*HEADER    IMMUNE SYSTEM                           11-JUN-18   6DRI              
*TITLE     NMR SOLUTION STRUCTURE OF ACAN1 FROM THE ANCYLOSTOMA CANINUM HOOKWORM 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACAN1;                                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ANCYLOSTOMA CANINUM;                            
*SOURCE   4 ORGANISM_COMMON: DOG HOOKWORM;                                       
*SOURCE   5 ORGANISM_TAXID: 29170                                                
*KEYWDS    DISULFIDE-RICH PEPTIDE, IMMUNE SYSTEM                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.B.SMALLWOOD,K.J.ROSENGREN,R.J.CLARK                                 
*REVDAT   1   19-JUN-19 6DRI    0                                                
# Restraints file 1: restraints.tbl
!Unambig.tbl
!# 35 VAL  H      35 VAL  QQG     3.21            #peak 4
!# 35 VAL  H      35 VAL  HB      3.17            #peak 5
!# 35 VAL  HB     36 THR  H       3.37            #peak 7
!# 35 VAL  QQG    36 THR  H       3.68            #peak 8
!# 36 THR  H      36 THR  HB      3.95            #peak 9
!# 36 THR  H      36 THR  QG2     4.57            #peak 11
!# 37 CYSS H      37 CYSS HB3     3.95            #peak 12
!# 37 CYSS H      37 CYSS HB2     3.95            #peak 13
!# 36 THR  HB     37 CYSS H       3.58            #peak 16
!# 36 THR  QG2    37 CYSS H       4.28            #peak 17
!# 37 CYSS HB3    38 GLY  H       5.50            #peak 20
!# 37 CYSS H      38 GLY  H       3.82            #peak 23
!#  5 ASP  H       5 ASP  HB3     3.86            #peak 30
!#  5 ASP  H       5 ASP  HB2     3.86            #peak 31
!#  4 ALA  H       4 ALA  QB      3.68            #peak 34
!#  4 ALA  HA      5 ASP  H       2.85            #peak 35
!#  4 ALA  QB      5 ASP  H       3.37            #peak 36
!#  6 GLU  H       6 GLU  HG3     4.49            #peak 38
!#  6 GLU  H       6 GLU  HB2     3.99            #peak 39
!#  6 GLU  H       6 GLU  HB3     3.99            #peak 40
!#  5 ASP  HA      6 GLU  H       3.35            #peak 41
!#  5 ASP  HB2     6 GLU  H       4.39            #peak 42
!#  5 ASP  HB3     6 GLU  H       4.39            #peak 43
!#  7 LYS  H       7 LYS  QG      3.83            #peak 45
!#  7 LYS  H       7 LYS  QD      4.44            #peak 47
!#  7 LYS  HA      8 ASN  H       3.29            #peak 48
!#  7 LYS  QB      8 ASN  H       3.89            #peak 49
!#  7 LYS  QG      8 ASN  H       4.53            #peak 50
!#  2 HIS  HA      3 CYSS H       3.00            #peak 51
!#  6 GLU  HA      7 LYS  H       2.89            #peak 55
!#  6 GLU  HG3     7 LYS  H       4.76            #peak 56
!#  6 GLU  HB2     7 LYS  H       4.63            #peak 57
!#  6 GLU  HB3     7 LYS  H       4.63            #peak 58
!#  9 PHE  H       9 PHE  HB2     3.52            #peak 59
!#  9 PHE  H       9 PHE  HB3     3.52            #peak 60
!#  8 ASN  HB3     9 PHE  H       4.73            #peak 127
!# 10 ASP  H      10 ASP  HB2     3.44            #peak 65
!# 10 ASP  H      10 ASP  HB3     3.44            #peak 66
!#  9 PHE  HB2    10 ASP  H       4.84            #peak 67
!#  9 PHE  HB3    10 ASP  H       4.84            #peak 68
!#  9 PHE  HA     10 ASP  H       3.00            #peak 69
!# 11 CYSS H      11 CYSS HB2     3.83            #peak 71
!# 11 CYSS H      11 CYSS HB3     3.83            #peak 72
!# 10 ASP  HB3    11 CYSS H       5.43            #peak 73
!# 10 ASP  HB2    11 CYSS H       5.43            #peak 74
!# 10 ASP  HA     11 CYSS H       3.23            #peak 75
!# 12 ARG  H      12 ARG  HG2     4.36            #peak 78
!# 12 ARG  H      12 ARG  HG3     4.36            #peak 79
!#  7 LYS  H       7 LYS  QB      3.59            #peak 44
!# 11 CYSS HB2    12 ARG  H       4.45            #peak 84
!# 11 CYSS HB3    12 ARG  H       4.45            #peak 85
!# 13 ARG  H      13 ARG  HG3     4.73            #peak 86
!# 13 ARG  H      13 ARG  HG2     4.73            #peak 87
!# 13 ARG  H      13 ARG  QB      2.90            #peak 88
!# 12 ARG  HG3    13 ARG  H       4.72            #peak 90
!# 12 ARG  HG2    13 ARG  H       4.72            #peak 91
!# 12 ARG  HB3    13 ARG  H       4.08            #peak 92
!# 12 ARG  HB2    13 ARG  H       4.08            #peak 93
!# 14 SER  H      14 SER  HB3     3.93            #peak 96
!# 13 ARG  QB     14 SER  H       3.30            #peak 98
!# 13 ARG  HG2    14 SER  H       4.88            #peak 99
!# 13 ARG  HG3    14 SER  H       4.88            #peak 100
!# 14 SER  H      14 SER  HB2     3.93            #peak 101
!# 15 LEU  H      15 LEU  HB3     3.31            #peak 103
!# 15 LEU  H      15 LEU  HB2     3.31            #peak 104
!# 15 LEU  H      15 LEU  QQD     4.23            #peak 105
!# 14 SER  HB3    15 LEU  H       4.51            #peak 106
!# 14 SER  HB2    15 LEU  H       4.51            #peak 107
!# 16 ARG  H      16 ARG  HG3     4.36            #peak 109
!# 16 ARG  H      16 ARG  HG2     4.36            #peak 110
!# 16 ARG  H      16 ARG  QB      3.21            #peak 111
!# 15 LEU  QQD    16 ARG  H       4.02            #peak 113
!# 15 LEU  HB2    16 ARG  H       3.79            #peak 114
!# 15 LEU  HB3    16 ARG  H       3.79            #peak 115
!# 17 ASN  H      17 ASN  HB2     3.61            #peak 118
!# 17 ASN  H      17 ASN  HB3     3.61            #peak 119
!# 16 ARG  QB     17 ASN  H       3.49            #peak 121
!# 16 ARG  HG2    17 ASN  H       5.19            #peak 122
!# 16 ARG  HG3    17 ASN  H       5.19            #peak 123
!# 19 ASP  H      19 ASP  HB3     3.85            #peak 140
!# 19 ASP  H      19 ASP  HB2     3.85            #peak 141
!# 20 CYSS H      20 CYSS HB2     3.72            #peak 144
!# 20 CYSS H      20 CYSS HB3     3.72            #peak 145
!# 19 ASP  HB3    20 CYSS H       4.62            #peak 154
!# 19 ASP  HB2    20 CYSS H       4.62            #peak 155
!# 21 ASP  H      21 ASP  HB2     4.00            #peak 157
!# 20 CYSS HB3    21 ASP  H       4.47            #peak 158
!# 21 ASP  H      21 ASP  HB3     4.00            #peak 159
!# 20 CYSS HB2    21 ASP  H       4.47            #peak 161
!# 22 ASN  H      22 ASN  HB3     3.88            #peak 162
!# 21 ASP  HB2    22 ASN  H       5.04            #peak 163
!# 21 ASP  HB3    22 ASN  H       5.04            #peak 164
!# 22 ASN  H      22 ASN  HB2     3.88            #peak 165
!# 23 ASP  H      23 ASP  QB      3.57            #peak 169
!# 22 ASN  HB3    23 ASP  H       4.89            #peak 171
!# 22 ASN  HB2    23 ASP  H       4.89            #peak 172
!# 22 ASN  HA     23 ASP  H       3.29            #peak 173
!# 32 TYR  H      32 TYR  HB2     4.08            #peak 182
!# 31 TYR  H      31 TYR  HB2     3.92            #peak 186
!# 23 ASP  QB     24 ASP  H       3.44            #peak 198
!# 33 CYSS HA     34 PRO  HD2     3.73            #peak 214
!# 33 CYSS HA     34 PRO  HD3     3.73            #peak 215
!# 25 LYS  HB3    25 LYS  HD2     4.07            #peak 499
!#  5 ASP  HA     33 CYSS HA      3.79            #peak 233
!#  5 ASP  HA     35 VAL  H       4.50            #peak 234
!# 34 PRO  HD2    35 VAL  H       4.60            #peak 236
!# 34 PRO  HD3    35 VAL  H       4.60            #peak 237
!# 34 PRO  HG3    35 VAL  H       3.94            #peak 238
!# 34 PRO  HG2    35 VAL  H       3.94            #peak 239
!# 19 ASP  H      20 CYSS H       3.82            #peak 241
!# 18 GLY  H      19 ASP  H       3.36            #peak 240
!# 20 CYSS H      21 ASP  H       3.56            #peak 246
!# 18 GLY  HA3    21 ASP  H       4.96            #peak 247
!# 18 GLY  HA2    21 ASP  H       4.96            #peak 248
!# 21 ASP  H      22 ASN  H       3.90            #peak 250
!#  3 CYSS QB      4 ALA  H       3.69            #peak 251
!# 23 ASP  H      24 ASP  H       4.24            #peak 257
!# 24 ASP  H      25 LYS  H       3.30            #peak 259
!# 25 LYS  H      25 LYS  HB2     3.76            #peak 263
!# 25 LYS  H      25 LYS  HB3     3.76            #peak 264
!# 25 LYS  H      25 LYS  HD2     4.57            #peak 265
!# 25 LYS  H      25 LYS  HD3     4.57            #peak 266
!# 25 LYS  H      25 LYS  QG      3.66            #peak 267
!# 29 MET  H      29 MET  QG      4.23            #peak 284
!# 28 GLU  H      28 GLU  HB3     3.85            #peak 286
!# 28 GLU  H      28 GLU  HB2     3.85            #peak 287
!# 28 GLU  H      28 GLU  HG2     4.93            #peak 288
!# 26 LEU  H      26 LEU  QD1     5.50            #peak 296
!# 26 LEU  H      26 LEU  QD2     5.50            #peak 297
!#  3 CYSS H       3 CYSS QB      3.59            #peak 299
!#  3 CYSS HA      4 ALA  H       3.47            #peak 305
!#  2 HIS  HB2     3 CYSS H       4.83            #peak 307
!# 30 GLY  H      31 TYR  H       3.98            #peak 308
!# 31 TYR  HA     31 TYR  QE      5.50            #peak 314
!# 31 TYR  HA     31 TYR  QD      3.87            #peak 315
!# 31 TYR  H      31 TYR  HB3     3.92            #peak 318
!# 31 TYR  HB2    32 TYR  H       4.02            #peak 319
!# 31 TYR  HB3    32 TYR  H       4.02            #peak 320
!# 31 TYR  H      32 TYR  H       3.71            #peak 321
!# 32 TYR  HA     32 TYR  QD      3.49            #peak 327
!# 32 TYR  H      32 TYR  HB3     4.08            #peak 328
!# 32 TYR  H      33 CYSS H       3.66            #peak 332
!# 32 TYR  HB3    33 CYSS H       4.36            #peak 333
!# 32 TYR  HB2    33 CYSS H       4.36            #peak 334
!# 29 MET  HA     32 TYR  H       4.79            #peak 335
!# 28 GLU  H      29 MET  H       4.01            #peak 339
