14.829
  181    H    LYS  28           H        LYS  28 -11.976  -5.629  12.744
  182    HA   LYS  28           HA       LYS  28  -9.305  -5.172  11.970
  183    HB2  LYS  28           HB2      LYS  28 -10.786  -7.742  12.545
  184    HB3  LYS  28           HB3      LYS  28  -9.047  -7.646  12.302
  185    HG2  LYS  28           HG2      LYS  28 -10.547  -6.172  14.456
  186    HG3  LYS  28           HG3      LYS  28  -9.725  -7.717  14.681
  187    HD2  LYS  28           HD2      LYS  28  -8.020  -6.371  15.324
  188    HD3  LYS  28           HD3      LYS  28  -7.723  -6.308  13.585
  189    HE2  LYS  28           HE2      LYS  28  -7.854  -4.089  13.796
  190    HE3  LYS  28           HE3      LYS  28  -9.592  -4.325  13.973
  191    HZ1  LYS  28           HZ1      LYS  28  -9.517  -3.883  16.160
  192    HZ2  LYS  28           HZ2      LYS  28  -8.079  -3.081  15.774
  193    HZ3  LYS  28           HZ3      LYS  28  -8.029  -4.654  16.395
  194    H    LEU  29           H        LEU  29 -12.066  -6.416  10.263
  195    HA   LEU  29           HA       LEU  29 -10.634  -7.664   8.141
  196    HB2  LEU  29           HB2      LEU  29 -13.459  -6.818   8.592
  197    HB3  LEU  29           HB3      LEU  29 -12.941  -7.259   6.966
  198    HG   LEU  29           HG       LEU  29 -12.625  -9.093   9.333
  199   HD11  LEU  29          HD11      LEU  29 -15.003  -8.501   9.005
  200   HD12  LEU  29          HD12      LEU  29 -14.657 -10.197   8.668
  201   HD13  LEU  29          HD13      LEU  29 -14.883  -9.062   7.337
  202   HD21  LEU  29          HD21      LEU  29 -11.280  -9.383   7.183
  203   HD22  LEU  29          HD22      LEU  29 -12.816  -9.791   6.418
  204   HD23  LEU  29          HD23      LEU  29 -12.207 -10.773   7.752
  205    H    ARG  30           H        ARG  30 -12.223  -4.506   8.490
  206    HA   ARG  30           HA       ARG  30 -11.533  -3.597   5.887
  207    HB2  ARG  30           HB2      ARG  30 -12.324  -2.060   8.368
  208    HB3  ARG  30           HB3      ARG  30 -12.179  -1.359   6.761
  209    HG2  ARG  30           HG2      ARG  30 -13.860  -3.428   6.273
  210    HG3  ARG  30           HG3      ARG  30 -14.313  -2.996   7.923
  211    HD2  ARG  30           HD2      ARG  30 -13.962  -0.643   6.289
  212    HD3  ARG  30           HD3      ARG  30 -15.127  -1.749   5.562
  213    HE   ARG  30           HE       ARG  30 -15.558  -1.281   8.367
  214   HH11  ARG  30          HH11      ARG  30 -16.204  -0.155   5.137
  215   HH12  ARG  30          HH12      ARG  30 -17.654   0.684   5.579
  216   HH21  ARG  30          HH21      ARG  30 -17.465  -0.180   8.962
  217   HH22  ARG  30          HH22      ARG  30 -18.370   0.670   7.756
  218    H    ALA  31           H        ALA  31  -9.730  -4.003   8.715
  219    HA   ALA  31           HA       ALA  31  -7.788  -1.930   8.025
  220    HB1  ALA  31           HB1      ALA  31  -7.795  -3.812  10.380
  221    HB2  ALA  31           HB2      ALA  31  -6.750  -2.410  10.151
  222    HB3  ALA  31           HB3      ALA  31  -8.485  -2.189  10.379
  223    H    ASN  32           H        ASN  32  -7.823  -5.434   8.692
  224    HA   ASN  32           HA       ASN  32  -5.178  -5.782   7.615
  225    HB2  ASN  32           HB2      ASN  32  -7.256  -7.830   8.422
  226    HB3  ASN  32           HB3      ASN  32  -5.575  -8.183   8.031
  227   HD21  ASN  32          HD21      ASN  32  -7.579  -7.957  10.510
  228   HD22  ASN  32          HD22      ASN  32  -6.514  -7.391  11.747
  229    H    CYS  33           H        CYS  33  -8.286  -5.572   6.308
