*HEADER    TOXIN                                   14-JUN-16   5LAH              
*TITLE     NMR STRUCTURE OF THE SEA ANEMONE PEPTIDE TAU-ANMTX UEQ 12-1 WITH AN   
*TITLE    2 UNCOMMON FOLD                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TAU-ANMTX UEQ 12-1;                                        
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: URTICINA EQUES;                                 
*SOURCE   3 ORGANISM_TAXID: 417072                                               
*KEYWDS    PROTEIN, SEA ANEMONE, ANTIMICROBIAL PEPTIDE, TRPA1 POTENTIATOR,       
*KEYWDS   2 MEMBRANE PROTEIN, TOXIN                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    K.S.MINEEV,A.S.ARSENIEV,Y.A.ANDREEV,S.A.KOZLOV,YU.A.LOGASHINA         
*REVDAT   1   10-MAY-17 5LAH    0                                                
# Restraints file 1: ue.upl
 39 GLY  H      39 GLY  HA2     2.95            #peak 1
 39 GLY  HA2    40 ASP  H       3.94            #peak 2
 33 HIS  H      33 HIS  HA      3.18            #peak 5
  9 GLY  H      33 HIS  HA      3.20  2.00E+01  #peak 6
 33 HIS  H      33 HIS  HB2     3.48            #peak 16
 17 CYSS HB3    18 GLU  H       3.81            #peak 17
 41 ARG  HB3    42 CYSS H       3.68            #peak 18
 41 ARG  H      41 ARG  HB3     3.30            #peak 19
  1 CYSS HB3     2 TYR  H       3.63            #peak 21
  7 GLY  H       7 GLY  HA2     3.59            #peak 22
  7 GLY  HA2     8 CYSS H       3.89            #peak 23
 24 SER  QB     25 GLY  H       3.82            #peak 24
 24 SER  H      24 SER  QB      2.77            #peak 25
 30 GLY  H      31 SER  H       3.25            #peak 29
 33 HIS  HA     34 TRP  H       2.82            #peak 34
 29 CYSS H      42 CYSS H       4.91            #peak 41
 19 GLY  HA2    20 ALA  H       3.79            #peak 46
  2 TYR  H      15 ASN  HD21    3.66            #peak 59
 12 SER  H      15 ASN  HD21    0.00
 30 GLY  HA2    33 HIS  H       3.61            #peak 63
 30 GLY  H      30 GLY  HA2     3.29            #peak 64
 23 GLU  H      26 PHE  H       3.95            #peak 69
 27 HIS  H      44 CYSS H       3.15  1.00E+01  #peak 71
 26 PHE  QD     27 HIS  H       3.73            #peak 76
 27 HIS  H      27 HIS  HB3     3.86            #peak 80
 27 HIS  HB3    28 ASP  H       3.90            #peak 81
 35 CYSS HA     36 ASP  H       2.61            #peak 82
 37 ALA  QB     39 GLY  H       3.91            #peak 89
 37 ALA  H      37 ALA  QB      2.78            #peak 90
 37 ALA  QB     38 SER  H       3.43            #peak 91
 37 ALA  QB     40 ASP  H       3.93            #peak 93
 16 TYR  QB     17 CYSS H       2.88            #peak 105
 16 TYR  H      16 TYR  QB      3.32            #peak 106
 27 HIS  H      27 HIS  HB2     3.94            #peak 109
 27 HIS  HB2    28 ASP  H       3.28            #peak 110
 27 HIS  H      27 HIS  HA      3.66            #peak 111
 27 HIS  HA     28 ASP  H       2.66            #peak 113
  9 GLY  HA2    10 HIS  H       2.82            #peak 117
  9 GLY  H       9 GLY  HA2     3.24            #peak 118
 11 CYSS H      12 SER  H       4.49
 11 CYSS H      26 PHE  H       3.64            #peak 126
 11 CYSS H      34 TRP  H       0.00
 39 GLY  H      40 ASP  H       3.17            #peak 146
 14 PRO  HA     15 ASN  H       2.61            #peak 147
 31 SER  H      32 ASP  H       3.28            #peak 148
 43 CYSS HB2    44 CYSS H       4.89            #peak 155
 43 CYSS H      43 CYSS HB2     2.84            #peak 156
 16 TYR  H      43 CYSS HB2     4.00            #peak 157
  6 PRO  HA      7 GLY  H       2.64            #peak 160
 19 GLY  HA3    20 ALA  H       3.70            #peak 161
 19 GLY  H      19 GLY  HA3     2.83            #peak 162
  1 CYSS HB2     2 TYR  H       2.94            #peak 165
 36 ASP  HB2    37 ALA  H       2.77            #peak 167
  8 CYSS HB2     9 GLY  H       4.04            #peak 168
 36 ASP  H      36 ASP  HB2     3.08            #peak 169
 28 ASP  HB2    29 CYSS H       4.28            #peak 170
 28 ASP  H      28 ASP  HB2     2.83            #peak 171
 17 CYSS HA     43 CYSS H       3.98            #peak 173
 17 CYSS HA     18 GLU  H       2.67            #peak 174
 35 CYSS H      35 CYSS HB3     3.56            #peak 176
 35 CYSS HB3    36 ASP  H       3.21            #peak 178
 42 CYSS H      42 CYSS HB2     2.73            #peak 188
 42 CYSS HB2    43 CYSS H       4.35            #peak 189
  4 GLY  HA3     5 GLN  H       4.17            #peak 191
  4 GLY  H       4 GLY  HA3     2.93            #peak 193
 34 TRP  HE3    35 CYSS H       3.80            #peak 195
 36 ASP  H      36 ASP  HB3     3.43            #peak 201
 15 ASN  H      15 ASN  HB3     3.69            #peak 202
 15 ASN  HB3    29 CYSS H       4.90            #peak 203
 15 ASN  HB3    43 CYSS H       0.00
 15 ASN  HB3    16 TYR  H       3.18            #peak 204
  7 GLY  H       8 CYSS H       3.22            #peak 207
 20 ALA  HA     21 ARG  H       3.76            #peak 210
  9 GLY  HA3    10 HIS  H       3.28            #peak 211
  9 GLY  H       9 GLY  HA3     2.86            #peak 212
 22 CYSS H      22 CYSS HB3     3.66            #peak 214
 22 CYSS HB3    23 GLU  H       3.45            #peak 216
 11 CYSS H      11 CYSS HB3     2.95            #peak 232
 11 CYSS HB3    12 SER  H       4.08            #peak 233
 12 SER  HA     13 ARG  H       2.69            #peak 244
 12 SER  H      12 SER  HA      3.57            #peak 245
 40 ASP  HB3    41 ARG  H       3.49            #peak 250
  7 GLY  H       7 GLY  HA3     3.07            #peak 252
  7 GLY  HA3     8 CYSS H       3.64            #peak 253
 32 ASP  H      33 HIS  H       2.92            #peak 257
 29 CYSS H      44 CYSS H       3.39            #peak 260
 30 GLY  H      41 ARG  QH1     3.97            #peak 272
 18 GLU  QB     20 ALA  H       3.75            #peak 284
 30 GLY  HA3    42 CYSS H       4.06            #peak 285
 30 GLY  H      30 GLY  HA3     2.76            #peak 286
 41 ARG  HA     42 CYSS H       2.78            #peak 288
 41 ARG  H      41 ARG  HA      3.02            #peak 289
  2 TYR  H       5 GLN  HG2     3.53            #peak 291
  5 GLN  H       5 GLN  HG2     3.92            #peak 293
 31 SER  H      31 SER  QB      2.93            #peak 299
 31 SER  QB     32 ASP  H       3.63            #peak 300
 13 ARG  HA     41 ARG  H       3.54            #peak 304
 30 GLY  HA2    41 ARG  H       0.00
 14 PRO  HA     41 ARG  H       0.00
  1 CYSS HA     41 ARG  H       0.00
 19 GLY  HA2    41 ARG  H       0.00
 13 ARG  H      13 ARG  HA      3.05            #peak 305
 26 PHE  H      26 PHE  HB2     2.75            #peak 306
 26 PHE  HB2    27 HIS  H       4.21            #peak 307
 23 GLU  H      26 PHE  HB2     3.78            #peak 311
 45 ALA  H      45 ALA  QB      2.82            #peak 313
 21 ARG  HB3    22 CYSS H       3.27            #peak 318
 21 ARG  H      21 ARG  HB3     3.51            #peak 319
  8 CYSS H       8 CYSS HB2     3.20            #peak 321
  2 TYR  H       2 TYR  HB3     3.08            #peak 327
 34 TRP  H      34 TRP  HA      3.40            #peak 329
 34 TRP  HA     35 CYSS H       2.61            #peak 330
 16 TYR  H      43 CYSS H       3.17            #peak 335
 18 GLU  QG     20 ALA  H       3.11            #peak 338
 26 PHE  HB3    27 HIS  H       3.08            #peak 340
 26 PHE  HB3    44 CYSS H       4.01            #peak 341
 29 CYSS H      30 GLY  H       2.81            #peak 346
  2 TYR  H       5 GLN  QB      3.30            #peak 370
  5 GLN  H       5 GLN  QB      2.55            #peak 373
 28 ASP  HB3    29 CYSS H       4.95            #peak 374
 28 ASP  H      28 ASP  HB3     2.90            #peak 375
 23 GLU  HA     24 SER  H       2.72            #peak 376
 23 GLU  H      23 GLU  HA      3.22            #peak 377
 18 GLU  HA     19 GLY  H       2.65            #peak 386
  2 TYR  H       2 TYR  HA      3.46            #peak 387
 15 ASN  H      15 ASN  HD21    3.76            #peak 394
 36 ASP  HA     37 ALA  H       2.86            #peak 415
 40 ASP  HA     41 ARG  H       2.65            #peak 425
 40 ASP  H      40 ASP  HA      3.36            #peak 426
 16 TYR  HA     17 CYSS H       2.55            #peak 431
 34 TRP  HB2    35 CYSS H       3.11            #peak 434
 13 ARG  H      13 ARG  HG2     3.48            #peak 435
 29 CYSS H      29 CYSS HB2     4.45            #peak 436
  3 PRO  HA      5 GLN  H       4.28            #peak 440
  3 PRO  HA      4 GLY  H       2.73            #peak 441
  6 PRO  HB2     7 GLY  H       4.13            #peak 442
 21 ARG  HA     22 CYSS H       2.57            #peak 443
 21 ARG  H      21 ARG  HA      3.34            #peak 444
 26 PHE  HA     27 HIS  H       2.79            #peak 445
  4 GLY  HA2     5 GLN  H       3.80            #peak 451
  4 GLY  H       4 GLY  HA2     3.41            #peak 452
 21 ARG  H      21 ARG  HB2     3.21            #peak 459
 22 CYSS H      22 CYSS HB2     2.92            #peak 460
 22 CYSS HB2    23 GLU  H       4.06            #peak 461
 38 SER  H      38 SER  QB      2.83            #peak 462
 11 CYSS H      11 CYSS HA      3.56            #peak 463
 11 CYSS HA     12 SER  H       2.62            #peak 465
 39 GLY  H      39 GLY  HA3     2.82            #peak 487
 39 GLY  HA3    40 ASP  H       3.73            #peak 488
 40 ASP  HB2    41 ARG  H       4.65            #peak 496
 40 ASP  H      40 ASP  HB2     2.86            #peak 497
 44 CYSS H      44 CYSS HA      3.47            #peak 498
 44 CYSS HA     45 ALA  H       2.61            #peak 499
 28 ASP  HA     44 CYSS H       4.59            #peak 510
 28 ASP  HA     29 CYSS H       2.60            #peak 512
 28 ASP  H      28 ASP  HA      3.29            #peak 513
 32 ASP  HA     33 HIS  H       3.74            #peak 519
 24 SER  HA     25 GLY  H       2.68            #peak 523
 31 SER  H      31 SER  HA      3.32            #peak 524
 31 SER  HA     32 ASP  H       4.20            #peak 525
 42 CYSS H      42 CYSS HA      3.12            #peak 528
 42 CYSS HA     43 CYSS H       2.50            #peak 529
  5 GLN  H       5 GLN  HA      3.49            #peak 537
 27 HIS  H      43 CYSS HB3     4.78            #peak 540
 43 CYSS HB3    44 CYSS H       3.97            #peak 541
 43 CYSS H      43 CYSS HB3     3.64            #peak 544
 29 CYSS HB3    44 CYSS H       4.55            #peak 548
 29 CYSS H      29 CYSS HB3     3.99            #peak 549
 34 TRP  H      34 TRP  HB3     3.37            #peak 552
 34 TRP  HB3    35 CYSS H       4.27            #peak 554
 45 ALA  H      45 ALA  HA      3.44            #peak 556
  8 CYSS H       8 CYSS HB3     3.24            #peak 563
  5 GLN  H       8 CYSS HB3     3.85  5.00E+01  #peak 566
 25 GLY  HA3    26 PHE  H       3.64            #peak 567
 25 GLY  H      25 GLY  HA3     2.92            #peak 568
 41 ARG  H      41 ARG  HG2     3.18            #peak 570
 42 CYSS HB3    43 CYSS H       4.29            #peak 573
 43 CYSS HA     44 CYSS H       2.64            #peak 574
 43 CYSS H      43 CYSS HA      3.06            #peak 575
 14 PRO  QD     15 ASN  H       3.64            #peak 583
 29 CYSS HA     31 SER  H       3.88            #peak 584
 29 CYSS H      29 CYSS HA      3.50            #peak 585
 29 CYSS HA     30 GLY  H       3.47            #peak 586
 10 HIS  H      10 HIS  QB      2.78            #peak 590
 16 TYR  QD     17 CYSS H       3.68            #peak 591
 16 TYR  H      16 TYR  QD      3.25            #peak 594
 22 CYSS H      22 CYSS HA      3.50            #peak 599
 22 CYSS HA     23 GLU  H       2.58            #peak 601
 38 SER  HA     39 GLY  H       2.80  1.00E+01  #peak 608
 38 SER  H      38 SER  HA      3.22            #peak 609
 38 SER  HA     40 ASP  H       3.98            #peak 610
  1 CYSS HA      2 TYR  H       3.02            #peak 614
 41 ARG  HB2    42 CYSS H       3.73            #peak 616
 41 ARG  H      41 ARG  HB2     3.62            #peak 617
  5 GLN  H       5 GLN  HG3     3.68            #peak 621
 17 CYSS H      17 CYSS HB2     2.67            #peak 622
 10 HIS  HA     11 CYSS H       2.59            #peak 624
 10 HIS  H      10 HIS  HA      3.25            #peak 625
 27 HIS  H      44 CYSS HB2     4.12            #peak 642
 44 CYSS H      44 CYSS HB2     2.97            #peak 643
 35 CYSS H      35 CYSS HB2     2.87            #peak 645
 36 ASP  HB3    37 ALA  H       3.36            #peak 646
 37 ALA  HA     38 SER  H       2.63            #peak 648
 13 ARG  H      13 ARG  HB2     2.62            #peak 650
  4 GLY  H       5 GLN  H       3.05            #peak 654
  8 CYSS H       8 CYSS HA      3.76            #peak 655
  8 CYSS HA      9 GLY  H       2.78            #peak 656
 20 ALA  H      20 ALA  QB      2.92            #peak 659
 20 ALA  QB     21 ARG  H       2.73            #peak 661
 44 CYSS H      44 CYSS HB3     3.99            #peak 662
 44 CYSS HB3    45 ALA  H       3.26            #peak 664
 28 ASP  H      44 CYSS HB3     4.32            #peak 665
 22 CYSS HB2    28 ASP  H       0.00
 16 TYR  QE     23 GLU  H       3.84            #peak 670
 20 ALA  H      21 ARG  H       3.83            #peak 681
  2 TYR  H      15 ASN  HB2     3.34            #peak 683
  2 TYR  H      42 CYSS HB3     0.00
 12 SER  H      15 ASN  HB2     0.00
 12 SER  H      42 CYSS HB3     0.00
 15 ASN  H      15 ASN  HB2     2.83            #peak 684
 15 ASN  HB2    16 TYR  H       3.72            #peak 686
 23 GLU  QG     26 PHE  QD      3.98            #peak 5
 16 TYR  QD     26 PHE  HZ      4.78            #peak 12
 26 PHE  QE     45 ALA  HA      4.24            #peak 17
 29 CYSS HB2    33 HIS  HE1     3.23            #peak 21
 33 HIS  HA     33 HIS  HB2     3.43            #peak 23
 16 TYR  QE     26 PHE  HB2     3.99            #peak 27
 17 CYSS HA     42 CYSS HA      3.42            #peak 29
 16 TYR  QE     23 GLU  QG      3.37            #peak 30
  2 TYR  HA      3 PRO  HD3     2.60            #peak 34
 37 ALA  QB     40 ASP  HB2     3.14            #peak 37
 23 GLU  QB     26 PHE  QD      3.80            #peak 38
 15 ASN  HA     44 CYSS HA      3.16  1.00E+02  #peak 39
  9 GLY  QA     34 TRP  HH2     3.02  5.00E+01  #peak 50
 35 CYSS HB3    40 ASP  HB2     2.57            #peak 56
 26 PHE  QD     45 ALA  QB      3.67            #peak 58
 14 PRO  HB2    45 ALA  QB      3.28            #peak 59
 14 PRO  HG3    45 ALA  QB      3.04  1.00E+02  #peak 60
 26 PHE  HZ     45 ALA  QB      3.64            #peak 61
 14 PRO  HG2    45 ALA  QB      3.54            #peak 62
 26 PHE  QE     45 ALA  QB      3.16            #peak 63
 27 HIS  HD2    29 CYSS HB3     3.69            #peak 72
  8 CYSS HB3    34 TRP  HD1     3.56            #peak 74
 29 CYSS HB3    44 CYSS HB2     2.90            #peak 94
 22 CYSS HB2    27 HIS  HA      4.07            #peak 96
 26 PHE  HB3    43 CYSS HB3     2.57            #peak 98
 11 CYSS HB2    42 CYSS HB2     2.73            #peak 99
 11 CYSS HB2    15 ASN  HB2     0.00
 11 CYSS HB2    33 HIS  HB3     3.13            #peak 100
 21 ARG  QD     21 ARG  HE      4.10            #peak 103
 16 TYR  QE     26 PHE  QD      3.60            #peak 107
 26 PHE  QD     44 CYSS HA      3.72            #peak 120
  5 GLN  HG2     6 PRO  HD3     4.12            #peak 122
 26 PHE  QD     45 ALA  HA      3.66            #peak 124
 26 PHE  HA     45 ALA  HA      3.19  1.00E+02  #peak 125
 26 PHE  HB2    43 CYSS HB3     3.23            #peak 127
 26 PHE  QD     43 CYSS HB3     3.43            #peak 128
 22 CYSS HB3    43 CYSS HB3     2.91            #peak 129
 16 TYR  QE     43 CYSS HB3     3.67            #peak 131
 16 TYR  QE     18 GLU  HG2     3.43            #peak 132
 15 ASN  HA     16 TYR  QD      4.23            #peak 135
  9 GLY  HA3    33 HIS  HD2     4.08            #peak 136
  2 TYR  HA      3 PRO  HD2     2.73            #peak 138
  2 TYR  QD      3 PRO  HD2     3.94            #peak 139
  2 TYR  HB3     3 PRO  HD2     3.01            #peak 140
 19 GLY  HA2    40 ASP  HA      2.90  1.00E+02  #peak 142
 18 GLU  HG2    22 CYSS HA      2.99            #peak 143
  3 PRO  HA     34 TRP  HD1     3.81  5.00E+01  #peak 144
 16 TYR  QD     26 PHE  QD      3.39            #peak 155
 16 TYR  QD     26 PHE  QE      3.35            #peak 159
  5 GLN  QB      8 CYSS HB3     3.29            #peak 160
  5 GLN  QB     16 TYR  QE      3.30            #peak 161
 16 TYR  QE     18 GLU  QB      0.00
  5 GLN  QB      6 PRO  HD3     3.06            #peak 162
 30 GLY  HA3    33 HIS  HD2     3.34            #peak 164
 11 CYSS HA     33 HIS  HD2     0.00
 35 CYSS HB3    40 ASP  HB3     3.40            #peak 172
  2 TYR  HB2     3 PRO  HD2     0.00
  8 CYSS HA     32 ASP  HA      3.74  5.00E+01  #peak 173
  5 GLN  HA      6 PRO  HD2     2.44            #peak 174
  5 GLN  HA      6 PRO  HB3     4.92            #peak 176
  5 GLN  HA      6 PRO  HD3     2.84            #peak 178
 16 TYR  QE     18 GLU  QB      3.01            #peak 179
 16 TYR  QD     18 GLU  QB      3.78            #peak 180
 11 CYSS HA     41 ARG  HB2     3.97            #peak 182
 30 GLY  HA3    41 ARG  HB2     0.00
 11 CYSS HA     15 ASN  HB2     3.88            #peak 183
 35 CYSS HB2    44 CYSS HA      3.07            #peak 184
 15 ASN  HB3    44 CYSS HA      0.00
 33 HIS  HA     33 HIS  HB3     2.97            #peak 190
 33 HIS  HB3    33 HIS  HD2     3.19            #peak 191
 15 ASN  HB2    33 HIS  HB3     2.65            #peak 192
 33 HIS  HB3    42 CYSS HB3     0.00
 28 ASP  HB2    34 TRP  HB2     2.91            #peak 193
  1 CYSS HB2    28 ASP  HB2     0.00
  8 CYSS HB2    34 TRP  HB2     0.00
  1 CYSS HB2     8 CYSS HB2     0.00
 16 TYR  QE     18 GLU  HA      3.96            #peak 194
 16 TYR  QE     43 CYSS HB2     3.48            #peak 195
 16 TYR  QD     43 CYSS HB2     3.89            #peak 196
 27 HIS  HB2    27 HIS  HD2     3.46            #peak 199
 16 TYR  QE     26 PHE  QE      3.94            #peak 203
 28 ASP  HA     43 CYSS HA      3.50  5.00E+01
 29 CYSS SG     44 CYSS SG      2.10  9.00E+00
 29 CYSS SG     44 CYSS CB      3.10  9.00E+00
 29 CYSS CB     44 CYSS SG      3.10  9.00E+00
 22 CYSS SG     43 CYSS SG      2.10  9.00E+00
 22 CYSS SG     43 CYSS CB      3.10  9.00E+00
 22 CYSS CB     43 CYSS SG      3.10  9.00E+00
  1 CYSS SG      8 CYSS SG      2.10  9.00E+00
  1 CYSS SG      8 CYSS CB      3.10  9.00E+00
  1 CYSS CB      8 CYSS SG      3.10  9.00E+00
 11 CYSS SG     42 CYSS SG      2.10  9.00E+00
 11 CYSS SG     42 CYSS CB      3.10  9.00E+00
 11 CYSS CB     42 CYSS SG      3.10  9.00E+00
 17 CYSS SG     35 CYSS SG      2.10  9.00E+00
 17 CYSS SG     35 CYSS CB      3.10  9.00E+00
 17 CYSS CB     35 CYSS SG      3.10  9.00E+00
 16 TYR  H      43 CYSS O       2.40  9.00E+00
 16 TYR  H      43 CYSS C       3.40  9.00E+00
 16 TYR  N      43 CYSS O       3.40  9.00E+00
 16 TYR  O      43 CYSS H       2.40  9.00E+00
 16 TYR  C      43 CYSS H       3.40  9.00E+00
 16 TYR  O      43 CYSS N       3.40  9.00E+00
 18 GLU  H      41 ARG  O       2.40  9.00E+00
 18 GLU  H      41 ARG  C       3.40  9.00E+00
 18 GLU  N      41 ARG  O       3.40  9.00E+00
 18 GLU  O      41 ARG  H       2.40  9.00E+00
 18 GLU  C      41 ARG  H       3.40  9.00E+00
 18 GLU  O      41 ARG  N       3.40  9.00E+00
 27 HIS  O      44 CYSS H       2.40  9.00E+00
 27 HIS  C      44 CYSS H       3.40  9.00E+00
 27 HIS  O      44 CYSS N       3.40  9.00E+00
 27 HIS  H      44 CYSS O       2.40  9.00E+00
 27 HIS  H      44 CYSS C       3.40  9.00E+00
 27 HIS  N      44 CYSS O       3.40  9.00E+00
 29 CYSS H      42 CYSS O       2.40  9.00E+00
 29 CYSS H      42 CYSS C       3.40  9.00E+00
 29 CYSS N      42 CYSS O       3.40  9.00E+00
 35 CYSS H      40 ASP  O       2.40  9.00E+00
 35 CYSS H      40 ASP  C       3.40  9.00E+00
 35 CYSS N      40 ASP  O       3.40  9.00E+00
 12 SER  O      15 ASN  H       2.40  9.00E+00
 12 SER  C      15 ASN  H       3.40  9.00E+00
 12 SER  O      15 ASN  N       3.40  9.00E+00
 23 GLU  O      26 PHE  H       2.40  9.00E+00
 23 GLU  C      26 PHE  H       3.40  9.00E+00
 23 GLU  O      26 PHE  N       3.40  9.00E+00
  9 GLY  O      34 TRP  H       2.40  9.00E+00
  9 GLY  C      34 TRP  H       3.40  9.00E+00
  9 GLY  O      34 TRP  N       3.40  9.00E+00
 33 HIS  O      42 CYSS H       2.40  9.00E+00
 33 HIS  C      42 CYSS H       3.40  9.00E+00
 33 HIS  O      42 CYSS N       3.40  9.00E+00
  2 TYR  O       5 GLN  H       2.40  9.00E+00
  2 TYR  C       5 GLN  H       3.40  9.00E+00
  2 TYR  O       5 GLN  N       3.40  9.00E+00
  9 GLY  H      32 ASP  O       2.40  9.00E+00
  9 GLY  H      32 ASP  C       3.40  9.00E+00
  9 GLY  N      32 ASP  O       3.40  9.00E+00
  5 GLN  O       8 CYSS H       2.40  9.00E+00
  5 GLN  C       8 CYSS H       3.40  9.00E+00
  5 GLN  O       8 CYSS N       3.40  9.00E+00
 14 PRO  O      45 ALA  H       2.40  9.00E+00
 14 PRO  C      45 ALA  H       3.40  9.00E+00
 14 PRO  O      45 ALA  N       3.40  9.00E+00
 30 GLY  O      33 HIS  H       2.40  9.00E+00
 30 GLY  C      33 HIS  H       3.40  9.00E+00
 30 GLY  O      33 HIS  N       3.40  9.00E+00
 37 ALA  O      40 ASP  H       2.40  9.00E+00
 37 ALA  C      40 ASP  H       3.40  9.00E+00
 37 ALA  O      40 ASP  N       3.40  9.00E+00
  2 TYR  H       5 GLN  OE1     2.00
  2 TYR  N       5 GLN  OE1     3.00
# Restraints file 2: ue.aco
   8 CYSS  CHI1   -210.0  -150.0
  15 ASN   CHI1    -90.0   -30.0
  17 CYSS  CHI1    -90.0   -30.0
  22 CYSS  CHI1    -90.0   -30.0
  26 PHE   CHI1    -90.0   -30.0
  27 HIS   CHI1     30.0    90.0
  28 ASP   CHI1   -210.0  -150.0
  29 CYSS  CHI1     30.0    90.0
  32 ASP   CHI1     30.0    90.0
  33 HIS   CHI1    -90.0   -30.0
  34 TRP   CHI1     30.0    90.0
  35 CYSS  CHI1    -90.0   -30.0
  36 ASP   CHI1    -90.0   -30.0
  40 ASP   CHI1    -90.0   -30.0
  42 CYSS  CHI1    -90.0   -30.0
  43 CYSS  CHI1    -90.0   -30.0
  44 CYSS  CHI1    -90.0   -30.0
   1 CYSS  PSI     -85.0   195.0
   2 TYR   PHI    -145.0   -85.0
   2 TYR   PHI    -105.0   235.0
   2 TYR   PSI      65.0   165.0
   2 TYR   PSI    -205.0    85.0
   4 GLY   PHI    -315.0   -45.0
   5 GLN   PHI    -175.0   -65.0
   5 GLN   PHI     -75.0   195.0
   5 GLN   PSI      65.0   165.0
   5 GLN   PSI    -205.0    85.0
   7 GLY   PHI    -315.0   -45.0
   8 CYSS  PHI    -155.0   -85.0
   8 CYSS  PHI     -95.0   225.0
   8 CYSS  PSI     -85.0   195.0
   9 GLY   PHI    -315.0   -45.0
  10 HIS   PHI    -185.0   -55.0
  10 HIS   PHI     -65.0   185.0
  10 HIS   PSI    -325.0   -15.0
  10 HIS   PSI     -85.0   195.0
  11 CYSS  PHI    -175.0   -65.0
  11 CYSS  PHI     -75.0   195.0
  11 CYSS  PSI    -335.0    -5.0
  11 CYSS  PSI     -85.0   195.0
  12 SER   PHI    -155.0   -85.0
  12 SER   PHI    -105.0   235.0
  12 SER   PSI     -85.0   195.0
  13 ARG   PHI    -185.0   -45.0
  13 ARG   PHI     -65.0   185.0
  15 ASN   PHI    -155.0   -85.0
  15 ASN   PHI    -105.0   235.0
  15 ASN   PSI     -85.0   195.0
  16 TYR   PHI      45.0   285.0
  16 TYR   PHI    -155.0    65.0
  16 TYR   PHI     -95.0   215.0
  16 TYR   PSI     -85.0   195.0
  17 CYSS  PHI      45.0   285.0
  17 CYSS  PHI    -165.0    65.0
  17 CYSS  PHI     -95.0   215.0
  17 CYSS  PSI     -85.0   195.0
  18 GLU   PHI    -145.0   -85.0
  18 GLU   PHI    -115.0   235.0
  18 GLU   PSI     -85.0   195.0
  19 GLY   PHI    -315.0   -45.0
  20 ALA   PHI    -145.0   -95.0
  20 ALA   PSI     -85.0   195.0
  21 ARG   PHI      45.0   295.0
  21 ARG   PHI    -165.0    65.0
  21 ARG   PHI     -85.0   205.0
  21 ARG   PSI    -345.0     5.0
  21 ARG   PSI     -85.0   195.0
  22 CYSS  PHI    -185.0   -55.0
  22 CYSS  PHI     -65.0   195.0
  22 CYSS  PSI    -335.0   -15.0
  22 CYSS  PSI     -85.0   195.0
  23 GLU   PHI    -185.0   -55.0
  23 GLU   PHI     -75.0   195.0
  23 GLU   PSI    -335.0    -5.0
  23 GLU   PSI     -85.0   195.0
  24 SER   PHI    -185.0   -45.0
  24 SER   PHI     -65.0   185.0
  24 SER   PSI    -335.0   -15.0
  24 SER   PSI     -85.0   195.0
  25 GLY   PHI    -315.0   -45.0
  26 PHE   PHI    -135.0   -95.0
  26 PHE   PSI     -85.0   195.0
  27 HIS   PHI    -145.0   -95.0
  27 HIS   PSI     -85.0   195.0
  28 ASP   PHI    -185.0   -45.0
  28 ASP   PHI     -65.0   185.0
  28 ASP   PSI    -325.0   -15.0
  28 ASP   PSI     -85.0   195.0
  29 CYSS  PHI    -135.0  -105.0
  29 CYSS  PSI     -85.0   195.0
  30 GLY   PHI    -315.0   -45.0
  31 SER   PHI    -185.0   -45.0
  31 SER   PHI     -65.0   185.0
  31 SER   PSI    -325.0   -15.0
  31 SER   PSI     -85.0   195.0
  32 ASP   PHI    -155.0   -85.0
  32 ASP   PHI    -105.0   225.0
  32 ASP   PSI     -85.0   195.0
  33 HIS   PHI    -145.0   -95.0
  33 HIS   PSI     -85.0   195.0
  34 TRP   PHI    -135.0  -105.0
  34 TRP   PSI     -85.0   195.0
  35 CYSS  PHI    -145.0   -95.0
  35 CYSS  PSI     -85.0   195.0
  36 ASP   PHI    -185.0   -45.0
  36 ASP   PHI     -65.0   185.0
  36 ASP   PSI    -325.0   -15.0
  36 ASP   PSI     -85.0   195.0
  37 ALA   PHI    -145.0   -95.0
  37 ALA   PSI     -85.0   195.0
  38 SER   PHI    -185.0   -45.0
  38 SER   PHI     -65.0   185.0
  38 SER   PSI    -335.0   -15.0
  38 SER   PSI     -85.0   195.0
  39 GLY   PHI    -315.0   -45.0
  40 ASP   PHI      45.0   285.0
  40 ASP   PHI    -155.0    65.0
  40 ASP   PHI     -95.0   215.0
  40 ASP   PSI     -85.0   195.0
  41 ARG   PHI    -145.0   -95.0
  41 ARG   PSI     -85.0   195.0
  42 CYSS  PHI    -185.0   -55.0
  42 CYSS  PHI     -75.0   195.0
  42 CYSS  PSI    -335.0    -5.0
  42 CYSS  PSI     -85.0   195.0
  43 CYSS  PHI    -145.0   -95.0
  43 CYSS  PSI     -85.0   195.0
  44 CYSS  PHI    -135.0   -95.0
  44 CYSS  PSI     -85.0   195.0
  45 ALA   PHI      55.0   275.0
  45 ALA   PHI    -155.0    65.0
  45 ALA   PHI     -95.0   215.0
# Restraints file 3: ue.lol
 29 CYSS SG     44 CYSS SG      2.00  9.00E+00
 29 CYSS SG     44 CYSS CB      3.00  9.00E+00
 29 CYSS CB     44 CYSS SG      3.00  9.00E+00
 22 CYSS SG     43 CYSS SG      2.00  9.00E+00
 22 CYSS SG     43 CYSS CB      3.00  9.00E+00
 22 CYSS CB     43 CYSS SG      3.00  9.00E+00
  1 CYSS SG      8 CYSS SG      2.00  9.00E+00
  1 CYSS SG      8 CYSS CB      3.00  9.00E+00
  1 CYSS CB      8 CYSS SG      3.00  9.00E+00
 11 CYSS SG     42 CYSS SG      2.00  9.00E+00
 11 CYSS SG     42 CYSS CB      3.00  9.00E+00
 11 CYSS CB     42 CYSS SG      3.00  9.00E+00
 17 CYSS SG     35 CYSS SG      2.00  9.00E+00
 17 CYSS SG     35 CYSS CB      3.00  9.00E+00
 17 CYSS CB     35 CYSS SG      3.00  9.00E+00
 16 TYR  H      43 CYSS O       1.70  9.00E+00
 16 TYR  H      43 CYSS C       2.60  9.00E+00
 16 TYR  N      43 CYSS O       2.60  9.00E+00
 16 TYR  O      43 CYSS H       1.70  9.00E+00
 16 TYR  C      43 CYSS H       2.60  9.00E+00
 16 TYR  O      43 CYSS N       2.60  9.00E+00
 18 GLU  H      41 ARG  O       1.70  9.00E+00
 18 GLU  H      41 ARG  C       2.60  9.00E+00
 18 GLU  N      41 ARG  O       2.60  9.00E+00
 18 GLU  O      41 ARG  H       1.70  9.00E+00
 18 GLU  C      41 ARG  H       2.60  9.00E+00
 18 GLU  O      41 ARG  N       2.60  9.00E+00
 27 HIS  O      44 CYSS H       1.70  9.00E+00
 27 HIS  C      44 CYSS H       2.60  9.00E+00