!# 29 MET  H      30 GLY  H       4.15            #peak 337
!# 29 MET  HA     33 CYSS H       3.85            #peak 341
!# 29 MET  HB2    30 GLY  H       4.47            #peak 342
!# 28 GLU  H      28 GLU  HG3     4.93            #peak 344
!# 28 GLU  HB2    29 MET  H       4.42            #peak 345
!# 28 GLU  HB3    29 MET  H       4.42            #peak 346
!# 27 LEU  H      27 LEU  HG      4.04            #peak 349
!# 26 LEU  HB2    27 LEU  H       4.35            #peak 648
!# 27 LEU  HB2    28 GLU  H       4.86            #peak 354
!# 27 LEU  HG     28 GLU  H       5.50            #peak 355
!# 27 LEU  HB3    28 GLU  H       4.86            #peak 356
!# 27 LEU  H      28 GLU  H       4.00            #peak 360
!# 26 LEU  H      27 LEU  H       4.11            #peak 364
!# 25 LYS  H      26 LEU  H       3.34            #peak 366
!# 25 LYS  HB2    26 LEU  H       5.30            #peak 368
!# 25 LYS  HB3    26 LEU  H       5.30            #peak 369
!#  3 CYSS H       4 ALA  H       4.89            #peak 372
!#  1 GLU  QG      2 HIS  H       3.70            #peak 376
!#  1 GLU  QB      2 HIS  H       4.11            #peak 377
!# 39 PHE  H      40 CYSS H       3.68            #peak 379
!# 38 GLY  H      39 PHE  H       3.83            #peak 380
!#  7 LYS  H       7 LYS  QE      4.37            #peak 407
!#  7 LYS  HA      7 LYS  QE      4.69            #peak 417
!#  7 LYS  HA      7 LYS  QD      4.31            #peak 419
!#  7 LYS  HA      7 LYS  QG      3.92            #peak 420
!#  7 LYS  QB      7 LYS  QE      3.89            #peak 423
!#  7 LYS  QB      7 LYS  QD      3.89            #peak 427
!# 12 ARG  HA     12 ARG  HG2     4.20            #peak 440
!# 12 ARG  HA     12 ARG  HG3     4.20            #peak 441
!# 13 ARG  HA     13 ARG  HG2     3.88            #peak 449
!# 13 ARG  HA     13 ARG  HG3     3.88            #peak 450
!# 15 LEU  HA     15 LEU  QQD     3.21            #peak 460
!# 15 LEU  HB3    15 LEU  QQD     3.22            #peak 462
!# 15 LEU  HB2    15 LEU  QQD     3.22            #peak 463
!# 16 ARG  HA     16 ARG  HG2     4.13            #peak 465
!# 16 ARG  HA     16 ARG  HG3     4.13            #peak 466
!# 25 LYS  HA     25 LYS  HD2     5.42            #peak 494
!# 25 LYS  HA     25 LYS  HD3     5.42            #peak 495
!# 25 LYS  HB2    25 LYS  HD2     4.07            #peak 498
!# 25 LYS  HB3    25 LYS  HD3     4.07            #peak 500
!# 25 LYS  HB2    25 LYS  HD3     4.07            #peak 501
!# 27 LEU  HA     27 LEU  HG      3.84            #peak 524
!# 27 LEU  HA     27 LEU  QD1     4.46            #peak 525
!# 27 LEU  HA     27 LEU  QD2     4.46            #peak 526
!# 28 GLU  HA     28 GLU  HG3     4.13            #peak 537
!# 28 GLU  HA     28 GLU  HG2     4.13            #peak 543
!# 29 MET  HA     29 MET  QG      4.00            #peak 547
!# 11 CYSS HB2    33 CYSS HA      5.50            #peak 558
!# 35 VAL  HA     35 VAL  QQG     2.86            #peak 564
!# 36 THR  HA     36 THR  QG2     3.47            #peak 568
!#  2 HIS  HB3     3 CYSS H       4.83            #peak 589
!#  6 GLU  H       6 GLU  HG2     4.49            #peak 595
!#  6 GLU  HG2     7 LYS  H       4.76            #peak 596
!#  8 ASN  HB2     9 PHE  H       4.73            #peak 602
!# 12 ARG  H      12 ARG  QD      4.87            #peak 618
!# 12 ARG  HB2    12 ARG  HE      4.86            #peak 619
!# 12 ARG  HB3    12 ARG  HE      4.86            #peak 620
!# 13 ARG  QB     13 ARG  QD      3.45            #peak 623
!# 13 ARG  QB     13 ARG  HE      3.95            #peak 628
!# 16 ARG  QB     16 ARG  HE      4.55            #peak 632
!# 16 ARG  QB     16 ARG  QD      3.52            #peak 635
!# 25 LYS  QG     25 LYS  HE3     4.18            #peak 646
!# 25 LYS  QG     25 LYS  HE2     4.18            #peak 647
!# 26 LEU  HB3    27 LEU  H       4.35            #peak 649
!# 29 MET  HA     29 MET  QE      3.26            #peak 650
!# 29 MET  QG     29 MET  QE      3.53            #peak 651
!# 32 TYR  HA     32 TYR  QE      4.34            #peak 654
!# 31 TYR  QD     32 TYR  QE      5.03            #peak 655
!# 31 TYR  QD     32 TYR  QD      5.28            #peak 656
!# 33 CYSS HA     36 THR  HB      4.56            #peak 887
!# 36 THR  H      37 CYSS H       4.22            #peak 662
!# 39 PHE  HA     39 PHE  QD      3.85            #peak 667
!# 13 ARG  HE     14 SER  H       5.50            #peak 671
!# 12 ARG  HB2    12 ARG  QD      3.96            #peak 676
!# 12 ARG  HB3    12 ARG  QD      3.96            #peak 677
!# 27 LEU  QD2    29 MET  H       5.50            #peak 680
!# 27 LEU  QD1    29 MET  H       5.50            #peak 681
!#  6 GLU  H      32 TYR  HA      4.28            #peak 684
!# 34 PRO  HA     39 PHE  H       4.53            #peak 688
!#  6 GLU  HA      8 ASN  H       5.50            #peak 689
!# 33 CYSS H      34 PRO  HD3     4.12            #peak 691
!# 12 ARG  HA     15 LEU  H       4.06            #peak 692
!# 14 SER  HA     19 ASP  H       4.06            #peak 693
!#  3 CYSS H       4 ALA  QB      5.18            #peak 695
!#  1 GLU  QG      3 CYSS H       4.18            #peak 696
!#  1 GLU  QB      3 CYSS H       5.07            #peak 697
!#  5 ASP  H      35 VAL  QQG     3.37            #peak 699
!# 12 ARG  H      36 THR  QG2     5.13            #peak 701
!#  5 ASP  H      35 VAL  HB      4.01            #peak 703
!# 11 CYSS H      36 THR  QG2     5.50            #peak 704
!# 29 MET  HB3    30 GLY  H       4.47            #peak 707
!#  5 ASP  H      35 VAL  HA      5.50            #peak 711
!#  9 PHE  HA     11 CYSS H       5.46            #peak 712
!# 17 ASN  HA     19 ASP  H       4.85            #peak 716
!#  6 GLU  H      33 CYSS HA      4.50            #peak 718
!#  6 GLU  H      32 TYR  QD      5.50            #peak 719
!# 32 TYR  H      32 TYR  QD      4.06            #peak 720
!# 31 TYR  QD     32 TYR  H       4.97            #peak 721
!# 35 VAL  H      36 THR  H       3.40            #peak 724
!#  8 ASN  H       9 PHE  H       3.67            #peak 725
!# 12 ARG  H      13 ARG  H       3.44            #peak 726
!# 39 PHE  H      39 PHE  QD      4.84            #peak 727
!# 12 ARG  H      14 SER  H       5.22            #peak 728
!# 24 ASP  H      26 LEU  H       4.91            #peak 729
!# 23 ASP  H      25 LYS  H       5.50            #peak 730
!#  5 ASP  H       6 GLU  H       5.50            #peak 731
!# 11 CYSS H      12 ARG  H       3.93            #peak 732
!# 17 ASN  H      19 ASP  H       4.98            #peak 733
!# 14 SER  H      15 LEU  H       3.67            #peak 734
!# 17 ASN  H      18 GLY  H       3.57            #peak 735
!# 16 ARG  H      17 ASN  H       3.89            #peak 736
!# 13 ARG  H      15 LEU  H       5.34            #peak 737
!# 18 GLY  H      20 CYSS H       5.50            #peak 738
!# 35 VAL  H      37 CYSS H       5.50            #peak 739
!# 13 ARG  H      14 SER  H       3.76            #peak 740
!#  9 PHE  QD     10 ASP  H       4.42            #peak 743
!# 11 CYSS HA     15 LEU  H       4.52            #peak 744
!# 34 PRO  HA     37 CYSS H       4.59            #peak 745
!# 13 ARG  HA     17 ASN  H       4.86            #peak 746
!# 13 ARG  HA     16 ARG  H       3.80            #peak 747
!# 14 SER  HA     17 ASN  H       4.06            #peak 748
!#  4 ALA  HA     35 VAL  H       5.09            #peak 750
!# 12 ARG  HA     16 ARG  H       4.48            #peak 751
!# 34 PRO  HA     38 GLY  H       5.40            #peak 752
!# 12 ARG  HA     14 SER  H       5.49            #peak 753
!# 11 CYSS HA     14 SER  H       4.39            #peak 754
!# 10 ASP  HA     13 ARG  H       5.00            #peak 755
!# 15 LEU  HA     18 GLY  H       4.38            #peak 757
!# 16 ARG  QD     17 ASN  H       5.35            #peak 760
!# 29 MET  QE     30 GLY  H       4.76            #peak 764
!# 15 LEU  H      36 THR  QG2     4.20            #peak 765
!# 16 ARG  H      36 THR  QG2     5.42            #peak 766
!# 36 THR  QG2    38 GLY  H       5.50            #peak 767
!# 35 VAL  QQG    38 GLY  H       4.59            #peak 768
!# 14 SER  H      36 THR  QG2     5.50            #peak 770
!# 15 LEU  QQD    17 ASN  H       5.14            #peak 772
!# 13 ARG  HG3    17 ASN  H       5.50            #peak 773
!# 13 ARG  HG2    17 ASN  H       5.50            #peak 774
!# 15 LEU  QQD    37 CYSS H       4.53            #peak 775
!# 15 LEU  QQD    19 ASP  H       5.25            #peak 778
!# 15 LEU  QQD    20 CYSS H       4.74            #peak 781
!# 33 CYSS H      34 PRO  HD2     4.12            #peak 784
!# 20 CYSS H      21 ASP  HA      5.50            #peak 785
!#  5 ASP  HA     33 CYSS H       5.50            #peak 786
!#  7 LYS  HA      9 PHE  H       4.32            #peak 787
!# 33 CYSS HA     35 VAL  H       4.77            #peak 790
!#  9 PHE  H       9 PHE  QD      5.18            #peak 791
!# 20 CYSS H      22 ASN  H       5.50            #peak 792
!# 26 LEU  H      28 GLU  H       5.50            #peak 793
!# 15 LEU  QQD    18 GLY  H       5.50            #peak 795
!# 37 CYSS HB2    38 GLY  H       5.50            #peak 800
!# 13 ARG  QD     14 SER  H       5.50            #peak 806
!# 37 CYSS HB2    39 PHE  QE      4.54            #peak 811
!# 37 CYSS HB3    39 PHE  QE      4.54            #peak 812
!# 34 PRO  HB2    39 PHE  QD      4.38            #peak 814
!# 37 CYSS HB2    39 PHE  QD      4.49            #peak 815
!# 34 PRO  HB3    39 PHE  QD      4.38            #peak 817
!# 37 CYSS HB3    39 PHE  QD      4.49            #peak 825
!# 25 LYS  QG     26 LEU  H       5.50            #peak 838
!# 26 LEU  H      29 MET  QG      4.80            #peak 842