  230    HA   CYS  33           HA       CYS  33  -7.291  -6.542   3.731
  231    HB2  CYS  33           HB2      CYS  33 -10.058  -7.249   4.703
  232    HB3  CYS  33           HB3      CYS  33  -9.221  -7.860   3.279
  233    H    LYS  34           H        LYS  34  -7.193  -4.027   3.914
  234    HA   LYS  34           HA       LYS  34  -9.536  -2.493   3.717
  235    HB2  LYS  34           HB2      LYS  34  -6.915  -1.818   2.386
  236    HB3  LYS  34           HB3      LYS  34  -8.141  -0.706   2.980
  237    HG2  LYS  34           HG2      LYS  34  -7.510  -2.065   5.246
  238    HG3  LYS  34           HG3      LYS  34  -5.960  -2.045   4.401
  239    HD2  LYS  34           HD2      LYS  34  -7.328   0.523   4.304
  240    HD3  LYS  34           HD3      LYS  34  -6.999  -0.012   5.954
  241    HE2  LYS  34           HE2      LYS  34  -4.762   0.197   5.713
  242    HE3  LYS  34           HE3      LYS  34  -4.787  -0.344   4.035
  243    HZ1  LYS  34           HZ1      LYS  34  -5.776   2.324   4.852
  244    HZ2  LYS  34           HZ2      LYS  34  -5.385   1.787   3.297
  245    HZ3  LYS  34           HZ3      LYS  34  -4.160   2.049   4.434
  246    H    LYS  35           H        LYS  35  -7.916  -4.505   1.430
  247    HA   LYS  35           HA       LYS  35  -9.167  -3.310  -0.886
  248    HB2  LYS  35           HB2      LYS  35  -6.884  -4.662  -0.642
  249    HB3  LYS  35           HB3      LYS  35  -7.940  -6.022  -1.002
  250    HG2  LYS  35           HG2      LYS  35  -8.386  -5.291  -3.132
  251    HG3  LYS  35           HG3      LYS  35  -8.040  -3.605  -2.741
  252    HD2  LYS  35           HD2      LYS  35  -5.717  -5.297  -2.368
  253    HD3  LYS  35           HD3      LYS  35  -6.344  -5.399  -4.015
  254    HE2  LYS  35           HE2      LYS  35  -6.325  -2.916  -4.111
  255    HE3  LYS  35           HE3      LYS  35  -5.559  -2.898  -2.524
  256    HZ1  LYS  35           HZ1      LYS  35  -3.825  -4.406  -3.641
  257    HZ2  LYS  35           HZ2      LYS  35  -3.783  -2.748  -3.971
  258    HZ3  LYS  35           HZ3      LYS  35  -4.454  -3.817  -5.097
  259    H    THR  36           H        THR  36  -9.328  -6.532   0.641
  260    HA   THR  36           HA       THR  36 -11.418  -7.593  -0.796
  261    HB   THR  36           HB       THR  36 -10.848  -7.996   2.146
  262    HG1  THR  36           HG1      THR  36  -9.265  -8.529   0.292
  263   HG21  THR  36          HG21      THR  36 -13.104  -8.748   1.544
  264   HG22  THR  36          HG22      THR  36 -12.047 -10.114   1.901
  265   HG23  THR  36          HG23      THR  36 -12.432  -9.710   0.228
  266    H    CYS  37           H        CYS  37 -11.522  -5.231   1.775
  267    HA   CYS  37           HA       CYS  37 -14.420  -5.369   1.973
  268    HB2  CYS  37           HB2      CYS  37 -12.408  -3.583   3.356
  269    HB3  CYS  37           HB3      CYS  37 -14.138  -3.587   3.683
  270    H    GLY  38           H        GLY  38 -11.946  -3.420   0.487
  271    HA2  GLY  38           HA2      GLY  38 -12.210  -1.927  -1.278
  272    HA3  GLY  38           HA3      GLY  38 -13.953  -2.046  -1.082
  273    H    LEU  39           H        LEU  39 -11.030  -0.552   0.206
  274    HA   LEU  39           HA       LEU  39 -12.709   1.645   1.221
  275    HB2  LEU  39           HB2      LEU  39 -10.220   0.469   2.443
  276    HB3  LEU  39           HB3      LEU  39 -10.942   1.991   2.959
  277    HG   LEU  39           HG       LEU  39 -12.710  -0.381   2.976
  278   HD11  LEU  39          HD11      LEU  39 -11.212  -0.232   5.440