 27 HIS  O      44 CYSS N       2.60  9.00E+00
 27 HIS  H      44 CYSS O       1.70  9.00E+00
 27 HIS  H      44 CYSS C       2.60  9.00E+00
 27 HIS  N      44 CYSS O       2.60  9.00E+00
 29 CYSS H      42 CYSS O       1.70  9.00E+00
 29 CYSS H      42 CYSS C       2.60  9.00E+00
 29 CYSS N      42 CYSS O       2.60  9.00E+00
 35 CYSS H      40 ASP  O       1.70  9.00E+00
 35 CYSS H      40 ASP  C       2.60  9.00E+00
 35 CYSS N      40 ASP  O       2.60  9.00E+00
 12 SER  O      15 ASN  H       1.70  9.00E+00
 12 SER  C      15 ASN  H       2.60  9.00E+00
 12 SER  O      15 ASN  N       2.60  9.00E+00
 23 GLU  O      26 PHE  H       1.70  9.00E+00
 23 GLU  C      26 PHE  H       2.60  9.00E+00
 23 GLU  O      26 PHE  N       2.60  9.00E+00
  9 GLY  O      34 TRP  H       1.70  9.00E+00
  9 GLY  C      34 TRP  H       2.60  9.00E+00
  9 GLY  O      34 TRP  N       2.60  9.00E+00
 33 HIS  O      42 CYSS H       1.70  9.00E+00
 33 HIS  C      42 CYSS H       2.60  9.00E+00
 33 HIS  O      42 CYSS N       2.60  9.00E+00
  2 TYR  O       5 GLN  H       1.70  9.00E+00
  2 TYR  C       5 GLN  H       2.60  9.00E+00
  2 TYR  O       5 GLN  N       2.60  9.00E+00
  9 GLY  H      32 ASP  O       1.70  9.00E+00
  9 GLY  H      32 ASP  C       2.60  9.00E+00
  9 GLY  N      32 ASP  O       2.60  9.00E+00
  5 GLN  O       8 CYSS H       1.70  9.00E+00
  5 GLN  C       8 CYSS H       2.60  9.00E+00
  5 GLN  O       8 CYSS N       2.60  9.00E+00
 14 PRO  O      45 ALA  H       1.70  9.00E+00
 14 PRO  C      45 ALA  H       2.60  9.00E+00
 14 PRO  O      45 ALA  N       2.60  9.00E+00
 30 GLY  O      33 HIS  H       1.70  9.00E+00
 30 GLY  C      33 HIS  H       2.60  9.00E+00
 30 GLY  O      33 HIS  N       2.60  9.00E+00
 37 ALA  O      40 ASP  H       1.70  9.00E+00
 37 ALA  C      40 ASP  H       2.60  9.00E+00
 37 ALA  O      40 ASP  N       2.60  9.00E+00
  2 TYR  H       5 GLN  OE1     1.80
  2 TYR  N       5 GLN  OE1     2.70
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    CYS   1           H        CYS   1   1.807   0.001   0.856
    2    HA   CYS   1           HA       CYS   1   1.413   0.211  -2.051
    3    HB2  CYS   1           HB2      CYS   1   3.946   0.839  -1.913
    4    HB3  CYS   1           HB3      CYS   1   2.728   2.032  -1.470
    5    H    TYR   2           H        TYR   2   2.920  -0.963  -3.433
    6    HA   TYR   2           HA       TYR   2   3.287  -3.669  -2.471
    7    HB2  TYR   2           HB2      TYR   2   2.779  -2.465  -4.981
    8    HB3  TYR   2           HB3      TYR   2   4.336  -3.275  -5.114
    9    HD1  TYR   2           HD1      TYR   2   1.388  -4.288  -3.086
   10    HD2  TYR   2           HD2      TYR   2   3.854  -5.137  -6.448
   11    HE1  TYR   2           HE1      TYR   2   0.236  -6.441  -3.379
   12    HE2  TYR   2           HE2      TYR   2   2.708  -7.292  -6.751
   13    HH   TYR   2           HH       TYR   2   0.074  -8.294  -4.585
   14    HA   PRO   3           HA       PRO   3   7.593  -3.513  -1.638
   15    HB2  PRO   3           HB2      PRO   3   8.381  -5.987  -2.432
   16    HB3  PRO   3           HB3      PRO   3   7.424  -5.706  -0.972
   17    HG2  PRO   3           HG2      PRO   3   6.524  -6.596  -3.685
   18    HG3  PRO   3           HG3      PRO   3   6.030  -7.195  -2.090
   19    HD2  PRO   3           HD2      PRO   3   4.523  -5.464  -3.527
   20    HD3  PRO   3           HD3      PRO   3   4.560  -5.452  -1.752
   21    H    GLY   4           H        GLY   4   7.980  -1.875  -3.313
   22    HA2  GLY   4           HA2      GLY   4  10.033  -1.739  -4.770
   23    HA3  GLY   4           HA3      GLY   4   9.271  -3.009  -5.716
   24    H    GLN   5           H        GLN   5   7.071  -0.760  -4.442
   25    HA   GLN   5           HA       GLN   5   6.390   0.179  -7.060
   26    HB2  GLN   5           HB2      GLN   5   5.357   0.958  -4.329
   27    HB3  GLN   5           HB3      GLN   5   4.675   1.525  -5.848
   28    HG2  GLN   5           HG2      GLN   5   4.582  -1.110  -6.289
   29    HG3  GLN   5           HG3      GLN   5   4.455  -1.104  -4.531
   30   HE21  GLN   5          HE21      GLN   5   2.786  -0.844  -7.407
   31   HE22  GLN   5          HE22      GLN   5   1.294  -0.225  -6.794
   32    HA   PRO   6           HA       PRO   6   8.681   3.913  -7.287
   33    HB2  PRO   6           HB2      PRO   6   6.936   5.547  -8.573
   34    HB3  PRO   6           HB3      PRO   6   7.772   4.213  -9.376
   35    HG2  PRO   6           HG2      PRO   6   4.984   4.322  -8.290
   36    HG3  PRO   6           HG3      PRO   6   5.564   3.632  -9.817
   37    HD2  PRO   6           HD2      PRO   6   5.018   2.110  -7.646
   38    HD3  PRO   6           HD3      PRO   6   6.291   1.691  -8.810
   39    H    GLY   7           H        GLY   7   8.800   4.424  -5.047
   40    HA2  GLY   7           HA2      GLY   7   8.469   6.705  -3.977
   41    HA3  GLY   7           HA3      GLY   7   6.756   6.335  -4.106
   42    H    CYS   8           H        CYS   8   7.259   3.473  -3.478
   43    HA   CYS   8           HA       CYS   8   7.367   3.799  -0.574
   44    HB2  CYS   8           HB2      CYS   8   5.469   2.587  -1.823
   45    HB3  CYS   8           HB3      CYS   8   6.622   1.274  -2.035
   46    H    GLY   9           H        GLY   9   8.360   1.906   0.648
   47    HA2  GLY   9           HA2      GLY   9  10.357   0.289  -0.477
   48    HA3  GLY   9           HA3      GLY   9  11.110   1.781   0.067
   49    H    HIS  10           H        HIS  10  12.156  -0.187   1.305
   50    HA   HIS  10           HA       HIS  10  10.738  -1.236   3.530
   51    HB2  HIS  10           HB2      HIS  10  13.020  -1.952   2.327
   52    HB3  HIS  10           HB3      HIS  10  13.701  -1.009   3.650
   53    HD1  HIS  10           HD1      HIS  10  14.552  -3.698   3.987
   54    HD2  HIS  10           HD2      HIS  10  10.706  -2.621   5.132
   55    HE1  HIS  10           HE1      HIS  10  13.815  -5.466   5.616
   56    H    CYS  11           H        CYS  11  10.154  -0.216   5.318
   57    HA   CYS  11           HA       CYS  11  10.909   2.435   5.913
   58    HB2  CYS  11           HB2      CYS  11   9.619   2.181   7.935
   59    HB3  CYS  11           HB3      CYS  11   8.773   1.360   6.628
   60    H    SER  12           H        SER  12  11.813   3.075   8.099
   61    HA   SER  12           HA       SER  12  13.744   1.263   9.256
   62    HB2  SER  12           HB2      SER  12  15.680   2.750   8.831
   63    HB3  SER  12           HB3      SER  12  15.010   2.091   7.339
   64    HG   SER  12           HG       SER  12  15.130   4.171   6.850
   65    H    ARG  13           H        ARG  13  14.596   2.002  11.242
   66    HA   ARG  13           HA       ARG  13  12.951   3.285  12.961
   67    HB2  ARG  13           HB2      ARG  13  15.931   3.017  12.900
   68    HB3  ARG  13           HB3      ARG  13  15.182   3.990  14.158
   69    HG2  ARG  13           HG2      ARG  13  13.751   1.571  14.058
   70    HG3  ARG  13           HG3      ARG  13  15.465   1.156  13.999
   71    HD2  ARG  13           HD2      ARG  13  15.859   1.917  16.095
   72    HD3  ARG  13           HD3      ARG  13  14.688   3.228  15.953
   73    HE   ARG  13           HE       ARG  13  13.065   1.839  16.806
   74   HH11  ARG  13          HH11      ARG  13  15.902  -0.015  16.011
   75   HH12  ARG  13          HH12      ARG  13  15.344  -1.452  16.800
   76   HH21  ARG  13          HH21      ARG  13  12.318  -0.047  17.848
   77   HH22  ARG  13          HH22      ARG  13  13.304  -1.470  17.844
   78    HA   PRO  14           HA       PRO  14  12.962   4.620  14.797
   79    HB2  PRO  14           HB2      PRO  14  10.890   6.302  15.294
   80    HB3  PRO  14           HB3      PRO  14  12.560   6.683  15.727
   81    HG2  PRO  14           HG2      PRO  14  10.965   7.584  13.360
   82    HG3  PRO  14           HG3      PRO  14  12.058   8.521  14.395
   83    HD2  PRO  14           HD2      PRO  14  12.800   7.581  11.967
   84    HD3  PRO  14           HD3      PRO  14  13.943   7.753  13.315
   85    H    ASN  15           H        ASN  15  11.943   4.411  11.788
   86    HA   ASN  15           HA       ASN  15   9.185   3.647  12.203
   87    HB2  ASN  15           HB2      ASN  15  10.755   3.070   9.706
   88    HB3  ASN  15           HB3      ASN  15   9.036   3.411   9.877
   89   HD21  ASN  15          HD21      ASN  15  10.986   4.652   8.130
   90   HD22  ASN  15          HD22      ASN  15  10.983   6.336   8.515
   91    H    TYR  16           H        TYR  16   8.347   1.575  12.101
   92    HA   TYR  16           HA       TYR  16  10.212  -0.666  11.908
   93    HB2  TYR  16           HB2      TYR  16   9.499  -1.669  13.967
   94    HB3  TYR  16           HB3      TYR  16   9.994  -0.018  14.325
   95    HD1  TYR  16           HD1      TYR  16   8.177   1.749  14.569
   96    HD2  TYR  16           HD2      TYR  16   7.350  -2.424  14.529
   97    HE1  TYR  16           HE1      TYR  16   5.999   2.177  15.629
   98    HE2  TYR  16           HE2      TYR  16   5.169  -2.008  15.588
   99    HH   TYR  16           HH       TYR  16   4.168  -0.165  17.075
  100    H    CYS  17           H        CYS  17   8.735  -2.781  12.336
  101    HA   CYS  17           HA       CYS  17   6.729  -2.651  10.241
  102    HB2  CYS  17           HB2      CYS  17   8.298  -4.780  11.571
  103    HB3  CYS  17           HB3      CYS  17   6.687  -5.237  11.028
  104    H    GLU  18           H        GLU  18   4.569  -2.893  10.497
  105    HA   GLU  18           HA       GLU  18   3.496  -3.668  13.094
  106    HB2  GLU  18           HB2      GLU  18   3.827  -1.120  12.961
  107    HB3  GLU  18           HB3      GLU  18   2.508  -1.139  11.799
  108    HG2  GLU  18           HG2      GLU  18   2.097  -0.731  14.369
  109    HG3  GLU  18           HG3      GLU  18   0.940  -1.606  13.368
  110    H    GLY  19           H        GLY  19   2.431  -5.427  12.348
  111    HA2  GLY  19           HA2      GLY  19   0.893  -5.297   9.890
  112    HA3  GLY  19           HA3      GLY  19   1.103  -6.707  10.919
  113    H    ALA  20           H        ALA  20   0.283  -4.238  12.923
  114    HA   ALA  20           HA       ALA  20  -2.605  -4.739  12.629
  115    HB1  ALA  20           HB1      ALA  20  -0.892  -5.430  14.829
  116    HB2  ALA  20           HB2      ALA  20  -2.131  -4.287  15.350
  117    HB3  ALA  20           HB3      ALA  20  -2.598  -5.802  14.578
  118    H    ARG  21           H        ARG  21  -0.838  -2.799  15.002
  119    HA   ARG  21           HA       ARG  21  -1.541  -0.317  13.701
  120    HB2  ARG  21           HB2      ARG  21  -3.307  -1.446  15.617
  121    HB3  ARG  21           HB3      ARG  21  -2.528  -0.062  16.371
  122    HG2  ARG  21           HG2      ARG  21  -3.739   1.375  15.189
  123    HG3  ARG  21           HG3      ARG  21  -3.391   0.535  13.676
  124    HD2  ARG  21           HD2      ARG  21  -5.790   0.569  14.155
  125    HD3  ARG  21           HD3      ARG  21  -5.154  -1.075  14.147
  126    HE   ARG  21           HE       ARG  21  -5.811  -1.265  16.318
  127   HH11  ARG  21          HH11      ARG  21  -5.456   2.116  15.568
  128   HH12  ARG  21          HH12      ARG  21  -6.040   2.653  17.108
  129   HH21  ARG  21          HH21      ARG  21  -6.582  -0.571  18.349
  130   HH22  ARG  21          HH22      ARG  21  -6.680   1.124  18.690
  131    H    CYS  22           H        CYS  22  -0.307   1.397  14.387
  132    HA   CYS  22           HA       CYS  22   2.117   0.809  15.713
  133    HB2  CYS  22           HB2      CYS  22   1.047   3.601  15.396
  134    HB3  CYS  22           HB3      CYS  22   2.716   3.044  15.318
  135    H    GLU  23           H        GLU  23   2.884   1.418  17.738
  136    HA   GLU  23           HA       GLU  23   1.039   1.280  19.863
  137    HB2  GLU  23           HB2      GLU  23   3.049   1.929  21.273
  138    HB3  GLU  23           HB3      GLU  23   3.224   0.483  20.288
  139    HG2  GLU  23           HG2      GLU  23   4.137   2.487  18.636
  140    HG3  GLU  23           HG3      GLU  23   4.714   2.972  20.229
  141    H    SER  24           H        SER  24   1.108   2.955  21.699
  142    HA   SER  24           HA       SER  24   0.020   5.382  20.681
  143    HB2  SER  24           HB2      SER  24   0.093   4.009  23.191
  144    HB3  SER  24           HB3      SER  24   0.609   5.675  23.447
  145    HG   SER  24           HG       SER  24  -1.451   6.082  23.403
  146    H    GLY  25           H        GLY  25   2.718   4.995  19.835
  147    HA2  GLY  25           HA2      GLY  25   3.827   7.523  20.791
  148    HA3  GLY  25           HA3      GLY  25   4.826   6.091  20.994
  149    H    PHE  26           H        PHE  26   3.198   5.376  18.318
  150    HA   PHE  26           HA       PHE  26   5.101   6.762  16.546
  151    HB2  PHE  26           HB2      PHE  26   4.148   3.897  16.390
  152    HB3  PHE  26           HB3      PHE  26   5.096   4.698  15.142
  153    HD1  PHE  26           HD1      PHE  26   5.273   4.335  18.856
  154    HD2  PHE  26           HD2      PHE  26   7.305   4.117  15.122
  155    HE1  PHE  26           HE1      PHE  26   7.342   3.693  20.023
  156    HE2  PHE  26           HE2      PHE  26   9.377   3.474  16.283
  157    HZ   PHE  26           HZ       PHE  26   9.397   3.261  18.737
  158    H    HIS  27           H        HIS  27   4.300   6.320  14.132
  159    HA   HIS  27           HA       HIS  27   1.398   6.745  13.999
  160    HB2  HIS  27           HB2      HIS  27   1.983   8.488  12.157
  161    HB3  HIS  27           HB3      HIS  27   2.081   8.966  13.850
  162    HD1  HIS  27           HD1      HIS  27   4.316   9.749  14.700
  163    HD2  HIS  27           HD2      HIS  27   4.545   8.030  10.924
  164    HE1  HIS  27           HE1      HIS  27   6.654  10.205  13.894
  165    H    ASP  28           H        ASP  28   0.412   5.722  12.354
  166    HA   ASP  28           HA       ASP  28   1.751   3.742  10.889
  167    HB2  ASP  28           HB2      ASP  28  -0.546   3.382  11.221
  168    HB3  ASP  28           HB3      ASP  28  -0.973   4.993  10.650
  169    H    CYS  29           H        CYS  29   3.144   4.005   9.286
  170    HA   CYS  29           HA       CYS  29   2.667   6.176   7.351
  171    HB2  CYS  29           HB2      CYS  29   5.192   6.194   7.062
  172    HB3  CYS  29           HB3      CYS  29   4.583   6.848   8.579
  173    H    GLY  30           H        GLY  30   1.927   3.272   7.383
  174    HA2  GLY  30           HA2      GLY  30   3.536   1.768   5.666
  175    HA3  GLY  30           HA3      GLY  30   1.803   1.554   5.869
  176    H    SER  31           H        SER  31   1.890   4.609   4.968
  177    HA   SER  31           HA       SER  31   0.794   4.330   2.483
  178    HB2  SER  31           HB2      SER  31   2.185   6.718   2.247
  179    HB3  SER  31           HB3      SER  31   0.580   6.521   2.950
  180    HG   SER  31           HG       SER  31   1.573   7.355   4.628
  181    H    ASP  32           H        ASP  32   4.131   5.517   2.874
  182    HA   ASP  32           HA       ASP  32   4.796   4.214   0.322
  183    HB2  ASP  32           HB2      ASP  32   6.792   5.822   0.403
  184    HB3  ASP  32           HB3      ASP  32   5.205   6.523   0.098
  185    H    HIS  33           H        HIS  33   4.735   2.891   2.940
  186    HA   HIS  33           HA       HIS  33   7.420   1.774   2.845
  187    HB2  HIS  33           HB2      HIS  33   6.226   2.691   5.466
  188    HB3  HIS  33           HB3      HIS  33   7.810   1.962   5.221
  189    HD1  HIS  33           HD1      HIS  33   6.388   5.116   5.837
  190    HD2  HIS  33           HD2      HIS  33   9.350   3.761   3.258
  191    HE1  HIS  33           HE1      HIS  33   7.734   7.152   5.230
  192    H    TRP  34           H        TRP  34   7.265  -0.363   2.811
  193    HA   TRP  34           HA       TRP  34   4.918  -1.618   4.078
  194    HB2  TRP  34           HB2      TRP  34   5.531  -3.471   2.268
  195    HB3  TRP  34           HB3      TRP  34   4.484  -2.108   1.882
  196    HD1  TRP  34           HD1      TRP  34   5.099  -0.953  -0.306
  197    HE1  TRP  34           HE1      TRP  34   7.237  -0.658  -1.709
  198    HE3  TRP  34           HE3      TRP  34   8.413  -3.369   2.746
  199    HZ2  TRP  34           HZ2      TRP  34   9.966  -1.358  -1.544
  200    HZ3  TRP  34           HZ3      TRP  34  10.769  -3.512   2.050
  201    HH2  TRP  34           HH2      TRP  34  11.527  -2.528  -0.051
  202    H    CYS  35           H        CYS  35   5.316  -4.004   4.551
  203    HA   CYS  35           HA       CYS  35   7.949  -4.245   5.832
  204    HB2  CYS  35           HB2      CYS  35   5.228  -5.307   6.482
  205    HB3  CYS  35           HB3      CYS  35   6.646  -6.190   7.037
  206    H    ASP  36           H        ASP  36   8.692  -6.594   6.066
  207    HA   ASP  36           HA       ASP  36   9.430  -7.636   3.649
  208    HB2  ASP  36           HB2      ASP  36   9.197  -8.789   6.388
  209    HB3  ASP  36           HB3      ASP  36   9.496  -9.895   5.051
  210    H    ALA  37           H        ALA  37   6.522  -8.376   5.503
  211    HA   ALA  37           HA       ALA  37   5.629 -10.258   3.458
  212    HB1  ALA  37           HB1      ALA  37   4.352 -11.204   5.039
  213    HB2  ALA  37           HB2      ALA  37   5.359 -10.293   6.164
  214    HB3  ALA  37           HB3      ALA  37   3.796  -9.651   5.662
  215    H    SER  38           H        SER  38   4.379  -9.643   1.829
  216    HA   SER  38           HA       SER  38   3.504  -7.021   1.428
  217    HB2  SER  38           HB2      SER  38   2.222  -7.918  -0.465
  218    HB3  SER  38           HB3      SER  38   3.834  -8.630  -0.406
  219    HG   SER  38           HG       SER  38   1.518  -9.886  -0.417
  220    H    GLY  39           H        GLY  39   2.470  -6.557   3.490
  221    HA2  GLY  39           HA2      GLY  39  -0.277  -6.377   3.369
  222    HA3  GLY  39           HA3      GLY  39   0.047  -7.866   4.244
  223    H    ASP  40           H        ASP  40   2.589  -6.565   5.284
  224    HA   ASP  40           HA       ASP  40   1.323  -5.341   7.601
  225    HB2  ASP  40           HB2      ASP  40   3.957  -6.584   7.021
  226    HB3  ASP  40           HB3      ASP  40   3.929  -5.320   8.247
  227    H    ARG  41           H        ARG  41   1.402  -3.233   8.109
  228    HA   ARG  41           HA       ARG  41   2.665  -1.431   6.190
  229    HB2  ARG  41           HB2      ARG  41   1.348   0.181   7.968
  230    HB3  ARG  41           HB3      ARG  41   0.666  -0.442   6.471
  231    HG2  ARG  41           HG2      ARG  41  -0.396  -2.245   7.628
  232    HG3  ARG  41           HG3      ARG  41   0.427  -1.826   9.132
  233    HD2  ARG  41           HD2      ARG  41  -1.629  -0.862   9.477
  234    HD3  ARG  41           HD3      ARG  41  -0.742   0.488   8.771
  235    HE   ARG  41           HE       ARG  41  -2.928  -0.980   7.577
  236   HH11  ARG  41          HH11      ARG  41  -0.253   1.188   7.063
  237   HH12  ARG  41          HH12      ARG  41  -0.882   1.821   5.578
  238   HH21  ARG  41          HH21      ARG  41  -3.766  -0.156   5.623
  239   HH22  ARG  41          HH22      ARG  41  -2.881   1.056   4.760
  240    H    CYS  42           H        CYS  42   4.395  -0.204   6.636
  241    HA   CYS  42           HA       CYS  42   5.806  -0.651   9.108
  242    HB2  CYS  42           HB2      CYS  42   6.399   0.632   6.496
  243    HB3  CYS  42           HB3      CYS  42   7.311   1.206   7.888
  244    H    CYS  43           H        CYS  43   5.834   0.615  10.852
  245    HA   CYS  43           HA       CYS  43   4.331   3.124  10.760
  246    HB2  CYS  43           HB2      CYS  43   5.232   1.355  13.033
  247    HB3  CYS  43           HB3      CYS  43   4.537   2.952  13.293
  248    H    CYS  44           H        CYS  44   5.160   4.994  11.949
  249    HA   CYS  44           HA       CYS  44   8.088   5.093  12.134
  250    HB2  CYS  44           HB2      CYS  44   6.392   7.193  10.768
  251    HB3  CYS  44           HB3      CYS  44   8.138   7.249  10.987
  252    H    ALA  45           H        ALA  45   8.814   6.090  13.910
  253    HA   ALA  45           HA       ALA  45   6.917   7.089  15.830
  254    HB1  ALA  45           HB1      ALA  45   9.820   7.417  16.304
  255    HB2  ALA  45           HB2      ALA  45   8.553   6.826  17.379
  256    HB3  ALA  45           HB3      ALA  45   9.214   5.769  16.132
  Start of MODEL    2
    1    H    CYS   1           H        CYS   1   0.613   1.323  -0.741
    2    HA   CYS   1           HA       CYS   1   1.483   1.143  -3.377
    3    HB2  CYS   1           HB2      CYS   1   3.698   1.594  -2.539
    4    HB3  CYS   1           HB3      CYS   1   2.544   2.519  -1.583
    5    H    TYR   2           H        TYR   2   3.585  -0.147  -3.935
    6    HA   TYR   2           HA       TYR   2   3.188  -2.954  -3.131
    7    HB2  TYR   2           HB2      TYR   2   2.876  -1.815  -5.709
    8    HB3  TYR   2           HB3      TYR   2   4.337  -2.796  -5.750
    9    HD1  TYR   2           HD1      TYR   2   1.233  -3.378  -3.785
   10    HD2  TYR   2           HD2      TYR   2   3.694  -4.660  -7.011
   11    HE1  TYR   2           HE1      TYR   2  -0.141  -5.404  -4.020
   12    HE2  TYR   2           HE2      TYR   2   2.326  -6.689  -7.256
   13    HH   TYR   2           HH       TYR   2  -0.392  -7.180  -6.496
   14    HA   PRO   3           HA       PRO   3   7.471  -3.198  -2.210
   15    HB2  PRO   3           HB2      PRO   3   8.069  -5.728  -2.991
   16    HB3  PRO   3           HB3      PRO   3   7.098  -5.369  -1.558
   17    HG2  PRO   3           HG2      PRO   3   6.203  -6.176  -4.298
   18    HG3  PRO   3           HG3      PRO   3   5.616  -6.733  -2.720
   19    HD2  PRO   3           HD2      PRO   3   4.302  -4.879  -4.192
   20    HD3  PRO   3           HD3      PRO   3   4.289  -4.873  -2.417
   21    H    GLY   4           H        GLY   4   7.931  -1.581  -3.944
   22    HA2  GLY   4           HA2      GLY   4  10.104  -1.741  -5.331
   23    HA3  GLY   4           HA3      GLY   4   9.123  -2.785  -6.350
   24    H    GLN   5           H        GLN   5   7.103  -0.503  -5.086
   25    HA   GLN   5           HA       GLN   5   6.869   0.860  -7.592
   26    HB2  GLN   5           HB2      GLN   5   5.521   1.393  -4.939
   27    HB3  GLN   5           HB3      GLN   5   5.072   2.130  -6.471
   28    HG2  GLN   5           HG2      GLN   5   4.742  -0.278  -7.298
   29    HG3  GLN   5           HG3      GLN   5   4.753  -0.710  -5.589
   30   HE21  GLN   5          HE21      GLN   5   2.709  -0.406  -7.939
   31   HE22  GLN   5          HE22      GLN   5   1.355   0.324  -7.154
   32    HA   PRO   6           HA       PRO   6   9.431   4.361  -6.937
   33    HB2  PRO   6           HB2      PRO   6   8.021   6.303  -8.207
   34    HB3  PRO   6           HB3      PRO   6   8.879   5.020  -9.068
   35    HG2  PRO   6           HG2      PRO   6   5.971   5.231  -8.389
   36    HG3  PRO   6           HG3      PRO   6   6.731   4.704  -9.902
   37    HD2  PRO   6           HD2      PRO   6   5.753   2.958  -8.078
   38    HD3  PRO   6           HD3      PRO   6   7.159   2.587  -9.096
   39    H    GLY   7           H        GLY   7   8.989   4.321  -4.585
   40    HA2  GLY   7           HA2      GLY   7   8.685   6.602  -3.317
   41    HA3  GLY   7           HA3      GLY   7   6.998   6.263  -3.671
   42    H    CYS   8           H        CYS   8   7.404   3.352  -3.366
   43    HA   CYS   8           HA       CYS   8   7.250   3.297  -0.446
   44    HB2  CYS   8           HB2      CYS   8   5.531   2.261  -2.179
   45    HB3  CYS   8           HB3      CYS   8   6.651   0.903  -2.127
   46    H    GLY   9           H        GLY   9   8.271   1.562   0.752
   47    HA2  GLY   9           HA2      GLY   9  10.191  -0.180  -0.333
   48    HA3  GLY   9           HA3      GLY   9  11.005   1.293   0.174
   49    H    HIS  10           H        HIS  10  12.007  -0.605   1.491
   50    HA   HIS  10           HA       HIS  10  10.554  -1.610   3.713
   51    HB2  HIS  10           HB2      HIS  10  12.904  -2.123   4.592
   52    HB3  HIS  10           HB3      HIS  10  12.438  -2.874   3.069
   53    HD1  HIS  10           HD1      HIS  10  13.787  -2.276   1.008
   54    HD2  HIS  10           HD2      HIS  10  14.815  -0.020   4.341
   55    HE1  HIS  10           HE1      HIS  10  15.885  -1.047   0.366
   56    H    CYS  11           H        CYS  11  10.001  -0.625   5.534
   57    HA   CYS  11           HA       CYS  11  10.633   2.070   6.066
   58    HB2  CYS  11           HB2      CYS  11   9.400   1.795   8.113
   59    HB3  CYS  11           HB3      CYS  11   8.578   0.877   6.856
   60    H    SER  12           H        SER  12  11.642   2.865   8.093
   61    HA   SER  12           HA       SER  12  13.652   1.161   9.299
   62    HB2  SER  12           HB2      SER  12  14.866   1.900   7.341
   63    HB3  SER  12           HB3      SER  12  14.406   3.576   7.638
   64    HG   SER  12           HG       SER  12  15.961   1.997   9.411
   65    H    ARG  13           H        ARG  13  14.497   1.991  11.234
   66    HA   ARG  13           HA       ARG  13  12.872   3.332  12.924
   67    HB2  ARG  13           HB2      ARG  13  15.854   3.105  12.812
   68    HB3  ARG  13           HB3      ARG  13  15.116   4.128  14.038
   69    HG2  ARG  13           HG2      ARG  13  14.409   1.232  13.640
   70    HG3  ARG  13           HG3      ARG  13  15.638   1.800  14.772
   71    HD2  ARG  13           HD2      ARG  13  13.941   3.154  15.916
   72    HD3  ARG  13           HD3      ARG  13  12.719   2.558  14.793
   73    HE   ARG  13           HE       ARG  13  13.824   0.309  15.897
   74   HH11  ARG  13          HH11      ARG  13  12.244   3.162  17.117
   75   HH12  ARG  13          HH12      ARG  13  11.583   2.361  18.504
   76   HH21  ARG  13          HH21      ARG  13  12.959  -0.756  17.720
   77   HH22  ARG  13          HH22      ARG  13  11.991   0.133  18.847
   78    HA   PRO  14           HA       PRO  14  12.876   4.749  14.687
   79    HB2  PRO  14           HB2      PRO  14  10.778   6.415  15.130
   80    HB3  PRO  14           HB3      PRO  14  12.447   6.845  15.525
   81    HG2  PRO  14           HG2      PRO  14  10.809   7.607  13.138
   82    HG3  PRO  14           HG3      PRO  14  11.896   8.611  14.116
   83    HD2  PRO  14           HD2      PRO  14  12.628   7.571  11.725
   84    HD3  PRO  14           HD3      PRO  14  13.783   7.826  13.050
   85    H    ASN  15           H        ASN  15  11.811   4.409  11.696
   86    HA   ASN  15           HA       ASN  15   9.084   3.582  12.209