!# 30 GLY  HA2    39 PHE  QE      4.90            #peak 843
!# 30 GLY  HA3    39 PHE  QE      4.90            #peak 844
!# 13 ARG  HA     13 ARG  HE      5.02            #peak 845
!# 13 ARG  HA     16 ARG  HE      5.27            #peak 846
!# 35 VAL  HA     39 PHE  QD      5.27            #peak 847
!# 30 GLY  HA3    39 PHE  QD      4.30            #peak 848
!# 30 GLY  HA2    39 PHE  QD      4.30            #peak 849
!# 34 PRO  HA     39 PHE  QD      3.53            #peak 850
!#  9 PHE  HA      9 PHE  QE      4.19            #peak 851
!#  9 PHE  QE     11 CYSS HA      4.17            #peak 852
!# 34 PRO  HA     39 PHE  QE      4.37            #peak 853
!# 20 CYSS HA     22 ASN  H       4.79            #peak 854
!# 19 ASP  HA     22 ASN  H       4.62            #peak 855
!#  2 HIS  HA      2 HIS  HD2     4.93            #peak 856
!#  9 PHE  HA      9 PHE  QD      3.53            #peak 857
!#  9 PHE  QD     11 CYSS HA      4.02            #peak 858
!#  9 PHE  QD     10 ASP  HA      4.88            #peak 859
!# 29 MET  HA     32 TYR  QD      5.30            #peak 860
!# 24 ASP  HA     26 LEU  H       5.50            #peak 862
!# 11 CYSS HB3    33 CYSS HA      5.50            #peak 871
!# 33 CYSS HA     35 VAL  QQG     5.12            #peak 874
!# 27 LEU  QD1    31 TYR  QD      4.97            #peak 875
!# 27 LEU  QD1    31 TYR  QE      5.23            #peak 876
!# 27 LEU  HB3    31 TYR  QE      5.31            #peak 877
!# 27 LEU  HB2    31 TYR  QE      5.31            #peak 878
!# 27 LEU  QD2    31 TYR  QE      5.23            #peak 879
!# 27 LEU  QD2    31 TYR  QD      4.97            #peak 880
!# 28 GLU  HA     31 TYR  QD      4.56            #peak 883
!# 28 GLU  HA     31 TYR  QE      4.97            #peak 884
!# 31 TYR  QD     32 TYR  HA      4.94            #peak 885
!#  6 GLU  H       7 LYS  H       5.50            #peak 889
!#  7 LYS  H       9 PHE  H       5.48            #peak 890
!# 14 SER  H      16 ARG  H       5.50            #peak 892
!# 13 ARG  H      16 ARG  H       5.50            #peak 893
!#  9 PHE  QD     11 CYSS H       4.59            #peak 898
!# 36 THR  HA     38 GLY  H       5.50            #peak 899
!# 33 CYSS HA     37 CYSS H       5.50            #peak 902
!# 21 ASP  H      22 ASN  HA      5.50            #peak 905
!# 35 VAL  QQG    39 PHE  QD      4.95            #peak 906
!#  5 ASP  HA     34 PRO  HD2     3.99            #peak 909
!#  5 ASP  HA     34 PRO  HD3     3.99            #peak 910
!# 33 CYSS HB2    36 THR  HB      3.65            #peak 911
!# 33 CYSS HB3    36 THR  HB      3.65            #peak 912
!#  4 ALA  HA     35 VAL  QQG     3.05            #peak 917
!# 11 CYSS HB3    36 THR  QG2     3.81            #peak 918
!# 11 CYSS HB2    36 THR  QG2     3.81            #peak 919
!# 12 ARG  QD     36 THR  QG2     4.96            #peak 921
!# 15 LEU  HB3    36 THR  QG2     3.75            #peak 922
!# 15 LEU  HB2    36 THR  QG2     3.75            #peak 923
!# 15 LEU  QQD    36 THR  QG2     3.29            #peak 925
!# 13 ARG  HA     13 ARG  QD      4.18            #peak 934
!# 12 ARG  HA     12 ARG  QD      4.40            #peak 935
!# 16 ARG  HA     16 ARG  QD      4.37            #peak 937
!# 13 ARG  HA     16 ARG  QB      3.67            #peak 938
!# 23 ASP  HA     25 LYS  H       5.50            #peak 943
!# 23 ASP  HA     26 LEU  H       4.71            #peak 944
!# 15 LEU  H      16 ARG  H       3.79            #peak 946
!# 27 LEU  H      29 MET  H       5.50            #peak 947
!#  2 HIS  QB      2 HIS  HE1     4.49            #peak 592
!#  2 HIS  QB      3 CYSS H       4.13            #peak 307
!#  5 ASP  H       5 ASP  QB      3.04            #peak 30
!#  5 ASP  H      34 PRO  QG      5.35            #peak 776
!#  5 ASP  H      34 PRO  QD      5.12            #peak 710
!#  5 ASP  HA     34 PRO  QD      3.17            #peak 909
!#  5 ASP  QB      6 GLU  H       3.52            #peak 42
!#  5 ASP  QB     33 CYSS HA      4.21            #peak 869
!#  6 GLU  H       6 GLU  QB      3.26            #peak 40
!#  6 GLU  H       6 GLU  QG      3.91            #peak 595
!#  6 GLU  H      32 TYR  QB      5.19            #peak 686
!#  6 GLU  H      34 PRO  QD      4.70            #peak 687
!#  6 GLU  QB      6 GLU  QG      2.18            #peak 393
!#  6 GLU  QB      9 PHE  H       3.94            #peak 789
!#  6 GLU  QB     32 TYR  QD      3.28            #peak 821
!#  6 GLU  QB     32 TYR  QE      3.86            #peak 818
!#  6 GLU  QG      7 LYS  H       4.05            #peak 56
!#  6 GLU  QG      8 ASN  H       5.34            #peak 698
!#  6 GLU  QG      9 PHE  H       4.79            #peak 797
!#  6 GLU  QG     32 TYR  QD      3.55            #peak 820
!#  6 GLU  QG     32 TYR  QE      3.70            #peak 819
!#  7 LYS  QG      8 ASN  QB      4.69            #peak 645
!#  7 LYS  QG      8 ASN  QD2     5.23            #peak 831
!#  7 LYS  QD      8 ASN  QD2     4.67            #peak 830
!#  8 ASN  H       8 ASN  QB      3.66            #peak 601
!#  8 ASN  QB      8 ASN  QD2     3.22            #peak 579
!#  8 ASN  QB      9 PHE  H       4.01            #peak 602
!#  9 PHE  H       9 PHE  QB      3.08            #peak 60
!#  9 PHE  QB     10 ASP  H       4.05            #peak 68
!#  9 PHE  QB     11 CYSS H       4.83            #peak 713
!#  9 PHE  QB     32 TYR  QE      4.41            #peak 610
!#  9 PHE  QD     11 CYSS QB      4.72            #peak 822
!#  9 PHE  QE     32 TYR  QB      3.47            #peak 816
!#  9 PHE  HZ     32 TYR  QB      3.90            #peak 939
!# 10 ASP  QB     13 ARG  H       5.34            #peak 798
!# 10 ASP  QB     13 ARG  QB      4.05            #peak 929
!# 10 ASP  QB     13 ARG  HE      4.98            #peak 826
!# 11 CYSS H      11 CYSS QB      3.19            #peak 71
!# 11 CYSS QB     12 ARG  H       3.71            #peak 85
!# 11 CYSS QB     33 CYSS HA      4.78            #peak 871
!# 11 CYSS QB     36 THR  HB      3.60            #peak 913
!# 11 CYSS QB     36 THR  QG2     3.23            #peak 918
!# 12 ARG  H      12 ARG  QB      3.13            #peak 77
!# 12 ARG  H      12 ARG  QG      3.62            #peak 78
!# 12 ARG  HA     12 ARG  QG      3.59            #peak 440
!# 12 ARG  QB     12 ARG  QD      3.46            #peak 677
!# 12 ARG  QB     13 ARG  H       3.41            #peak 93
!# 12 ARG  QG     13 ARG  H       4.01            #peak 91
!# 13 ARG  HA     13 ARG  QG      3.30            #peak 449
!# 13 ARG  QB     13 ARG  QG      2.41            #peak 451
!# 13 ARG  QB     17 ASN  QD2     4.99            #peak 836
!# 13 ARG  QG     14 SER  H       4.11            #peak 100
!# 13 ARG  QG     17 ASN  H       4.83            #peak 773
!# 13 ARG  QG     17 ASN  QD2     3.69            #peak 788
!# 13 ARG  QD     17 ASN  QD2     4.60            #peak 824
!# 13 ARG  HE     17 ASN  QD2     5.28            #peak 897
!# 14 SER  H      14 SER  QB      3.15            #peak 96
!# 14 SER  HA     17 ASN  QD2     4.90            #peak 861
!# 14 SER  QB     15 LEU  H       3.76            #peak 106
!# 15 LEU  H      15 LEU  QB      2.87            #peak 103
!# 15 LEU  QB     15 LEU  QQD     2.81            #peak 462
!# 15 LEU  QB     16 ARG  H       2.94            #peak 115
!# 15 LEU  QB     20 CYSS H       5.27            #peak 782
!# 15 LEU  QB     36 THR  QG2     2.97            #peak 923
!# 16 ARG  H      16 ARG  QG      3.61            #peak 110
!# 16 ARG  HA     16 ARG  QG      3.51            #peak 465
!# 17 ASN  H      17 ASN  QB      2.97            #peak 119
!# 17 ASN  H      17 ASN  QD2     5.34            #peak 891
!# 17 ASN  H      18 GLY  QA      4.88            #peak 749
!# 17 ASN  QB     17 ASN  QD2     3.18            #peak 126
!# 17 ASN  QB     18 GLY  H       3.93            #peak 132
!# 17 ASN  QB     19 ASP  H       4.03            #peak 714
!# 17 ASN  QD2    18 GLY  H       4.35            #peak 723
!# 18 GLY  QA     20 CYSS H       3.94            #peak 156
!# 18 GLY  QA     21 ASP  H       4.09            #peak 247
!# 19 ASP  H      19 ASP  QB      3.07            #peak 141
!# 19 ASP  HA     22 ASN  QD2     4.72            #peak 896
!# 19 ASP  QB     20 CYSS H       3.88            #peak 155
!# 20 CYSS H      21 ASP  QB      5.34            #peak 783
!# 20 CYSS QB     21 ASP  H       3.83            #peak 158
!# 21 ASP  H      21 ASP  QB      3.41            #peak 159
!# 21 ASP  QB     22 ASN  H       4.29            #peak 163
!# 22 ASN  H      22 ASN  QB      3.40            #peak 162
!# 22 ASN  QB     22 ASN  QD2     2.96            #peak 252
!# 22 ASN  QB     23 ASP  H       4.07            #peak 171
!# 22 ASN  QD2    23 ASP  H       5.34            #peak 903
!# 22 ASN  QD2    24 ASP  H       5.34            #peak 945
!# 22 ASN  QD2    25 LYS  QG      4.37            #peak 827
!# 23 ASP  HA     26 LEU  QB      3.34            #peak 926
!# 23 ASP  HA     26 LEU  QQD     4.01            #peak 924
!# 24 ASP  H      24 ASP  QB      3.69            #peak 199
!# 24 ASP  H      26 LEU  QQD     4.96            #peak 779
!# 25 LYS  H      25 LYS  QD      3.82            #peak 265
!# 25 LYS  HA     25 LYS  QD      4.57            #peak 495
!# 25 LYS  QB     25 LYS  QD      2.87            #peak 499
!# 25 LYS  QB     25 LYS  QE      3.51            #peak 639
!# 25 LYS  QB     26 LEU  H       4.43            #peak 368
!# 25 LYS  QG     25 LYS  QE      3.51            #peak 647
!# 25 LYS  QD     26 LEU  H       5.07            #peak 295
!# 26 LEU  H      26 LEU  QB      3.56            #peak 361
!# 26 LEU  H      26 LEU  QQD     4.47            #peak 296