  279   HD12  LEU  39          HD12      LEU  39 -10.173  -0.643   4.076
  280   HD13  LEU  39          HD13      LEU  39 -11.591  -1.629   4.433
  281   HD21  LEU  39          HD21      LEU  39 -13.724   0.714   4.756
  282   HD22  LEU  39          HD22      LEU  39 -13.201   2.041   3.719
  283   HD23  LEU  39          HD23      LEU  39 -12.268   1.624   5.157
  284    H    CYS  40           H        CYS  40 -10.424   0.745  -0.986
  285    HA   CYS  40           HA       CYS  40  -8.749   3.071  -0.944
  286    HB2  CYS  40           HB2      CYS  40  -9.143   1.213  -3.286
  287    HB3  CYS  40           HB3      CYS  40  -7.727   2.184  -2.896
  Start of MODEL   20
    1    H1   ALA   1           H        ALA   1  -0.388   7.412   0.182
    2    HA   ALA   1           HA       ALA   1  -0.261   5.847   2.017
    3    HB1  ALA   1           HB1      ALA   1  -1.542   6.474   3.736
    4    HB2  ALA   1           HB2      ALA   1  -2.711   7.281   2.690
    5    HB3  ALA   1           HB3      ALA   1  -2.818   5.541   2.952
    6    H    ALA   2           H        ALA   2   0.042   4.238   0.562
    7    HA   ALA   2           HA       ALA   2  -1.738   3.420  -1.427
    8    HB1  ALA   2           HB1      ALA   2   0.372   1.785  -0.023
    9    HB2  ALA   2           HB2      ALA   2  -0.397   1.379  -1.559
   10    HB3  ALA   2           HB3      ALA   2   0.622   2.814  -1.434
   11    H    CYS   3           H        CYS   3  -2.877   1.329  -1.568
   12    HA   CYS   3           HA       CYS   3  -3.943   0.416   1.014
   13    HB2  CYS   3           HB2      CYS   3  -5.418   2.064  -0.450
   14    HB3  CYS   3           HB3      CYS   3  -5.787   0.583  -1.328
   15    H    SER   4           H        SER   4  -4.413  -1.746   1.161
   16    HA   SER   4           HA       SER   4  -4.763  -3.533  -0.949
   17    HB2  SER   4           HB2      SER   4  -1.934  -2.969  -0.237
   18    HB3  SER   4           HB3      SER   4  -2.370  -4.661  -0.478
   19    HG   SER   4           HG       SER   4  -1.839  -3.940  -2.467
   20    H    ASP   5           H        ASP   5  -3.811  -5.874  -0.082
   21    HA   ASP   5           HA       ASP   5  -5.056  -6.133   2.559
   22    HB2  ASP   5           HB2      ASP   5  -4.310  -8.517   0.929
   23    HB3  ASP   5           HB3      ASP   5  -5.705  -8.262   1.974
   24    H    ARG   6           H        ARG   6  -4.011  -6.970   4.302
   25    HA   ARG   6           HA       ARG   6  -1.155  -7.608   3.946
   26    HB2  ARG   6           HB2      ARG   6  -1.170  -6.871   6.498
   27    HB3  ARG   6           HB3      ARG   6  -0.985  -5.702   5.198
   28    HG2  ARG   6           HG2      ARG   6  -3.726  -6.333   6.163
   29    HG3  ARG   6           HG3      ARG   6  -2.686  -5.309   7.155
   30    HD2  ARG   6           HD2      ARG   6  -3.129  -4.780   4.232
   31    HD3  ARG   6           HD3      ARG   6  -4.218  -4.155   5.469
   32    HE   ARG   6           HE       ARG   6  -1.663  -3.130   4.784
   33   HH11  ARG   6          HH11      ARG   6  -3.793  -3.659   7.486
   34   HH12  ARG   6          HH12      ARG   6  -3.142  -2.354   8.422
   35   HH21  ARG   6          HH21      ARG   6  -0.798  -1.409   6.006
   36   HH22  ARG   6          HH22      ARG   6  -1.439  -1.074   7.579
   37    H    ALA   7           H        ALA   7  -4.188  -8.507   5.375
   38    HA   ALA   7           HA       ALA   7  -3.445 -10.330   7.307
   39    HB1  ALA   7           HB1      ALA   7  -5.617 -10.898   7.355
   40    HB2  ALA   7           HB2      ALA   7  -5.807  -9.560   6.221