   87    HB2  ASN  15           HB2      ASN  15  10.535   2.947   9.667
   88    HB3  ASN  15           HB3      ASN  15   8.844   3.375   9.910
   89   HD21  ASN  15          HD21      ASN  15  10.815   4.473   8.062
   90   HD22  ASN  15          HD22      ASN  15  10.890   6.166   8.396
   91    H    TYR  16           H        TYR  16   8.309   1.482  12.163
   92    HA   TYR  16           HA       TYR  16  10.235  -0.705  11.945
   93    HB2  TYR  16           HB2      TYR  16   9.602  -1.697  14.047
   94    HB3  TYR  16           HB3      TYR  16  10.114  -0.041  14.352
   95    HD1  TYR  16           HD1      TYR  16   7.476  -2.440  14.711
   96    HD2  TYR  16           HD2      TYR  16   8.313   1.731  14.653
   97    HE1  TYR  16           HE1      TYR  16   5.347  -2.003  15.861
   98    HE2  TYR  16           HE2      TYR  16   6.187   2.180  15.804
   99    HH   TYR  16           HH       TYR  16   4.065   1.178  16.208
  100    H    CYS  17           H        CYS  17   8.843  -2.855  12.465
  101    HA   CYS  17           HA       CYS  17   6.782  -2.847  10.431
  102    HB2  CYS  17           HB2      CYS  17   8.407  -4.887  11.830
  103    HB3  CYS  17           HB3      CYS  17   6.792  -5.394  11.346
  104    H    GLU  18           H        GLU  18   4.632  -3.069  10.738
  105    HA   GLU  18           HA       GLU  18   3.604  -3.768  13.374
  106    HB2  GLU  18           HB2      GLU  18   3.925  -1.238  13.208
  107    HB3  GLU  18           HB3      GLU  18   2.635  -1.260  12.013
  108    HG2  GLU  18           HG2      GLU  18   2.241  -0.874  14.639
  109    HG3  GLU  18           HG3      GLU  18   1.033  -1.558  13.553
  110    H    GLY  19           H        GLY  19   2.472  -5.519  12.749
  111    HA2  GLY  19           HA2      GLY  19   0.835  -5.387  10.328
  112    HA3  GLY  19           HA3      GLY  19   1.193  -6.833  11.261
  113    H    ALA  20           H        ALA  20   0.268  -4.145  13.135
  114    HA   ALA  20           HA       ALA  20  -2.554  -4.931  13.132
  115    HB1  ALA  20           HB1      ALA  20  -2.304  -6.082  15.021
  116    HB2  ALA  20           HB2      ALA  20  -0.656  -5.496  15.248
  117    HB3  ALA  20           HB3      ALA  20  -2.019  -4.534  15.819
  118    H    ARG  21           H        ARG  21  -0.648  -2.920  15.351
  119    HA   ARG  21           HA       ARG  21  -1.630  -0.472  14.181
  120    HB2  ARG  21           HB2      ARG  21  -3.105  -1.718  16.276
  121    HB3  ARG  21           HB3      ARG  21  -2.345  -0.275  16.934
  122    HG2  ARG  21           HG2      ARG  21  -3.343   0.625  14.550
  123    HG3  ARG  21           HG3      ARG  21  -4.564  -0.540  15.065
  124    HD2  ARG  21           HD2      ARG  21  -5.386   1.136  16.298
  125    HD3  ARG  21           HD3      ARG  21  -4.034   0.813  17.383
  126    HE   ARG  21           HE       ARG  21  -3.095   2.795  16.738
  127   HH11  ARG  21          HH11      ARG  21  -5.540   1.896  14.429
  128   HH12  ARG  21          HH12      ARG  21  -5.457   3.394  13.562
  129   HH21  ARG  21          HH21      ARG  21  -2.976   4.771  15.606
  130   HH22  ARG  21          HH22      ARG  21  -3.998   5.028  14.232
  131    H    CYS  22           H        CYS  22  -0.428   1.304  14.766
  132    HA   CYS  22           HA       CYS  22   2.158   0.856  15.781
  133    HB2  CYS  22           HB2      CYS  22   0.730   3.513  15.580
  134    HB3  CYS  22           HB3      CYS  22   2.470   3.245  15.605
  135    H    GLU  23           H        GLU  23   3.138   1.903  17.666
  136    HA   GLU  23           HA       GLU  23   1.612   1.366  20.030
  137    HB2  GLU  23           HB2      GLU  23   4.359   2.594  19.734
  138    HB3  GLU  23           HB3      GLU  23   3.656   2.008  21.234
  139    HG2  GLU  23           HG2      GLU  23   3.423  -0.191  19.682
  140    HG3  GLU  23           HG3      GLU  23   4.888   0.532  19.018
  141    H    SER  24           H        SER  24   1.745   3.013  21.890
  142    HA   SER  24           HA       SER  24   0.280   5.321  21.090
  143    HB2  SER  24           HB2      SER  24   0.779   3.914  23.512
  144    HB3  SER  24           HB3      SER  24   1.229   5.599  23.773
  145    HG   SER  24           HG       SER  24  -0.849   6.184  23.005
  146    H    GLY  25           H        GLY  25   2.818   5.292  19.851
  147    HA2  GLY  25           HA2      GLY  25   3.697   7.944  20.521
  148    HA3  GLY  25           HA3      GLY  25   4.872   6.713  20.960
  149    H    PHE  26           H        PHE  26   2.975   5.889  18.267
  150    HA   PHE  26           HA       PHE  26   4.977   6.941  16.395
  151    HB2  PHE  26           HB2      PHE  26   4.003   4.080  16.526
  152    HB3  PHE  26           HB3      PHE  26   4.954   4.748  15.203
  153    HD1  PHE  26           HD1      PHE  26   7.189   4.269  15.238
  154    HD2  PHE  26           HD2      PHE  26   5.107   4.632  18.933
  155    HE1  PHE  26           HE1      PHE  26   9.259   3.728  16.453
  156    HE2  PHE  26           HE2      PHE  26   7.174   4.092  20.154
  157    HZ   PHE  26           HZ       PHE  26   9.253   3.640  18.914
  158    H    HIS  27           H        HIS  27   4.169   6.302  14.041
  159    HA   HIS  27           HA       HIS  27   1.265   6.664  13.864
  160    HB2  HIS  27           HB2      HIS  27   1.901   8.291  11.884
  161    HB3  HIS  27           HB3      HIS  27   1.798   8.881  13.540
  162    HD1  HIS  27           HD1      HIS  27   3.948   9.694  14.637
  163    HD2  HIS  27           HD2      HIS  27   4.537   8.076  10.857
  164    HE1  HIS  27           HE1      HIS  27   6.312  10.283  14.015
  165    H    ASP  28           H        ASP  28   0.351   5.401  12.374
  166    HA   ASP  28           HA       ASP  28   1.786   3.444  10.989
  167    HB2  ASP  28           HB2      ASP  28  -0.477   2.960  11.397
  168    HB3  ASP  28           HB3      ASP  28  -1.019   4.498  10.729
  169    H    CYS  29           H        CYS  29   3.137   3.704   9.349
  170    HA   CYS  29           HA       CYS  29   2.524   5.768   7.336
  171    HB2  CYS  29           HB2      CYS  29   5.035   5.752   6.915
  172    HB3  CYS  29           HB3      CYS  29   4.504   6.472   8.432
  173    H    GLY  30           H        GLY  30   1.755   2.886   7.481
  174    HA2  GLY  30           HA2      GLY  30   3.235   1.255   5.801
  175    HA3  GLY  30           HA3      GLY  30   1.489   1.170   5.978
  176    H    SER  31           H        SER  31   1.649   4.144   4.993
  177    HA   SER  31           HA       SER  31   0.642   3.850   2.490
  178    HB2  SER  31           HB2      SER  31   1.513   6.167   2.013
  179    HB3  SER  31           HB3      SER  31   0.633   6.013   3.533
  180    HG   SER  31           HG       SER  31   2.476   6.217   4.644
  181    H    ASP  32           H        ASP  32   3.975   5.035   2.833
  182    HA   ASP  32           HA       ASP  32   4.666   3.532   0.401
  183    HB2  ASP  32           HB2      ASP  32   6.716   5.192   0.548
  184    HB3  ASP  32           HB3      ASP  32   5.176   5.714  -0.129
  185    H    HIS  33           H        HIS  33   4.591   2.375   3.071
  186    HA   HIS  33           HA       HIS  33   7.315   1.341   3.118
  187    HB2  HIS  33           HB2      HIS  33   5.958   2.402   5.605
  188    HB3  HIS  33           HB3      HIS  33   7.520   1.592   5.546
  189    HD1  HIS  33           HD1      HIS  33   6.415   4.776   6.109
  190    HD2  HIS  33           HD2      HIS  33   9.089   3.245   3.322
  191    HE1  HIS  33           HE1      HIS  33   7.848   6.722   5.413
  192    H    TRP  34           H        TRP  34   7.114  -0.784   2.957
  193    HA   TRP  34           HA       TRP  34   4.839  -2.086   4.304
  194    HB2  TRP  34           HB2      TRP  34   5.459  -3.932   2.490
  195    HB3  TRP  34           HB3      TRP  34   4.376  -2.593   2.118
  196    HD1  TRP  34           HD1      TRP  34   4.949  -1.346  -0.036
  197    HE1  TRP  34           HE1      TRP  34   7.047  -1.045  -1.496
  198    HE3  TRP  34           HE3      TRP  34   8.318  -3.888   2.850
  199    HZ2  TRP  34           HZ2      TRP  34   9.769  -1.788  -1.434
  200    HZ3  TRP  34           HZ3      TRP  34  10.649  -4.046   2.078
  201    HH2  TRP  34           HH2      TRP  34  11.357  -3.018  -0.020
  202    H    CYS  35           H        CYS  35   5.259  -4.391   4.903
  203    HA   CYS  35           HA       CYS  35   7.939  -4.600   6.078
  204    HB2  CYS  35           HB2      CYS  35   5.250  -5.691   6.821
  205    HB3  CYS  35           HB3      CYS  35   6.701  -6.524   7.370
  206    H    ASP  36           H        ASP  36   8.625  -6.998   6.391
  207    HA   ASP  36           HA       ASP  36   9.354  -8.070   3.970
  208    HB2  ASP  36           HB2      ASP  36   9.137  -9.187   6.730
  209    HB3  ASP  36           HB3      ASP  36   9.443 -10.302   5.400
  210    H    ALA  37           H        ALA  37   6.464  -8.759   5.870
  211    HA   ALA  37           HA       ALA  37   5.540 -10.680   3.876
  212    HB1  ALA  37           HB1      ALA  37   5.271 -10.587   6.606
  213    HB2  ALA  37           HB2      ALA  37   3.691 -10.047   6.038
  214    HB3  ALA  37           HB3      ALA  37   4.332 -11.603   5.512
  215    H    SER  38           H        SER  38   4.328 -10.061   2.222
  216    HA   SER  38           HA       SER  38   3.449  -7.453   1.781
  217    HB2  SER  38           HB2      SER  38   3.071 -10.072   0.487
  218    HB3  SER  38           HB3      SER  38   1.773  -8.915   0.191
  219    HG   SER  38           HG       SER  38   3.447  -7.418  -0.446
  220    H    GLY  39           H        GLY  39   2.422  -6.938   3.832
  221    HA2  GLY  39           HA2      GLY  39  -0.318  -6.734   3.722
  222    HA3  GLY  39           HA3      GLY  39  -0.013  -8.222   4.606
  223    H    ASP  40           H        ASP  40   2.543  -6.964   5.646
  224    HA   ASP  40           HA       ASP  40   1.308  -5.734   7.968
  225    HB2  ASP  40           HB2      ASP  40   3.953  -6.930   7.335
  226    HB3  ASP  40           HB3      ASP  40   3.924  -5.672   8.568
  227    H    ARG  41           H        ARG  41   1.313  -3.624   8.438
  228    HA   ARG  41           HA       ARG  41   2.558  -1.803   6.524
  229    HB2  ARG  41           HB2      ARG  41   1.169  -0.243   8.326
  230    HB3  ARG  41           HB3      ARG  41   0.565  -0.809   6.775
  231    HG2  ARG  41           HG2      ARG  41  -0.529  -2.667   7.798
  232    HG3  ARG  41           HG3      ARG  41   0.233  -2.323   9.353
  233    HD2  ARG  41           HD2      ARG  41  -1.791  -1.348   9.721
  234    HD3  ARG  41           HD3      ARG  41  -0.952   0.019   8.989
  235    HE   ARG  41           HE       ARG  41  -3.116  -1.514   7.845
  236   HH11  ARG  41          HH11      ARG  41  -0.490   0.693   7.251
  237   HH12  ARG  41          HH12      ARG  41  -1.151   1.284   5.763
  238   HH21  ARG  41          HH21      ARG  41  -3.997  -0.744   5.887
  239   HH22  ARG  41          HH22      ARG  41  -3.146   0.466   4.988
  240    H    CYS  42           H        CYS  42   4.314  -0.636   6.967
  241    HA   CYS  42           HA       CYS  42   5.640  -0.979   9.503
  242    HB2  CYS  42           HB2      CYS  42   6.334   0.162   6.850
  243    HB3  CYS  42           HB3      CYS  42   7.209   0.798   8.240
  244    H    CYS  43           H        CYS  43   5.739   0.416  11.158
  245    HA   CYS  43           HA       CYS  43   4.197   2.893  10.934
  246    HB2  CYS  43           HB2      CYS  43   5.146   1.256  13.280
  247    HB3  CYS  43           HB3      CYS  43   4.500   2.881  13.481
  248    H    CYS  44           H        CYS  44   5.022   4.842  12.009
  249    HA   CYS  44           HA       CYS  44   7.951   4.996  12.113
  250    HB2  CYS  44           HB2      CYS  44   6.178   6.959  10.643
  251    HB3  CYS  44           HB3      CYS  44   7.920   7.103  10.852
  252    H    ALA  45           H        ALA  45   8.694   6.091  13.820
  253    HA   ALA  45           HA       ALA  45   6.820   7.195  15.707
  254    HB1  ALA  45           HB1      ALA  45   8.469   7.004  17.245
  255    HB2  ALA  45           HB2      ALA  45   9.139   5.904  16.040
  256    HB3  ALA  45           HB3      ALA  45   9.721   7.566  16.136
  Start of MODEL    3
    1    H    CYS   1           H        CYS   1   1.717  -0.321   0.694
    2    HA   CYS   1           HA       CYS   1   1.487   0.137  -2.208
    3    HB2  CYS   1           HB2      CYS   1   3.987   0.811  -1.965
    4    HB3  CYS   1           HB3      CYS   1   2.742   1.973  -1.517
    5    H    TYR   2           H        TYR   2   2.998  -1.044  -3.539
    6    HA   TYR   2           HA       TYR   2   3.402  -3.733  -2.545
    7    HB2  TYR   2           HB2      TYR   2   2.915  -2.557  -5.077
    8    HB3  TYR   2           HB3      TYR   2   4.479  -3.358  -5.175
    9    HD1  TYR   2           HD1      TYR   2   1.540  -4.388  -3.151
   10    HD2  TYR   2           HD2      TYR   2   3.998  -5.218  -6.523
   11    HE1  TYR   2           HE1      TYR   2   0.407  -6.553  -3.436
   12    HE2  TYR   2           HE2      TYR   2   2.871  -7.385  -6.818
   13    HH   TYR   2           HH       TYR   2   1.141  -8.879  -4.559
   14    HA   PRO   3           HA       PRO   3   7.695  -3.501  -1.666
   15    HB2  PRO   3           HB2      PRO   3   8.540  -5.959  -2.450
   16    HB3  PRO   3           HB3      PRO   3   7.560  -5.697  -1.002
   17    HG2  PRO   3           HG2      PRO   3   6.711  -6.604  -3.725
   18    HG3  PRO   3           HG3      PRO   3   6.209  -7.212  -2.137
   19    HD2  PRO   3           HD2      PRO   3   4.687  -5.511  -3.592
   20    HD3  PRO   3           HD3      PRO   3   4.701  -5.498  -1.817
   21    H    GLY   4           H        GLY   4   8.054  -1.854  -3.347
   22    HA2  GLY   4           HA2      GLY   4  10.133  -1.690  -4.776
   23    HA3  GLY   4           HA3      GLY   4   9.393  -2.963  -5.735
   24    H    GLN   5           H        GLN   5   7.140  -0.766  -4.480
   25    HA   GLN   5           HA       GLN   5   6.493   0.197  -7.099
   26    HB2  GLN   5           HB2      GLN   5   5.389   0.918  -4.380
   27    HB3  GLN   5           HB3      GLN   5   4.726   1.489  -5.906
   28    HG2  GLN   5           HG2      GLN   5   4.693  -1.139  -6.384
   29    HG3  GLN   5           HG3      GLN   5   4.542  -1.165  -4.628
   30   HE21  GLN   5          HE21      GLN   5   2.841  -1.152  -7.412
   31   HE22  GLN   5          HE22      GLN   5   1.353  -0.476  -6.853
   32    HA   PRO   6           HA       PRO   6   8.715   3.978  -7.222
   33    HB2  PRO   6           HB2      PRO   6   6.965   5.595  -8.525
   34    HB3  PRO   6           HB3      PRO   6   7.846   4.289  -9.327
   35    HG2  PRO   6           HG2      PRO   6   5.033   4.327  -8.303
   36    HG3  PRO   6           HG3      PRO   6   5.661   3.671  -9.826
   37    HD2  PRO   6           HD2      PRO   6   5.098   2.107  -7.688
   38    HD3  PRO   6           HD3      PRO   6   6.405   1.730  -8.829
   39    H    GLY   7           H        GLY   7   8.765   4.448  -4.967
   40    HA2  GLY   7           HA2      GLY   7   8.352   6.722  -3.888
   41    HA3  GLY   7           HA3      GLY   7   6.655   6.289  -4.037
   42    H    CYS   8           H        CYS   8   7.248   3.445  -3.430
   43    HA   CYS   8           HA       CYS   8   7.330   3.746  -0.523
   44    HB2  CYS   8           HB2      CYS   8   5.494   2.471  -1.845
   45    HB3  CYS   8           HB3      CYS   8   6.694   1.188  -1.965
   46    H    GLY   9           H        GLY   9   8.355   1.828   0.669
   47    HA2  GLY   9           HA2      GLY   9  10.410   0.297  -0.450
   48    HA3  GLY   9           HA3      GLY   9  11.119   1.807   0.100
   49    H    HIS  10           H        HIS  10  12.210  -0.155   1.325
   50    HA   HIS  10           HA       HIS  10  10.822  -1.246   3.545
   51    HB2  HIS  10           HB2      HIS  10  13.214  -1.766   2.327
   52    HB3  HIS  10           HB3      HIS  10  13.740  -0.985   3.815
   53    HD1  HIS  10           HD1      HIS  10  13.804  -4.146   2.846
   54    HD2  HIS  10           HD2      HIS  10  11.541  -2.371   5.844
   55    HE1  HIS  10           HE1      HIS  10  13.206  -6.007   4.428
   56    H    CYS  11           H        CYS  11  10.213  -0.259   5.343
   57    HA   CYS  11           HA       CYS  11  10.876   2.411   5.952
   58    HB2  CYS  11           HB2      CYS  11   9.600   2.107   7.969
   59    HB3  CYS  11           HB3      CYS  11   8.789   1.233   6.674
   60    H    SER  12           H        SER  12  11.798   3.095   8.099
   61    HA   SER  12           HA       SER  12  13.786   1.346   9.260
   62    HB2  SER  12           HB2      SER  12  14.936   3.918   8.315
   63    HB3  SER  12           HB3      SER  12  15.700   2.338   8.492
   64    HG   SER  12           HG       SER  12  15.461   2.890   6.300
   65    H    ARG  13           H        ARG  13  14.598   2.099  11.243
   66    HA   ARG  13           HA       ARG  13  12.937   3.377  12.949
   67    HB2  ARG  13           HB2      ARG  13  15.913   3.112  12.895
   68    HB3  ARG  13           HB3      ARG  13  15.175   4.124  14.130
   69    HG2  ARG  13           HG2      ARG  13  13.824   1.589  13.950
   70    HG3  ARG  13           HG3      ARG  13  15.556   1.368  14.206
   71    HD2  ARG  13           HD2      ARG  13  15.500   2.274  16.279
   72    HD3  ARG  13           HD3      ARG  13  14.257   3.447  15.847
   73    HE   ARG  13           HE       ARG  13  13.348   0.709  16.019
   74   HH11  ARG  13          HH11      ARG  13  13.816   3.729  17.688
   75   HH12  ARG  13          HH12      ARG  13  12.638   3.385  18.911
   76   HH21  ARG  13          HH21      ARG  13  11.796   0.245  17.625
   77   HH22  ARG  13          HH22      ARG  13  11.491   1.403  18.875
   78    HA   PRO  14           HA       PRO  14  12.926   4.723  14.775
   79    HB2  PRO  14           HB2      PRO  14  10.833   6.385  15.253
   80    HB3  PRO  14           HB3      PRO  14  12.498   6.787  15.690
   81    HG2  PRO  14           HG2      PRO  14  10.902   7.656  13.312
   82    HG3  PRO  14           HG3      PRO  14  11.981   8.612  14.345
   83    HD2  PRO  14           HD2      PRO  14  12.743   7.664  11.926
   84    HD3  PRO  14           HD3      PRO  14  13.879   7.857  13.277
   85    H    ASN  15           H        ASN  15  11.918   4.490  11.762
   86    HA   ASN  15           HA       ASN  15   9.169   3.692  12.177
   87    HB2  ASN  15           HB2      ASN  15  10.732   3.117   9.678
   88    HB3  ASN  15           HB3      ASN  15   9.016   3.472   9.855
   89   HD21  ASN  15          HD21      ASN  15  11.001   4.691   8.112
   90   HD22  ASN  15          HD22      ASN  15  11.000   6.377   8.488
   91    H    TYR  16           H        TYR  16   8.357   1.605  12.055
   92    HA   TYR  16           HA       TYR  16  10.253  -0.610  11.870
   93    HB2  TYR  16           HB2      TYR  16   9.554  -1.622  13.929
   94    HB3  TYR  16           HB3      TYR  16  10.028   0.035  14.287
   95    HD1  TYR  16           HD1      TYR  16   7.424  -2.408  14.510
   96    HD2  TYR  16           HD2      TYR  16   8.180   1.780  14.514
   97    HE1  TYR  16           HE1      TYR  16   5.239  -2.020  15.571
   98    HE2  TYR  16           HE2      TYR  16   5.998   2.178  15.576
   99    HH   TYR  16           HH       TYR  16   3.951  -0.492  16.630
  100    H    CYS  17           H        CYS  17   8.790  -2.741  12.319
  101    HA   CYS  17           HA       CYS  17   6.790  -2.643  10.215
  102    HB2  CYS  17           HB2      CYS  17   8.383  -4.745  11.556
  103    HB3  CYS  17           HB3      CYS  17   6.774  -5.226  11.026
  104    H    GLU  18           H        GLU  18   4.634  -2.864  10.474
  105    HA   GLU  18           HA       GLU  18   3.556  -3.663  13.061
  106    HB2  GLU  18           HB2      GLU  18   3.890  -1.114  12.953
  107    HB3  GLU  18           HB3      GLU  18   2.574  -1.120  11.787
  108    HG2  GLU  18           HG2      GLU  18   2.160  -0.738  14.362
  109    HG3  GLU  18           HG3      GLU  18   1.001  -1.596  13.348
  110    H    GLY  19           H        GLY  19   2.461  -5.400  12.326
  111    HA2  GLY  19           HA2      GLY  19   0.887  -5.200   9.877
  112    HA3  GLY  19           HA3      GLY  19   1.180  -6.660  10.810
  113    H    ALA  20           H        ALA  20   0.287  -4.111  12.808
  114    HA   ALA  20           HA       ALA  20  -2.566  -4.790  12.645
  115    HB1  ALA  20           HB1      ALA  20  -0.960  -4.712  15.197
  116    HB2  ALA  20           HB2      ALA  20  -2.703  -4.960  15.077
  117    HB3  ALA  20           HB3      ALA  20  -1.594  -6.161  14.415
  118    H    ARG  21           H        ARG  21  -0.628  -2.823  14.886
  119    HA   ARG  21           HA       ARG  21  -1.529  -0.349  13.743
  120    HB2  ARG  21           HB2      ARG  21  -3.157  -1.584  15.721
  121    HB3  ARG  21           HB3      ARG  21  -2.392  -0.183  16.459
  122    HG2  ARG  21           HG2      ARG  21  -3.376   0.482  13.844
  123    HG3  ARG  21           HG3      ARG  21  -4.657  -0.227  14.830
  124    HD2  ARG  21           HD2      ARG  21  -2.909   1.830  16.073
  125    HD3  ARG  21           HD3      ARG  21  -4.104   2.365  14.892
  126    HE   ARG  21           HE       ARG  21  -5.538   0.792  16.565
  127   HH11  ARG  21          HH11      ARG  21  -3.402   3.497  17.053
  128   HH12  ARG  21          HH12      ARG  21  -4.221   4.055  18.474
  129   HH21  ARG  21          HH21      ARG  21  -6.625   1.516  18.435
  130   HH22  ARG  21          HH22      ARG  21  -6.054   2.927  19.260
  131    H    CYS  22           H        CYS  22  -0.315   1.385  14.416
  132    HA   CYS  22           HA       CYS  22   2.205   0.880  15.534
  133    HB2  CYS  22           HB2      CYS  22   0.822   3.565  15.431
  134    HB3  CYS  22           HB3      CYS  22   2.555   3.258  15.458
  135    H    GLU  23           H        GLU  23   3.090   1.276  17.544
  136    HA   GLU  23           HA       GLU  23   1.349   0.958  19.772
  137    HB2  GLU  23           HB2      GLU  23   4.273   1.711  19.824
  138    HB3  GLU  23           HB3      GLU  23   3.346   0.974  21.123
  139    HG2  GLU  23           HG2      GLU  23   3.095  -0.704  18.871
  140    HG3  GLU  23           HG3      GLU  23   4.798  -0.278  19.021
  141    H    SER  24           H        SER  24   1.445   2.391  21.711
  142    HA   SER  24           HA       SER  24   0.496   4.943  21.118
  143    HB2  SER  24           HB2      SER  24   1.119   3.413  23.520
  144    HB3  SER  24           HB3      SER  24   1.433   5.136  23.728
  145    HG   SER  24           HG       SER  24  -0.728   5.480  22.911
  146    H    GLY  25           H        GLY  25   1.949   5.993  19.734
  147    HA2  GLY  25           HA2      GLY  25   3.520   7.955  20.517
  148    HA3  GLY  25           HA3      GLY  25   4.616   6.605  20.770
  149    H    PHE  26           H        PHE  26   3.545   5.138  18.447
  150    HA   PHE  26           HA       PHE  26   5.074   6.571  16.409
  151    HB2  PHE  26           HB2      PHE  26   4.107   3.709  16.540
  152    HB3  PHE  26           HB3      PHE  26   5.014   4.390  15.193
  153    HD1  PHE  26           HD1      PHE  26   5.225   3.936  18.884
  154    HD2  PHE  26           HD2      PHE  26   7.312   4.220  15.185
  155    HE1  PHE  26           HE1      PHE  26   7.330   3.388  20.033
  156    HE2  PHE  26           HE2      PHE  26   9.420   3.671  16.328
  157    HZ   PHE  26           HZ       PHE  26   9.431   3.254  18.755
  158    H    HIS  27           H        HIS  27   4.262   6.286  14.107
  159    HA   HIS  27           HA       HIS  27   1.331   6.508  13.990
  160    HB2  HIS  27           HB2      HIS  27   1.827   8.256  12.124
  161    HB3  HIS  27           HB3      HIS  27   1.909   8.754  13.811
  162    HD1  HIS  27           HD1      HIS  27   4.148   9.552  14.686
  163    HD2  HIS  27           HD2      HIS  27   4.364   7.994  10.841
  164    HE1  HIS  27           HE1      HIS  27   6.451  10.129  13.856
  165    H    ASP  28           H        ASP  28   0.352   5.573  12.255
  166    HA   ASP  28           HA       ASP  28   1.757   3.582  10.828
  167    HB2  ASP  28           HB2      ASP  28  -0.521   3.138  11.161
  168    HB3  ASP  28           HB3      ASP  28  -1.008   4.739  10.612
  169    H    CYS  29           H        CYS  29   3.174   3.935   9.260
  170    HA   CYS  29           HA       CYS  29   2.620   6.092   7.328
  171    HB2  CYS  29           HB2      CYS  29   5.165   6.080   7.004
  172    HB3  CYS  29           HB3      CYS  29   4.544   6.799   8.487
  173    H    GLY  30           H        GLY  30   1.854   3.224   7.290
  174    HA2  GLY  30           HA2      GLY  30   3.440   1.688   5.596
  175    HA3  GLY  30           HA3      GLY  30   1.693   1.553   5.725
  176    H    SER  31           H        SER  31   1.901   4.600   4.880
  177    HA   SER  31           HA       SER  31   0.908   4.426   2.358
  178    HB2  SER  31           HB2      SER  31   2.217   6.516   3.926
  179    HB3  SER  31           HB3      SER  31   2.439   6.728   2.189
  180    HG   SER  31           HG       SER  31   0.486   7.480   2.199
  181    H    ASP  32           H        ASP  32   4.269   5.503   2.796
  182    HA   ASP  32           HA       ASP  32   4.949   4.090   0.306
  183    HB2  ASP  32           HB2      ASP  32   7.027   5.705   0.529
  184    HB3  ASP  32           HB3      ASP  32   5.503   6.282  -0.138
  185    H    HIS  33           H        HIS  33   4.826   2.821   2.912
  186    HA   HIS  33           HA       HIS  33   7.520   1.722   2.940
  187    HB2  HIS  33           HB2      HIS  33   6.223   2.675   5.498
  188    HB3  HIS  33           HB3      HIS  33   7.819   1.951   5.326
  189    HD1  HIS  33           HD1      HIS  33   6.438   5.085   5.939
  190    HD2  HIS  33           HD2      HIS  33   9.344   3.747   3.288
  191    HE1  HIS  33           HE1      HIS  33   7.775   7.124   5.323
  192    H    TRP  34           H        TRP  34   7.320  -0.406   2.832
  193    HA   TRP  34           HA       TRP  34   4.971  -1.662   4.097
  194    HB2  TRP  34           HB2      TRP  34   5.594  -3.509   2.284
  195    HB3  TRP  34           HB3      TRP  34   4.549  -2.146   1.898
  196    HD1  TRP  34           HD1      TRP  34   5.169  -1.006  -0.296
  197    HE1  TRP  34           HE1      TRP  34   7.315  -0.696  -1.682
  198    HE3  TRP  34           HE3      TRP  34   8.481  -3.374   2.796
  199    HZ2  TRP  34           HZ2      TRP  34  10.051  -1.367  -1.491
  200    HZ3  TRP  34           HZ3      TRP  34  10.844  -3.496   2.121