!# 26 LEU  H      29 MET  QB      4.76            #peak 809
!# 26 LEU  HA     26 LEU  QQD     3.57            #peak 514
!# 26 LEU  QB     27 LEU  H       3.64            #peak 648
!# 26 LEU  QB     27 LEU  HA      4.38            #peak 522
!# 26 LEU  QQD    27 LEU  H       5.42            #peak 347
!# 26 LEU  QQD    28 GLU  H       5.37            #peak 358
!# 27 LEU  H      27 LEU  QB      3.67            #peak 350
!# 27 LEU  H      27 LEU  QQD     5.44            #peak 348
!# 27 LEU  QB     29 MET  H       5.34            #peak 682
!# 27 LEU  QB     31 TYR  QD      5.18            #peak 881
!# 27 LEU  QQD    28 GLU  H       4.80            #peak 357
!# 27 LEU  QQD    30 GLY  H       5.29            #peak 777
!# 27 LEU  QQD    31 TYR  QD      4.38            #peak 875
!# 27 LEU  QQD    31 TYR  QE      4.51            #peak 876
!# 27 LEU  QQD    39 PHE  QD      4.03            #peak 829
!# 27 LEU  QQD    39 PHE  QE      3.86            #peak 828
!# 27 LEU  QQD    39 PHE  HZ      3.71            #peak 769
!# 28 GLU  H      28 GLU  QB      3.30            #peak 287
!# 28 GLU  H      28 GLU  QG      4.24            #peak 288
!# 28 GLU  HA     28 GLU  QG      3.43            #peak 537
!# 28 GLU  QB     29 MET  H       3.87            #peak 346
!# 29 MET  H      29 MET  QB      3.55            #peak 283
!# 29 MET  QB     29 MET  QE      3.21            #peak 652
!# 29 MET  QB     30 GLY  H       3.65            #peak 342
!# 30 GLY  QA     39 PHE  QD      3.59            #peak 849
!# 30 GLY  QA     39 PHE  QE      4.20            #peak 843
!# 31 TYR  QB     32 TYR  H       3.44            #peak 320
!# 31 TYR  QB     32 TYR  HA      4.30            #peak 932
!# 31 TYR  QD     32 TYR  QB      4.57            #peak 868
!# 31 TYR  QE     32 TYR  QB      5.03            #peak 867
!# 32 TYR  H      32 TYR  QB      3.29            #peak 328
!# 32 TYR  H      33 CYSS QB      5.34            #peak 763
!# 32 TYR  H      34 PRO  QD      4.85            #peak 762
!# 32 TYR  QB     33 CYSS H       3.72            #peak 333
!# 33 CYSS H      34 PRO  QD      3.57            #peak 691
!# 33 CYSS HA     34 PRO  QG      4.82            #peak 873
!# 33 CYSS HA     34 PRO  QD      3.19            #peak 215
!# 33 CYSS QB     36 THR  H       4.50            #peak 709
!# 33 CYSS QB     36 THR  HB      3.07            #peak 911
!# 33 CYSS QB     36 THR  QG2     4.16            #peak 920
!# 33 CYSS QB     37 CYSS H       4.09            #peak 758
!# 34 PRO  HA     39 PHE  QB      3.61            #peak 914
!# 34 PRO  QB     39 PHE  QD      3.53            #peak 814
!# 34 PRO  QG     35 VAL  H       3.27            #peak 239
!# 34 PRO  QG     36 THR  H       4.97            #peak 685
!# 34 PRO  QD     35 VAL  H       3.80            #peak 236
!# 37 CYSS H      37 CYSS QB      3.16            #peak 12
!# 37 CYSS QB     39 PHE  QD      3.82            #peak 825
!# 37 CYSS QB     39 PHE  QE      3.67            #peak 812
!# 37 CYSS QB     39 PHE  HZ      3.86            #peak 804
!# 38 GLY  H      39 PHE  QB      5.13            #peak 799
!# 39 PHE  H      40 CYSS QB      5.13            #peak 690
!# 39 PHE  QB     40 CYSS H       4.21            #peak 212
!# 40 CYSS H      40 CYSS QB      3.67            #peak 211
!# 40 CYSS QB     41 CAM  H1      4.25            #peak 410
!# 40 CYSS QB     41 CAM  H2      4.29            #peak 412
assign (resid  35 and name   HN)   (resid  35 and name  HG*)   2.505    0.705    0.705  
assign (resid  35 and name   HN)   (resid  35 and name   HB)   2.485    0.685    0.685  
assign (resid  35 and name   HB)   (resid  36 and name   HN)   2.585    0.785    0.785  
assign (resid  35 and name  HG*)   (resid  36 and name   HN)   2.740    0.940    0.940  
assign (resid  36 and name   HN)   (resid  36 and name   HB)   2.875    1.075    1.075  
assign (resid  36 and name   HN)   (resid  36 and name HG2#)   3.185    1.385    1.385  
assign (resid  37 and name   HN)   (resid  37 and name  HB1)   2.875    1.075    1.075  
assign (resid  37 and name   HN)   (resid  37 and name  HB2)   2.875    1.075    1.075  
assign (resid  36 and name   HB)   (resid  37 and name   HN)   2.690    0.890    0.890  
assign (resid  36 and name HG2#)   (resid  37 and name   HN)   3.040    1.240    1.240  
assign (resid  37 and name  HB1)   (resid  38 and name   HN)   3.650    1.850    1.850  
assign (resid  37 and name   HN)   (resid  38 and name   HN)   2.810    1.010    1.010  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.830    1.030    1.030  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.830    1.030    1.030  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.740    0.940    0.940  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.325    0.525    0.525  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.585    0.785    0.785  
assign (resid   6 and name   HN)   (resid   6 and name  HG1)   3.145    1.345    1.345  
assign (resid   6 and name   HN)   (resid   6 and name  HB2)   2.895    1.095    1.095  
assign (resid   6 and name   HN)   (resid   6 and name  HB1)   2.895    1.095    1.095  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.575    0.775    0.775  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   3.095    1.295    1.295  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   3.095    1.295    1.295  
assign (resid   7 and name   HN)   (resid   7 and name  HG#)   2.815    1.015    1.015  
assign (resid   7 and name   HN)   (resid   7 and name  HD#)   3.120    1.320    1.320  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.545    0.745    0.745  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.845    1.045    1.045  
assign (resid   7 and name  HG#)   (resid   8 and name   HN)   3.165    1.365    1.365  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.400    0.600    0.600  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.345    0.545    0.545  
assign (resid   6 and name  HG1)   (resid   7 and name   HN)   3.280    1.480    1.480  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   3.215    1.415    1.415  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   3.215    1.415    1.415  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.660    0.860    0.860  
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.660    0.860    0.860  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   3.265    1.465    1.465  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.620    0.820    0.820  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.620    0.820    0.820  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   3.320    1.520    1.520  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.320    1.520    1.520  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.400    0.600    0.600  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.815    1.015    1.015  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.815    1.015    1.015  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.615    1.815    1.815  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.615    1.815    1.815  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.515    0.715    0.715  
assign (resid  12 and name   HN)   (resid  12 and name  HG2)   3.080    1.280    1.280  
assign (resid  12 and name   HN)   (resid  12 and name  HG1)   3.080    1.280    1.280  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.695    0.895    0.895  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   3.125    1.325    1.325  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   3.125    1.325    1.325  
assign (resid  13 and name   HN)   (resid  13 and name  HG1)   3.265    1.465    1.665  
assign (resid  13 and name   HN)   (resid  13 and name  HG2)   3.265    1.465    1.665  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.350    0.550    0.550  
assign (resid  12 and name  HG1)   (resid  13 and name   HN)   3.260    1.460    1.460  
assign (resid  12 and name  HG2)   (resid  13 and name   HN)   3.260    1.460    1.460  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.940    1.140    1.140  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   2.940    1.140    1.140  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.865    1.065    1.065  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.550    0.750    0.750  
assign (resid  13 and name  HG2)   (resid  14 and name   HN)   3.340    1.540    1.540  
assign (resid  13 and name  HG1)   (resid  14 and name   HN)   3.340    1.540    1.540  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.865    1.065    1.065  
assign (resid  15 and name   HN)   (resid  15 and name  HB1)   2.555    0.755    0.755  
assign (resid  15 and name   HN)   (resid  15 and name  HB2)   2.555    0.755    0.755  
assign (resid  15 and name   HN)   (resid  15 and name  HD#)   3.015    1.215    1.215  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   3.155    1.355    1.355  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   3.155    1.355    1.355  
assign (resid  16 and name   HN)   (resid  16 and name  HG1)   3.080    1.280    1.280  
assign (resid  16 and name   HN)   (resid  16 and name  HG2)   3.080    1.280    1.280  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.505    0.705    0.705  
assign (resid  15 and name  HD#)   (resid  16 and name   HN)   2.910    1.110    1.110  
assign (resid  15 and name  HB2)   (resid  16 and name   HN)   2.795    0.995    0.995  
assign (resid  15 and name  HB1)   (resid  16 and name   HN)   2.795    0.995    0.995  
assign (resid  17 and name   HN)   (resid  17 and name  HB2)   2.705    0.905    0.905  