   41    HB3  ALA   7           HB3      ALA   7  -5.679 -11.213   5.621
   42    H    HIS   8           H        HIS   8  -3.835 -12.794   7.055
   43    HA   HIS   8           HA       HIS   8  -1.740 -13.913   5.653
   44    HB2  HIS   8           HB2      HIS   8  -4.221 -14.983   6.896
   45    HB3  HIS   8           HB3      HIS   8  -3.346 -16.049   5.800
   46    HD1  HIS   8           HD1      HIS   8  -1.398 -17.269   6.760
   47    HD2  HIS   8           HD2      HIS   8  -2.560 -14.056   9.124
   48    HE1  HIS   8           HE1      HIS   8  -0.006 -17.432   8.848
   49    H    GLY   9           H        GLY   9  -4.932 -13.099   4.537
   50    HA2  GLY   9           HA2      GLY   9  -5.046 -12.688   2.094
   51    HA3  GLY   9           HA3      GLY   9  -4.241 -14.237   1.898
   52    H    HIS  10           H        HIS  10  -5.516 -16.022   3.277
   53    HA   HIS  10           HA       HIS  10  -8.035 -16.275   1.955
   54    HB2  HIS  10           HB2      HIS  10  -8.198 -18.404   3.301
   55    HB3  HIS  10           HB3      HIS  10  -6.765 -18.272   2.285
   56    HD1  HIS  10           HD1      HIS  10  -7.834 -18.132   5.891
   57    HD2  HIS  10           HD2      HIS  10  -4.352 -18.303   3.631
   58    HE1  HIS  10           HE1      HIS  10  -5.984 -18.567   7.538
   59    H    ILE  11           H        ILE  11  -7.047 -14.881   4.887
   60    HA   ILE  11           HA       ILE  11  -9.379 -15.351   6.443
   61    HB   ILE  11           HB       ILE  11  -7.356 -13.118   6.660
   62   HG12  ILE  11          HG12      ILE  11  -6.971 -15.827   7.041
   63   HG13  ILE  11          HG13      ILE  11  -5.984 -14.543   7.729
   64   HG21  ILE  11          HG21      ILE  11  -8.176 -12.978   9.011
   65   HG22  ILE  11          HG22      ILE  11  -9.359 -12.482   7.802
   66   HG23  ILE  11          HG23      ILE  11  -9.489 -14.067   8.564
   67   HD11  ILE  11          HD11      ILE  11  -6.742 -16.260   9.357
   68   HD12  ILE  11          HD12      ILE  11  -7.207 -14.610   9.773
   69   HD13  ILE  11          HD13      ILE  11  -8.397 -15.714   9.086
   70    H    CYS  12           H        CYS  12  -8.311 -12.611   4.445
   71    HA   CYS  12           HA       CYS  12 -10.463 -10.909   4.907
   72    HB2  CYS  12           HB2      CYS  12  -8.963 -11.193   2.297
   73    HB3  CYS  12           HB3      CYS  12  -9.825  -9.770   2.873
   74    H    GLU  13           H        GLU  13 -10.072 -13.449   2.464
   75    HA   GLU  13           HA       GLU  13 -12.638 -12.985   1.282
   76    HB2  GLU  13           HB2      GLU  13 -10.440 -14.955   0.941
   77    HB3  GLU  13           HB3      GLU  13 -12.043 -15.447   0.411
   78    HG2  GLU  13           HG2      GLU  13 -11.289 -12.777  -0.487
   79    HG3  GLU  13           HG3      GLU  13 -10.226 -14.053  -1.078
   80    H    SER  14           H        SER  14 -11.324 -15.290   3.614
   81    HA   SER  14           HA       SER  14 -13.551 -16.970   3.826
   82    HB2  SER  14           HB2      SER  14 -11.304 -16.279   5.702
   83    HB3  SER  14           HB3      SER  14 -12.607 -17.351   6.216
   84    HG   SER  14           HG       SER  14 -10.887 -18.536   5.327
   85    H    PHE  15           H        PHE  15 -13.053 -13.759   4.924
   86    HA   PHE  15           HA       PHE  15 -15.702 -13.778   6.160
   87    HB2  PHE  15           HB2      PHE  15 -13.217 -12.684   7.494
   88    HB3  PHE  15           HB3      PHE  15 -14.861 -12.401   8.060
   89    HD1  PHE  15           HD1      PHE  15 -16.272 -14.497   8.593
   90    HD2  PHE  15           HD2      PHE  15 -12.029 -14.510   8.263