  201    HH2  TRP  34           HH2      TRP  34  11.611  -2.514   0.021
  202    H    CYS  35           H        CYS  35   5.369  -4.062   4.541
  203    HA   CYS  35           HA       CYS  35   8.002  -4.315   5.826
  204    HB2  CYS  35           HB2      CYS  35   5.275  -5.350   6.504
  205    HB3  CYS  35           HB3      CYS  35   6.694  -6.227   7.067
  206    H    ASP  36           H        ASP  36   8.390  -6.869   6.211
  207    HA   ASP  36           HA       ASP  36   9.382  -7.925   3.906
  208    HB2  ASP  36           HB2      ASP  36   8.515  -9.116   6.491
  209    HB3  ASP  36           HB3      ASP  36   8.833 -10.224   5.159
  210    H    ALA  37           H        ALA  37   6.135  -8.453   5.225
  211    HA   ALA  37           HA       ALA  37   5.388  -9.914   2.799
  212    HB1  ALA  37           HB1      ALA  37   3.842  -9.523   5.359
  213    HB2  ALA  37           HB2      ALA  37   3.374 -10.554   4.006
  214    HB3  ALA  37           HB3      ALA  37   4.814 -10.936   4.950
  215    H    SER  38           H        SER  38   3.760  -9.245   1.431
  216    HA   SER  38           HA       SER  38   3.355  -6.432   1.230
  217    HB2  SER  38           HB2      SER  38   2.175  -6.900  -0.786
  218    HB3  SER  38           HB3      SER  38   3.480  -8.083  -0.700
  219    HG   SER  38           HG       SER  38   1.884  -9.433  -1.006
  220    H    GLY  39           H        GLY  39   2.428  -7.162   3.706
  221    HA2  GLY  39           HA2      GLY  39  -0.379  -6.394   3.475
  222    HA3  GLY  39           HA3      GLY  39  -0.041  -7.901   4.314
  223    H    ASP  40           H        ASP  40   2.564  -6.589   5.246
  224    HA   ASP  40           HA       ASP  40   1.390  -5.398   7.635
  225    HB2  ASP  40           HB2      ASP  40   3.987  -6.674   6.956
  226    HB3  ASP  40           HB3      ASP  40   4.008  -5.436   8.208
  227    H    ARG  41           H        ARG  41   1.435  -3.290   8.085
  228    HA   ARG  41           HA       ARG  41   2.765  -1.506   6.191
  229    HB2  ARG  41           HB2      ARG  41   1.397   0.118   7.926
  230    HB3  ARG  41           HB3      ARG  41   0.771  -0.494   6.401
  231    HG2  ARG  41           HG2      ARG  41  -0.410  -2.235   7.473
  232    HG3  ARG  41           HG3      ARG  41   0.435  -1.963   8.999
  233    HD2  ARG  41           HD2      ARG  41  -1.292  -0.687   9.592
  234    HD3  ARG  41           HD3      ARG  41  -0.705   0.491   8.419
  235    HE   ARG  41           HE       ARG  41  -2.997  -1.248   8.148
  236   HH11  ARG  41          HH11      ARG  41  -0.686   0.790   6.527
  237   HH12  ARG  41          HH12      ARG  41  -1.696   1.057   5.144
  238   HH21  ARG  41          HH21      ARG  41  -4.335  -0.904   6.333
  239   HH22  ARG  41          HH22      ARG  41  -3.771   0.094   5.035
  240    H    CYS  42           H        CYS  42   4.495  -0.300   6.683
  241    HA   CYS  42           HA       CYS  42   5.815  -0.732   9.207
  242    HB2  CYS  42           HB2      CYS  42   6.509   0.516   6.602
  243    HB3  CYS  42           HB3      CYS  42   7.378   1.100   8.018
  244    H    CYS  43           H        CYS  43   5.825   0.565  10.931
  245    HA   CYS  43           HA       CYS  43   4.309   3.060  10.784
  246    HB2  CYS  43           HB2      CYS  43   5.190   1.294  13.057
  247    HB3  CYS  43           HB3      CYS  43   4.597   2.927  13.344
  248    H    CYS  44           H        CYS  44   5.115   4.958  11.961
  249    HA   CYS  44           HA       CYS  44   8.042   5.103  12.126
  250    HB2  CYS  44           HB2      CYS  44   6.305   7.147  10.725
  251    HB3  CYS  44           HB3      CYS  44   8.048   7.251  10.952
  252    H    ALA  45           H        ALA  45   8.758   6.130  13.888
  253    HA   ALA  45           HA       ALA  45   6.850   7.145  15.791
  254    HB1  ALA  45           HB1      ALA  45   8.480   6.904  17.348
  255    HB2  ALA  45           HB2      ALA  45   9.156   5.840  16.114
  256    HB3  ALA  45           HB3      ALA  45   9.749   7.493  16.273
  Start of MODEL    4
    1    H    CYS   1           H        CYS   1   1.436  -0.307   0.742
    2    HA   CYS   1           HA       CYS   1   1.368  -0.059  -2.187
    3    HB2  CYS   1           HB2      CYS   1   3.842   0.713  -1.898
    4    HB3  CYS   1           HB3      CYS   1   2.543   1.881  -1.683
    5    H    TYR   2           H        TYR   2   2.800  -1.430  -3.321
    6    HA   TYR   2           HA       TYR   2   3.356  -3.902  -1.921
    7    HB2  TYR   2           HB2      TYR   2   2.753  -3.158  -4.603
    8    HB3  TYR   2           HB3      TYR   2   4.312  -3.974  -4.608
    9    HD1  TYR   2           HD1      TYR   2   3.948  -6.111  -5.431
   10    HD2  TYR   2           HD2      TYR   2   1.272  -4.543  -2.518
   11    HE1  TYR   2           HE1      TYR   2   2.811  -8.289  -5.312
   12    HE2  TYR   2           HE2      TYR   2   0.129  -6.717  -2.389
   13    HH   TYR   2           HH       TYR   2   1.005  -9.293  -2.957
   14    HA   PRO   3           HA       PRO   3   7.678  -3.435  -1.335
   15    HB2  PRO   3           HB2      PRO   3   8.606  -5.922  -1.900
   16    HB3  PRO   3           HB3      PRO   3   7.684  -5.550  -0.439
   17    HG2  PRO   3           HG2      PRO   3   6.753  -6.781  -3.004
   18    HG3  PRO   3           HG3      PRO   3   6.358  -7.237  -1.337
   19    HD2  PRO   3           HD2      PRO   3   4.686  -5.770  -2.881
   20    HD3  PRO   3           HD3      PRO   3   4.784  -5.567  -1.120
   21    H    GLY   4           H        GLY   4   7.781  -1.972  -3.251
   22    HA2  GLY   4           HA2      GLY   4   9.860  -1.968  -4.782
   23    HA3  GLY   4           HA3      GLY   4   8.990  -3.251  -5.609
   24    H    GLN   5           H        GLN   5   6.697  -1.203  -4.456
   25    HA   GLN   5           HA       GLN   5   6.142  -0.148  -7.060
   26    HB2  GLN   5           HB2      GLN   5   4.821   0.395  -4.395
   27    HB3  GLN   5           HB3      GLN   5   4.200   0.917  -5.956
   28    HG2  GLN   5           HG2      GLN   5   4.278  -1.596  -6.555
   29    HG3  GLN   5           HG3      GLN   5   4.356  -1.836  -4.811
   30   HE21  GLN   5          HE21      GLN   5   2.284  -2.228  -7.060
   31   HE22  GLN   5          HE22      GLN   5   0.834  -1.594  -6.370
   32    HA   PRO   6           HA       PRO   6   8.098   3.774  -6.851
   33    HB2  PRO   6           HB2      PRO   6   6.337   5.324  -8.217
   34    HB3  PRO   6           HB3      PRO   6   7.369   4.122  -9.002
   35    HG2  PRO   6           HG2      PRO   6   4.492   3.915  -8.200
   36    HG3  PRO   6           HG3      PRO   6   5.278   3.377  -9.695
   37    HD2  PRO   6           HD2      PRO   6   4.672   1.679  -7.675
   38    HD3  PRO   6           HD3      PRO   6   6.085   1.448  -8.725
   39    H    GLY   7           H        GLY   7   8.257   4.905  -5.018
   40    HA2  GLY   7           HA2      GLY   7   7.517   6.809  -3.749
   41    HA3  GLY   7           HA3      GLY   7   5.858   6.308  -4.044
   42    H    CYS   8           H        CYS   8   7.590   3.581  -3.363
   43    HA   CYS   8           HA       CYS   8   7.207   3.816  -0.460
   44    HB2  CYS   8           HB2      CYS   8   5.320   2.585  -1.839
   45    HB3  CYS   8           HB3      CYS   8   6.472   1.254  -1.812
   46    H    GLY   9           H        GLY   9   8.445   2.316   0.802
   47    HA2  GLY   9           HA2      GLY   9  10.348   0.571  -0.448
   48    HA3  GLY   9           HA3      GLY   9  11.086   2.058   0.129
   49    H    HIS  10           H        HIS  10  12.184   0.080   1.296
   50    HA   HIS  10           HA       HIS  10  10.818  -1.068   3.504
   51    HB2  HIS  10           HB2      HIS  10  12.660  -2.322   2.880
   52    HB3  HIS  10           HB3      HIS  10  13.671  -0.904   2.621
   53    HD1  HIS  10           HD1      HIS  10  15.325  -0.441   4.404
   54    HD2  HIS  10           HD2      HIS  10  12.179  -2.781   5.777
   55    HE1  HIS  10           HE1      HIS  10  15.923  -1.050   6.769
   56    H    CYS  11           H        CYS  11  10.223  -0.111   5.322
   57    HA   CYS  11           HA       CYS  11  10.923   2.536   5.993
   58    HB2  CYS  11           HB2      CYS  11   9.638   2.210   7.992
   59    HB3  CYS  11           HB3      CYS  11   8.825   1.346   6.691
   60    H    SER  12           H        SER  12  11.846   3.141   8.173
   61    HA   SER  12           HA       SER  12  13.826   1.339   9.266
   62    HB2  SER  12           HB2      SER  12  14.554   3.226   7.231
   63    HB3  SER  12           HB3      SER  12  15.306   3.703   8.753
   64    HG   SER  12           HG       SER  12  16.080   1.514   8.904
   65    H    ARG  13           H        ARG  13  14.657   2.025  11.269
   66    HA   ARG  13           HA       ARG  13  13.008   3.246  13.028
   67    HB2  ARG  13           HB2      ARG  13  16.029   3.376  13.054
   68    HB3  ARG  13           HB3      ARG  13  14.994   3.716  14.435
   69    HG2  ARG  13           HG2      ARG  13  14.123   1.394  14.281
   70    HG3  ARG  13           HG3      ARG  13  15.310   1.084  13.011
   71    HD2  ARG  13           HD2      ARG  13  17.065   1.858  14.682
   72    HD3  ARG  13           HD3      ARG  13  15.799   1.743  15.903
   73    HE   ARG  13           HE       ARG  13  16.051  -0.524  15.876
   74   HH11  ARG  13          HH11      ARG  13  17.406   0.786  12.949
   75   HH12  ARG  13          HH12      ARG  13  18.050  -0.731  12.414
   76   HH21  ARG  13          HH21      ARG  13  16.894  -2.527  15.182
   77   HH22  ARG  13          HH22      ARG  13  17.757  -2.615  13.685
   78    HA   PRO  14           HA       PRO  14  13.009   4.529  14.898
   79    HB2  PRO  14           HB2      PRO  14  10.921   6.175  15.445
   80    HB3  PRO  14           HB3      PRO  14  12.588   6.561  15.886
   81    HG2  PRO  14           HG2      PRO  14  10.979   7.512  13.547
   82    HG3  PRO  14           HG3      PRO  14  12.065   8.431  14.606
   83    HD2  PRO  14           HD2      PRO  14  12.812   7.565  12.152
   84    HD3  PRO  14           HD3      PRO  14  13.956   7.711  13.502
   85    H    ASN  15           H        ASN  15  11.980   4.404  11.884
   86    HA   ASN  15           HA       ASN  15   9.235   3.588  12.292
   87    HB2  ASN  15           HB2      ASN  15  10.768   3.104   9.758
   88    HB3  ASN  15           HB3      ASN  15   9.058   3.467   9.968
   89   HD21  ASN  15          HD21      ASN  15  11.038   4.733   8.250
   90   HD22  ASN  15          HD22      ASN  15  11.055   6.404   8.689
   91    H    TYR  16           H        TYR  16   8.428   1.511  12.141
   92    HA   TYR  16           HA       TYR  16  10.313  -0.697  11.822
   93    HB2  TYR  16           HB2      TYR  16   9.752  -1.757  13.868
   94    HB3  TYR  16           HB3      TYR  16  10.103  -0.083  14.280
   95    HD1  TYR  16           HD1      TYR  16   8.154   1.501  14.639
   96    HD2  TYR  16           HD2      TYR  16   7.671  -2.719  14.394
   97    HE1  TYR  16           HE1      TYR  16   5.962   1.695  15.736
   98    HE2  TYR  16           HE2      TYR  16   5.477  -2.537  15.490
   99    HH   TYR  16           HH       TYR  16   4.264   0.573  16.668
  100    H    CYS  17           H        CYS  17   8.860  -2.842  12.239
  101    HA   CYS  17           HA       CYS  17   6.804  -2.672  10.197
  102    HB2  CYS  17           HB2      CYS  17   8.408  -4.828  11.445
  103    HB3  CYS  17           HB3      CYS  17   6.791  -5.276  10.910
  104    H    GLU  18           H        GLU  18   4.664  -2.785  10.526
  105    HA   GLU  18           HA       GLU  18   3.617  -3.759  13.062
  106    HB2  GLU  18           HB2      GLU  18   4.094  -1.192  13.106
  107    HB3  GLU  18           HB3      GLU  18   2.652  -1.086  12.106
  108    HG2  GLU  18           HG2      GLU  18   2.429  -0.820  14.654
  109    HG3  GLU  18           HG3      GLU  18   1.262  -1.824  13.794
  110    H    GLY  19           H        GLY  19   2.082  -5.157  12.528
  111    HA2  GLY  19           HA2      GLY  19   0.818  -5.090   9.943
  112    HA3  GLY  19           HA3      GLY  19   0.527  -6.264  11.218
  113    H    ALA  20           H        ALA  20   0.060  -3.864  13.066
  114    HA   ALA  20           HA       ALA  20  -2.632  -3.159  12.102
  115    HB1  ALA  20           HB1      ALA  20  -2.501  -3.325  14.985
  116    HB2  ALA  20           HB2      ALA  20  -3.632  -4.081  13.862
  117    HB3  ALA  20           HB3      ALA  20  -2.094  -4.865  14.227
  118    H    ARG  21           H        ARG  21  -3.286  -1.643  14.429
  119    HA   ARG  21           HA       ARG  21  -2.193   0.854  13.721
  120    HB2  ARG  21           HB2      ARG  21  -3.460   0.311  16.391
  121    HB3  ARG  21           HB3      ARG  21  -3.531   1.773  15.417
  122    HG2  ARG  21           HG2      ARG  21  -4.654  -0.358  13.910
  123    HG3  ARG  21           HG3      ARG  21  -5.374  -0.365  15.521
  124    HD2  ARG  21           HD2      ARG  21  -6.170   1.829  15.296
  125    HD3  ARG  21           HD3      ARG  21  -5.111   2.162  13.925
  126    HE   ARG  21           HE       ARG  21  -6.767   0.118  13.114
  127   HH11  ARG  21          HH11      ARG  21  -7.152   3.388  14.246
  128   HH12  ARG  21          HH12      ARG  21  -8.605   3.668  13.344
  129   HH21  ARG  21          HH21      ARG  21  -8.679   0.474  11.922
  130   HH22  ARG  21          HH22      ARG  21  -9.473   2.009  12.023
  131    H    CYS  22           H        CYS  22  -0.416   1.896  14.361
  132    HA   CYS  22           HA       CYS  22   1.660   0.672  15.726
  133    HB2  CYS  22           HB2      CYS  22   1.282   3.659  15.727
  134    HB3  CYS  22           HB3      CYS  22   2.785   2.745  15.654
  135    H    GLU  23           H        GLU  23   2.656   1.304  17.793
  136    HA   GLU  23           HA       GLU  23   0.751   1.130  19.915
  137    HB2  GLU  23           HB2      GLU  23   3.542   1.825  20.587
  138    HB3  GLU  23           HB3      GLU  23   2.510   0.555  21.229
  139    HG2  GLU  23           HG2      GLU  23   2.864  -0.645  19.024
  140    HG3  GLU  23           HG3      GLU  23   4.142   0.528  18.713
  141    H    SER  24           H        SER  24   0.717   2.596  21.780
  142    HA   SER  24           HA       SER  24   0.093   5.213  21.065
  143    HB2  SER  24           HB2      SER  24   0.528   3.777  23.635
  144    HB3  SER  24           HB3      SER  24   0.545   5.539  23.686
  145    HG   SER  24           HG       SER  24  -1.551   5.120  23.889
  146    H    GLY  25           H        GLY  25   1.898   5.906  19.780
  147    HA2  GLY  25           HA2      GLY  25   3.558   7.753  20.889
  148    HA3  GLY  25           HA3      GLY  25   4.479   6.261  21.009
  149    H    PHE  26           H        PHE  26   3.545   5.087  18.578
  150    HA   PHE  26           HA       PHE  26   5.131   6.673  16.704
  151    HB2  PHE  26           HB2      PHE  26   4.172   3.808  16.572
  152    HB3  PHE  26           HB3      PHE  26   5.145   4.594  15.333
  153    HD1  PHE  26           HD1      PHE  26   5.259   4.270  19.053
  154    HD2  PHE  26           HD2      PHE  26   7.349   3.993  15.356
  155    HE1  PHE  26           HE1      PHE  26   7.305   3.629  20.261
  156    HE2  PHE  26           HE2      PHE  26   9.397   3.350  16.557
  157    HZ   PHE  26           HZ       PHE  26   9.377   3.166  19.013
  158    H    HIS  27           H        HIS  27   4.331   6.186  14.294
  159    HA   HIS  27           HA       HIS  27   1.429   6.576  14.140
  160    HB2  HIS  27           HB2      HIS  27   2.058   8.337  12.286
  161    HB3  HIS  27           HB3      HIS  27   1.991   8.809  13.981
  162    HD1  HIS  27           HD1      HIS  27   4.167   9.528  15.090
  163    HD2  HIS  27           HD2      HIS  27   4.675   8.160  11.200
  164    HE1  HIS  27           HE1      HIS  27   6.527  10.133  14.467
  165    H    ASP  28           H        ASP  28   0.499   5.477  12.526
  166    HA   ASP  28           HA       ASP  28   1.927   3.592  11.023
  167    HB2  ASP  28           HB2      ASP  28  -0.362   3.141  11.423
  168    HB3  ASP  28           HB3      ASP  28  -0.864   4.699  10.772
  169    H    CYS  29           H        CYS  29   3.304   3.977   9.429
  170    HA   CYS  29           HA       CYS  29   2.702   6.168   7.550
  171    HB2  CYS  29           HB2      CYS  29   5.245   6.131   7.159
  172    HB3  CYS  29           HB3      CYS  29   4.658   6.849   8.656
  173    H    GLY  30           H        GLY  30   1.959   3.272   7.498
  174    HA2  GLY  30           HA2      GLY  30   3.485   1.790   5.711
  175    HA3  GLY  30           HA3      GLY  30   1.744   1.640   5.899
  176    H    SER  31           H        SER  31   1.878   4.699   5.112
  177    HA   SER  31           HA       SER  31   0.818   4.548   2.610
  178    HB2  SER  31           HB2      SER  31   0.875   6.626   3.904
  179    HB3  SER  31           HB3      SER  31   2.617   6.748   3.657
  180    HG   SER  31           HG       SER  31   1.185   7.987   2.190
  181    H    ASP  32           H        ASP  32   4.169   5.671   3.042
  182    HA   ASP  32           HA       ASP  32   4.830   4.393   0.475
  183    HB2  ASP  32           HB2      ASP  32   6.867   6.013   0.669
  184    HB3  ASP  32           HB3      ASP  32   5.299   6.650   0.181
  185    H    HIS  33           H        HIS  33   4.767   3.029   3.054
  186    HA   HIS  33           HA       HIS  33   7.463   1.939   2.969
  187    HB2  HIS  33           HB2      HIS  33   6.231   2.823   5.585
  188    HB3  HIS  33           HB3      HIS  33   7.812   2.079   5.363
  189    HD1  HIS  33           HD1      HIS  33   6.469   5.224   6.056
  190    HD2  HIS  33           HD2      HIS  33   9.351   3.897   3.374
  191    HE1  HIS  33           HE1      HIS  33   7.834   7.255   5.475
  192    H    TRP  34           H        TRP  34   7.288  -0.190   2.833
  193    HA   TRP  34           HA       TRP  34   4.955  -1.490   4.082
  194    HB2  TRP  34           HB2      TRP  34   5.585  -3.298   2.236
  195    HB3  TRP  34           HB3      TRP  34   4.535  -1.931   1.873
  196    HD1  TRP  34           HD1      TRP  34   5.152  -0.768  -0.310
  197    HE1  TRP  34           HE1      TRP  34   7.300  -0.420  -1.684
  198    HE3  TRP  34           HE3      TRP  34   8.476  -3.138   2.767
  199    HZ2  TRP  34           HZ2      TRP  34  10.041  -1.066  -1.489
  200    HZ3  TRP  34           HZ3      TRP  34  10.843  -3.229   2.100
  201    HH2  TRP  34           HH2      TRP  34  11.607  -2.214   0.015
  202    H    CYS  35           H        CYS  35   5.381  -3.907   4.455
  203    HA   CYS  35           HA       CYS  35   8.004  -4.154   5.761
  204    HB2  CYS  35           HB2      CYS  35   5.286  -5.247   6.372
  205    HB3  CYS  35           HB3      CYS  35   6.706  -6.139   6.909
  206    H    ASP  36           H        ASP  36   8.721  -6.532   5.960
  207    HA   ASP  36           HA       ASP  36   9.494  -7.501   3.515
  208    HB2  ASP  36           HB2      ASP  36   9.242  -8.724   6.223
  209    HB3  ASP  36           HB3      ASP  36   9.555  -9.795   4.859
  210    H    ALA  37           H        ALA  37   6.580  -8.310   5.335
  211    HA   ALA  37           HA       ALA  37   5.704 -10.126   3.224
  212    HB1  ALA  37           HB1      ALA  37   4.402 -11.125   4.760
  213    HB2  ALA  37           HB2      ALA  37   5.442 -10.290   5.913
  214    HB3  ALA  37           HB3      ALA  37   3.884  -9.595   5.468
  215    H    SER  38           H        SER  38   4.403  -9.497   1.638
  216    HA   SER  38           HA       SER  38   3.532  -6.861   1.305
  217    HB2  SER  38           HB2      SER  38   2.117  -7.800  -0.544
  218    HB3  SER  38           HB3      SER  38   3.809  -8.290  -0.617
  219    HG   SER  38           HG       SER  38   2.009  -9.923   0.765
  220    H    GLY  39           H        GLY  39   2.520  -6.434   3.381
  221    HA2  GLY  39           HA2      GLY  39  -0.225  -6.249   3.302
  222    HA3  GLY  39           HA3      GLY  39   0.103  -7.763   4.131
  223    H    ASP  40           H        ASP  40   2.663  -6.493   5.174
  224    HA   ASP  40           HA       ASP  40   1.427  -5.330   7.539
  225    HB2  ASP  40           HB2      ASP  40   4.047  -6.573   6.899
  226    HB3  ASP  40           HB3      ASP  40   4.040  -5.341   8.157
  227    H    ARG  41           H        ARG  41   1.505  -3.235   8.087
  228    HA   ARG  41           HA       ARG  41   2.791  -1.394   6.217
  229    HB2  ARG  41           HB2      ARG  41   1.441   0.163   8.042
  230    HB3  ARG  41           HB3      ARG  41   0.811  -0.375   6.490
  231    HG2  ARG  41           HG2      ARG  41  -0.329  -2.204   7.496
  232    HG3  ARG  41           HG3      ARG  41   0.472  -1.926   9.044
  233    HD2  ARG  41           HD2      ARG  41  -1.413  -0.810   9.549
  234    HD3  ARG  41           HD3      ARG  41  -0.671   0.491   8.620
  235    HE   ARG  41           HE       ARG  41  -2.922  -1.149   7.838
  236   HH11  ARG  41          HH11      ARG  41  -0.428   1.057   6.819
  237   HH12  ARG  41          HH12      ARG  41  -1.259   1.533   5.375
  238   HH21  ARG  41          HH21      ARG  41  -4.025  -0.530   5.940
  239   HH22  ARG  41          HH22      ARG  41  -3.305   0.631   4.877
  240    H    CYS  42           H        CYS  42   4.523  -0.192   6.714
  241    HA   CYS  42           HA       CYS  42   5.886  -0.686   9.204
  242    HB2  CYS  42           HB2      CYS  42   6.535   0.623   6.619
  243    HB3  CYS  42           HB3      CYS  42   7.421   1.184   8.034
  244    H    CYS  43           H        CYS  43   5.876   0.549  10.968
  245    HA   CYS  43           HA       CYS  43   4.374   3.054  10.899
  246    HB2  CYS  43           HB2      CYS  43   5.232   1.190  13.094
  247    HB3  CYS  43           HB3      CYS  43   4.716   2.832  13.464
  248    H    CYS  44           H        CYS  44   5.192   4.907  12.152
  249    HA   CYS  44           HA       CYS  44   8.120   5.043  12.290
  250    HB2  CYS  44           HB2      CYS  44   6.365   7.129  10.976
  251    HB3  CYS  44           HB3      CYS  44   8.106   7.247  11.207
  252    H    ALA  45           H        ALA  45   8.849   5.981  14.092
  253    HA   ALA  45           HA       ALA  45   6.964   6.934  16.047
  254    HB1  ALA  45           HB1      ALA  45   9.270   5.606  16.294
  255    HB2  ALA  45           HB2      ALA  45   9.865   7.250  16.526
  256    HB3  ALA  45           HB3      ALA  45   8.602   6.613  17.579
  Start of MODEL    5
    1    H    CYS   1           H        CYS   1   1.397  -0.351   0.468
    2    HA   CYS   1           HA       CYS   1   1.392   0.087  -2.445
    3    HB2  CYS   1           HB2      CYS   1   3.845   0.811  -2.056
    4    HB3  CYS   1           HB3      CYS   1   2.565   1.958  -1.676
    5    H    TYR   2           H        TYR   2   2.909  -1.158  -3.653
    6    HA   TYR   2           HA       TYR   2   3.329  -3.787  -2.519
    7    HB2  TYR   2           HB2      TYR   2   2.911  -2.732  -5.123
    8    HB3  TYR   2           HB3      TYR   2   4.473  -3.543  -5.129
    9    HD1  TYR   2           HD1      TYR   2   1.299  -4.350  -3.336
   10    HD2  TYR   2           HD2      TYR   2   4.190  -5.573  -6.208
   11    HE1  TYR   2           HE1      TYR   2   0.163  -6.521  -3.546
   12    HE2  TYR   2           HE2      TYR   2   3.062  -7.748  -6.426
   13    HH   TYR   2           HH       TYR   2   0.632  -8.784  -4.250
   14    HA   PRO   3           HA       PRO   3   7.600  -3.473  -1.565
   15    HB2  PRO   3           HB2      PRO   3   8.518  -5.922  -2.296
   16    HB3  PRO   3           HB3      PRO   3   7.498  -5.663  -0.876
   17    HG2  PRO   3           HG2      PRO   3   6.735  -6.624  -3.607
   18    HG3  PRO   3           HG3      PRO   3   6.209  -7.222  -2.023
   19    HD2  PRO   3           HD2      PRO   3   4.685  -5.574  -3.537
   20    HD3  PRO   3           HD3      PRO   3   4.656  -5.539  -1.762
   21    H    GLY   4           H        GLY   4   8.003  -1.842  -3.233
   22    HA2  GLY   4           HA2      GLY   4  10.094  -1.642  -4.621
   23    HA3  GLY   4           HA3      GLY   4   9.417  -2.951  -5.578
   24    H    GLN   5           H        GLN   5   7.049  -0.825  -4.439
   25    HA   GLN   5           HA       GLN   5   6.478   0.095  -7.092
   26    HB2  GLN   5           HB2      GLN   5   5.225   0.785  -4.430
   27    HB3  GLN   5           HB3      GLN   5   4.608   1.317  -5.988
   28    HG2  GLN   5           HG2      GLN   5   4.707  -1.314  -6.443
   29    HG3  GLN   5           HG3      GLN   5   4.474  -1.331  -4.696
   30   HE21  GLN   5          HE21      GLN   5   2.935  -1.303  -7.609
   31   HE22  GLN   5          HE22      GLN   5   1.385  -0.728  -7.107
   32    HA   PRO   6           HA       PRO   6   8.564   3.955  -7.138
   33    HB2  PRO   6           HB2      PRO   6   6.831   5.483  -8.565
   34    HB3  PRO   6           HB3      PRO   6   7.810   4.205  -9.294
   35    HG2  PRO   6           HG2      PRO   6   4.942   4.139  -8.439
   36    HG3  PRO   6           HG3      PRO   6   5.685   3.491  -9.913
   37    HD2  PRO   6           HD2      PRO   6   5.060   1.931  -7.789
   38    HD3  PRO   6           HD3      PRO   6   6.446   1.594  -8.845
   39    H    GLY   7           H        GLY   7   8.324   4.286  -4.809
   40    HA2  GLY   7           HA2      GLY   7   7.839   6.580  -3.766
   41    HA3  GLY   7           HA3      GLY   7   6.165   6.159  -4.094
   42    H    CYS   8           H        CYS   8   7.758   3.356  -3.370
   43    HA   CYS   8           HA       CYS   8   7.317   3.617  -0.478
   44    HB2  CYS   8           HB2      CYS   8   5.410   2.466  -1.890
   45    HB3  CYS   8           HB3      CYS   8   6.505   1.088  -1.853
   46    H    GLY   9           H        GLY   9   8.502   2.140   0.825
   47    HA2  GLY   9           HA2      GLY   9  10.338   0.277  -0.363
   48    HA3  GLY   9           HA3      GLY   9  11.130   1.744   0.193
   49    H    HIS  10           H        HIS  10  12.145  -0.220   1.430
   50    HA   HIS  10           HA       HIS  10  10.710  -1.297   3.626
   51    HB2  HIS  10           HB2      HIS  10  12.850  -2.132   4.393
   52    HB3  HIS  10           HB3      HIS  10  12.745  -2.338   2.647
   53    HD1  HIS  10           HD1      HIS  10  14.808  -0.847   5.271
   54    HD2  HIS  10           HD2      HIS  10  14.317  -0.390   1.171
   55    HE1  HIS  10           HE1      HIS  10  16.842   0.406   4.486
   56    H    CYS  11           H        CYS  11  10.113  -0.325   5.438
   57    HA   CYS  11           HA       CYS  11  10.805   2.334   6.068