assign (resid  17 and name   HN)   (resid  17 and name  HB1)   2.705    0.905    0.905  
assign (resid  16 and name  HB#)   (resid  17 and name   HN)   2.645    0.845    0.845  
assign (resid  16 and name  HG2)   (resid  17 and name   HN)   3.495    1.695    1.695  
assign (resid  16 and name  HG1)   (resid  17 and name   HN)   3.495    1.695    1.695  
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.825    1.025    1.025  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.825    1.025    1.025  
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.760    0.960    0.960  
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.760    0.960    0.960  
assign (resid  19 and name  HB1)   (resid  20 and name   HN)   3.210    1.410    1.410  
assign (resid  19 and name  HB2)   (resid  20 and name   HN)   3.210    1.410    1.410  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.900    1.100    1.100  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   3.135    1.335    1.335  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.900    1.100    1.100  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   3.135    1.335    1.335  
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   2.840    1.040    1.040  
assign (resid  21 and name  HB2)   (resid  22 and name   HN)   3.420    1.620    1.620  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   3.420    1.620    1.620  
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   2.840    1.040    1.040  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.685    0.885    0.885  
assign (resid  22 and name  HB1)   (resid  23 and name   HN)   3.345    1.545    1.545  
assign (resid  22 and name  HB2)   (resid  23 and name   HN)   3.345    1.545    1.545  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.545    0.745    0.745  
assign (resid  32 and name   HN)   (resid  32 and name  HB2)   2.940    1.140    1.140  
assign (resid  31 and name   HN)   (resid  31 and name  HB2)   2.860    1.060    1.060  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   2.620    0.820    0.820  
assign (resid  33 and name   HA)   (resid  34 and name  HD2)   2.765    0.965    0.965  
assign (resid  33 and name   HA)   (resid  34 and name  HD1)   2.765    0.965    0.965  
assign (resid  25 and name  HB1)   (resid  25 and name  HD2)   2.935    1.135    1.135  
assign (resid   5 and name   HA)   (resid  33 and name   HA)   2.795    0.995    0.995  
assign (resid   5 and name   HA)   (resid  35 and name   HN)   3.150    1.350    1.350  
assign (resid  34 and name  HD2)   (resid  35 and name   HN)   3.200    1.400    1.400  
assign (resid  34 and name  HD1)   (resid  35 and name   HN)   3.200    1.400    1.400  
assign (resid  34 and name  HG1)   (resid  35 and name   HN)   2.870    1.070    1.070  
assign (resid  34 and name  HG2)   (resid  35 and name   HN)   2.870    1.070    1.070  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.810    1.010    1.010  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.580    0.780    0.780  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.680    0.880    0.880  
assign (resid  18 and name  HA1)   (resid  21 and name   HN)   3.380    1.580    1.580  
assign (resid  18 and name  HA2)   (resid  21 and name   HN)   3.380    1.580    1.580  
assign (resid  21 and name   HN)   (resid  22 and name   HN)   2.850    1.050    1.050  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.745    0.945    0.945  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   3.020    1.220    1.220  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   2.550    0.750    0.750  
assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.780    0.980    0.980  
assign (resid  25 and name   HN)   (resid  25 and name  HB1)   2.780    0.980    0.980  
assign (resid  25 and name   HN)   (resid  25 and name  HD2)   3.185    1.385    1.385  
assign (resid  25 and name   HN)   (resid  25 and name  HD1)   3.185    1.385    1.385  
assign (resid  25 and name   HN)   (resid  25 and name  HG#)   2.730    0.930    0.930  
assign (resid  29 and name   HN)   (resid  29 and name  HG#)   3.015    1.215    1.215  
assign (resid  28 and name   HN)   (resid  28 and name  HB1)   2.825    1.025    1.025  
assign (resid  28 and name   HN)   (resid  28 and name  HB2)   2.825    1.025    1.025  
assign (resid  28 and name   HN)   (resid  28 and name  HG2)   3.365    1.565    1.565  
assign (resid  26 and name   HN)   (resid  26 and name HD1#)   3.650    1.850    1.850  
assign (resid  26 and name   HN)   (resid  26 and name HD2#)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.695    0.895    0.895  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.635    0.835    0.835  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   3.315    1.515    1.515  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   2.890    1.090    1.090  
assign (resid  31 and name   HA)   (resid  31 and name  HE#)   3.650    1.850    1.850  
assign (resid  31 and name   HA)   (resid  31 and name  HD#)   2.835    1.035    1.035  
assign (resid  31 and name   HN)   (resid  31 and name  HB1)   2.860    1.060    1.060  
assign (resid  31 and name  HB2)   (resid  32 and name   HN)   2.910    1.110    1.110  
assign (resid  31 and name  HB1)   (resid  32 and name   HN)   2.910    1.110    1.110  
assign (resid  31 and name   HN)   (resid  32 and name   HN)   2.755    0.955    0.955  
assign (resid  32 and name   HA)   (resid  32 and name  HD#)   2.645    0.845    0.845  
assign (resid  32 and name   HN)   (resid  32 and name  HB1)   2.940    1.140    1.140  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   2.730    0.930    0.930  
assign (resid  32 and name  HB1)   (resid  33 and name   HN)   3.080    1.280    1.280  
assign (resid  32 and name  HB2)   (resid  33 and name   HN)   3.080    1.280    1.280  
assign (resid  29 and name   HA)   (resid  32 and name   HN)   3.295    1.495    1.495  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.905    1.105    1.105  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   2.975    1.175    1.175  
assign (resid  29 and name   HA)   (resid  33 and name   HN)   2.825    1.025    1.025  
assign (resid  29 and name  HB2)   (resid  30 and name   HN)   3.135    1.335    1.335  
assign (resid  28 and name   HN)   (resid  28 and name  HG1)   3.365    1.565    1.565  
assign (resid  28 and name  HB2)   (resid  29 and name   HN)   3.110    1.310    1.310  
assign (resid  28 and name  HB1)   (resid  29 and name   HN)   3.110    1.310    1.310  
assign (resid  27 and name   HN)   (resid  27 and name   HG)   2.920    1.120    1.120  
assign (resid  26 and name  HB2)   (resid  27 and name   HN)   3.075    1.275    1.275  
assign (resid  27 and name  HB2)   (resid  28 and name   HN)   3.330    1.530    1.530  
assign (resid  27 and name   HG)   (resid  28 and name   HN)   3.650    1.850    1.850  
assign (resid  27 and name  HB1)   (resid  28 and name   HN)   3.330    1.530    1.530  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.900    1.100    1.100  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.955    1.155    1.155  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   2.570    0.770    0.770  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   3.550    1.750    1.750  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   3.550    1.750    1.750  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.345    1.545    1.545  
assign (resid   1 and name  HG#)   (resid   2 and name   HN)   2.750    0.950    0.950  
assign (resid   1 and name  HB#)   (resid   2 and name   HN)   2.955    1.155    1.155  
assign (resid  39 and name   HN)   (resid  40 and name   HN)   2.740    0.940    0.940  
assign (resid  38 and name   HN)   (resid  39 and name   HN)   2.815    1.015    1.015  
assign (resid   7 and name   HN)   (resid   7 and name  HE#)   3.085    1.285    1.285  
assign (resid   7 and name   HA)   (resid   7 and name  HE#)   3.245    1.445    1.445  
assign (resid   7 and name   HA)   (resid   7 and name  HD#)   3.055    1.255    1.255  
assign (resid   7 and name   HA)   (resid   7 and name  HG#)   2.860    1.060    1.060  
assign (resid   7 and name  HB#)   (resid   7 and name  HE#)   2.845    1.045    1.045  
assign (resid   7 and name  HB#)   (resid   7 and name  HD#)   2.845    1.045    1.045  
assign (resid  12 and name   HA)   (resid  12 and name  HG2)   3.000    1.200    1.200  
assign (resid  12 and name   HA)   (resid  12 and name  HG1)   3.000    1.200    1.200  
assign (resid  13 and name   HA)   (resid  13 and name  HG2)   2.840    1.040    1.040  
assign (resid  13 and name   HA)   (resid  13 and name  HG1)   2.840    1.040    1.040  
assign (resid  15 and name   HA)   (resid  15 and name  HD#)   2.505    0.705    0.705  
assign (resid  15 and name  HB1)   (resid  15 and name  HD#)   2.510    0.710    0.710  
assign (resid  15 and name  HB2)   (resid  15 and name  HD#)   2.510    0.710    0.710  
assign (resid  16 and name   HA)   (resid  16 and name  HG2)   2.965    1.165    1.165  
assign (resid  16 and name   HA)   (resid  16 and name  HG1)   2.965    1.165    1.165  
assign (resid  25 and name   HA)   (resid  25 and name  HD2)   3.610    1.810    1.810  
assign (resid  25 and name   HA)   (resid  25 and name  HD1)   3.610    1.810    1.810  
assign (resid  25 and name  HB2)   (resid  25 and name  HD2)   2.935    1.135    1.135  
assign (resid  25 and name  HB1)   (resid  25 and name  HD1)   2.935    1.135    1.135  