   91    HE1  PHE  15           HE1      PHE  15 -16.180 -16.577   9.904
   92    HE2  PHE  15           HE2      PHE  15 -11.930 -16.590   9.572
   93    HZ   PHE  15           HZ       PHE  15 -14.007 -17.627  10.394
   94    H    LYS  16           H        LYS  16 -14.919 -12.821   3.635
   95    HA   LYS  16           HA       LYS  16 -14.406 -10.021   3.682
   96    HB2  LYS  16           HB2      LYS  16 -15.124 -10.135   1.272
   97    HB3  LYS  16           HB3      LYS  16 -13.813 -11.222   1.709
   98    HG2  LYS  16           HG2      LYS  16 -14.979 -13.009   1.100
   99    HG3  LYS  16           HG3      LYS  16 -16.391 -12.491   2.025
  100    HD2  LYS  16           HD2      LYS  16 -15.817 -11.041  -0.497
  101    HD3  LYS  16           HD3      LYS  16 -16.407 -12.699  -0.637
  102    HE2  LYS  16           HE2      LYS  16 -18.011 -11.479   1.308
  103    HE3  LYS  16           HE3      LYS  16 -17.843 -10.291   0.016
  104    HZ1  LYS  16           HZ1      LYS  16 -19.111 -12.928  -0.036
  105    HZ2  LYS  16           HZ2      LYS  16 -18.360 -12.388  -1.452
  106    HZ3  LYS  16           HZ3      LYS  16 -19.605 -11.478  -0.755
  107    H    SER  17           H        SER  17 -17.293 -11.986   3.744
  108    HA   SER  17           HA       SER  17 -19.109  -9.863   3.141
  109    HB2  SER  17           HB2      SER  17 -19.338 -12.695   4.029
  110    HB3  SER  17           HB3      SER  17 -20.714 -11.637   4.339
  111    HG   SER  17           HG       SER  17 -20.971 -12.551   2.319
  112    H    PHE  18           H        PHE  18 -17.284 -10.619   5.854
  113    HA   PHE  18           HA       PHE  18 -19.182  -9.394   7.718
  114    HB2  PHE  18           HB2      PHE  18 -16.523 -10.728   8.271
  115    HB3  PHE  18           HB3      PHE  18 -17.667 -10.163   9.484
  116    HD1  PHE  18           HD1      PHE  18 -17.206 -12.597   6.737
  117    HD2  PHE  18           HD2      PHE  18 -19.447 -11.514  10.190
  118    HE1  PHE  18           HE1      PHE  18 -18.322 -14.790   6.696
  119    HE2  PHE  18           HE2      PHE  18 -20.566 -13.705  10.155
  120    HZ   PHE  18           HZ       PHE  18 -20.004 -15.346   8.407
  121    H    CYS  19           H        CYS  19 -17.305  -8.141   5.569
  122    HA   CYS  19           HA       CYS  19 -15.477  -6.506   7.008
  123    HB2  CYS  19           HB2      CYS  19 -16.508  -6.633   4.220
  124    HB3  CYS  19           HB3      CYS  19 -15.793  -5.112   4.745
  125    H    LYS  20           H        LYS  20 -18.855  -6.333   6.405
  126    HA   LYS  20           HA       LYS  20 -18.957  -3.498   7.143
  127    HB2  LYS  20           HB2      LYS  20 -21.385  -3.707   6.540
  128    HB3  LYS  20           HB3      LYS  20 -20.272  -3.998   5.211
  129    HG2  LYS  20           HG2      LYS  20 -21.196  -5.972   4.849
  130    HG3  LYS  20           HG3      LYS  20 -20.795  -6.479   6.492
  131    HD2  LYS  20           HD2      LYS  20 -23.132  -6.721   6.314
  132    HD3  LYS  20           HD3      LYS  20 -22.886  -5.229   7.224
  133    HE2  LYS  20           HE2      LYS  20 -23.248  -3.921   5.204
  134    HE3  LYS  20           HE3      LYS  20 -23.431  -5.398   4.261
  135    HZ1  LYS  20           HZ1      LYS  20 -25.362  -4.015   5.816
  136    HZ2  LYS  20           HZ2      LYS  20 -25.223  -5.618   6.338
  137    HZ3  LYS  20           HZ3      LYS  20 -25.584  -5.285   4.719
  138    H    ASP  21           H        ASP  21 -18.509  -6.010   8.888
  139    HA   ASP  21           HA       ASP  21 -20.782  -5.998  10.660