   58    HB2  CYS  11           HB2      CYS  11   9.624   1.907   8.207
   59    HB3  CYS  11           HB3      CYS  11   8.696   1.385   6.804
   60    H    SER  12           H        SER  12  11.817   3.062   8.098
   61    HA   SER  12           HA       SER  12  13.758   1.253   9.288
   62    HB2  SER  12           HB2      SER  12  14.493   3.030   7.193
   63    HB3  SER  12           HB3      SER  12  15.180   3.663   8.689
   64    HG   SER  12           HG       SER  12  16.534   2.120   7.604
   65    H    ARG  13           H        ARG  13  14.524   1.934  11.299
   66    HA   ARG  13           HA       ARG  13  12.883   3.203  13.018
   67    HB2  ARG  13           HB2      ARG  13  15.882   3.032  12.985
   68    HB3  ARG  13           HB3      ARG  13  15.045   3.862  14.290
   69    HG2  ARG  13           HG2      ARG  13  13.694   1.486  14.146
   70    HG3  ARG  13           HG3      ARG  13  15.353   1.012  13.773
   71    HD2  ARG  13           HD2      ARG  13  15.867   2.583  15.845
   72    HD3  ARG  13           HD3      ARG  13  14.209   2.155  16.266
   73    HE   ARG  13           HE       ARG  13  15.586  -0.192  15.624
   74   HH11  ARG  13          HH11      ARG  13  15.585   2.294  18.062
   75   HH12  ARG  13          HH12      ARG  13  16.178   1.251  19.311
   76   HH21  ARG  13          HH21      ARG  13  16.367  -1.575  17.261
   77   HH22  ARG  13          HH22      ARG  13  16.624  -0.949  18.855
   78    HA   PRO  14           HA       PRO  14  12.851   4.512  14.861
   79    HB2  PRO  14           HB2      PRO  14  10.760   6.175  15.344
   80    HB3  PRO  14           HB3      PRO  14  12.422   6.560  15.810
   81    HG2  PRO  14           HG2      PRO  14  10.860   7.483  13.428
   82    HG3  PRO  14           HG3      PRO  14  11.930   8.413  14.493
   83    HD2  PRO  14           HD2      PRO  14  12.718   7.508  12.066
   84    HD3  PRO  14           HD3      PRO  14  13.837   7.669  13.435
   85    H    ASN  15           H        ASN  15  11.883   4.338  11.832
   86    HA   ASN  15           HA       ASN  15   9.124   3.550  12.194
   87    HB2  ASN  15           HB2      ASN  15  10.715   3.001   9.709
   88    HB3  ASN  15           HB3      ASN  15   9.002   3.374   9.868
   89   HD21  ASN  15          HD21      ASN  15  10.938   4.606   8.135
   90   HD22  ASN  15          HD22      ASN  15  10.985   6.282   8.552
   91    H    TYR  16           H        TYR  16   8.303   1.477  12.074
   92    HA   TYR  16           HA       TYR  16  10.178  -0.753  11.849
   93    HB2  TYR  16           HB2      TYR  16   9.485  -1.783  13.898
   94    HB3  TYR  16           HB3      TYR  16   9.961  -0.132  14.277
   95    HD1  TYR  16           HD1      TYR  16   8.105   1.614  14.508
   96    HD2  TYR  16           HD2      TYR  16   7.365  -2.576  14.496
   97    HE1  TYR  16           HE1      TYR  16   5.925   2.002  15.579
   98    HE2  TYR  16           HE2      TYR  16   5.183  -2.199  15.565
   99    HH   TYR  16           HH       TYR  16   3.836  -0.702  16.524
  100    H    CYS  17           H        CYS  17   8.597  -2.848  12.411
  101    HA   CYS  17           HA       CYS  17   6.621  -2.716  10.271
  102    HB2  CYS  17           HB2      CYS  17   8.203  -4.850  11.572
  103    HB3  CYS  17           HB3      CYS  17   6.580  -5.308  11.065
  104    H    GLU  18           H        GLU  18   4.466  -2.888  10.552
  105    HA   GLU  18           HA       GLU  18   3.397  -3.721  13.132
  106    HB2  GLU  18           HB2      GLU  18   3.790  -1.178  13.082
  107    HB3  GLU  18           HB3      GLU  18   2.462  -1.125  11.932
  108    HG2  GLU  18           HG2      GLU  18   2.090  -0.801  14.525
  109    HG3  GLU  18           HG3      GLU  18   0.896  -1.594  13.499
  110    H    GLY  19           H        GLY  19   2.203  -5.389  12.415
  111    HA2  GLY  19           HA2      GLY  19   0.637  -5.110   9.966
  112    HA3  GLY  19           HA3      GLY  19   0.885  -6.591  10.879
  113    H    ALA  20           H        ALA  20   0.116  -4.146  12.999
  114    HA   ALA  20           HA       ALA  20  -2.763  -4.756  12.851
  115    HB1  ALA  20           HB1      ALA  20  -2.719  -4.605  15.389
  116    HB2  ALA  20           HB2      ALA  20  -2.012  -6.049  14.665
  117    HB3  ALA  20           HB3      ALA  20  -0.967  -4.759  15.260
  118    H    ARG  21           H        ARG  21  -0.751  -2.671  14.921
  119    HA   ARG  21           HA       ARG  21  -1.685  -0.258  13.699
  120    HB2  ARG  21           HB2      ARG  21  -3.325  -1.399  15.703
  121    HB3  ARG  21           HB3      ARG  21  -2.530  -0.008  16.427
  122    HG2  ARG  21           HG2      ARG  21  -3.389   1.445  14.725
  123    HG3  ARG  21           HG3      ARG  21  -4.047   0.073  13.830
  124    HD2  ARG  21           HD2      ARG  21  -5.950   0.394  14.939
  125    HD3  ARG  21           HD3      ARG  21  -5.115  -0.186  16.379
  126    HE   ARG  21           HE       ARG  21  -5.322   1.921  17.202
  127   HH11  ARG  21          HH11      ARG  21  -5.188   2.123  13.729
  128   HH12  ARG  21          HH12      ARG  21  -5.355   3.847  13.692
  129   HH21  ARG  21          HH21      ARG  21  -5.542   4.191  17.167
  130   HH22  ARG  21          HH22      ARG  21  -5.555   5.022  15.649
  131    H    CYS  22           H        CYS  22  -0.502   1.528  14.327
  132    HA   CYS  22           HA       CYS  22   2.054   1.127  15.342
  133    HB2  CYS  22           HB2      CYS  22   0.495   3.720  15.372
  134    HB3  CYS  22           HB3      CYS  22   2.247   3.551  15.426
  135    H    GLU  23           H        GLU  23   3.016   1.413  17.322
  136    HA   GLU  23           HA       GLU  23   1.392   0.961  19.616
  137    HB2  GLU  23           HB2      GLU  23   4.334   1.575  19.316
  138    HB3  GLU  23           HB3      GLU  23   3.571   1.208  20.857
  139    HG2  GLU  23           HG2      GLU  23   2.748  -0.887  19.332
  140    HG3  GLU  23           HG3      GLU  23   4.350  -0.568  18.669
  141    H    SER  24           H        SER  24   1.600   2.299  21.622
  142    HA   SER  24           HA       SER  24   0.570   4.853  21.224
  143    HB2  SER  24           HB2      SER  24   1.519   3.281  23.526
  144    HB3  SER  24           HB3      SER  24   1.608   5.028  23.750
  145    HG   SER  24           HG       SER  24  -0.421   4.182  24.387
  146    H    GLY  25           H        GLY  25   1.845   6.064  19.829
  147    HA2  GLY  25           HA2      GLY  25   3.398   8.025  20.451
  148    HA3  GLY  25           HA3      GLY  25   4.555   6.739  20.762
  149    H    PHE  26           H        PHE  26   3.359   5.191  18.461
  150    HA   PHE  26           HA       PHE  26   4.970   6.483  16.396
  151    HB2  PHE  26           HB2      PHE  26   3.794   3.704  16.590
  152    HB3  PHE  26           HB3      PHE  26   4.711   4.291  15.206
  153    HD1  PHE  26           HD1      PHE  26   4.934   3.635  18.844
  154    HD2  PHE  26           HD2      PHE  26   7.045   4.216  15.194
  155    HE1  PHE  26           HE1      PHE  26   7.025   2.958  19.950
  156    HE2  PHE  26           HE2      PHE  26   9.139   3.539  16.294
  157    HZ   PHE  26           HZ       PHE  26   9.132   2.909  18.675
  158    H    HIS  27           H        HIS  27   4.161   6.390  14.131
  159    HA   HIS  27           HA       HIS  27   1.243   6.753  13.995
  160    HB2  HIS  27           HB2      HIS  27   1.882   8.495  12.149
  161    HB3  HIS  27           HB3      HIS  27   1.926   8.963  13.846
  162    HD1  HIS  27           HD1      HIS  27   4.150   9.684  14.795
  163    HD2  HIS  27           HD2      HIS  27   4.467   8.071  10.979
  164    HE1  HIS  27           HE1      HIS  27   6.513  10.142  14.066
  165    H    ASP  28           H        ASP  28   0.221   5.986  12.184
  166    HA   ASP  28           HA       ASP  28   1.469   3.893  10.761
  167    HB2  ASP  28           HB2      ASP  28  -0.848   3.667  10.989
  168    HB3  ASP  28           HB3      ASP  28  -1.155   5.327  10.488
  169    H    CYS  29           H        CYS  29   2.944   4.098   9.223
  170    HA   CYS  29           HA       CYS  29   2.649   6.288   7.276
  171    HB2  CYS  29           HB2      CYS  29   5.145   6.351   7.140
  172    HB3  CYS  29           HB3      CYS  29   4.505   6.868   8.696
  173    H    GLY  30           H        GLY  30   1.895   3.362   7.325
  174    HA2  GLY  30           HA2      GLY  30   3.567   1.850   5.678
  175    HA3  GLY  30           HA3      GLY  30   1.829   1.631   5.822
  176    H    SER  31           H        SER  31   1.921   4.674   4.896
  177    HA   SER  31           HA       SER  31   0.920   4.366   2.376
  178    HB2  SER  31           HB2      SER  31   2.205   6.590   3.837
  179    HB3  SER  31           HB3      SER  31   2.176   6.758   2.081
  180    HG   SER  31           HG       SER  31  -0.020   6.673   2.105
  181    H    ASP  32           H        ASP  32   4.257   5.498   2.930
  182    HA   ASP  32           HA       ASP  32   5.010   4.228   0.385
  183    HB2  ASP  32           HB2      ASP  32   7.046   5.813   0.636
  184    HB3  ASP  32           HB3      ASP  32   5.497   6.501   0.155
  185    H    HIS  33           H        HIS  33   4.823   2.904   3.011
  186    HA   HIS  33           HA       HIS  33   7.486   1.731   3.003
  187    HB2  HIS  33           HB2      HIS  33   6.226   2.672   5.584
  188    HB3  HIS  33           HB3      HIS  33   7.803   1.914   5.390
  189    HD1  HIS  33           HD1      HIS  33   6.501   5.068   6.066
  190    HD2  HIS  33           HD2      HIS  33   9.357   3.709   3.373
  191    HE1  HIS  33           HE1      HIS  33   7.882   7.085   5.477
  192    H    TRP  34           H        TRP  34   7.249  -0.394   2.893
  193    HA   TRP  34           HA       TRP  34   4.859  -1.605   4.124
  194    HB2  TRP  34           HB2      TRP  34   5.463  -3.452   2.300
  195    HB3  TRP  34           HB3      TRP  34   4.443  -2.067   1.921
  196    HD1  TRP  34           HD1      TRP  34   5.099  -0.911  -0.255
  197    HE1  TRP  34           HE1      TRP  34   7.259  -0.626  -1.625
  198    HE3  TRP  34           HE3      TRP  34   8.346  -3.380   2.826
  199    HZ2  TRP  34           HZ2      TRP  34   9.979  -1.353  -1.427
  200    HZ3  TRP  34           HZ3      TRP  34  10.710  -3.541   2.162
  201    HH2  TRP  34           HH2      TRP  34  11.508  -2.549   0.079
  202    H    CYS  35           H        CYS  35   5.182  -3.993   4.598
  203    HA   CYS  35           HA       CYS  35   7.792  -4.320   5.906
  204    HB2  CYS  35           HB2      CYS  35   5.033  -5.308   6.509
  205    HB3  CYS  35           HB3      CYS  35   6.415  -6.243   7.070
  206    H    ASP  36           H        ASP  36   8.524  -6.651   6.099
  207    HA   ASP  36           HA       ASP  36   9.235  -7.698   3.682
  208    HB2  ASP  36           HB2      ASP  36   8.989  -8.861   6.416
  209    HB3  ASP  36           HB3      ASP  36   9.268  -9.966   5.073
  210    H    ALA  37           H        ALA  37   6.322  -8.416   5.538
  211    HA   ALA  37           HA       ALA  37   5.400 -10.267   3.477
  212    HB1  ALA  37           HB1      ALA  37   5.162 -10.394   6.155
  213    HB2  ALA  37           HB2      ALA  37   3.628  -9.626   5.743
  214    HB3  ALA  37           HB3      ALA  37   4.052 -11.185   5.035
  215    H    SER  38           H        SER  38   4.156  -9.618   1.858
  216    HA   SER  38           HA       SER  38   3.308  -6.983   1.487
  217    HB2  SER  38           HB2      SER  38   1.851  -7.973  -0.337
  218    HB3  SER  38           HB3      SER  38   3.564  -8.382  -0.433
  219    HG   SER  38           HG       SER  38   1.381  -9.992   0.292
  220    H    GLY  39           H        GLY  39   2.291  -6.528   3.560
  221    HA2  GLY  39           HA2      GLY  39  -0.459  -6.323   3.448
  222    HA3  GLY  39           HA3      GLY  39  -0.139  -7.814   4.322
  223    H    ASP  40           H        ASP  40   2.413  -6.542   5.356
  224    HA   ASP  40           HA       ASP  40   1.168  -5.297   7.672
  225    HB2  ASP  40           HB2      ASP  40   3.778  -6.586   7.091
  226    HB3  ASP  40           HB3      ASP  40   3.782  -5.310   8.305
  227    H    ARG  41           H        ARG  41   1.259  -3.189   8.162
  228    HA   ARG  41           HA       ARG  41   2.565  -1.410   6.248
  229    HB2  ARG  41           HB2      ARG  41   1.236   0.222   8.001
  230    HB3  ARG  41           HB3      ARG  41   0.575  -0.395   6.493
  231    HG2  ARG  41           HG2      ARG  41  -0.541  -2.174   7.625
  232    HG3  ARG  41           HG3      ARG  41   0.275  -1.788   9.141
  233    HD2  ARG  41           HD2      ARG  41  -1.570  -0.610   9.612
  234    HD3  ARG  41           HD3      ARG  41  -0.900   0.592   8.509
  235    HE   ARG  41           HE       ARG  41  -3.146  -1.168   8.022
  236   HH11  ARG  41          HH11      ARG  41  -0.761   0.968   6.654
  237   HH12  ARG  41          HH12      ARG  41  -1.670   1.270   5.210
  238   HH21  ARG  41          HH21      ARG  41  -4.352  -0.778   6.125
  239   HH22  ARG  41          HH22      ARG  41  -3.712   0.277   4.911
  240    H    CYS  42           H        CYS  42   4.257  -0.128   6.729
  241    HA   CYS  42           HA       CYS  42   5.668  -0.612   9.194
  242    HB2  CYS  42           HB2      CYS  42   6.253   0.915   6.678
  243    HB3  CYS  42           HB3      CYS  42   7.248   1.165   8.109
  244    H    CYS  43           H        CYS  43   5.655   0.607  10.969
  245    HA   CYS  43           HA       CYS  43   4.199   3.155  10.883
  246    HB2  CYS  43           HB2      CYS  43   4.721   1.140  13.043
  247    HB3  CYS  43           HB3      CYS  43   4.328   2.802  13.470
  248    H    CYS  44           H        CYS  44   5.133   5.051  11.441
  249    HA   CYS  44           HA       CYS  44   7.998   4.968  12.119
  250    HB2  CYS  44           HB2      CYS  44   6.492   7.224  10.783
  251    HB3  CYS  44           HB3      CYS  44   8.233   7.106  11.013
  252    H    ALA  45           H        ALA  45   8.714   5.974  13.910
  253    HA   ALA  45           HA       ALA  45   6.775   6.916  15.815
  254    HB1  ALA  45           HB1      ALA  45   9.081   5.612  16.127
  255    HB2  ALA  45           HB2      ALA  45   9.665   7.262  16.350
  256    HB3  ALA  45           HB3      ALA  45   8.385   6.632  17.386
  Start of MODEL    6
    1    H    CYS   1           H        CYS   1   1.439   0.705   0.455
    2    HA   CYS   1           HA       CYS   1   1.474   0.098  -2.317
    3    HB2  CYS   1           HB2      CYS   1   3.963   0.773  -2.038
    4    HB3  CYS   1           HB3      CYS   1   2.721   1.988  -1.754
    5    H    TYR   2           H        TYR   2   2.888  -1.303  -3.457
    6    HA   TYR   2           HA       TYR   2   3.302  -3.825  -2.097
    7    HB2  TYR   2           HB2      TYR   2   2.788  -3.004  -4.774
    8    HB3  TYR   2           HB3      TYR   2   4.313  -3.883  -4.765
    9    HD1  TYR   2           HD1      TYR   2   1.353  -4.448  -2.590
   10    HD2  TYR   2           HD2      TYR   2   3.738  -5.909  -5.796
   11    HE1  TYR   2           HE1      TYR   2   0.120  -6.575  -2.530
   12    HE2  TYR   2           HE2      TYR   2   2.511  -8.040  -5.745
   13    HH   TYR   2           HH       TYR   2   0.046  -8.683  -3.290
   14    HA   PRO   3           HA       PRO   3   7.625  -3.552  -1.403
   15    HB2  PRO   3           HB2      PRO   3   8.452  -6.074  -1.972
   16    HB3  PRO   3           HB3      PRO   3   7.515  -5.673  -0.528
   17    HG2  PRO   3           HG2      PRO   3   6.588  -6.837  -3.126
   18    HG3  PRO   3           HG3      PRO   3   6.135  -7.289  -1.472
   19    HD2  PRO   3           HD2      PRO   3   4.566  -5.734  -3.039
   20    HD3  PRO   3           HD3      PRO   3   4.633  -5.552  -1.274
   21    H    GLY   4           H        GLY   4   7.877  -2.076  -3.278
   22    HA2  GLY   4           HA2      GLY   4   9.971  -2.145  -4.768
   23    HA3  GLY   4           HA3      GLY   4   9.074  -3.390  -5.626
   24    H    GLN   5           H        GLN   5   6.856  -1.229  -4.498
   25    HA   GLN   5           HA       GLN   5   6.387  -0.158  -7.114
   26    HB2  GLN   5           HB2      GLN   5   5.056   0.451  -4.469
   27    HB3  GLN   5           HB3      GLN   5   4.484   1.004  -6.037
   28    HG2  GLN   5           HG2      GLN   5   4.462  -1.520  -6.631
   29    HG3  GLN   5           HG3      GLN   5   4.472  -1.746  -4.883
   30   HE21  GLN   5          HE21      GLN   5   2.474  -1.923  -7.292
   31   HE22  GLN   5          HE22      GLN   5   1.029  -1.259  -6.616
   32    HA   PRO   6           HA       PRO   6   8.525   3.667  -6.883
   33    HB2  PRO   6           HB2      PRO   6   6.859   5.298  -8.274
   34    HB3  PRO   6           HB3      PRO   6   7.842   4.046  -9.043
   35    HG2  PRO   6           HG2      PRO   6   4.948   3.979  -8.280
   36    HG3  PRO   6           HG3      PRO   6   5.727   3.401  -9.764
   37    HD2  PRO   6           HD2      PRO   6   5.014   1.737  -7.750
   38    HD3  PRO   6           HD3      PRO   6   6.428   1.437  -8.781
   39    H    GLY   7           H        GLY   7   8.717   4.806  -5.058
   40    HA2  GLY   7           HA2      GLY   7   8.063   6.727  -3.784
   41    HA3  GLY   7           HA3      GLY   7   6.384   6.337  -4.125
   42    H    CYS   8           H        CYS   8   7.931   3.504  -3.411
   43    HA   CYS   8           HA       CYS   8   7.464   3.750  -0.521
   44    HB2  CYS   8           HB2      CYS   8   5.540   2.654  -1.902
   45    HB3  CYS   8           HB3      CYS   8   6.622   1.268  -1.982
   46    H    GLY   9           H        GLY   9   8.561   2.157   0.772
   47    HA2  GLY   9           HA2      GLY   9  10.407   0.315  -0.403
   48    HA3  GLY   9           HA3      GLY   9  11.216   1.767   0.168
   49    H    HIS  10           H        HIS  10  12.188  -0.220   1.402
   50    HA   HIS  10           HA       HIS  10  10.714  -1.279   3.584
   51    HB2  HIS  10           HB2      HIS  10  13.072  -1.851   4.442
   52    HB3  HIS  10           HB3      HIS  10  12.559  -2.570   2.919
   53    HD1  HIS  10           HD1      HIS  10  13.788  -1.836   0.789
   54    HD2  HIS  10           HD2      HIS  10  15.119   0.071   4.232
   55    HE1  HIS  10           HE1      HIS  10  15.925  -0.681   0.135
   56    H    CYS  11           H        CYS  11  10.133  -0.304   5.399
   57    HA   CYS  11           HA       CYS  11  10.875   2.336   6.045
   58    HB2  CYS  11           HB2      CYS  11   9.564   2.061   8.032
   59    HB3  CYS  11           HB3      CYS  11   8.749   1.188   6.738
   60    H    SER  12           H        SER  12  11.826   2.983   8.176
   61    HA   SER  12           HA       SER  12  13.739   1.155   9.346
   62    HB2  SER  12           HB2      SER  12  15.228   1.799   7.683
   63    HB3  SER  12           HB3      SER  12  14.553   3.424   7.565
   64    HG   SER  12           HG       SER  12  16.015   2.448   9.793
   65    H    ARG  13           H        ARG  13  14.562   1.866  11.337
   66    HA   ARG  13           HA       ARG  13  12.946   3.198  13.041
   67    HB2  ARG  13           HB2      ARG  13  15.969   3.233  13.089
   68    HB3  ARG  13           HB3      ARG  13  14.936   3.648  14.450
   69    HG2  ARG  13           HG2      ARG  13  14.047   1.145  13.636
   70    HG3  ARG  13           HG3      ARG  13  15.806   1.063  13.516
   71    HD2  ARG  13           HD2      ARG  13  16.098   1.558  15.783
   72    HD3  ARG  13           HD3      ARG  13  14.458   2.185  15.948
   73    HE   ARG  13           HE       ARG  13  14.006  -0.382  15.339
   74   HH11  ARG  13          HH11      ARG  13  16.138   1.108  17.652
   75   HH12  ARG  13          HH12      ARG  13  16.061  -0.213  18.770
   76   HH21  ARG  13          HH21      ARG  13  13.897  -2.129  16.802
   77   HH22  ARG  13          HH22      ARG  13  14.787  -2.055  18.284
   78    HA   PRO  14           HA       PRO  14  12.959   4.539  14.865
   79    HB2  PRO  14           HB2      PRO  14  10.916   6.265  15.329
   80    HB3  PRO  14           HB3      PRO  14  12.589   6.613  15.782
   81    HG2  PRO  14           HG2      PRO  14  11.043   7.538  13.392
   82    HG3  PRO  14           HG3      PRO  14  12.142   8.456  14.437
   83    HD2  PRO  14           HD2      PRO  14  12.895   7.491  12.022
   84    HD3  PRO  14           HD3      PRO  14  14.024   7.644  13.384
   85    H    ASN  15           H        ASN  15  11.966   4.354  11.840
   86    HA   ASN  15           HA       ASN  15   9.192   3.634  12.236
   87    HB2  ASN  15           HB2      ASN  15  10.739   3.028   9.736
   88    HB3  ASN  15           HB3      ASN  15   9.039   3.453   9.914
   89   HD21  ASN  15          HD21      ASN  15  11.070   4.602   8.181
   90   HD22  ASN  15          HD22      ASN  15  11.142   6.284   8.572
   91    H    TYR  16           H        TYR  16   8.322   1.573  12.088
   92    HA   TYR  16           HA       TYR  16  10.155  -0.694  11.894
   93    HB2  TYR  16           HB2      TYR  16   9.378  -1.712  13.935
   94    HB3  TYR  16           HB3      TYR  16   9.957  -0.093  14.310
   95    HD1  TYR  16           HD1      TYR  16   8.222   1.764  14.555
   96    HD2  TYR  16           HD2      TYR  16   7.204  -2.367  14.517
   97    HE1  TYR  16           HE1      TYR  16   6.070   2.290  15.623
   98    HE2  TYR  16           HE2      TYR  16   5.049  -1.852  15.584
   99    HH   TYR  16           HH       TYR  16   3.952   1.428  16.020
  100    H    CYS  17           H        CYS  17   8.627  -2.786  12.315
  101    HA   CYS  17           HA       CYS  17   6.651  -2.616  10.196
  102    HB2  CYS  17           HB2      CYS  17   8.157  -4.776  11.548
  103    HB3  CYS  17           HB3      CYS  17   6.542  -5.200  10.988
  104    H    GLU  18           H        GLU  18   4.485  -2.786  10.428
  105    HA   GLU  18           HA       GLU  18   3.358  -3.550  13.006
  106    HB2  GLU  18           HB2      GLU  18   3.759  -1.018  12.917
  107    HB3  GLU  18           HB3      GLU  18   2.479  -0.977  11.712
  108    HG2  GLU  18           HG2      GLU  18   2.011  -0.598  14.285
  109    HG3  GLU  18           HG3      GLU  18   0.846  -1.385  13.222
  110    H    GLY  19           H        GLY  19   2.213  -5.253  12.274
  111    HA2  GLY  19           HA2      GLY  19   0.678  -5.020   9.802
  112    HA3  GLY  19           HA3      GLY  19   0.916  -6.483  10.747
  113    H    ALA  20           H        ALA  20   0.094  -3.968  12.781
  114    HA   ALA  20           HA       ALA  20  -2.785  -4.526  12.560
  115    HB1  ALA  20           HB1      ALA  20  -2.903  -4.615  15.043
  116    HB2  ALA  20           HB2      ALA  20  -2.007  -5.952  14.322
  117    HB3  ALA  20           HB3      ALA  20  -1.140  -4.618  15.083
  118    H    ARG  21           H        ARG  21  -0.857  -2.661  14.888
  119    HA   ARG  21           HA       ARG  21  -1.657  -0.141  13.744
  120    HB2  ARG  21           HB2      ARG  21  -3.342  -1.343  15.676
  121    HB3  ARG  21           HB3      ARG  21  -2.509  -0.019  16.480
  122    HG2  ARG  21           HG2      ARG  21  -3.718   1.518  15.421
  123    HG3  ARG  21           HG3      ARG  21  -3.503   0.728  13.857
  124    HD2  ARG  21           HD2      ARG  21  -5.758   0.478  14.107
  125    HD3  ARG  21           HD3      ARG  21  -5.207  -1.002  14.891
  126    HE   ARG  21           HE       ARG  21  -5.362   0.982  16.841
  127   HH11  ARG  21          HH11      ARG  21  -7.486  -0.779  14.718
  128   HH12  ARG  21          HH12      ARG  21  -8.847  -0.682  15.786
  129   HH21  ARG  21          HH21      ARG  21  -7.146   1.116  18.256
  130   HH22  ARG  21          HH22      ARG  21  -8.653   0.397  17.798
  131    H    CYS  22           H        CYS  22  -0.433   1.575  14.484
  132    HA   CYS  22           HA       CYS  22   2.080   0.959  15.610
  133    HB2  CYS  22           HB2      CYS  22   0.824   3.701  15.438
  134    HB3  CYS  22           HB3      CYS  22   2.540   3.313  15.488
  135    H    GLU  23           H        GLU  23   3.004   1.860  17.581
  136    HA   GLU  23           HA       GLU  23   1.301   1.377  19.834
  137    HB2  GLU  23           HB2      GLU  23   4.090   2.517  19.923
  138    HB3  GLU  23           HB3      GLU  23   3.256   1.599  21.169
  139    HG2  GLU  23           HG2      GLU  23   3.409   0.064  18.752
  140    HG3  GLU  23           HG3      GLU  23   5.010   0.638  19.217
  141    H    SER  24           H        SER  24   1.466   2.962  21.753
  142    HA   SER  24           HA       SER  24   0.223   5.394  20.946
  143    HB2  SER  24           HB2      SER  24   0.781   3.999  23.472
  144    HB3  SER  24           HB3      SER  24   0.802   5.757  23.604
  145    HG   SER  24           HG       SER  24  -1.303   4.051  23.189
  146    H    GLY  25           H        GLY  25   2.803   5.216  19.829
  147    HA2  GLY  25           HA2      GLY  25   3.860   7.758  20.684
  148    HA3  GLY  25           HA3      GLY  25   4.923   6.405  21.044
  149    H    PHE  26           H        PHE  26   3.065   5.832  18.293
  150    HA   PHE  26           HA       PHE  26   5.124   6.925  16.508
  151    HB2  PHE  26           HB2      PHE  26   4.064   4.093  16.463
  152    HB3  PHE  26           HB3      PHE  26   5.067   4.803  15.202
  153    HD1  PHE  26           HD1      PHE  26   5.123   4.466  18.921
  154    HD2  PHE  26           HD2      PHE  26   7.287   4.261  15.261
  155    HE1  PHE  26           HE1      PHE  26   7.142   3.794  20.156
  156    HE2  PHE  26           HE2      PHE  26   9.309   3.588  16.491
  157    HZ   PHE  26           HZ       PHE  26   9.238   3.353  18.941
  158    H    HIS  27           H        HIS  27   4.330   6.412  14.110
  159    HA   HIS  27           HA       HIS  27   1.442   6.878  13.913
  160    HB2  HIS  27           HB2      HIS  27   2.157   8.583  12.027
  161    HB3  HIS  27           HB3      HIS  27   2.045   9.092  13.709
  162    HD1  HIS  27           HD1      HIS  27   4.203   9.775  14.880
  163    HD2  HIS  27           HD2      HIS  27   4.798   8.350  11.023
  164    HE1  HIS  27           HE1      HIS  27   6.593  10.326  14.321
  165    H    ASP  28           H        ASP  28   0.516   5.713  12.353
  166    HA   ASP  28           HA       ASP  28   1.903   3.782  10.894
  167    HB2  ASP  28           HB2      ASP  28  -0.386   3.370  11.226
  168    HB3  ASP  28           HB3      ASP  28  -0.851   4.961  10.627
  169    H    CYS  29           H        CYS  29   3.304   4.070   9.302
  170    HA   CYS  29           HA       CYS  29   2.817   6.248   7.377
  171    HB2  CYS  29           HB2      CYS  29   5.348   6.136   7.019