assign (resid  25 and name  HB2)   (resid  25 and name  HD1)   2.935    1.135    1.135  
assign (resid  27 and name   HA)   (resid  27 and name   HG)   2.820    1.020    1.020  
assign (resid  27 and name   HA)   (resid  27 and name HD1#)   3.130    1.330    1.330  
assign (resid  27 and name   HA)   (resid  27 and name HD2#)   3.130    1.330    1.330  
assign (resid  28 and name   HA)   (resid  28 and name  HG1)   2.965    1.165    1.165  
assign (resid  28 and name   HA)   (resid  28 and name  HG2)   2.965    1.165    1.165  
assign (resid  29 and name   HA)   (resid  29 and name  HG#)   2.900    1.100    1.100  
assign (resid  11 and name  HB2)   (resid  33 and name   HA)   3.650    1.850    1.850  
assign (resid  35 and name   HA)   (resid  35 and name  HG*)   2.330    0.530    0.530  
assign (resid  36 and name   HA)   (resid  36 and name HG2#)   2.635    0.835    0.835  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   3.315    1.515    1.515  
assign (resid   6 and name   HN)   (resid   6 and name  HG2)   3.145    1.345    1.345  
assign (resid   6 and name  HG2)   (resid   7 and name   HN)   3.280    1.480    1.480  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.265    1.465    1.465  
assign (resid  12 and name   HN)   (resid  12 and name  HD#)   3.335    1.535    1.535  
assign (resid  12 and name  HB2)   (resid  12 and name   HE)   3.330    1.530    1.530  
assign (resid  12 and name  HB1)   (resid  12 and name   HE)   3.330    1.530    1.530  
assign (resid  13 and name  HB#)   (resid  13 and name  HD#)   2.625    0.825    0.825  
assign (resid  13 and name  HB#)   (resid  13 and name   HE)   2.875    1.075    1.075  
assign (resid  16 and name  HB#)   (resid  16 and name   HE)   3.175    1.375    1.375  
assign (resid  16 and name  HB#)   (resid  16 and name  HD#)   2.660    0.860    0.860  
assign (resid  25 and name  HG#)   (resid  25 and name  HE1)   2.990    1.190    1.190  
assign (resid  25 and name  HG#)   (resid  25 and name  HE2)   2.990    1.190    1.190  
assign (resid  26 and name  HB1)   (resid  27 and name   HN)   3.075    1.275    1.275  
assign (resid  29 and name   HA)   (resid  29 and name  HE#)   2.530    0.730    0.730  
assign (resid  29 and name  HG#)   (resid  29 and name  HE#)   2.665    0.865    0.865  
assign (resid  32 and name   HA)   (resid  32 and name  HE#)   3.070    1.270    1.270  
assign (resid  31 and name  HD#)   (resid  32 and name  HE#)   3.415    1.615    1.615  
assign (resid  31 and name  HD#)   (resid  32 and name  HD#)   3.540    1.740    1.740  
assign (resid  33 and name   HA)   (resid  36 and name   HB)   3.180    1.380    1.380  
assign (resid  36 and name   HN)   (resid  37 and name   HN)   3.010    1.210    1.210  
assign (resid  39 and name   HA)   (resid  39 and name  HD#)   2.825    1.025    1.025  
assign (resid  13 and name   HE)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid  12 and name  HB2)   (resid  12 and name  HD#)   2.880    1.080    1.080  
assign (resid  12 and name  HB1)   (resid  12 and name  HD#)   2.880    1.080    1.080  
assign (resid  27 and name HD2#)   (resid  29 and name   HN)   3.650    1.850    1.850
assign (resid  27 and name HD1#)   (resid  29 and name   HN)   3.650    1.850    1.850
assign (resid   6 and name   HN)   (resid  32 and name   HA)   3.040    1.240    1.240  
assign (resid  34 and name   HA)   (resid  39 and name   HN)   3.165    1.365    1.365  
assign (resid   6 and name   HA)   (resid   8 and name   HN)   3.650    1.850    1.850  
assign (resid  33 and name   HN)   (resid  34 and name  HD1)   2.960    1.160    1.160  
assign (resid  12 and name   HA)   (resid  15 and name   HN)   2.930    1.130    1.130  
assign (resid  14 and name   HA)   (resid  19 and name   HN)   2.930    1.130    1.130  
assign (resid   3 and name   HN)   (resid   4 and name  HB#)   3.490    1.690    1.690  ! Added back in by Taylor 4th April
assign (resid   1 and name  HG#)   (resid   3 and name   HN)   2.990    1.190    1.190  ! Added back in by Taylor 4th April
assign (resid   1 and name  HB#)   (resid   3 and name   HN)   3.435    1.635    1.635  ! Added back in by Taylor 4th April
assign (resid   5 and name   HN)   (resid  35 and name  HG*)   2.585    0.785    0.785  
assign (resid  12 and name   HN)   (resid  36 and name HG2#)   3.465    1.665    1.665  
assign (resid   5 and name   HN)   (resid  35 and name   HB)   2.905    1.105    1.105  
assign (resid  11 and name   HN)   (resid  36 and name HG2#)   3.650    1.850    1.850  
assign (resid  29 and name  HB1)   (resid  30 and name   HN)   3.135    1.335    1.335  
assign (resid   5 and name   HN)   (resid  35 and name   HA)   3.650    1.850    1.850  
assign (resid   9 and name   HA)   (resid  11 and name   HN)   3.630    1.830    1.830  
assign (resid  17 and name   HA)   (resid  19 and name   HN)   3.325    1.525    1.525  
assign (resid   6 and name   HN)   (resid  33 and name   HA)   3.150    1.350    1.350  
assign (resid   6 and name   HN)   (resid  32 and name  HD#)   3.650    1.850    1.850  
assign (resid  32 and name   HN)   (resid  32 and name  HD#)   2.930    1.130    1.130  
assign (resid  31 and name  HD#)   (resid  32 and name   HN)   3.385    1.585    1.585  
assign (resid  35 and name   HN)   (resid  36 and name   HN)   2.600    0.800    0.800  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.735    0.935    0.935  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.620    0.820    0.820  
assign (resid  39 and name   HN)   (resid  39 and name  HD#)   3.320    1.520    1.520  
assign (resid  12 and name   HN)   (resid  14 and name   HN)   3.510    1.710    1.710  
assign (resid  24 and name   HN)   (resid  26 and name   HN)   3.355    1.555    1.555  
assign (resid  23 and name   HN)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   3.650    1.850    1.850  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.865    1.065    1.065  
assign (resid  17 and name   HN)   (resid  19 and name   HN)   3.390    1.590    1.590  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.735    0.935    0.935  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   2.685    0.885    0.885  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.845    1.045    1.045  
assign (resid  13 and name   HN)   (resid  15 and name   HN)   3.570    1.770    1.770  
assign (resid  18 and name   HN)   (resid  20 and name   HN)   3.650    1.850    1.850  
assign (resid  35 and name   HN)   (resid  37 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   2.780    0.980    0.980  
assign (resid   9 and name  HD#)   (resid  10 and name   HN)   3.110    1.310    1.310  
assign (resid  11 and name   HA)   (resid  15 and name   HN)   3.160    1.360    1.360  
assign (resid  34 and name   HA)   (resid  37 and name   HN)   3.195    1.395    1.395  
assign (resid  13 and name   HA)   (resid  17 and name   HN)   3.330    1.530    1.530  
assign (resid  13 and name   HA)   (resid  16 and name   HN)   2.800    1.000    1.000  
assign (resid  14 and name   HA)   (resid  17 and name   HN)   2.930    1.130    1.130  
assign (resid   4 and name   HA)   (resid  35 and name   HN)   3.445    1.645    1.645  
assign (resid  12 and name   HA)   (resid  16 and name   HN)   3.140    1.340    1.340  
assign (resid  34 and name   HA)   (resid  38 and name   HN)   3.600    1.800    1.800  
assign (resid  12 and name   HA)   (resid  14 and name   HN)   3.645    1.845    1.845  
assign (resid  11 and name   HA)   (resid  14 and name   HN)   3.095    1.295    1.295  
assign (resid  10 and name   HA)   (resid  13 and name   HN)   3.400    1.600    1.600  
assign (resid  15 and name   HA)   (resid  18 and name   HN)   3.090    1.290    1.290  
assign (resid  16 and name  HD#)   (resid  17 and name   HN)   3.575    1.775    1.775  
assign (resid  29 and name  HE#)   (resid  30 and name   HN)   3.280    1.480    1.480  
assign (resid  15 and name   HN)   (resid  36 and name HG2#)   3.000    1.200    1.200  
assign (resid  16 and name   HN)   (resid  36 and name HG2#)   3.610    1.810    1.810  
assign (resid  36 and name HG2#)   (resid  38 and name   HN)   3.650    1.850    1.850  
assign (resid  35 and name  HG*)   (resid  38 and name   HN)   3.195    1.395    1.395  
assign (resid  14 and name   HN)   (resid  36 and name HG2#)   3.650    1.850    1.850  
assign (resid  15 and name  HD#)   (resid  17 and name   HN)   3.470    1.670    1.670  
assign (resid  13 and name  HG1)   (resid  17 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name  HG2)   (resid  17 and name   HN)   3.650    1.850    1.850  
assign (resid  15 and name  HD#)   (resid  37 and name   HN)   3.165    1.365    1.365  
assign (resid  15 and name  HD#)   (resid  19 and name   HN)   3.525    1.725    1.725  
assign (resid  15 and name  HD#)   (resid  20 and name   HN)   3.270    1.470    1.470  
assign (resid  33 and name   HN)   (resid  34 and name  HD2)   2.960    1.160    1.160  
assign (resid  20 and name   HN)   (resid  21 and name   HA)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid  33 and name   HN)   3.650    1.850    1.850  
assign (resid   7 and name   HA)   (resid   9 and name   HN)   3.060    1.260    1.260 
assign (resid  33 and name   HA)   (resid  35 and name   HN)   3.285    1.485    1.485  
assign (resid   9 and name   HN)   (resid   9 and name  HD#)   3.490    1.690    1.690  
assign (resid  20 and name   HN)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid  26 and name   HN)   (resid  28 and name   HN)   3.650    1.850    1.850  