  140    HB2  ASP  21           HB2      ASP  21 -18.106  -7.364  10.666
  141    HB3  ASP  21           HB3      ASP  21 -19.123  -7.382  12.104
  142    H    SER  22           H        SER  22 -21.026  -4.915  12.537
  143    HA   SER  22           HA       SER  22 -19.243  -2.712  13.057
  144    HB2  SER  22           HB2      SER  22 -21.912  -3.590  14.039
  145    HB3  SER  22           HB3      SER  22 -20.964  -2.549  15.100
  146    HG   SER  22           HG       SER  22 -21.683  -2.003  12.408
  147    H    GLY  23           H        GLY  23 -19.106  -5.892  13.844
  148    HA2  GLY  23           HA2      GLY  23 -18.218  -5.578  16.594
  149    HA3  GLY  23           HA3      GLY  23 -18.315  -7.084  15.693
  150    H    ARG  24           H        ARG  24 -16.151  -6.951  17.113
  151    HA   ARG  24           HA       ARG  24 -13.943  -5.531  16.216
  152    HB2  ARG  24           HB2      ARG  24 -12.592  -7.395  17.197
  153    HB3  ARG  24           HB3      ARG  24 -13.822  -6.749  18.275
  154    HG2  ARG  24           HG2      ARG  24 -15.162  -8.783  17.044
  155    HG3  ARG  24           HG3      ARG  24 -13.523  -9.427  17.156
  156    HD2  ARG  24           HD2      ARG  24 -13.859  -9.887  19.300
  157    HD3  ARG  24           HD3      ARG  24 -14.114  -8.173  19.621
  158    HE   ARG  24           HE       ARG  24 -16.139 -10.218  19.352
  159   HH11  ARG  24          HH11      ARG  24 -15.428  -6.810  19.350
  160   HH12  ARG  24          HH12      ARG  24 -17.052  -6.339  19.727
  161   HH21  ARG  24          HH21      ARG  24 -18.281  -9.610  19.848
  162   HH22  ARG  24          HH22      ARG  24 -18.674  -7.932  20.010
  163    H    ASN  25           H        ASN  25 -15.200  -8.655  15.115
  164    HA   ASN  25           HA       ASN  25 -13.188  -9.412  13.385
  165    HB2  ASN  25           HB2      ASN  25 -16.119  -9.903  13.519
  166    HB3  ASN  25           HB3      ASN  25 -15.302 -10.317  12.014
  167   HD21  ASN  25          HD21      ASN  25 -16.407 -11.656  14.674
  168   HD22  ASN  25          HD22      ASN  25 -15.246 -12.910  14.931
  169    H    GLY  26           H        GLY  26 -15.799  -7.098  12.872
  170    HA2  GLY  26           HA2      GLY  26 -15.328  -6.716  10.093
  171    HA3  GLY  26           HA3      GLY  26 -16.231  -5.638  11.148
  172    H    VAL  27           H        VAL  27 -14.334  -4.860  12.960
  173    HA   VAL  27           HA       VAL  27 -13.006  -2.800  11.627
  174    HB   VAL  27           HB       VAL  27 -12.198  -3.958  14.296
  175   HG11  VAL  27          HG11      VAL  27 -10.571  -2.409  13.756
  176   HG12  VAL  27          HG12      VAL  27 -11.700  -1.370  12.884
  177   HG13  VAL  27          HG13      VAL  27 -11.732  -1.425  14.647
  178   HG21  VAL  27          HG21      VAL  27 -13.754  -2.180  15.201
  179   HG22  VAL  27          HG22      VAL  27 -14.421  -2.061  13.572
  180   HG23  VAL  27          HG23      VAL  27 -14.529  -3.581  14.461
  181    H    LYS  28           H        LYS  28 -11.745  -5.886  12.858
  182    HA   LYS  28           HA       LYS  28  -9.071  -5.465  12.074
  183    HB2  LYS  28           HB2      LYS  28 -10.625  -8.013  12.544
  184    HB3  LYS  28           HB3      LYS  28  -8.889  -7.966  12.263
  185    HG2  LYS  28           HG2      LYS  28 -10.315  -6.601  14.538
  186    HG3  LYS  28           HG3      LYS  28  -9.457  -8.140  14.643
  187    HD2  LYS  28           HD2      LYS  28  -7.428  -6.852  13.753
  188    HD3  LYS  28           HD3      LYS  28  -8.339  -5.395  14.155