  172    HB3  CYS  29           HB3      CYS  29   4.787   6.850   8.528
  173    H    GLY  30           H        GLY  30   1.993   3.355   7.398
  174    HA2  GLY  30           HA2      GLY  30   3.469   1.793   5.646
  175    HA3  GLY  30           HA3      GLY  30   1.722   1.708   5.821
  176    H    SER  31           H        SER  31   1.940   4.736   4.974
  177    HA   SER  31           HA       SER  31   0.913   4.560   2.460
  178    HB2  SER  31           HB2      SER  31   1.778   6.634   4.112
  179    HB3  SER  31           HB3      SER  31   2.698   6.850   2.623
  180    HG   SER  31           HG       SER  31   0.811   7.009   1.484
  181    H    ASP  32           H        ASP  32   4.286   5.603   2.932
  182    HA   ASP  32           HA       ASP  32   4.954   4.271   0.393
  183    HB2  ASP  32           HB2      ASP  32   7.040   5.855   0.644
  184    HB3  ASP  32           HB3      ASP  32   5.512   6.484   0.033
  185    H    HIS  33           H        HIS  33   4.819   2.946   2.986
  186    HA   HIS  33           HA       HIS  33   7.495   1.804   2.968
  187    HB2  HIS  33           HB2      HIS  33   6.221   2.777   5.533
  188    HB3  HIS  33           HB3      HIS  33   7.768   1.949   5.385
  189    HD1  HIS  33           HD1      HIS  33   6.595   5.164   5.996
  190    HD2  HIS  33           HD2      HIS  33   9.439   3.648   3.374
  191    HE1  HIS  33           HE1      HIS  33   8.075   7.111   5.410
  192    H    TRP  34           H        TRP  34   7.270  -0.320   2.832
  193    HA   TRP  34           HA       TRP  34   4.898  -1.563   4.065
  194    HB2  TRP  34           HB2      TRP  34   5.507  -3.395   2.237
  195    HB3  TRP  34           HB3      TRP  34   4.493  -2.007   1.853
  196    HD1  TRP  34           HD1      TRP  34   5.166  -0.846  -0.314
  197    HE1  TRP  34           HE1      TRP  34   7.335  -0.567  -1.672
  198    HE3  TRP  34           HE3      TRP  34   8.386  -3.337   2.778
  199    HZ2  TRP  34           HZ2      TRP  34  10.051  -1.306  -1.460
  200    HZ3  TRP  34           HZ3      TRP  34  10.753  -3.507   2.127
  201    HH2  TRP  34           HH2      TRP  34  11.566  -2.512   0.051
  202    H    CYS  35           H        CYS  35   5.255  -3.965   4.499
  203    HA   CYS  35           HA       CYS  35   7.874  -4.271   5.800
  204    HB2  CYS  35           HB2      CYS  35   5.128  -5.281   6.439
  205    HB3  CYS  35           HB3      CYS  35   6.532  -6.178   7.008
  206    H    ASP  36           H        ASP  36   8.549  -6.644   6.027
  207    HA   ASP  36           HA       ASP  36   9.282  -7.696   3.621
  208    HB2  ASP  36           HB2      ASP  36   8.944  -8.873   6.340
  209    HB3  ASP  36           HB3      ASP  36   9.233  -9.972   4.994
  210    H    ALA  37           H        ALA  37   6.313  -8.353   5.411
  211    HA   ALA  37           HA       ALA  37   5.389 -10.168   3.319
  212    HB1  ALA  37           HB1      ALA  37   4.096 -11.111   4.879
  213    HB2  ALA  37           HB2      ALA  37   5.050 -10.185   6.038
  214    HB3  ALA  37           HB3      ALA  37   3.508  -9.554   5.463
  215    H    SER  38           H        SER  38   4.224  -9.463   1.666
  216    HA   SER  38           HA       SER  38   3.444  -6.810   1.299
  217    HB2  SER  38           HB2      SER  38   2.022  -9.069  -0.082
  218    HB3  SER  38           HB3      SER  38   2.498  -7.499  -0.728
  219    HG   SER  38           HG       SER  38   4.727  -8.292  -0.381
  220    H    GLY  39           H        GLY  39   2.382  -6.348   3.347
  221    HA2  GLY  39           HA2      GLY  39  -0.351  -6.057   3.171
  222    HA3  GLY  39           HA3      GLY  39  -0.108  -7.580   4.015
  223    H    ASP  40           H        ASP  40   2.458  -6.412   5.148
  224    HA   ASP  40           HA       ASP  40   1.191  -5.205   7.471
  225    HB2  ASP  40           HB2      ASP  40   3.796  -6.512   6.900
  226    HB3  ASP  40           HB3      ASP  40   3.786  -5.280   8.159
  227    H    ARG  41           H        ARG  41   1.280  -3.110   7.999
  228    HA   ARG  41           HA       ARG  41   2.667  -1.301   6.175
  229    HB2  ARG  41           HB2      ARG  41   1.306   0.286   7.965
  230    HB3  ARG  41           HB3      ARG  41   0.706  -0.236   6.396
  231    HG2  ARG  41           HG2      ARG  41  -0.524  -2.017   7.357
  232    HG3  ARG  41           HG3      ARG  41   0.269  -1.807   8.919
  233    HD2  ARG  41           HD2      ARG  41  -1.640  -0.683   9.388
  234    HD3  ARG  41           HD3      ARG  41  -0.760   0.643   8.630
  235    HE   ARG  41           HE       ARG  41  -3.050  -0.765   7.568
  236   HH11  ARG  41          HH11      ARG  41  -0.346   1.321   6.888
  237   HH12  ARG  41          HH12      ARG  41  -1.041   1.965   5.438
  238   HH21  ARG  41          HH21      ARG  41  -3.975   0.076   5.660
  239   HH22  ARG  41          HH22      ARG  41  -3.105   1.257   4.740
  240    H    CYS  42           H        CYS  42   4.435  -0.180   6.708
  241    HA   CYS  42           HA       CYS  42   5.697  -0.681   9.250
  242    HB2  CYS  42           HB2      CYS  42   6.480   0.555   6.667
  243    HB3  CYS  42           HB3      CYS  42   7.341   1.107   8.100
  244    H    CYS  43           H        CYS  43   5.784   0.625  10.974
  245    HA   CYS  43           HA       CYS  43   4.321   3.153  10.839
  246    HB2  CYS  43           HB2      CYS  43   5.197   1.391  13.123
  247    HB3  CYS  43           HB3      CYS  43   4.581   3.020  13.386
  248    H    CYS  44           H        CYS  44   5.178   5.024  12.036
  249    HA   CYS  44           HA       CYS  44   8.108   5.102  12.176
  250    HB2  CYS  44           HB2      CYS  44   6.396   7.164  10.771
  251    HB3  CYS  44           HB3      CYS  44   8.134   7.279  11.026
  252    H    ALA  45           H        ALA  45   8.846   6.075  13.954
  253    HA   ALA  45           HA       ALA  45   6.974   7.146  15.860
  254    HB1  ALA  45           HB1      ALA  45   9.245   5.766  16.166
  255    HB2  ALA  45           HB2      ALA  45   9.876   7.402  16.357
  256    HB3  ALA  45           HB3      ALA  45   8.588   6.825  17.414
  Start of MODEL    7
    1    H    CYS   1           H        CYS   1   1.720   0.179   0.744
    2    HA   CYS   1           HA       CYS   1   1.464   0.274  -2.169
    3    HB2  CYS   1           HB2      CYS   1   3.979   0.871  -1.950
    4    HB3  CYS   1           HB3      CYS   1   2.781   2.068  -1.469
    5    H    TYR   2           H        TYR   2   2.958  -0.940  -3.506
    6    HA   TYR   2           HA       TYR   2   3.258  -3.650  -2.533
    7    HB2  TYR   2           HB2      TYR   2   2.814  -2.447  -5.052
    8    HB3  TYR   2           HB3      TYR   2   4.365  -3.273  -5.157
    9    HD1  TYR   2           HD1      TYR   2   1.272  -4.188  -3.282
   10    HD2  TYR   2           HD2      TYR   2   3.988  -5.199  -6.398
   11    HE1  TYR   2           HE1      TYR   2   0.105  -6.330  -3.596
   12    HE2  TYR   2           HE2      TYR   2   2.827  -7.344  -6.721
   13    HH   TYR   2           HH       TYR   2   0.008  -8.224  -4.742
   14    HA   PRO   3           HA       PRO   3   7.549  -3.565  -1.613
   15    HB2  PRO   3           HB2      PRO   3   8.307  -6.057  -2.380
   16    HB3  PRO   3           HB3      PRO   3   7.327  -5.751  -0.940
   17    HG2  PRO   3           HG2      PRO   3   6.464  -6.640  -3.666
   18    HG3  PRO   3           HG3      PRO   3   5.929  -7.220  -2.078
   19    HD2  PRO   3           HD2      PRO   3   4.482  -5.471  -3.553
   20    HD3  PRO   3           HD3      PRO   3   4.484  -5.450  -1.777
   21    H    GLY   4           H        GLY   4   7.928  -1.938  -3.336
   22    HA2  GLY   4           HA2      GLY   4  10.043  -1.864  -4.740
   23    HA3  GLY   4           HA3      GLY   4   9.254  -3.108  -5.699
   24    H    GLN   5           H        GLN   5   7.092  -0.814  -4.455
   25    HA   GLN   5           HA       GLN   5   6.488   0.164  -7.078
   26    HB2  GLN   5           HB2      GLN   5   5.415   0.947  -4.363
   27    HB3  GLN   5           HB3      GLN   5   4.777   1.535  -5.893
   28    HG2  GLN   5           HG2      GLN   5   4.627  -1.086  -6.360
   29    HG3  GLN   5           HG3      GLN   5   4.489  -1.105  -4.602
   30   HE21  GLN   5          HE21      GLN   5   2.815  -0.863  -7.447
   31   HE22  GLN   5          HE22      GLN   5   1.343  -0.188  -6.847
   32    HA   PRO   6           HA       PRO   6   8.869   3.846  -7.218
   33    HB2  PRO   6           HB2      PRO   6   7.191   5.530  -8.529
   34    HB3  PRO   6           HB3      PRO   6   8.015   4.184  -9.324
   35    HG2  PRO   6           HG2      PRO   6   5.207   4.347  -8.302
   36    HG3  PRO   6           HG3      PRO   6   5.806   3.657  -9.821
   37    HD2  PRO   6           HD2      PRO   6   5.176   2.130  -7.676
   38    HD3  PRO   6           HD3      PRO   6   6.465   1.691  -8.815
   39    H    GLY   7           H        GLY   7   8.927   4.310  -4.956
   40    HA2  GLY   7           HA2      GLY   7   8.620   6.606  -3.888
   41    HA3  GLY   7           HA3      GLY   7   6.906   6.254  -4.043
   42    H    CYS   8           H        CYS   8   7.367   3.385  -3.427
   43    HA   CYS   8           HA       CYS   8   7.437   3.689  -0.520
   44    HB2  CYS   8           HB2      CYS   8   5.557   2.493  -1.828
   45    HB3  CYS   8           HB3      CYS   8   6.705   1.168  -1.990
   46    H    GLY   9           H        GLY   9   8.369   1.723   0.680
   47    HA2  GLY   9           HA2      GLY   9  10.368   0.107  -0.405
   48    HA3  GLY   9           HA3      GLY   9  11.139   1.594   0.128
   49    H    HIS  10           H        HIS  10  12.149  -0.382   1.388
   50    HA   HIS  10           HA       HIS  10  10.717  -1.406   3.608
   51    HB2  HIS  10           HB2      HIS  10  12.720  -2.425   4.256
   52    HB3  HIS  10           HB3      HIS  10  12.883  -2.296   2.507
   53    HD1  HIS  10           HD1      HIS  10  14.978  -2.077   5.195
   54    HD2  HIS  10           HD2      HIS  10  14.149   0.603   2.131
   55    HE1  HIS  10           HE1      HIS  10  16.965  -0.540   5.091
   56    H    CYS  11           H        CYS  11  10.139  -0.412   5.414
   57    HA   CYS  11           HA       CYS  11  10.828   2.259   5.993
   58    HB2  CYS  11           HB2      CYS  11   9.657   1.882   8.134
   59    HB3  CYS  11           HB3      CYS  11   8.731   1.287   6.761
   60    H    SER  12           H        SER  12  11.816   2.994   8.060
   61    HA   SER  12           HA       SER  12  13.779   1.227   9.254
   62    HB2  SER  12           HB2      SER  12  15.696   2.647   8.731
   63    HB3  SER  12           HB3      SER  12  14.936   2.088   7.241
   64    HG   SER  12           HG       SER  12  15.066   4.644   8.329
   65    H    ARG  13           H        ARG  13  14.557   1.957  11.239
   66    HA   ARG  13           HA       ARG  13  12.939   3.291  12.929
   67    HB2  ARG  13           HB2      ARG  13  15.953   3.212  12.906
   68    HB3  ARG  13           HB3      ARG  13  15.037   3.910  14.235
   69    HG2  ARG  13           HG2      ARG  13  14.682   1.081  13.278
   70    HG3  ARG  13           HG3      ARG  13  15.783   1.549  14.576
   71    HD2  ARG  13           HD2      ARG  13  13.484   2.765  15.361
   72    HD3  ARG  13           HD3      ARG  13  12.854   1.326  14.562
   73    HE   ARG  13           HE       ARG  13  14.270   1.441  17.054
   74   HH11  ARG  13          HH11      ARG  13  13.490  -0.555  14.310
   75   HH12  ARG  13          HH12      ARG  13  13.717  -2.045  15.165
   76   HH21  ARG  13          HH21      ARG  13  14.572  -0.514  18.190
   77   HH22  ARG  13          HH22      ARG  13  14.331  -2.020  17.372
   78    HA   PRO  14           HA       PRO  14  12.921   4.655  14.728
   79    HB2  PRO  14           HB2      PRO  14  10.843   6.347  15.167
   80    HB3  PRO  14           HB3      PRO  14  12.508   6.734  15.617
   81    HG2  PRO  14           HG2      PRO  14  10.947   7.596  13.213
   82    HG3  PRO  14           HG3      PRO  14  12.027   8.550  14.247
   83    HD2  PRO  14           HD2      PRO  14  12.802   7.566  11.846
   84    HD3  PRO  14           HD3      PRO  14  13.926   7.761  13.206
   85    H    ASN  15           H        ASN  15  11.941   4.401  11.708
   86    HA   ASN  15           HA       ASN  15   9.179   3.637  12.107
   87    HB2  ASN  15           HB2      ASN  15  10.744   3.017   9.623
   88    HB3  ASN  15           HB3      ASN  15   9.037   3.415   9.788
   89   HD21  ASN  15          HD21      ASN  15  10.988   4.579   8.015
   90   HD22  ASN  15          HD22      ASN  15  11.054   6.264   8.388
   91    H    TYR  16           H        TYR  16   8.348   1.561  12.014
   92    HA   TYR  16           HA       TYR  16  10.218  -0.677  11.846
   93    HB2  TYR  16           HB2      TYR  16   9.517  -1.661  13.915
   94    HB3  TYR  16           HB3      TYR  16  10.002  -0.005  14.258
   95    HD1  TYR  16           HD1      TYR  16   8.146   1.757  14.430
   96    HD2  TYR  16           HD2      TYR  16   7.402  -2.430  14.549
   97    HE1  TYR  16           HE1      TYR  16   5.968   2.181  15.491
   98    HE2  TYR  16           HE2      TYR  16   5.221  -2.018  15.608
   99    HH   TYR  16           HH       TYR  16   4.000  -0.417  16.746
  100    H    CYS  17           H        CYS  17   8.681  -2.773  12.386
  101    HA   CYS  17           HA       CYS  17   6.680  -2.667  10.271
  102    HB2  CYS  17           HB2      CYS  17   8.291  -4.775  11.572
  103    HB3  CYS  17           HB3      CYS  17   6.665  -5.253  11.097
  104    H    GLU  18           H        GLU  18   4.525  -2.907  10.557
  105    HA   GLU  18           HA       GLU  18   3.482  -3.691  13.161
  106    HB2  GLU  18           HB2      GLU  18   3.827  -1.141  13.043
  107    HB3  GLU  18           HB3      GLU  18   2.486  -1.145  11.906
  108    HG2  GLU  18           HG2      GLU  18   2.120  -0.754  14.482
  109    HG3  GLU  18           HG3      GLU  18   0.945  -1.627  13.499
  110    H    GLY  19           H        GLY  19   2.068  -5.241  12.717
  111    HA2  GLY  19           HA2      GLY  19   0.587  -5.131  10.181
  112    HA3  GLY  19           HA3      GLY  19   0.828  -6.567  11.165
  113    H    ALA  20           H        ALA  20   0.073  -4.000  13.150
  114    HA   ALA  20           HA       ALA  20  -2.811  -4.584  13.027
  115    HB1  ALA  20           HB1      ALA  20  -2.059  -3.994  15.713
  116    HB2  ALA  20           HB2      ALA  20  -2.793  -5.461  15.063
  117    HB3  ALA  20           HB3      ALA  20  -1.037  -5.297  15.105
  118    H    ARG  21           H        ARG  21  -0.762  -2.477  15.038
  119    HA   ARG  21           HA       ARG  21  -1.682  -0.086  13.749
  120    HB2  ARG  21           HB2      ARG  21  -3.310  -1.134  15.789
  121    HB3  ARG  21           HB3      ARG  21  -2.440   0.210  16.515
  122    HG2  ARG  21           HG2      ARG  21  -3.422   1.766  15.149
  123    HG3  ARG  21           HG3      ARG  21  -3.734   0.599  13.863
  124    HD2  ARG  21           HD2      ARG  21  -5.120   0.001  16.366
  125    HD3  ARG  21           HD3      ARG  21  -5.588   1.541  15.646
  126    HE   ARG  21           HE       ARG  21  -5.572  -0.506  13.691
  127   HH11  ARG  21          HH11      ARG  21  -7.399   0.682  16.406
  128   HH12  ARG  21          HH12      ARG  21  -8.910   0.064  15.827
  129   HH21  ARG  21          HH21      ARG  21  -7.555  -1.325  12.918
  130   HH22  ARG  21          HH22      ARG  21  -8.998  -1.079  13.843
  131    H    CYS  22           H        CYS  22  -0.492   1.725  14.331
  132    HA   CYS  22           HA       CYS  22   2.101   1.319  15.262
  133    HB2  CYS  22           HB2      CYS  22   0.551   3.917  15.260
  134    HB3  CYS  22           HB3      CYS  22   2.303   3.752  15.307
  135    H    GLU  23           H        GLU  23   3.136   1.694  17.202
  136    HA   GLU  23           HA       GLU  23   1.601   1.264  19.558
  137    HB2  GLU  23           HB2      GLU  23   4.513   1.892  19.096
  138    HB3  GLU  23           HB3      GLU  23   3.841   1.660  20.704
  139    HG2  GLU  23           HG2      GLU  23   3.090  -0.497  18.946
  140    HG3  GLU  23           HG3      GLU  23   4.840  -0.291  18.998
  141    H    SER  24           H        SER  24   1.855   2.658  21.527
  142    HA   SER  24           HA       SER  24   0.746   5.178  21.096
  143    HB2  SER  24           HB2      SER  24   2.289   4.327  23.555
  144    HB3  SER  24           HB3      SER  24   1.031   5.560  23.463
  145    HG   SER  24           HG       SER  24  -0.427   3.865  22.870
  146    H    GLY  25           H        GLY  25   1.935   6.416  19.664
  147    HA2  GLY  25           HA2      GLY  25   3.450   8.416  20.153
  148    HA3  GLY  25           HA3      GLY  25   4.646   7.187  20.533
  149    H    PHE  26           H        PHE  26   3.425   5.514  18.294
  150    HA   PHE  26           HA       PHE  26   5.052   6.703  16.180
  151    HB2  PHE  26           HB2      PHE  26   3.859   3.943  16.495
  152    HB3  PHE  26           HB3      PHE  26   4.775   4.463  15.083
  153    HD1  PHE  26           HD1      PHE  26   5.009   3.984  18.751
  154    HD2  PHE  26           HD2      PHE  26   7.105   4.355  15.065
  155    HE1  PHE  26           HE1      PHE  26   7.099   3.344  19.879
  156    HE2  PHE  26           HE2      PHE  26   9.199   3.714  16.187
  157    HZ   PHE  26           HZ       PHE  26   9.198   3.207  18.597
  158    H    HIS  27           H        HIS  27   4.253   6.555  13.926
  159    HA   HIS  27           HA       HIS  27   1.334   6.907  13.763
  160    HB2  HIS  27           HB2      HIS  27   1.966   8.595  11.875
  161    HB3  HIS  27           HB3      HIS  27   2.033   9.112  13.557
  162    HD1  HIS  27           HD1      HIS  27   4.269   9.856  14.456
  163    HD2  HIS  27           HD2      HIS  27   4.537   8.122  10.690
  164    HE1  HIS  27           HE1      HIS  27   6.626  10.280  13.686
  165    H    ASP  28           H        ASP  28   0.322   6.058  11.990
  166    HA   ASP  28           HA       ASP  28   1.601   3.941  10.625
  167    HB2  ASP  28           HB2      ASP  28  -0.711   3.678  10.889
  168    HB3  ASP  28           HB3      ASP  28  -1.055   5.312  10.328
  169    H    CYS  29           H        CYS  29   3.076   4.149   9.086
  170    HA   CYS  29           HA       CYS  29   2.745   6.310   7.109
  171    HB2  CYS  29           HB2      CYS  29   5.268   6.202   6.880
  172    HB3  CYS  29           HB3      CYS  29   4.666   6.878   8.390
  173    H    GLY  30           H        GLY  30   1.843   3.455   7.139
  174    HA2  GLY  30           HA2      GLY  30   3.383   1.815   5.508
  175    HA3  GLY  30           HA3      GLY  30   1.629   1.765   5.601
  176    H    SER  31           H        SER  31   1.963   4.771   4.694
  177    HA   SER  31           HA       SER  31   1.036   4.573   2.149
  178    HB2  SER  31           HB2      SER  31   3.014   6.736   2.830
  179    HB3  SER  31           HB3      SER  31   1.550   6.847   1.854
  180    HG   SER  31           HG       SER  31   0.424   7.180   3.600
  181    H    ASP  32           H        ASP  32   4.428   5.503   2.702
  182    HA   ASP  32           HA       ASP  32   5.131   4.030   0.251
  183    HB2  ASP  32           HB2      ASP  32   7.237   5.580   0.445
  184    HB3  ASP  32           HB3      ASP  32   5.731   6.219  -0.207
  185    H    HIS  33           H        HIS  33   4.895   2.832   2.881
  186    HA   HIS  33           HA       HIS  33   7.554   1.660   3.019
  187    HB2  HIS  33           HB2      HIS  33   6.207   2.733   5.504
  188    HB3  HIS  33           HB3      HIS  33   7.775   1.935   5.415
  189    HD1  HIS  33           HD1      HIS  33   6.581   5.123   5.967
  190    HD2  HIS  33           HD2      HIS  33   9.385   3.619   3.296
  191    HE1  HIS  33           HE1      HIS  33   8.013   7.086   5.319
  192    H    TRP  34           H        TRP  34   7.261  -0.456   2.900
  193    HA   TRP  34           HA       TRP  34   4.873  -1.618   4.180
  194    HB2  TRP  34           HB2      TRP  34   5.414  -3.498   2.378
  195    HB3  TRP  34           HB3      TRP  34   4.423  -2.096   1.985
  196    HD1  TRP  34           HD1      TRP  34   5.077  -1.015  -0.229
  197    HE1  TRP  34           HE1      TRP  34   7.231  -0.796  -1.621
  198    HE3  TRP  34           HE3      TRP  34   8.312  -3.453   2.891
  199    HZ2  TRP  34           HZ2      TRP  34   9.942  -1.556  -1.422
  200    HZ3  TRP  34           HZ3      TRP  34  10.668  -3.663   2.216
  201    HH2  TRP  34           HH2      TRP  34  11.464  -2.735   0.103
  202    H    CYS  35           H        CYS  35   5.187  -4.030   4.634
  203    HA   CYS  35           HA       CYS  35   7.801  -4.359   5.937
  204    HB2  CYS  35           HB2      CYS  35   5.043  -5.342   6.560
  205    HB3  CYS  35           HB3      CYS  35   6.430  -6.265   7.127
  206    H    ASP  36           H        ASP  36   8.470  -6.729   6.165
  207    HA   ASP  36           HA       ASP  36   9.167  -7.781   3.730
  208    HB2  ASP  36           HB2      ASP  36   8.962  -8.921   6.478
  209    HB3  ASP  36           HB3      ASP  36   9.223 -10.035   5.140
  210    H    ALA  37           H        ALA  37   6.278  -8.458   5.636
  211    HA   ALA  37           HA       ALA  37   5.320 -10.341   3.621
  212    HB1  ALA  37           HB1      ALA  37   3.524  -9.686   5.838
  213    HB2  ALA  37           HB2      ALA  37   4.060 -11.254   5.234
  214    HB3  ALA  37           HB3      ALA  37   5.087 -10.335   6.335
  215    H    SER  38           H        SER  38   4.021  -9.742   2.022
  216    HA   SER  38           HA       SER  38   3.202  -7.103   1.594
  217    HB2  SER  38           HB2      SER  38   3.457  -8.792  -0.203
  218    HB3  SER  38           HB3      SER  38   2.015  -9.615   0.390
  219    HG   SER  38           HG       SER  38   0.774  -8.017  -0.343
  220    H    GLY  39           H        GLY  39   2.237  -6.609   3.694
  221    HA2  GLY  39           HA2      GLY  39  -0.511  -6.359   3.626
  222    HA3  GLY  39           HA3      GLY  39  -0.200  -7.843   4.514
  223    H    ASP  40           H        ASP  40   2.395  -6.583   5.474
  224    HA   ASP  40           HA       ASP  40   1.211  -5.294   7.800
  225    HB2  ASP  40           HB2      ASP  40   3.796  -6.620   7.187
  226    HB3  ASP  40           HB3      ASP  40   3.829  -5.337   8.393
  227    H    ARG  41           H        ARG  41   1.277  -3.175   8.200
  228    HA   ARG  41           HA       ARG  41   2.629  -1.452   6.267
  229    HB2  ARG  41           HB2      ARG  41   1.227   0.119   8.137
  230    HB3  ARG  41           HB3      ARG  41   0.768  -0.242   6.478
  231    HG2  ARG  41           HG2      ARG  41  -1.091  -0.874   7.706
  232    HG3  ARG  41           HG3      ARG  41  -0.241  -2.398   7.444
  233    HD2  ARG  41           HD2      ARG  41  -0.207  -2.719   9.640
  234    HD3  ARG  41           HD3      ARG  41   0.809  -1.287   9.807
  235    HE   ARG  41           HE       ARG  41  -2.047  -1.474  10.299
  236   HH11  ARG  41          HH11      ARG  41   0.745   0.567   9.898
  237   HH12  ARG  41          HH12      ARG  41   0.028   1.927  10.697
  238   HH21  ARG  41          HH21      ARG  41  -3.002   0.310  11.352
  239   HH22  ARG  41          HH22      ARG  41  -2.103   1.780  11.524
  240    H    CYS  42           H        CYS  42   4.341  -0.200   6.738
  241    HA   CYS  42           HA       CYS  42   5.697  -0.619   9.243
  242    HB2  CYS  42           HB2      CYS  42   6.344   0.823   6.694
  243    HB3  CYS  42           HB3      CYS  42   7.315   1.109   8.134
  244    H    CYS  43           H        CYS  43   5.718   0.673  10.972
  245    HA   CYS  43           HA       CYS  43   4.266   3.220  10.795
  246    HB2  CYS  43           HB2      CYS  43   4.772   1.280  13.027
  247    HB3  CYS  43           HB3      CYS  43   4.378   2.956  13.391
  248    H    CYS  44           H        CYS  44   5.212   5.127  11.274
  249    HA   CYS  44           HA       CYS  44   8.073   5.054  11.967
  250    HB2  CYS  44           HB2      CYS  44   6.571   7.270  10.559
  251    HB3  CYS  44           HB3      CYS  44   8.312   7.164  10.802
  252    H    ALA  45           H        ALA  45   8.792   6.104  13.730
  253    HA   ALA  45           HA       ALA  45   6.857   7.113  15.605
  254    HB1  ALA  45           HB1      ALA  45   9.750   7.456  16.128
  255    HB2  ALA  45           HB2      ALA  45   8.466   6.871  17.186
  256    HB3  ALA  45           HB3      ALA  45   9.152   5.805  15.960
  Start of MODEL    8
    1    H    CYS   1           H        CYS   1   1.383   0.845   0.603
    2    HA   CYS   1           HA       CYS   1   1.475   0.328  -2.132
    3    HB2  CYS   1           HB2      CYS   1   3.932   0.985  -1.901
    4    HB3  CYS   1           HB3      CYS   1   2.744   2.157  -1.339
    5    H    TYR   2           H        TYR   2   2.924  -0.979  -3.380
    6    HA   TYR   2           HA       TYR   2   3.281  -3.616  -2.215
    7    HB2  TYR   2           HB2      TYR   2   3.080  -2.495  -4.937
    8    HB3  TYR   2           HB3      TYR   2   4.184  -3.857  -4.772
    9    HD1  TYR   2           HD1      TYR   2   1.286  -3.419  -6.127
   10    HD2  TYR   2           HD2      TYR   2   2.758  -5.426  -2.675
   11    HE1  TYR   2           HE1      TYR   2  -0.621  -4.969  -6.222
   12    HE2  TYR   2           HE2      TYR   2   0.855  -6.982  -2.762
   13    HH   TYR   2           HH       TYR   2  -1.756  -6.564  -5.098
   14    HA   PRO   3           HA       PRO   3   7.630  -3.525  -1.650
   15    HB2  PRO   3           HB2      PRO   3   8.423  -5.938  -2.609
   16    HB3  PRO   3           HB3      PRO   3   7.523  -5.753  -1.099
   17    HG2  PRO   3           HG2      PRO   3   6.526  -6.512  -3.818
   18    HG3  PRO   3           HG3      PRO   3   6.108  -7.204  -2.240
   19    HD2  PRO   3           HD2      PRO   3   4.516  -5.425  -3.519
   20    HD3  PRO   3           HD3      PRO   3   4.625  -5.508  -1.749
   21    H    GLY   4           H        GLY   4   8.498  -1.948  -2.953
   22    HA2  GLY   4           HA2      GLY   4  10.245  -1.576  -4.554
   23    HA3  GLY   4           HA3      GLY   4   9.590  -2.891  -5.518
   24    H    GLN   5           H        GLN   5   7.296  -0.719  -4.199
   25    HA   GLN   5           HA       GLN   5   6.484   0.123  -6.813
   26    HB2  GLN   5           HB2      GLN   5   5.521   0.763  -4.033
   27    HB3  GLN   5           HB3      GLN   5   4.843   1.546  -5.454
   28    HG2  GLN   5           HG2      GLN   5   4.676  -1.051  -6.183
   29    HG3  GLN   5           HG3      GLN   5   4.471  -1.180  -4.437