assign (resid  15 and name  HD#)   (resid  18 and name   HN)   3.650    1.850    1.850  
assign (resid  37 and name  HB2)   (resid  38 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.650    1.850    1.850  
assign (resid  37 and name  HB2)   (resid  39 and name  HE#)   3.170    1.370    1.370  
assign (resid  37 and name  HB1)   (resid  39 and name  HE#)   3.170    1.370    1.370  
assign (resid  34 and name  HB2)   (resid  39 and name  HD#)   3.090    1.290    1.290  
assign (resid  37 and name  HB2)   (resid  39 and name  HD#)   3.145    1.345    1.345  
assign (resid  34 and name  HB1)   (resid  39 and name  HD#)   3.090    1.290    1.290  
assign (resid  37 and name  HB1)   (resid  39 and name  HD#)   3.145    1.345    1.345  
assign (resid  25 and name  HG#)   (resid  26 and name   HN)   3.650    1.850    1.850  
assign (resid  26 and name   HN)   (resid  29 and name  HG#)   3.300    1.500    1.500  
assign (resid  30 and name  HA2)   (resid  39 and name  HE#)   3.350    1.550    1.550  
assign (resid  30 and name  HA1)   (resid  39 and name  HE#)   3.350    1.550    1.550  
assign (resid  13 and name   HA)   (resid  13 and name   HE)   3.410    1.610    1.610  
assign (resid  13 and name   HA)   (resid  16 and name   HE)   3.535    1.735    1.735  
assign (resid  35 and name   HA)   (resid  39 and name  HD#)   3.535    1.735    1.735  
assign (resid  30 and name  HA1)   (resid  39 and name  HD#)   3.050    1.250    1.250  
assign (resid  30 and name  HA2)   (resid  39 and name  HD#)   3.050    1.250    1.250  
assign (resid  34 and name   HA)   (resid  39 and name  HD#)   2.665    0.865    0.865  
assign (resid   9 and name   HA)   (resid   9 and name  HE#)   2.995    1.195    1.195  
assign (resid   9 and name  HE#)   (resid  11 and name   HA)   2.985    1.185    1.185  
assign (resid  34 and name   HA)   (resid  39 and name  HE#)   3.085    1.285    1.285  
assign (resid  20 and name   HA)   (resid  22 and name   HN)   3.295    1.495    1.495  
assign (resid  19 and name   HA)   (resid  22 and name   HN)   3.210    1.410    1.410  
assign (resid   2 and name   HA)   (resid   2 and name  HD2)   3.365    1.565    1.565  
assign (resid   9 and name   HA)   (resid   9 and name  HD#)   2.665    0.865    0.865  
assign (resid   9 and name  HD#)   (resid  11 and name   HA)   2.910    1.110    1.110  
assign (resid   9 and name  HD#)   (resid  10 and name   HA)   3.340    1.540    1.540  
assign (resid  29 and name   HA)   (resid  32 and name  HD#)   3.550    1.750    1.750  
assign (resid  24 and name   HA)   (resid  26 and name   HN)   3.650    1.850    1.850  
assign (resid  11 and name  HB1)   (resid  33 and name   HA)   3.650    1.850    1.850  
assign (resid  33 and name   HA)   (resid  35 and name  HG*)   3.460    1.660    1.660  
assign (resid  27 and name HD1#)   (resid  31 and name  HD#)   3.385    1.585    1.585  
assign (resid  27 and name HD1#)   (resid  31 and name  HE#)   3.515    1.715    1.715  
assign (resid  27 and name  HB1)   (resid  31 and name  HE#)   3.555    1.755    1.755  
assign (resid  27 and name  HB2)   (resid  31 and name  HE#)   3.555    1.755    1.755  
assign (resid  27 and name HD2#)   (resid  31 and name  HE#)   3.515    1.715    1.715  
assign (resid  27 and name HD2#)   (resid  31 and name  HD#)   3.385    1.585    1.585  
assign (resid  28 and name   HA)   (resid  31 and name  HD#)   3.180    1.380    1.380  
assign (resid  28 and name   HA)   (resid  31 and name  HE#)   3.385    1.585    1.585  
assign (resid  31 and name  HD#)   (resid  32 and name   HA)   3.370    1.570    1.570  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid   9 and name   HN)   3.640    1.840    1.840  
assign (resid  14 and name   HN)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name   HN)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name  HD#)   (resid  11 and name   HN)   3.195    1.395    1.395  
assign (resid  36 and name   HA)   (resid  38 and name   HN)   3.650    1.850    1.850  
assign (resid  33 and name   HA)   (resid  37 and name   HN)   3.650    1.850    1.850  
assign (resid  21 and name   HN)   (resid  22 and name   HA)   3.650    1.850    1.850  
assign (resid  35 and name  HG*)   (resid  39 and name  HD#)   3.375    1.575    1.575  
assign (resid   5 and name   HA)   (resid  34 and name  HD2)   2.895    1.095    1.095  
assign (resid   5 and name   HA)   (resid  34 and name  HD1)   2.895    1.095    1.095  
assign (resid  33 and name  HB2)   (resid  36 and name   HB)   2.725    0.925    0.925  
assign (resid  33 and name  HB1)   (resid  36 and name   HB)   2.725    0.925    0.925  
assign (resid   4 and name   HA)   (resid  35 and name  HG*)   2.425    0.625    0.625  
assign (resid  11 and name  HB1)   (resid  36 and name HG2#)   2.805    1.005    1.005  
assign (resid  11 and name  HB2)   (resid  36 and name HG2#)   2.805    1.005    1.005  
assign (resid  12 and name  HD#)   (resid  36 and name HG2#)   3.380    1.580    1.580  
assign (resid  15 and name  HB1)   (resid  36 and name HG2#)   2.775    0.975    0.975  
assign (resid  15 and name  HB2)   (resid  36 and name HG2#)   2.775    0.975    0.975  
assign (resid  15 and name  HD#)   (resid  36 and name HG2#)   2.545    0.745    0.745  
assign (resid  13 and name   HA)   (resid  13 and name  HD#)   2.990    1.190    1.190  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   3.100    1.300    1.300  
assign (resid  16 and name   HA)   (resid  16 and name  HD#)   3.085    1.285    1.285  
assign (resid  13 and name   HA)   (resid  16 and name  HB#)   2.735    0.935    0.935  
assign (resid  23 and name   HA)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid  23 and name   HA)   (resid  26 and name   HN)   3.255    1.455    1.455  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.795    0.995    0.995  
assign (resid  27 and name   HN)   (resid  29 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HB#)   (resid   2 and name  HE1)   3.145    1.345    1.345  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.965    1.165    1.165  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.420    0.620    0.620  
assign (resid   5 and name   HN)   (resid  34 and name  HG#)   3.575    1.775    1.775  
assign (resid   5 and name   HN)   (resid  34 and name  HD#)   3.460    1.660    1.660  
assign (resid   5 and name   HA)   (resid  34 and name  HD#)   2.485    0.685    0.685  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   2.660    0.860    0.860  
assign (resid   5 and name  HB#)   (resid  33 and name   HA)   3.005    1.205    1.205  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.530    0.730    0.730  
assign (resid   6 and name   HN)   (resid   6 and name  HG#)   2.855    1.055    1.055  
assign (resid   6 and name   HN)   (resid  32 and name  HB#)   3.495    1.695    1.695  
assign (resid   6 and name   HN)   (resid  34 and name  HD#)   3.250    1.450    1.450
assign (resid   6 and name  HB#)   (resid   6 and name  HG#)   1.990    0.190    0.190  
assign (resid   6 and name  HB#)   (resid   9 and name   HN)   2.870    1.070    1.070  
assign (resid   6 and name  HB#)   (resid  32 and name  HD#)   2.540    0.740    0.740  
assign (resid   6 and name  HB#)   (resid  32 and name  HE#)   2.830    1.030    1.030  
assign (resid   6 and name  HG#)   (resid   7 and name   HN)   2.925    1.125    1.125  
assign (resid   6 and name  HG#)   (resid   8 and name   HN)   3.570    1.770    1.770  
assign (resid   6 and name  HG#)   (resid   9 and name   HN)   3.295    1.495    1.495  
assign (resid   6 and name  HG#)   (resid  32 and name  HD#)   2.675    0.875    0.875  
assign (resid   6 and name  HG#)   (resid  32 and name  HE#)   2.750    0.950    0.950  
assign (resid   7 and name  HG#)   (resid   8 and name  HB#)   3.245    1.445    1.445  
assign (resid   7 and name  HG#)   (resid   8 and name HD2#)   3.515    1.715    1.915  !loosened by 0.2 4th April 2018
assign (resid   7 and name  HD#)   (resid   8 and name HD2#)   3.235    1.435    1.635  !loosened by 0.2 4th April 2018
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.730    0.930    0.930  
assign (resid   8 and name  HB#)   (resid   8 and name HD2#)   2.510    0.710    0.710  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.905    1.105    1.105  
assign (resid   9 and name   HN)   (resid   9 and name  HB#)   2.440    0.640    0.640  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.925    1.125    1.125  
assign (resid   9 and name  HB#)   (resid  11 and name   HN)   3.315    1.515    1.515  
assign (resid   9 and name  HB#)   (resid  32 and name  HE#)   3.105    1.305    1.305  
assign (resid   9 and name  HD#)   (resid  11 and name  HB#)   3.260    1.460    1.460  
assign (resid   9 and name  HE#)   (resid  32 and name  HB#)   2.635    0.835    0.835  
assign (resid   9 and name   HZ)   (resid  32 and name  HB#)   2.850    1.050    1.050  
assign (resid  10 and name  HB#)   (resid  13 and name   HN)   3.570    1.770    1.770  
assign (resid  10 and name  HB#)   (resid  13 and name  HB#)   2.925    1.125    1.125  
assign (resid  10 and name  HB#)   (resid  13 and name   HE)   3.390    1.590    1.590  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.495    0.695    0.695  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.755    0.955    0.955  
assign (resid  11 and name  HB#)   (resid  33 and name   HA)   3.290    1.490    1.490  
assign (resid  11 and name  HB#)   (resid  36 and name   HB)   2.700    0.900    0.900  
assign (resid  11 and name  HB#)   (resid  36 and name HG2#)   2.515    0.715    0.715  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.465    0.665    0.665  