  189    HE2  LYS  28           HE2      LYS  28  -8.228  -5.787  16.416
  190    HE3  LYS  28           HE3      LYS  28  -8.059  -7.530  16.214
  191    HZ1  LYS  28           HZ1      LYS  28  -5.820  -6.511  15.047
  192    HZ2  LYS  28           HZ2      LYS  28  -5.908  -7.195  16.591
  193    HZ3  LYS  28           HZ3      LYS  28  -6.033  -5.519  16.400
  194    H    LEU  29           H        LEU  29 -11.885  -6.583  10.352
  195    HA   LEU  29           HA       LEU  29 -10.530  -7.754   8.150
  196    HB2  LEU  29           HB2      LEU  29 -13.310  -6.810   8.675
  197    HB3  LEU  29           HB3      LEU  29 -12.828  -7.184   7.022
  198    HG   LEU  29           HG       LEU  29 -12.582  -9.152   9.288
  199   HD11  LEU  29          HD11      LEU  29 -14.825  -8.949   7.287
  200   HD12  LEU  29          HD12      LEU  29 -14.935  -8.432   8.970
  201   HD13  LEU  29          HD13      LEU  29 -14.655 -10.131   8.586
  202   HD21  LEU  29          HD21      LEU  29 -11.240  -9.387   7.131
  203   HD22  LEU  29          HD22      LEU  29 -12.787  -9.691   6.340
  204   HD23  LEU  29          HD23      LEU  29 -12.226 -10.764   7.623
  205    H    ARG  30           H        ARG  30 -11.968  -4.548   8.674
  206    HA   ARG  30           HA       ARG  30 -11.283  -3.537   6.113
  207    HB2  ARG  30           HB2      ARG  30 -11.895  -2.071   8.686
  208    HB3  ARG  30           HB3      ARG  30 -11.800  -1.324   7.097
  209    HG2  ARG  30           HG2      ARG  30 -13.598  -3.342   6.682
  210    HG3  ARG  30           HG3      ARG  30 -13.963  -2.836   8.333
  211    HD2  ARG  30           HD2      ARG  30 -13.541  -0.547   6.641
  212    HD3  ARG  30           HD3      ARG  30 -14.771  -1.606   5.952
  213    HE   ARG  30           HE       ARG  30 -15.113  -1.047   8.759
  214   HH11  ARG  30          HH11      ARG  30 -15.824  -0.036   5.505
  215   HH12  ARG  30          HH12      ARG  30 -17.238   0.859   5.952
  216   HH21  ARG  30          HH21      ARG  30 -16.974   0.127   9.361
  217   HH22  ARG  30          HH22      ARG  30 -17.891   0.951   8.146
  218    H    ALA  31           H        ALA  31  -9.469  -4.104   8.938
  219    HA   ALA  31           HA       ALA  31  -7.426  -2.131   8.291
  220    HB1  ALA  31           HB1      ALA  31  -6.352  -2.817  10.345
  221    HB2  ALA  31           HB2      ALA  31  -8.064  -2.512  10.641
  222    HB3  ALA  31           HB3      ALA  31  -7.473  -4.168  10.513
  223    H    ASN  32           H        ASN  32  -7.557  -5.663   8.789
  224    HA   ASN  32           HA       ASN  32  -4.981  -6.069   7.608
  225    HB2  ASN  32           HB2      ASN  32  -7.154  -8.075   8.253
  226    HB3  ASN  32           HB3      ASN  32  -5.482  -8.462   7.856
  227   HD21  ASN  32          HD21      ASN  32  -7.539  -8.289  10.321
  228   HD22  ASN  32          HD22      ASN  32  -6.462  -7.886  11.611
  229    H    CYS  33           H        CYS  33  -8.088  -5.595   6.365
  230    HA   CYS  33           HA       CYS  33  -7.174  -6.435   3.710
  231    HB2  CYS  33           HB2      CYS  33 -10.028  -6.925   4.473
  232    HB3  CYS  33           HB3      CYS  33  -9.063  -7.693   3.217
  233    H    LYS  34           H        LYS  34  -6.860  -3.967   4.020
  234    HA   LYS  34           HA       LYS  34  -9.080  -2.237   3.963
  235    HB2  LYS  34           HB2      LYS  34  -6.385  -1.711   2.709
  236    HB3  LYS  34           HB3      LYS  34  -7.538  -0.521   3.299
  237    HG2  LYS  34           HG2      LYS  34  -7.103  -2.004   5.535
  238    HG3  LYS  34           HG3      LYS  34  -5.526  -2.077   4.745