   30   HE21  GLN   5          HE21      GLN   5   2.920  -0.684  -7.323
   31   HE22  GLN   5          HE22      GLN   5   1.443  -0.011  -6.731
   32    HA   PRO   6           HA       PRO   6   8.582   3.953  -7.225
   33    HB2  PRO   6           HB2      PRO   6   6.690   5.516  -8.386
   34    HB3  PRO   6           HB3      PRO   6   7.511   4.206  -9.242
   35    HG2  PRO   6           HG2      PRO   6   4.809   4.225  -7.955
   36    HG3  PRO   6           HG3      PRO   6   5.298   3.545  -9.517
   37    HD2  PRO   6           HD2      PRO   6   4.968   2.021  -7.304
   38    HD3  PRO   6           HD3      PRO   6   6.166   1.638  -8.557
   39    H    GLY   7           H        GLY   7   8.824   4.451  -4.980
   40    HA2  GLY   7           HA2      GLY   7   8.557   6.687  -3.853
   41    HA3  GLY   7           HA3      GLY   7   6.831   6.377  -3.958
   42    H    CYS   8           H        CYS   8   7.325   3.474  -3.383
   43    HA   CYS   8           HA       CYS   8   7.417   3.762  -0.476
   44    HB2  CYS   8           HB2      CYS   8   5.550   2.538  -1.791
   45    HB3  CYS   8           HB3      CYS   8   6.720   1.230  -1.940
   46    H    GLY   9           H        GLY   9   8.409   1.840   0.720
   47    HA2  GLY   9           HA2      GLY   9  10.427   0.260  -0.406
   48    HA3  GLY   9           HA3      GLY   9  11.167   1.752   0.154
   49    H    HIS  10           H        HIS  10  12.218  -0.228   1.375
   50    HA   HIS  10           HA       HIS  10  10.810  -1.324   3.575
   51    HB2  HIS  10           HB2      HIS  10  12.823  -2.380   2.651
   52    HB3  HIS  10           HB3      HIS  10  13.790  -1.000   3.161
   53    HD1  HIS  10           HD1      HIS  10  11.188  -2.407   5.446
   54    HD2  HIS  10           HD2      HIS  10  15.305  -2.570   4.913
   55    HE1  HIS  10           HE1      HIS  10  12.092  -3.492   7.526
   56    H    CYS  11           H        CYS  11  10.200  -0.369   5.392
   57    HA   CYS  11           HA       CYS  11  10.838   2.303   6.023
   58    HB2  CYS  11           HB2      CYS  11   9.658   1.869   8.147
   59    HB3  CYS  11           HB3      CYS  11   8.752   1.278   6.758
   60    H    SER  12           H        SER  12  11.801   3.018   8.108
   61    HA   SER  12           HA       SER  12  13.802   1.259   9.261
   62    HB2  SER  12           HB2      SER  12  14.488   3.081   7.186
   63    HB3  SER  12           HB3      SER  12  15.163   3.708   8.690
   64    HG   SER  12           HG       SER  12  16.682   2.319   8.080
   65    H    ARG  13           H        ARG  13  14.526   1.920  11.286
   66    HA   ARG  13           HA       ARG  13  12.855   3.144  13.007
   67    HB2  ARG  13           HB2      ARG  13  15.874   3.245  13.063
   68    HB3  ARG  13           HB3      ARG  13  14.847   3.675  14.424
   69    HG2  ARG  13           HG2      ARG  13  14.073   1.458  14.666
   70    HG3  ARG  13           HG3      ARG  13  14.746   0.978  13.107
   71    HD2  ARG  13           HD2      ARG  13  16.352   0.141  14.499
   72    HD3  ARG  13           HD3      ARG  13  17.000   1.759  14.231
   73    HE   ARG  13           HE       ARG  13  15.905   0.701  16.688
   74   HH11  ARG  13          HH11      ARG  13  16.793   3.546  14.888
   75   HH12  ARG  13          HH12      ARG  13  16.952   4.545  16.295
   76   HH21  ARG  13          HH21      ARG  13  16.111   2.006  18.547
   77   HH22  ARG  13          HH22      ARG  13  16.565   3.668  18.375
   78    HA   PRO  14           HA       PRO  14  12.800   4.430  14.871
   79    HB2  PRO  14           HB2      PRO  14  10.685   6.058  15.367
   80    HB3  PRO  14           HB3      PRO  14  12.339   6.460  15.844
   81    HG2  PRO  14           HG2      PRO  14  10.774   7.391  13.468
   82    HG3  PRO  14           HG3      PRO  14  11.827   8.322  14.549
   83    HD2  PRO  14           HD2      PRO  14  12.636   7.458  12.114
   84    HD3  PRO  14           HD3      PRO  14  13.748   7.618  13.489
   85    H    ASN  15           H        ASN  15  11.849   4.274  11.838
   86    HA   ASN  15           HA       ASN  15   9.098   3.446  12.179
   87    HB2  ASN  15           HB2      ASN  15  10.701   2.948   9.692
   88    HB3  ASN  15           HB3      ASN  15   8.984   3.305   9.853
   89   HD21  ASN  15          HD21      ASN  15  10.936   4.572   8.148
   90   HD22  ASN  15          HD22      ASN  15  10.960   6.244   8.583
   91    H    TYR  16           H        TYR  16   8.307   1.363  12.026
   92    HA   TYR  16           HA       TYR  16  10.212  -0.837  11.774
   93    HB2  TYR  16           HB2      TYR  16   9.538  -1.903  13.811
   94    HB3  TYR  16           HB3      TYR  16   9.995  -0.251  14.210
   95    HD1  TYR  16           HD1      TYR  16   8.116   1.469  14.465
   96    HD2  TYR  16           HD2      TYR  16   7.432  -2.730  14.409
   97    HE1  TYR  16           HE1      TYR  16   5.935   1.816  15.547
   98    HE2  TYR  16           HE2      TYR  16   5.248  -2.395  15.490
   99    HH   TYR  16           HH       TYR  16   4.373   0.185  17.103
  100    H    CYS  17           H        CYS  17   8.679  -2.966  12.290
  101    HA   CYS  17           HA       CYS  17   6.691  -2.832  10.164
  102    HB2  CYS  17           HB2      CYS  17   8.302  -4.960  11.438
  103    HB3  CYS  17           HB3      CYS  17   6.686  -5.433  10.925
  104    H    GLU  18           H        GLU  18   4.538  -3.049  10.443
  105    HA   GLU  18           HA       GLU  18   3.482  -3.923  13.013
  106    HB2  GLU  18           HB2      GLU  18   3.842  -1.371  12.985
  107    HB3  GLU  18           HB3      GLU  18   2.501  -1.329  11.849
  108    HG2  GLU  18           HG2      GLU  18   2.137  -1.028  14.437
  109    HG3  GLU  18           HG3      GLU  18   0.958  -1.861  13.425
  110    H    GLY  19           H        GLY  19   2.273  -5.579  12.315
  111    HA2  GLY  19           HA2      GLY  19   0.724  -5.311   9.852
  112    HA3  GLY  19           HA3      GLY  19   0.974  -6.790  10.767
  113    H    ALA  20           H        ALA  20   0.189  -4.366  12.896
  114    HA   ALA  20           HA       ALA  20  -2.686  -4.998  12.740
  115    HB1  ALA  20           HB1      ALA  20  -2.437  -4.606  15.360
  116    HB2  ALA  20           HB2      ALA  20  -2.212  -6.189  14.614
  117    HB3  ALA  20           HB3      ALA  20  -0.810  -5.200  15.024
  118    H    ARG  21           H        ARG  21  -0.769  -2.869  14.844
  119    HA   ARG  21           HA       ARG  21  -1.681  -0.477  13.560
  120    HB2  ARG  21           HB2      ARG  21  -3.356  -1.622  15.552
  121    HB3  ARG  21           HB3      ARG  21  -2.626  -0.177  16.237
  122    HG2  ARG  21           HG2      ARG  21  -3.383   1.048  14.173
  123    HG3  ARG  21           HG3      ARG  21  -4.312  -0.394  13.761
  124    HD2  ARG  21           HD2      ARG  21  -5.888   0.045  15.294
  125    HD3  ARG  21           HD3      ARG  21  -4.702   0.514  16.511
  126    HE   ARG  21           HE       ARG  21  -5.191   2.675  16.009
  127   HH11  ARG  21          HH11      ARG  21  -5.861   0.730  13.201
  128   HH12  ARG  21          HH12      ARG  21  -6.448   2.060  12.258
  129   HH21  ARG  21          HH21      ARG  21  -5.961   4.434  14.778
  130   HH22  ARG  21          HH22      ARG  21  -6.503   4.167  13.156
  131    H    CYS  22           H        CYS  22  -0.515   1.311  14.181
  132    HA   CYS  22           HA       CYS  22   1.994   0.937  15.325
  133    HB2  CYS  22           HB2      CYS  22   0.480   3.552  15.242
  134    HB3  CYS  22           HB3      CYS  22   2.227   3.335  15.281
  135    H    GLU  23           H        GLU  23   2.873   1.360  17.334
  136    HA   GLU  23           HA       GLU  23   1.178   0.921  19.570
  137    HB2  GLU  23           HB2      GLU  23   3.233   1.233  20.909
  138    HB3  GLU  23           HB3      GLU  23   3.459   0.106  19.580
  139    HG2  GLU  23           HG2      GLU  23   4.258   2.340  18.366
  140    HG3  GLU  23           HG3      GLU  23   4.643   2.773  20.031
  141    H    SER  24           H        SER  24   0.989   2.319  21.451
  142    HA   SER  24           HA       SER  24  -0.021   4.841  20.846
  143    HB2  SER  24           HB2      SER  24   0.625   3.351  23.315
  144    HB3  SER  24           HB3      SER  24   0.563   5.105  23.487
  145    HG   SER  24           HG       SER  24  -1.535   4.999  22.492
  146    H    GLY  25           H        GLY  25   1.640   5.795  19.519
  147    HA2  GLY  25           HA2      GLY  25   3.010   7.875  20.508
  148    HA3  GLY  25           HA3      GLY  25   4.134   6.556  20.798
  149    H    PHE  26           H        PHE  26   3.121   5.192  18.313
  150    HA   PHE  26           HA       PHE  26   4.842   6.662  16.461
  151    HB2  PHE  26           HB2      PHE  26   3.771   3.836  16.403
  152    HB3  PHE  26           HB3      PHE  26   4.746   4.543  15.118
  153    HD1  PHE  26           HD1      PHE  26   6.927   3.865  15.123
  154    HD2  PHE  26           HD2      PHE  26   4.922   4.357  18.846
  155    HE1  PHE  26           HE1      PHE  26   8.976   3.198  16.311
  156    HE2  PHE  26           HE2      PHE  26   6.968   3.692  20.039
  157    HZ   PHE  26           HZ       PHE  26   8.999   3.112  18.772
  158    H    HIS  27           H        HIS  27   4.096   6.193  14.041
  159    HA   HIS  27           HA       HIS  27   1.218   6.696  13.789
  160    HB2  HIS  27           HB2      HIS  27   1.941   8.419  11.957
  161    HB3  HIS  27           HB3      HIS  27   1.909   8.904  13.650
  162    HD1  HIS  27           HD1      HIS  27   4.092   9.626  14.694
  163    HD2  HIS  27           HD2      HIS  27   4.573   7.994  10.904
  164    HE1  HIS  27           HE1      HIS  27   6.485  10.079  14.065
  165    H    ASP  28           H        ASP  28   0.286   5.695  12.098
  166    HA   ASP  28           HA       ASP  28   1.676   3.704  10.681
  167    HB2  ASP  28           HB2      ASP  28  -0.647   3.375  10.990
  168    HB3  ASP  28           HB3      ASP  28  -1.042   4.953  10.314
  169    H    CYS  29           H        CYS  29   3.086   3.955   9.091
  170    HA   CYS  29           HA       CYS  29   2.680   6.167   7.186
  171    HB2  CYS  29           HB2      CYS  29   5.205   6.103   6.909
  172    HB3  CYS  29           HB3      CYS  29   4.612   6.746   8.437
  173    H    GLY  30           H        GLY  30   1.778   3.346   7.100
  174    HA2  GLY  30           HA2      GLY  30   3.316   1.733   5.444
  175    HA3  GLY  30           HA3      GLY  30   1.560   1.710   5.505
  176    H    SER  31           H        SER  31   1.911   4.725   4.694
  177    HA   SER  31           HA       SER  31   1.043   4.621   2.130
  178    HB2  SER  31           HB2      SER  31   2.887   6.818   2.286
  179    HB3  SER  31           HB3      SER  31   1.125   6.848   2.354
  180    HG   SER  31           HG       SER  31   1.266   7.191   4.414
  181    H    ASP  32           H        ASP  32   4.427   5.540   2.725
  182    HA   ASP  32           HA       ASP  32   5.155   4.079   0.274
  183    HB2  ASP  32           HB2      ASP  32   7.256   5.653   0.519
  184    HB3  ASP  32           HB3      ASP  32   5.763   6.253  -0.198
  185    H    HIS  33           H        HIS  33   4.911   2.845   2.870
  186    HA   HIS  33           HA       HIS  33   7.587   1.718   3.037
  187    HB2  HIS  33           HB2      HIS  33   6.182   2.747   5.510
  188    HB3  HIS  33           HB3      HIS  33   7.756   1.960   5.446
  189    HD1  HIS  33           HD1      HIS  33   6.563   5.124   6.045
  190    HD2  HIS  33           HD2      HIS  33   9.366   3.686   3.336
  191    HE1  HIS  33           HE1      HIS  33   7.988   7.105   5.436
  192    H    TRP  34           H        TRP  34   7.317  -0.397   2.862
  193    HA   TRP  34           HA       TRP  34   4.941  -1.618   4.109
  194    HB2  TRP  34           HB2      TRP  34   5.509  -3.454   2.273
  195    HB3  TRP  34           HB3      TRP  34   4.509  -2.052   1.898
  196    HD1  TRP  34           HD1      TRP  34   5.167  -0.949  -0.302
  197    HE1  TRP  34           HE1      TRP  34   7.331  -0.679  -1.669
  198    HE3  TRP  34           HE3      TRP  34   8.409  -3.365   2.826
  199    HZ2  TRP  34           HZ2      TRP  34  10.052  -1.397  -1.451
  200    HZ3  TRP  34           HZ3      TRP  34  10.775  -3.530   2.173
  201    HH2  TRP  34           HH2      TRP  34  11.578  -2.566   0.078
  202    H    CYS  35           H        CYS  35   5.307  -4.062   4.458
  203    HA   CYS  35           HA       CYS  35   7.903  -4.366   5.805
  204    HB2  CYS  35           HB2      CYS  35   5.161  -5.440   6.342
  205    HB3  CYS  35           HB3      CYS  35   6.562  -6.347   6.901
  206    H    ASP  36           H        ASP  36   8.638  -6.718   5.959
  207    HA   ASP  36           HA       ASP  36   9.401  -7.667   3.502
  208    HB2  ASP  36           HB2      ASP  36   9.189  -8.902   6.207
  209    HB3  ASP  36           HB3      ASP  36   9.496  -9.966   4.837
  210    H    ALA  37           H        ALA  37   6.508  -8.501   5.341
  211    HA   ALA  37           HA       ALA  37   5.632 -10.328   3.237
  212    HB1  ALA  37           HB1      ALA  37   5.413 -10.569   5.889
  213    HB2  ALA  37           HB2      ALA  37   3.880  -9.764   5.552
  214    HB3  ALA  37           HB3      ALA  37   4.265 -11.294   4.763
  215    H    SER  38           H        SER  38   4.361  -9.679   1.638
  216    HA   SER  38           HA       SER  38   3.454  -7.060   1.319
  217    HB2  SER  38           HB2      SER  38   3.637  -8.253  -0.676
  218    HB3  SER  38           HB3      SER  38   2.794  -9.660  -0.029
  219    HG   SER  38           HG       SER  38   1.109  -8.836  -0.965
  220    H    GLY  39           H        GLY  39   2.446  -6.667   3.413
  221    HA2  GLY  39           HA2      GLY  39  -0.310  -6.517   3.323
  222    HA3  GLY  39           HA3      GLY  39   0.051  -8.012   4.173
  223    H    ASP  40           H        ASP  40   2.584  -6.692   5.199
  224    HA   ASP  40           HA       ASP  40   1.326  -5.494   7.537
  225    HB2  ASP  40           HB2      ASP  40   3.947  -6.755   6.943
  226    HB3  ASP  40           HB3      ASP  40   3.940  -5.492   8.170
  227    H    ARG  41           H        ARG  41   1.385  -3.388   8.033
  228    HA   ARG  41           HA       ARG  41   2.702  -1.585   6.148
  229    HB2  ARG  41           HB2      ARG  41   1.300  -0.018   7.951
  230    HB3  ARG  41           HB3      ARG  41   0.743  -0.525   6.362
  231    HG2  ARG  41           HG2      ARG  41  -0.220  -2.566   7.457
  232    HG3  ARG  41           HG3      ARG  41   0.162  -1.820   9.011
  233    HD2  ARG  41           HD2      ARG  41  -1.148   0.181   7.631
  234    HD3  ARG  41           HD3      ARG  41  -2.017  -1.279   7.162
  235    HE   ARG  41           HE       ARG  41  -2.810  -1.470   9.312
  236   HH11  ARG  41          HH11      ARG  41  -0.280   0.920   9.199
  237   HH12  ARG  41          HH12      ARG  41  -0.575   1.497  10.805
  238   HH21  ARG  41          HH21      ARG  41  -3.208  -0.718  11.429
  239   HH22  ARG  41          HH22      ARG  41  -2.240   0.565  12.073
  240    H    CYS  42           H        CYS  42   4.379  -0.301   6.666
  241    HA   CYS  42           HA       CYS  42   5.737  -0.773   9.163
  242    HB2  CYS  42           HB2      CYS  42   6.364   0.739   6.652
  243    HB3  CYS  42           HB3      CYS  42   7.313   1.036   8.105
  244    H    CYS  43           H        CYS  43   5.677   0.444  10.938
  245    HA   CYS  43           HA       CYS  43   4.192   2.973  10.827
  246    HB2  CYS  43           HB2      CYS  43   4.729   0.981  13.008
  247    HB3  CYS  43           HB3      CYS  43   4.278   2.634  13.410
  248    H    CYS  44           H        CYS  44   5.103   4.883  11.349
  249    HA   CYS  44           HA       CYS  44   7.957   4.846  12.070
  250    HB2  CYS  44           HB2      CYS  44   6.413   7.066  10.715
  251    HB3  CYS  44           HB3      CYS  44   8.153   7.004  10.979
  252    H    ALA  45           H        ALA  45   8.633   5.830  13.883
  253    HA   ALA  45           HA       ALA  45   6.665   6.757  15.765
  254    HB1  ALA  45           HB1      ALA  45   8.984   5.469  16.093
  255    HB2  ALA  45           HB2      ALA  45   9.540   7.123  16.350
  256    HB3  ALA  45           HB3      ALA  45   8.251   6.460  17.354
  Start of MODEL    9
    1    H    CYS   1           H        CYS   1   1.688  -0.257   0.885
    2    HA   CYS   1           HA       CYS   1   1.299   0.178  -2.005
    3    HB2  CYS   1           HB2      CYS   1   3.808   0.853  -1.892
    4    HB3  CYS   1           HB3      CYS   1   2.587   2.014  -1.378
    5    H    TYR   2           H        TYR   2   2.803  -0.970  -3.406
    6    HA   TYR   2           HA       TYR   2   3.214  -3.677  -2.469
    7    HB2  TYR   2           HB2      TYR   2   2.662  -2.467  -4.961
    8    HB3  TYR   2           HB3      TYR   2   4.238  -3.235  -5.118
    9    HD1  TYR   2           HD1      TYR   2   3.834  -5.120  -6.431
   10    HD2  TYR   2           HD2      TYR   2   1.293  -4.319  -3.113
   11    HE1  TYR   2           HE1      TYR   2   2.742  -7.301  -6.748
   12    HE2  TYR   2           HE2      TYR   2   0.195  -6.498  -3.420
   13    HH   TYR   2           HH       TYR   2   1.073  -8.635  -6.110
   14    HA   PRO   3           HA       PRO   3   7.522  -3.468  -1.659
   15    HB2  PRO   3           HB2      PRO   3   8.333  -5.931  -2.462
   16    HB3  PRO   3           HB3      PRO   3   7.383  -5.664  -0.996
   17    HG2  PRO   3           HG2      PRO   3   6.475  -6.560  -3.704
   18    HG3  PRO   3           HG3      PRO   3   6.000  -7.167  -2.107
   19    HD2  PRO   3           HD2      PRO   3   4.463  -5.451  -3.531
   20    HD3  PRO   3           HD3      PRO   3   4.511  -5.442  -1.756
   21    H    GLY   4           H        GLY   4   7.801  -1.819  -3.383
   22    HA2  GLY   4           HA2      GLY   4   9.875  -1.667  -4.840
   23    HA3  GLY   4           HA3      GLY   4   9.106  -2.934  -5.784
   24    H    GLN   5           H        GLN   5   6.912  -0.704  -4.468
   25    HA   GLN   5           HA       GLN   5   6.196   0.252  -7.071
   26    HB2  GLN   5           HB2      GLN   5   5.188   1.001  -4.323
   27    HB3  GLN   5           HB3      GLN   5   4.487   1.578  -5.829
   28    HG2  GLN   5           HG2      GLN   5   4.389  -1.043  -6.305
   29    HG3  GLN   5           HG3      GLN   5   4.311  -1.076  -4.545
   30   HE21  GLN   5          HE21      GLN   5   2.523  -0.919  -7.306
   31   HE22  GLN   5          HE22      GLN   5   1.059  -0.264  -6.663
   32    HA   PRO   6           HA       PRO   6   8.464   4.002  -7.288
   33    HB2  PRO   6           HB2      PRO   6   6.696   5.637  -8.541
   34    HB3  PRO   6           HB3      PRO   6   7.531   4.315  -9.364
   35    HG2  PRO   6           HG2      PRO   6   4.754   4.397  -8.250
   36    HG3  PRO   6           HG3      PRO   6   5.323   3.724  -9.789
   37    HD2  PRO   6           HD2      PRO   6   4.808   2.180  -7.625
   38    HD3  PRO   6           HD3      PRO   6   6.071   1.779  -8.806
   39    H    GLY   7           H        GLY   7   8.600   4.491  -5.042
   40    HA2  GLY   7           HA2      GLY   7   8.265   6.762  -3.951
   41    HA3  GLY   7           HA3      GLY   7   6.554   6.379  -4.064
   42    H    CYS   8           H        CYS   8   7.094   3.516  -3.467
   43    HA   CYS   8           HA       CYS   8   7.224   3.817  -0.562
   44    HB2  CYS   8           HB2      CYS   8   5.332   2.590  -1.801
   45    HB3  CYS   8           HB3      CYS   8   6.502   1.296  -2.043
   46    H    GLY   9           H        GLY   9   8.245   1.907   0.628
   47    HA2  GLY   9           HA2      GLY   9  10.248   0.323  -0.510
   48    HA3  GLY   9           HA3      GLY   9  10.996   1.828   0.005
   49    H    HIS  10           H        HIS  10  12.078  -0.131   1.237
   50    HA   HIS  10           HA       HIS  10  10.717  -1.172   3.497
   51    HB2  HIS  10           HB2      HIS  10  12.811  -2.106   2.376
   52    HB3  HIS  10           HB3      HIS  10  13.707  -0.867   3.250
   53    HD1  HIS  10           HD1      HIS  10  13.794  -1.099   5.862
   54    HD2  HIS  10           HD2      HIS  10  12.039  -4.299   3.877
   55    HE1  HIS  10           HE1      HIS  10  13.691  -2.961   7.549
   56    H    CYS  11           H        CYS  11  10.184  -0.179   5.318
   57    HA   CYS  11           HA       CYS  11  10.860   2.499   5.872
   58    HB2  CYS  11           HB2      CYS  11   9.664   2.213   7.940
   59    HB3  CYS  11           HB3      CYS  11   8.807   1.323   6.686
   60    H    SER  12           H        SER  12  11.831   3.185   8.018
   61    HA   SER  12           HA       SER  12  13.903   1.459   9.068
   62    HB2  SER  12           HB2      SER  12  14.988   2.432   7.078
   63    HB3  SER  12           HB3      SER  12  14.631   4.051   7.679
   64    HG   SER  12           HG       SER  12  16.524   2.202   8.545
   65    H    ARG  13           H        ARG  13  14.707   2.136  11.062
   66    HA   ARG  13           HA       ARG  13  13.085   3.337  12.847
   67    HB2  ARG  13           HB2      ARG  13  16.097   3.350  12.740
   68    HB3  ARG  13           HB3      ARG  13  15.206   3.991  14.114
   69    HG2  ARG  13           HG2      ARG  13  14.652   1.221  13.152
   70    HG3  ARG  13           HG3      ARG  13  16.071   1.545  14.150
   71    HD2  ARG  13           HD2      ARG  13  14.054   2.879  15.468
   72    HD3  ARG  13           HD3      ARG  13  13.254   1.421  14.882
   73    HE   ARG  13           HE       ARG  13  15.181   1.593  16.977
   74   HH11  ARG  13          HH11      ARG  13  13.980  -0.462  14.437
   75   HH12  ARG  13          HH12      ARG  13  14.471  -1.930  15.214
   76   HH21  ARG  13          HH21      ARG  13  15.832  -0.333  18.011
   77   HH22  ARG  13          HH22      ARG  13  15.523  -1.856  17.248
   78    HA   PRO  14           HA       PRO  14  13.095   4.626  14.713
   79    HB2  PRO  14           HB2      PRO  14  10.980   6.224  15.300
   80    HB3  PRO  14           HB3      PRO  14  12.647   6.650  15.704
   81    HG2  PRO  14           HG2      PRO  14  10.967   7.555  13.398
   82    HG3  PRO  14           HG3      PRO  14  12.052   8.503  14.431
   83    HD2  PRO  14           HD2      PRO  14  12.768   7.647  11.963
   84    HD3  PRO  14           HD3      PRO  14  13.936   7.825  13.288
   85    H    ASN  15           H        ASN  15  12.017   4.449  11.726
   86    HA   ASN  15           HA       ASN  15   9.298   3.571  12.196
   87    HB2  ASN  15           HB2      ASN  15  10.759   3.103   9.622
   88    HB3  ASN  15           HB3      ASN  15   9.058   3.478   9.886
   89   HD21  ASN  15          HD21      ASN  15  10.935   4.732   8.081
   90   HD22  ASN  15          HD22      ASN  15  11.000   6.402   8.522
   91    H    TYR  16           H        TYR  16   8.545   1.476  12.081
   92    HA   TYR  16           HA       TYR  16  10.476  -0.684  11.702
   93    HB2  TYR  16           HB2      TYR  16  10.039  -1.743  13.768
   94    HB3  TYR  16           HB3      TYR  16  10.306  -0.051  14.172
   95    HD1  TYR  16           HD1      TYR  16   8.299   1.419  14.611
   96    HD2  TYR  16           HD2      TYR  16   8.013  -2.815  14.316
   97    HE1  TYR  16           HE1      TYR  16   6.128   1.492  15.765
   98    HE2  TYR  16           HE2      TYR  16   5.841  -2.755  15.468
   99    HH   TYR  16           HH       TYR  16   4.775  -0.691  17.276
  100    H    CYS  17           H        CYS  17   9.028  -2.850  12.270
  101    HA   CYS  17           HA       CYS  17   6.936  -2.755  10.252
  102    HB2  CYS  17           HB2      CYS  17   8.609  -4.859  11.494
  103    HB3  CYS  17           HB3      CYS  17   6.983  -5.345  11.025
  104    H    GLU  18           H        GLU  18   4.810  -2.863  10.644
  105    HA   GLU  18           HA       GLU  18   3.840  -3.813  13.221
  106    HB2  GLU  18           HB2      GLU  18   4.286  -1.244  13.217
  107    HB3  GLU  18           HB3      GLU  18   2.828  -1.166  12.239
  108    HG2  GLU  18           HG2      GLU  18   2.721  -0.907  14.836
  109    HG3  GLU  18           HG3      GLU  18   1.466  -1.782  13.961
  110    H    GLY  19           H        GLY  19   2.322  -5.248  12.742
  111    HA2  GLY  19           HA2      GLY  19   0.964  -5.198  10.195
  112    HA3  GLY  19           HA3      GLY  19   0.772  -6.403  11.460
  113    H    ALA  20           H        ALA  20   0.333  -3.945  13.308
  114    HA   ALA  20           HA       ALA  20  -2.459  -3.430  12.523
  115    HB1  ALA  20           HB1      ALA  20  -1.636  -4.971  14.698
  116    HB2  ALA  20           HB2      ALA  20  -2.130  -3.423  15.385
  117    HB3  ALA  20           HB3      ALA  20  -3.254  -4.343  14.385
  118    H    ARG  21           H        ARG  21  -3.064  -1.810  14.757
  119    HA   ARG  21           HA       ARG  21  -2.115   0.688  13.860
  120    HB2  ARG  21           HB2      ARG  21  -3.267   0.258  16.601
  121    HB3  ARG  21           HB3      ARG  21  -3.444   1.647  15.538
  122    HG2  ARG  21           HG2      ARG  21  -4.593  -0.257  14.021
  123    HG3  ARG  21           HG3      ARG  21  -4.959  -0.871  15.634
  124    HD2  ARG  21           HD2      ARG  21  -5.757   1.505  16.152
  125    HD3  ARG  21           HD3      ARG  21  -5.722   1.762  14.408
  126    HE   ARG  21           HE       ARG  21  -7.187  -0.513  14.718
  127   HH11  ARG  21          HH11      ARG  21  -7.386   2.717  16.001
  128   HH12  ARG  21          HH12      ARG  21  -9.111   2.689  16.157
  129   HH21  ARG  21          HH21      ARG  21  -9.458  -0.563  14.918
  130   HH22  ARG  21          HH22      ARG  21 -10.289   0.822  15.541
  131    H    CYS  22           H        CYS  22  -0.396   1.879  14.408
  132    HA   CYS  22           HA       CYS  22   1.796   0.832  15.741
  133    HB2  CYS  22           HB2      CYS  22   1.274   3.792  15.676
  134    HB3  CYS  22           HB3      CYS  22   2.804   2.938  15.508
  135    H    GLU  23           H        GLU  23   2.815   1.556  17.750
  136    HA   GLU  23           HA       GLU  23   0.995   1.381  19.941
  137    HB2  GLU  23           HB2      GLU  23   3.819   2.219  20.377
  138    HB3  GLU  23           HB3      GLU  23   2.842   1.059  21.266
  139    HG2  GLU  23           HG2      GLU  23   3.018  -0.432  19.222
  140    HG3  GLU  23           HG3      GLU  23   4.269   0.674  18.656
  141    H    SER  24           H        SER  24   0.890   2.910  21.728
  142    HA   SER  24           HA       SER  24   0.147   5.471  20.931
  143    HB2  SER  24           HB2      SER  24   1.011   4.566  23.689
  144    HB3  SER  24           HB3      SER  24   0.088   6.024  23.328
  145    HG   SER  24           HG       SER  24  -0.704   3.325  23.061
  146    H    GLY  25           H        GLY  25   1.936   6.159  19.598
  147    HA2  GLY  25           HA2      GLY  25   3.498   8.142  20.594
  148    HA3  GLY  25           HA3      GLY  25   4.485   6.707  20.831
  149    H    PHE  26           H        PHE  26   3.499   5.380  18.431
  150    HA   PHE  26           HA       PHE  26   5.153   6.825  16.504
  151    HB2  PHE  26           HB2      PHE  26   4.116   3.987  16.555
  152    HB3  PHE  26           HB3      PHE  26   5.028   4.667  15.212
  153    HD1  PHE  26           HD1      PHE  26   7.182   3.906  15.153
  154    HD2  PHE  26           HD2      PHE  26   5.391   4.712  18.929
  155    HE1  PHE  26           HE1      PHE  26   9.287   3.303  16.276
  156    HE2  PHE  26           HE2      PHE  26   7.492   4.111  20.058
  157    HZ   PHE  26           HZ       PHE  26   9.444   3.406  18.732
  158    H    HIS  27           H        HIS  27   4.363   6.303  14.113
  159    HA   HIS  27           HA       HIS  27   1.475   6.769  13.911
  160    HB2  HIS  27           HB2      HIS  27   2.137   8.459  12.028
  161    HB3  HIS  27           HB3      HIS  27   2.146   8.981  13.711
  162    HD1  HIS  27           HD1      HIS  27   4.359   9.711  14.697
  163    HD2  HIS  27           HD2      HIS  27   4.734   8.063  10.901
  164    HE1  HIS  27           HE1      HIS  27   6.728  10.176  13.992
  165    H    ASP  28           H        ASP  28   0.535   5.619  12.343
  166    HA   ASP  28           HA       ASP  28   1.951   3.673  10.895
  167    HB2  ASP  28           HB2      ASP  28  -0.297   3.160  11.275
  168    HB3  ASP  28           HB3      ASP  28  -0.849   4.747  10.746
  169    H    CYS  29           H        CYS  29   3.307   4.010   9.272
  170    HA   CYS  29           HA       CYS  29   2.682   6.146   7.339
  171    HB2  CYS  29           HB2      CYS  29   5.184   6.155   6.904
  172    HB3  CYS  29           HB3      CYS  29   4.672   6.793   8.463
  173    H    GLY  30           H        GLY  30   1.858   3.302   7.339
  174    HA2  GLY  30           HA2      GLY  30   3.327   1.700   5.619
  175    HA3  GLY  30           HA3      GLY  30   1.577   1.651   5.768
  176    H    SER  31           H        SER  31   1.820   4.656   4.906
  177    HA   SER  31           HA       SER  31   0.835   4.504   2.389
  178    HB2  SER  31           HB2      SER  31   1.797   6.797   2.001
  179    HB3  SER  31           HB3      SER  31   0.923   6.625   3.523
  180    HG   SER  31           HG       SER  31   2.896   7.688   3.853
  181    H    ASP  32           H        ASP  32   4.219   5.516   2.797
  182    HA   ASP  32           HA       ASP  32   4.861   4.036   0.335
  183    HB2  ASP  32           HB2      ASP  32   6.906   5.639   0.367
  184    HB3  ASP  32           HB3      ASP  32   5.339   6.269  -0.132
  185    H    HIS  33           H        HIS  33   4.774   2.836   2.961
  186    HA   HIS  33           HA       HIS  33   7.481   1.770   3.008
  187    HB2  HIS  33           HB2      HIS  33   6.167   2.801   5.530
  188    HB3  HIS  33           HB3      HIS  33   7.751   2.040   5.407
  189    HD1  HIS  33           HD1      HIS  33   6.521   5.194   6.007
  190    HD2  HIS  33           HD2      HIS  33   9.247   3.761   3.218
  191    HE1  HIS  33           HE1      HIS  33   7.885   7.189   5.314
  192    H    TRP  34           H        TRP  34   7.242  -0.351   2.852
  193    HA   TRP  34           HA       TRP  34   4.955  -1.613   4.218
  194    HB2  TRP  34           HB2      TRP  34   5.500  -3.462   2.390
  195    HB3  TRP  34           HB3      TRP  34   4.456  -2.090   2.030
  196    HD1  TRP  34           HD1      TRP  34   5.008  -1.001  -0.206
  197    HE1  TRP  34           HE1      TRP  34   7.115  -0.705  -1.655
  198    HE3  TRP  34           HE3      TRP  34   8.414  -3.305   2.832
  199    HZ2  TRP  34           HZ2      TRP  34   9.857  -1.362  -1.527
  200    HZ3  TRP  34           HZ3      TRP  34  10.758  -3.429   2.095
  201    HH2  TRP  34           HH2      TRP  34  11.463  -2.478  -0.040
  202    H    CYS  35           H        CYS  35   5.400  -4.048   4.576
  203    HA   CYS  35           HA       CYS  35   8.049  -4.265   5.833
  204    HB2  CYS  35           HB2      CYS  35   5.355  -5.386   6.493
  205    HB3  CYS  35           HB3      CYS  35   6.793  -6.264   7.004
  206    H    ASP  36           H        ASP  36   8.818  -6.619   6.010
  207    HA   ASP  36           HA       ASP  36   9.535  -7.583   3.544
  208    HB2  ASP  36           HB2      ASP  36   9.402  -8.795   6.266
  209    HB3  ASP  36           HB3      ASP  36   9.696  -9.866   4.899
  210    H    ALA  37           H        ALA  37   6.700  -8.438   5.463
  211    HA   ALA  37           HA       ALA  37   5.798 -10.293   3.395
  212    HB1  ALA  37           HB1      ALA  37   4.088  -9.750   5.742
  213    HB2  ALA  37           HB2      ALA  37   4.502 -11.279   4.966
  214    HB3  ALA  37           HB3      ALA  37   5.649 -10.507   6.061
  215    H    SER  38           H        SER  38   4.455  -9.688   1.837
  216    HA   SER  38           HA       SER  38   3.505  -7.080   1.522
  217    HB2  SER  38           HB2      SER  38   2.013  -8.109  -0.253
  218    HB3  SER  38           HB3      SER  38   3.735  -8.449  -0.421
  219    HG   SER  38           HG       SER  38   2.015 -10.210   0.960
  220    H    GLY  39           H        GLY  39   2.547  -6.668   3.628
  221    HA2  GLY  39           HA2      GLY  39  -0.209  -6.562   3.623
  222    HA3  GLY  39           HA3      GLY  39   0.196  -8.048   4.471
  223    H    ASP  40           H        ASP  40   2.741  -6.689   5.417
  224    HA   ASP  40           HA       ASP  40   1.534  -5.494   7.783
  225    HB2  ASP  40           HB2      ASP  40   4.155  -6.722   7.121
  226    HB3  ASP  40           HB3      ASP  40   4.161  -5.457   8.347
  227    H    ARG  41           H        ARG  41   1.613  -3.387   8.291
  228    HA   ARG  41           HA       ARG  41   2.850  -1.579   6.353
  229    HB2  ARG  41           HB2      ARG  41   1.488   0.032   8.093
  230    HB3  ARG  41           HB3      ARG  41   0.830  -0.621   6.600
  231    HG2  ARG  41           HG2      ARG  41  -0.178  -2.457   7.796
  232    HG3  ARG  41           HG3      ARG  41   0.570  -1.922   9.302
  233    HD2  ARG  41           HD2      ARG  41  -1.507  -1.004   9.549
  234    HD3  ARG  41           HD3      ARG  41  -0.686   0.322   8.727
  235    HE   ARG  41           HE       ARG  41  -2.773  -1.373   7.656
  236   HH11  ARG  41          HH11      ARG  41  -0.239   0.917   6.980
  237   HH12  ARG  41          HH12      ARG  41  -0.894   1.386   5.446
  238   HH21  ARG  41          HH21      ARG  41  -3.645  -0.763   5.638
  239   HH22  ARG  41          HH22      ARG  41  -2.831   0.430   4.684
  240    H    CYS  42           H        CYS  42   4.541  -0.300   6.820
  241    HA   CYS  42           HA       CYS  42   5.937  -0.725   9.305
  242    HB2  CYS  42           HB2      CYS  42   6.529   0.585   6.703
  243    HB3  CYS  42           HB3      CYS  42   7.421   1.160   8.108
  244    H    CYS  43           H        CYS  43   5.852   0.508  11.063
  245    HA   CYS  43           HA       CYS  43   4.377   3.036  10.921
  246    HB2  CYS  43           HB2      CYS  43   4.976   1.093  13.126
  247    HB3  CYS  43           HB3      CYS  43   4.548   2.756  13.514
  248    H    CYS  44           H        CYS  44   5.275   4.968  11.402
  249    HA   CYS  44           HA       CYS  44   8.153   4.974  12.022
  250    HB2  CYS  44           HB2      CYS  44   6.533   7.159  10.700
  251    HB3  CYS  44           HB3      CYS  44   8.281   7.123  10.904
  252    H    ALA  45           H        ALA  45   8.868   5.952  13.818
  253    HA   ALA  45           HA       ALA  45   6.950   6.909  15.738
  254    HB1  ALA  45           HB1      ALA  45   9.825   7.266  16.288
  255    HB2  ALA  45           HB2      ALA  45   8.553   6.566  17.290
  256    HB3  ALA  45           HB3      ALA  45   9.288   5.610  16.004
  Start of MODEL   10
    1    H    CYS   1           H        CYS   1   0.566   1.269  -0.619
    2    HA   CYS   1           HA       CYS   1   1.377   1.105  -3.287
    3    HB2  CYS   1           HB2      CYS   1   3.604   1.601  -2.492
    4    HB3  CYS   1           HB3      CYS   1   2.446   2.529  -1.545
    5    H    TYR   2           H        TYR   2   3.506  -0.143  -3.862
    6    HA   TYR   2           HA       TYR   2   3.181  -2.950  -3.026
    7    HB2  TYR   2           HB2      TYR   2   2.808  -1.843  -5.611
    8    HB3  TYR   2           HB3      TYR   2   4.286  -2.796  -5.663
    9    HD1  TYR   2           HD1      TYR   2   3.617  -4.652  -6.941
   10    HD2  TYR   2           HD2      TYR   2   1.265  -3.449  -3.605
   11    HE1  TYR   2           HE1      TYR   2   2.286  -6.709  -7.145
   12    HE2  TYR   2           HE2      TYR   2  -0.072  -5.504  -3.800
   13    HH   TYR   2           HH       TYR   2  -0.241  -7.503  -4.798
   14    HA   PRO   3           HA       PRO   3   7.481  -3.095  -2.170
   15    HB2  PRO   3           HB2      PRO   3   8.124  -5.616  -2.945
   16    HB3  PRO   3           HB3      PRO   3   7.167  -5.270  -1.500
   17    HG2  PRO   3           HG2      PRO   3   6.250  -6.114  -4.222
   18    HG3  PRO   3           HG3      PRO   3   5.699  -6.674  -2.632
   19    HD2  PRO   3           HD2      PRO   3   4.322  -4.859  -4.096
   20    HD3  PRO   3           HD3      PRO   3   4.335  -4.842  -2.320
   21    H    GLY   4           H        GLY   4   7.872  -1.479  -3.925
   22    HA2  GLY   4           HA2      GLY   4  10.030  -1.596  -5.341
   23    HA3  GLY   4           HA3      GLY   4   9.061  -2.672  -6.337
   24    H    GLN   5           H        GLN   5   7.006  -0.428  -5.060
   25    HA   GLN   5           HA       GLN   5   6.699   0.906  -7.574
   26    HB2  GLN   5           HB2      GLN   5   5.379   1.423  -4.904
   27    HB3  GLN   5           HB3      GLN   5   4.892   2.147  -6.430
   28    HG2  GLN   5           HG2      GLN   5   4.605  -0.272  -7.245
   29    HG3  GLN   5           HG3      GLN   5   4.646  -0.696  -5.535
   30   HE21  GLN   5          HE21      GLN   5   2.565  -0.459  -7.854
   31   HE22  GLN   5          HE22      GLN   5   1.206   0.251  -7.058
   32    HA   PRO   6           HA       PRO   6   9.182   4.476  -6.990
   33    HB2  PRO   6           HB2      PRO   6   7.701   6.374  -8.245
   34    HB3  PRO   6           HB3      PRO   6   8.573   5.106  -9.114
   35    HG2  PRO   6           HG2      PRO   6   5.674   5.250  -8.382
   36    HG3  PRO   6           HG3      PRO   6   6.419   4.732  -9.905
   37    HD2  PRO   6           HD2      PRO   6   5.519   2.975  -8.051
   38    HD3  PRO   6           HD3      PRO   6   6.914   2.632  -9.094
   39    H    GLY   7           H        GLY   7   8.809   4.462  -4.635
   40    HA2  GLY   7           HA2      GLY   7   8.468   6.731  -3.372
   41    HA3  GLY   7           HA3      GLY   7   6.782   6.359  -3.696
   42    H    CYS   8           H        CYS   8   7.249   3.458  -3.382
   43    HA   CYS   8           HA       CYS   8   7.143   3.417  -0.460
   44    HB2  CYS   8           HB2      CYS   8   5.416   2.339  -2.156
   45    HB3  CYS   8           HB3      CYS   8   6.563   1.003  -2.120
   46    H    GLY   9           H        GLY   9   8.197   1.670   0.719
   47    HA2  GLY   9           HA2      GLY   9  10.132  -0.034  -0.375
   48    HA3  GLY   9           HA3      GLY   9  10.934   1.459   0.091
   49    H    HIS  10           H        HIS  10  11.993  -0.405   1.412
   50    HA   HIS  10           HA       HIS  10  10.604  -1.389   3.685
   51    HB2  HIS  10           HB2      HIS  10  12.792  -2.249   2.552
   52    HB3  HIS  10           HB3      HIS  10  13.589  -1.087   3.608
   53    HD1  HIS  10           HD1      HIS  10  14.735  -2.909   5.003
   54    HD2  HIS  10           HD2      HIS  10  10.590  -3.184   4.973
   55    HE1  HIS  10           HE1      HIS  10  14.158  -4.559   6.811
   56    H    CYS  11           H        CYS  11  10.057  -0.350   5.476
   57    HA   CYS  11           HA       CYS  11  10.704   2.348   5.954
   58    HB2  CYS  11           HB2      CYS  11   9.531   2.091   8.054
   59    HB3  CYS  11           HB3      CYS  11   8.660   1.210   6.802
   60    H    SER  12           H        SER  12  11.688   3.132   8.040
   61    HA   SER  12           HA       SER  12  13.778   1.455   9.149
   62    HB2  SER  12           HB2      SER  12  14.364   3.899   7.480
   63    HB3  SER  12           HB3      SER  12  15.508   3.278   8.669
   64    HG   SER  12           HG       SER  12  15.629   2.516   6.362
   65    H    ARG  13           H        ARG  13  14.577   2.198  11.124
   66    HA   ARG  13           HA       ARG  13  12.938   3.405  12.887
   67    HB2  ARG  13           HB2      ARG  13  15.952   3.576  12.791
   68    HB3  ARG  13           HB3      ARG  13  14.994   4.078  14.177
   69    HG2  ARG  13           HG2      ARG  13  14.145   1.479  13.513
   70    HG3  ARG  13           HG3      ARG  13  15.909   1.471  13.467
   71    HD2  ARG  13           HD2      ARG  13  15.504   2.867  15.732
   72    HD3  ARG  13           HD3      ARG  13  14.066   1.847  15.741
   73    HE   ARG  13           HE       ARG  13  15.395   0.082  16.295
   74   HH11  ARG  13          HH11      ARG  13  17.379   2.555  14.857
   75   HH12  ARG  13          HH12      ARG  13  18.866   1.718  15.154
   76   HH21  ARG  13          HH21      ARG  13  17.347  -1.031  16.691
   77   HH22  ARG  13          HH22      ARG  13  18.847  -0.322  16.196
   78    HA   PRO  14           HA       PRO  14  12.924   4.738  14.720
   79    HB2  PRO  14           HB2      PRO  14  10.775   6.301  15.277
   80    HB3  PRO  14           HB3      PRO  14  12.433   6.775  15.664
   81    HG2  PRO  14           HG2      PRO  14  10.724   7.585  13.343
   82    HG3  PRO  14           HG3      PRO  14  11.791   8.582  14.349
   83    HD2  PRO  14           HD2      PRO  14  12.518   7.684  11.900
   84    HD3  PRO  14           HD3      PRO  14  13.686   7.921  13.216
   85    H    ASN  15           H        ASN  15  11.839   4.467  11.742
   86    HA   ASN  15           HA       ASN  15   9.144   3.535  12.247
   87    HB2  ASN  15           HB2      ASN  15  10.592   3.040   9.673
   88    HB3  ASN  15           HB3      ASN  15   8.889   3.400   9.943
   89   HD21  ASN  15          HD21      ASN  15  10.733   4.637   8.095
   90   HD22  ASN  15          HD22      ASN  15  10.781   6.316   8.498
   91    H    TYR  16           H        TYR  16   8.442   1.419  12.177
   92    HA   TYR  16           HA       TYR  16  10.422  -0.700  11.831
   93    HB2  TYR  16           HB2      TYR  16  10.036  -1.722  13.921
   94    HB3  TYR  16           HB3      TYR  16  10.246  -0.014  14.290
   95    HD1  TYR  16           HD1      TYR  16   8.196   1.394  14.720
   96    HD2  TYR  16           HD2      TYR  16   8.045  -2.852  14.491
   97    HE1  TYR  16           HE1      TYR  16   6.029   1.414  15.882
   98    HE2  TYR  16           HE2      TYR  16   5.877  -2.843  15.652
   99    HH   TYR  16           HH       TYR  16   4.682  -0.187  17.292
  100    H    CYS  17           H        CYS  17   9.034  -2.889  12.452
  101    HA   CYS  17           HA       CYS  17   6.924  -2.886  10.449
  102    HB2  CYS  17           HB2      CYS  17   8.655  -4.926  11.723
  103    HB3  CYS  17           HB3      CYS  17   7.041  -5.458  11.263
  104    H    GLU  18           H        GLU  18   4.806  -3.026  10.865
  105    HA   GLU  18           HA       GLU  18   3.880  -3.957  13.466
  106    HB2  GLU  18           HB2      GLU  18   4.264  -1.380  13.414
  107    HB3  GLU  18           HB3      GLU  18   2.799  -1.352  12.444
  108    HG2  GLU  18           HG2      GLU  18   2.698  -1.049  15.035
  109    HG3  GLU  18           HG3      GLU  18   1.461  -1.973  14.185
  110    H    GLY  19           H        GLY  19   2.393  -5.437  13.025
  111    HA2  GLY  19           HA2      GLY  19   1.005  -5.450  10.491
  112    HA3  GLY  19           HA3      GLY  19   0.871  -6.654  11.763
  113    H    ALA  20           H        ALA  20   0.404  -4.106  13.543
  114    HA   ALA  20           HA       ALA  20  -2.423  -3.722  12.822
  115    HB1  ALA  20           HB1      ALA  20  -3.210  -4.338  14.857
  116    HB2  ALA  20           HB2      ALA  20  -1.766  -5.350  14.830
  117    HB3  ALA  20           HB3      ALA  20  -1.753  -3.818  15.703
  118    H    ARG  21           H        ARG  21  -3.040  -2.091  15.046
  119    HA   ARG  21           HA       ARG  21  -2.184   0.421  14.100
  120    HB2  ARG  21           HB2      ARG  21  -3.612  -0.453  16.602
  121    HB3  ARG  21           HB3      ARG  21  -3.207   1.233  16.311
  122    HG2  ARG  21           HG2      ARG  21  -4.457   0.262  13.974
  123    HG3  ARG  21           HG3      ARG  21  -5.424  -0.267  15.352
  124    HD2  ARG  21           HD2      ARG  21  -5.881   1.890  16.029
  125    HD3  ARG  21           HD3      ARG  21  -4.452   2.552  15.236
  126    HE   ARG  21           HE       ARG  21  -6.238   1.529  13.306
  127   HH11  ARG  21          HH11      ARG  21  -5.859   4.183  15.528
  128   HH12  ARG  21          HH12      ARG  21  -6.805   5.282  14.580
  129   HH21  ARG  21          HH21      ARG  21  -7.486   2.967  12.049
  130   HH22  ARG  21          HH22      ARG  21  -7.731   4.589  12.602
  131    H    CYS  22           H        CYS  22  -0.480   1.656  14.587
  132    HA   CYS  22           HA       CYS  22   1.754   0.691  15.916
  133    HB2  CYS  22           HB2      CYS  22   1.182   3.637  15.780
  134    HB3  CYS  22           HB3      CYS  22   2.719   2.798  15.590
  135    H    GLU  23           H        GLU  23   2.784   1.496  17.887
  136    HA   GLU  23           HA       GLU  23   1.005   1.344  20.109
  137    HB2  GLU  23           HB2      GLU  23   3.801   2.287  20.488
  138    HB3  GLU  23           HB3      GLU  23   2.878   1.107  21.410
  139    HG2  GLU  23           HG2      GLU  23   3.103  -0.193  19.063
  140    HG3  GLU  23           HG3      GLU  23   4.594   0.747  19.050
  141    H    SER  24           H        SER  24   0.846   2.924  21.836
  142    HA   SER  24           HA       SER  24   0.021   5.432  20.975
  143    HB2  SER  24           HB2      SER  24   0.727   4.302  23.661
  144    HB3  SER  24           HB3      SER  24   0.372   6.022  23.506
  145    HG   SER  24           HG       SER  24  -1.619   5.356  23.690
  146    H    GLY  25           H        GLY  25   1.723   6.196  19.606
  147    HA2  GLY  25           HA2      GLY  25   3.241   8.243  20.492
  148    HA3  GLY  25           HA3      GLY  25   4.282   6.858  20.787
  149    H    PHE  26           H        PHE  26   3.337   5.385  18.458
  150    HA   PHE  26           HA       PHE  26   4.931   6.797  16.457
  151    HB2  PHE  26           HB2      PHE  26   3.971   3.935  16.619
  152    HB3  PHE  26           HB3      PHE  26   4.884   4.589  15.263
  153    HD1  PHE  26           HD1      PHE  26   5.184   4.744  18.983
  154    HD2  PHE  26           HD2      PHE  26   7.068   3.916  15.257
  155    HE1  PHE  26           HE1      PHE  26   7.284   4.239  20.161
  156    HE2  PHE  26           HE2      PHE  26   9.171   3.410  16.429
  157    HZ   PHE  26           HZ       PHE  26   9.281   3.570  18.884
  158    H    HIS  27           H        HIS  27   4.153   6.179  14.097
  159    HA   HIS  27           HA       HIS  27   1.249   6.534  13.890
  160    HB2  HIS  27           HB2      HIS  27   1.871   8.166  11.931
  161    HB3  HIS  27           HB3      HIS  27   1.825   8.755  13.590
  162    HD1  HIS  27           HD1      HIS  27   4.005   9.565  14.611
  163    HD2  HIS  27           HD2      HIS  27   4.485   7.879  10.844
  164    HE1  HIS  27           HE1      HIS  27   6.363  10.111  13.925
  165    H    ASP  28           H        ASP  28   0.337   5.313  12.356
  166    HA   ASP  28           HA       ASP  28   1.819   3.358  10.978
  167    HB2  ASP  28           HB2      ASP  28  -0.396   2.758  11.383
  168    HB3  ASP  28           HB3      ASP  28  -1.021   4.312  10.838
  169    H    CYS  29           H        CYS  29   3.205   3.768   9.390
  170    HA   CYS  29           HA       CYS  29   2.471   5.789   7.374
  171    HB2  CYS  29           HB2      CYS  29   4.971   5.846   6.911
  172    HB3  CYS  29           HB3      CYS  29   4.452   6.527   8.450
  173    H    GLY  30           H        GLY  30   1.752   2.905   7.481
  174    HA2  GLY  30           HA2      GLY  30   3.245   1.311   5.777
  175    HA3  GLY  30           HA3      GLY  30   1.500   1.204   5.960
  176    H    SER  31           H        SER  31   1.619   4.190   5.008
  177    HA   SER  31           HA       SER  31   0.605   3.917   2.508
  178    HB2  SER  31           HB2      SER  31   2.445   6.167   3.356
  179    HB3  SER  31           HB3      SER  31   1.236   6.232   2.074
  180    HG   SER  31           HG       SER  31   0.622   7.109   4.203
  181    H    ASP  32           H        ASP  32   3.934   5.116   2.844
  182    HA   ASP  32           HA       ASP  32   4.620   3.629   0.399
  183    HB2  ASP  32           HB2      ASP  32   6.663   5.338   0.595
  184    HB3  ASP  32           HB3      ASP  32   5.143   5.780  -0.178
  185    H    HIS  33           H        HIS  33   4.585   2.468   3.064
  186    HA   HIS  33           HA       HIS  33   7.321   1.469   3.086
  187    HB2  HIS  33           HB2      HIS  33   5.991   2.504   5.598
  188    HB3  HIS  33           HB3      HIS  33   7.579   1.749   5.496
  189    HD1  HIS  33           HD1      HIS  33   6.362   4.896   6.079
  190    HD2  HIS  33           HD2      HIS  33   9.048   3.454   3.255
  191    HE1  HIS  33           HE1      HIS  33   7.713   6.890   5.355
  192    H    TRP  34           H        TRP  34   7.138  -0.658   2.936
  193    HA   TRP  34           HA       TRP  34   4.903  -1.978   4.334
  194    HB2  TRP  34           HB2      TRP  34   5.480  -3.819   2.507
  195    HB3  TRP  34           HB3      TRP  34   4.391  -2.479   2.155
  196    HD1  TRP  34           HD1      TRP  34   4.910  -1.271  -0.032
  197    HE1  TRP  34           HE1      TRP  34   6.979  -0.963  -1.531
  198    HE3  TRP  34           HE3      TRP  34   8.358  -3.731   2.830
  199    HZ2  TRP  34           HZ2      TRP  34   9.712  -1.670  -1.504
  200    HZ3  TRP  34           HZ3      TRP  34  10.678  -3.870   2.021
  201    HH2  TRP  34           HH2      TRP  34  11.339  -2.861  -0.101
  202    H    CYS  35           H        CYS  35   5.370  -4.309   4.868
  203    HA   CYS  35           HA       CYS  35   8.062  -4.478   6.021
  204    HB2  CYS  35           HB2      CYS  35   5.405  -5.649   6.753
  205    HB3  CYS  35           HB3      CYS  35   6.877  -6.466   7.270
  206    H    ASP  36           H        ASP  36   8.823  -6.855   6.269
  207    HA   ASP  36           HA       ASP  36   9.533  -7.851   3.801
  208    HB2  ASP  36           HB2      ASP  36   9.466  -9.003   6.552
  209    HB3  ASP  36           HB3      ASP  36   9.762 -10.096   5.203
  210    H    ALA  37           H        ALA  37   6.748  -8.702   5.794
  211    HA   ALA  37           HA       ALA  37   5.837 -10.625   3.793
  212    HB1  ALA  37           HB1      ALA  37   4.188 -10.023   6.178
  213    HB2  ALA  37           HB2      ALA  37   4.548 -11.568   5.406
  214    HB3  ALA  37           HB3      ALA  37   5.747 -10.802   6.448
  215    H    SER  38           H        SER  38   4.475 -10.070   2.234
  216    HA   SER  38           HA       SER  38   3.475  -7.489   1.871
  217    HB2  SER  38           HB2      SER  38   2.565 -10.115   0.673
  218    HB3  SER  38           HB3      SER  38   2.020  -8.533   0.114
  219    HG   SER  38           HG       SER  38   3.879  -8.228  -0.841
  220    H    GLY  39           H        GLY  39   2.540  -7.036   3.977
  221    HA2  GLY  39           HA2      GLY  39  -0.216  -6.973   4.013
  222    HA3  GLY  39           HA3      GLY  39   0.222  -8.431   4.889
  223    H    ASP  40           H        ASP  40   2.760  -7.017   5.767
  224    HA   ASP  40           HA       ASP  40   1.576  -5.794   8.127
  225    HB2  ASP  40           HB2      ASP  40   4.217  -6.960   7.431
  226    HB3  ASP  40           HB3      ASP  40   4.209  -5.676   8.636
  227    H    ARG  41           H        ARG  41   1.566  -3.674   8.558
  228    HA   ARG  41           HA       ARG  41   2.730  -1.876   6.569
  229    HB2  ARG  41           HB2      ARG  41   1.347  -0.277   8.317
  230    HB3  ARG  41           HB3      ARG  41   0.697  -0.955   6.830
  231    HG2  ARG  41           HG2      ARG  41  -0.272  -2.797   8.029
  232    HG3  ARG  41           HG3      ARG  41   0.496  -2.271   9.529
  233    HD2  ARG  41           HD2      ARG  41  -1.640  -1.438   9.777
  234    HD3  ARG  41           HD3      ARG  41  -0.792  -0.053   9.091
  235    HE   ARG  41           HE       ARG  41  -2.843  -1.651   7.819
  236   HH11  ARG  41          HH11      ARG  41  -0.291   0.683   7.416
  237   HH12  ARG  41          HH12      ARG  41  -0.896   1.277   5.905
  238   HH21  ARG  41          HH21      ARG  41  -3.649  -0.877   5.831
  239   HH22  ARG  41          HH22      ARG  41  -2.806   0.390   5.005
  240    H    CYS  42           H        CYS  42   4.398  -0.550   6.975
  241    HA   CYS  42           HA       CYS  42   5.850  -0.876   9.440
  242    HB2  CYS  42           HB2      CYS  42   6.344   0.432   6.812
  243    HB3  CYS  42           HB3      CYS  42   7.261   1.020   8.195
  244    H    CYS  43           H        CYS  43   5.775   0.392  11.175
  245    HA   CYS  43           HA       CYS  43   4.225   2.877  11.014
  246    HB2  CYS  43           HB2      CYS  43   4.880   0.979  13.244
  247    HB3  CYS  43           HB3      CYS  43   4.408   2.636  13.607
  248    H    CYS  44           H        CYS  44   5.102   4.828  11.404
  249    HA   CYS  44           HA       CYS  44   7.974   4.902  12.042
  250    HB2  CYS  44           HB2      CYS  44   6.317   7.025  10.666
  251    HB3  CYS  44           HB3      CYS  44   8.065   7.026  10.873
  252    H    ALA  45           H        ALA  45   8.674   5.945  13.809
  253    HA   ALA  45           HA       ALA  45   6.737   6.906  15.709
  254    HB1  ALA  45           HB1      ALA  45   9.605   7.338  16.242
  255    HB2  ALA  45           HB2      ALA  45   8.350   6.640  17.266
  256    HB3  ALA  45           HB3      ALA  45   9.102   5.664  16.004