  239    HD2  LYS  34           HD2      LYS  34  -6.665   0.593   4.681
  240    HD3  LYS  34           HD3      LYS  34  -6.485  -0.015   6.328
  241    HE2  LYS  34           HE2      LYS  34  -4.214  -0.071   6.204
  242    HE3  LYS  34           HE3      LYS  34  -4.208  -0.427   4.477
  243    HZ1  LYS  34           HZ1      LYS  34  -5.264   2.093   4.675
  244    HZ2  LYS  34           HZ2      LYS  34  -3.696   1.697   4.181
  245    HZ3  LYS  34           HZ3      LYS  34  -3.999   2.087   5.799
  246    H    LYS  35           H        LYS  35  -7.745  -4.295   1.583
  247    HA   LYS  35           HA       LYS  35  -8.985  -2.827  -0.620
  248    HB2  LYS  35           HB2      LYS  35  -6.745  -3.660  -1.027
  249    HB3  LYS  35           HB3      LYS  35  -7.234  -5.290  -0.582
  250    HG2  LYS  35           HG2      LYS  35  -8.982  -4.546  -2.619
  251    HG3  LYS  35           HG3      LYS  35  -7.399  -3.952  -3.125
  252    HD2  LYS  35           HD2      LYS  35  -6.653  -6.019  -3.536
  253    HD3  LYS  35           HD3      LYS  35  -7.274  -6.630  -2.001
  254    HE2  LYS  35           HE2      LYS  35  -8.456  -7.838  -3.611
  255    HE3  LYS  35           HE3      LYS  35  -9.575  -6.564  -3.129
  256    HZ1  LYS  35           HZ1      LYS  35  -7.844  -6.505  -5.542
  257    HZ2  LYS  35           HZ2      LYS  35  -8.951  -5.310  -5.087
  258    HZ3  LYS  35           HZ3      LYS  35  -9.501  -6.845  -5.534
  259    H    THR  36           H        THR  36  -9.055  -6.074   0.832
  260    HA   THR  36           HA       THR  36 -11.082  -7.166  -0.730
  261    HB   THR  36           HB       THR  36 -10.702  -7.775   2.202
  262    HG1  THR  36           HG1      THR  36  -8.675  -7.930   1.276
  263   HG21  THR  36          HG21      THR  36 -12.600  -8.753   0.658
  264   HG22  THR  36          HG22      THR  36 -11.736  -9.788   1.795
  265   HG23  THR  36          HG23      THR  36 -11.295  -9.792   0.088
  266    H    CYS  37           H        CYS  37 -11.252  -4.997   2.008
  267    HA   CYS  37           HA       CYS  37 -14.121  -5.282   2.279
  268    HB2  CYS  37           HB2      CYS  37 -12.067  -3.543   3.639
  269    HB3  CYS  37           HB3      CYS  37 -13.794  -3.358   3.931
  270    H    GLY  38           H        GLY  38 -12.330  -3.899  -0.009
  271    HA2  GLY  38           HA2      GLY  38 -12.626  -2.187  -1.514
  272    HA3  GLY  38           HA3      GLY  38 -14.337  -2.397  -1.171
  273    H    LEU  39           H        LEU  39 -11.440  -0.932   0.303
  274    HA   LEU  39           HA       LEU  39 -13.144   1.318   1.149
  275    HB2  LEU  39           HB2      LEU  39 -10.564   0.364   2.382
  276    HB3  LEU  39           HB3      LEU  39 -11.551   1.709   2.949
  277    HG   LEU  39           HG       LEU  39 -12.924  -0.894   2.807
  278   HD11  LEU  39          HD11      LEU  39 -10.534  -0.424   4.542
  279   HD12  LEU  39          HD12      LEU  39 -10.997  -1.868   3.643
  280   HD13  LEU  39          HD13      LEU  39 -11.872  -1.424   5.108
  281   HD21  LEU  39          HD21      LEU  39 -12.813   0.719   5.270
  282   HD22  LEU  39          HD22      LEU  39 -14.194   0.003   4.438
  283   HD23  LEU  39          HD23      LEU  39 -13.503   1.519   3.857
  284    H    CYS  40           H        CYS  40 -10.769   0.402  -0.989
  285    HA   CYS  40           HA       CYS  40 -10.065   3.200  -1.492
  286    HB2  CYS  40           HB2      CYS  40  -7.991   1.007  -1.566
  287    HB3  CYS  40           HB3      CYS  40  -7.731   2.742  -1.722