assign (resid  12 and name   HN)   (resid  12 and name  HG#)   2.710    0.910    0.910  
assign (resid  12 and name   HA)   (resid  12 and name  HG#)   2.695    0.895    0.895  
assign (resid  12 and name  HB#)   (resid  12 and name  HD#)   2.630    0.830    0.830  
assign (resid  12 and name  HB#)   (resid  13 and name   HN)   2.605    0.805    0.805  
assign (resid  12 and name  HG#)   (resid  13 and name   HN)   2.905    1.105    1.105  
assign (resid  13 and name   HA)   (resid  13 and name  HG#)   2.550    0.750    0.750  
assign (resid  13 and name  HB#)   (resid  13 and name  HG#)   2.105    0.305    0.305  
assign (resid  13 and name  HB#)   (resid  17 and name HD2#)   3.395    1.595    1.595  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   2.955    1.155    1.155  
assign (resid  13 and name  HG#)   (resid  17 and name   HN)   3.315    1.515    1.515  
assign (resid  13 and name  HG#)   (resid  17 and name HD2#)   2.745    0.945    0.945  
assign (resid  13 and name  HD#)   (resid  17 and name HD2#)   3.200    1.400    1.400  
assign (resid  13 and name   HE)   (resid  17 and name HD2#)   3.540    1.740    1.740  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.475    0.675    0.675  
assign (resid  14 and name   HA)   (resid  17 and name HD2#)   3.350    1.550    1.550  
assign (resid  14 and name  HB#)   (resid  15 and name   HN)   2.780    0.980    0.980  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.335    0.535    0.535  
assign (resid  15 and name  HB#)   (resid  15 and name  HD#)   2.305    0.505    0.505  
assign (resid  15 and name  HB#)   (resid  16 and name   HN)   2.370    0.570    0.570  
assign (resid  15 and name  HB#)   (resid  20 and name   HN)   3.535    1.735    1.735  
assign (resid  15 and name  HB#)   (resid  36 and name HG2#)   2.385    0.585    0.585  
assign (resid  16 and name   HN)   (resid  16 and name  HG#)   2.705    0.905    0.905  
assign (resid  16 and name   HA)   (resid  16 and name  HG#)   2.655    0.855    0.855  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.385    0.585    0.585  
assign (resid  17 and name   HN)   (resid  17 and name HD2#)   3.570    1.770    1.770  
assign (resid  17 and name   HN)   (resid  18 and name  HA#)   3.340    1.540    1.540  
assign (resid  17 and name  HB#)   (resid  17 and name HD2#)   2.490    0.690    0.690  
assign (resid  17 and name  HB#)   (resid  18 and name   HN)   2.865    1.065    1.065  
assign (resid  17 and name  HB#)   (resid  19 and name   HN)   2.915    1.115    1.115  
assign (resid  17 and name HD2#)   (resid  18 and name   HN)   3.075    1.275    1.275  
assign (resid  18 and name  HA#)   (resid  20 and name   HN)   2.870    1.070    1.070  
assign (resid  18 and name  HA#)   (resid  21 and name   HN)   2.945    1.145    1.145  
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.435    0.635    0.635  
assign (resid  19 and name   HA)   (resid  22 and name HD2#)   3.260    1.460    1.460  
assign (resid  19 and name  HB#)   (resid  20 and name   HN)   2.840    1.040    1.040  
assign (resid  20 and name   HN)   (resid  21 and name  HB#)   3.570    1.770    1.770  
assign (resid  20 and name  HB#)   (resid  21 and name   HN)   2.815    1.015    1.015  
assign (resid  21 and name   HN)   (resid  21 and name  HB#)   2.605    0.805    0.805  
assign (resid  21 and name  HB#)   (resid  22 and name   HN)   3.045    1.245    1.245  
assign (resid  22 and name   HN)   (resid  22 and name  HB#)   2.600    0.800    0.800  
assign (resid  22 and name  HB#)   (resid  22 and name HD2#)   2.380    0.580    0.580  
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   2.935    1.135    1.135  
assign (resid  22 and name HD2#)   (resid  23 and name   HN)   3.570    1.770    1.770  
assign (resid  22 and name HD2#)   (resid  24 and name   HN)   3.570    1.770    1.770  
assign (resid  22 and name HD2#)   (resid  25 and name  HG#)   3.085    1.285    1.285  
assign (resid  23 and name   HA)   (resid  26 and name  HB#)   2.570    0.770    0.770  
assign (resid  23 and name   HA)   (resid  26 and name  HD#)   2.905    1.105    1.105  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.745    0.945    0.945  
assign (resid  24 and name   HN)   (resid  26 and name  HD#)   3.380    1.580    1.580  
assign (resid  25 and name   HN)   (resid  25 and name  HD#)   2.810    1.010    1.010  
assign (resid  25 and name   HA)   (resid  25 and name  HD#)   3.185    1.385    1.385  
assign (resid  25 and name  HB#)   (resid  25 and name  HD#)   2.335    0.535    0.535  
assign (resid  25 and name  HB#)   (resid  25 and name  HE#)   2.655    0.855    0.855  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   3.115    1.315    1.315  
assign (resid  25 and name  HG#)   (resid  25 and name  HE#)   2.655    0.855    0.855  
assign (resid  25 and name  HD#)   (resid  26 and name   HN)   3.435    1.635    1.635  
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.680    0.880    0.880  
assign (resid  26 and name   HN)   (resid  26 and name  HD#)   3.135    1.335    1.335  
assign (resid  26 and name   HN)   (resid  29 and name  HB#)   3.280    1.480    1.480  
assign (resid  26 and name   HA)   (resid  26 and name  HD#)   2.685    0.885    0.885  
assign (resid  26 and name  HB#)   (resid  27 and name   HN)   2.720    0.920    0.920  
assign (resid  26 and name  HB#)   (resid  27 and name   HA)   3.090    1.290    1.290  
assign (resid  26 and name  HD#)   (resid  27 and name   HN)   3.610    1.810    2.010  !loosened 0.2 4th April 2018
assign (resid  26 and name  HD#)   (resid  28 and name   HN)   3.585    1.785    1.785  
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.735    0.935    0.935  
assign (resid  27 and name   HN)   (resid  27 and name  HD#)   3.620    1.820    1.820  
assign (resid  27 and name  HB#)   (resid  29 and name   HN)   3.570    1.770    1.770  
assign (resid  27 and name  HB#)   (resid  31 and name  HD#)   3.490    1.690    1.690  
assign (resid  27 and name  HD#)   (resid  28 and name   HN)   3.300    1.500    1.500  
!assign (resid  27 and name  HD#)   (resid  30 and name   HN)   3.545    1.745    1.745  !Removed by Taylor 3 April 2018
assign (resid  27 and name  HD#)   (resid  31 and name  HD#)   3.090    1.290    1.290  
assign (resid  27 and name  HD#)   (resid  31 and name  HE#)   3.155    1.355    1.355  
!assign (resid  27 and name  HD#)   (resid  39 and name  HD#)   2.915    1.115    1.115  !Removed by Taylor 5 April 2018
!assign (resid  27 and name  HD#)   (resid  39 and name  HE#)   2.830    1.030    1.030  !Removed by Taylor 5 April 2018
!assign (resid  27 and name  HD#)   (resid  39 and name   HZ)   2.755    0.955    0.955  !Removed by Taylor 3 April 2018
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.550    0.750    0.750  
assign (resid  28 and name   HN)   (resid  28 and name  HG#)   3.020    1.220    1.220  
assign (resid  28 and name   HA)   (resid  28 and name  HG#)   2.615    0.815    0.815  
assign (resid  28 and name  HB#)   (resid  29 and name   HN)   2.835    1.035    1.035  
assign (resid  29 and name   HN)   (resid  29 and name  HB#)   2.675    0.875    0.875  
assign (resid  29 and name  HB#)   (resid  29 and name  HE#)   2.505    0.705    0.705  
assign (resid  29 and name  HB#)   (resid  30 and name   HN)   2.725    0.925    0.925  
assign (resid  30 and name  HA#)   (resid  39 and name  HD#)   2.695    0.895    0.895  
assign (resid  30 and name  HA#)   (resid  39 and name  HE#)   3.000    1.200    1.200  
assign (resid  31 and name  HB#)   (resid  32 and name   HN)   2.620    0.820    0.820  
assign (resid  31 and name  HB#)   (resid  32 and name   HA)   3.050    1.250    1.250  
assign (resid  31 and name  HD#)   (resid  32 and name  HB#)   3.185    1.385    1.385  
assign (resid  31 and name  HE#)   (resid  32 and name  HB#)   3.415    1.615    1.615  
assign (resid  32 and name   HN)   (resid  32 and name  HB#)   2.545    0.745    0.745  
assign (resid  32 and name   HN)   (resid  33 and name  HB#)   3.570    1.770    1.770  
assign (resid  32 and name   HN)   (resid  34 and name  HD#)   3.325    1.525    1.525  
assign (resid  32 and name  HB#)   (resid  33 and name   HN)   2.760    0.960    0.960  
assign (resid  33 and name   HN)   (resid  34 and name  HD#)   2.685    0.885    0.885  
assign (resid  33 and name   HA)   (resid  34 and name  HG#)   3.310    1.510    1.510  
assign (resid  33 and name   HA)   (resid  34 and name  HD#)   2.495    0.695    0.695  
assign (resid  33 and name  HB#)   (resid  36 and name   HN)   3.150    1.350    1.350  
assign (resid  33 and name  HB#)   (resid  36 and name   HB)   2.435    0.635    0.635  
assign (resid  33 and name  HB#)   (resid  36 and name HG2#)   2.980    1.180    1.180  
assign (resid  33 and name  HB#)   (resid  37 and name   HN)   2.945    1.145    1.145  
assign (resid  34 and name   HA)   (resid  39 and name  HB#)   2.705    0.905    0.905  
assign (resid  34 and name  HB#)   (resid  39 and name  HD#)   2.665    0.865    0.865  
assign (resid  34 and name  HG#)   (resid  35 and name   HN)   2.535    0.735    0.735  
assign (resid  34 and name  HG#)   (resid  36 and name   HN)   3.385    1.585    1.585  
assign (resid  34 and name  HD#)   (resid  35 and name   HN)   2.800    1.000    1.000  
assign (resid  37 and name   HN)   (resid  37 and name  HB#)   2.480    0.680    0.680  
assign (resid  37 and name  HB#)   (resid  39 and name  HD#)   2.810    1.010    1.010  
assign (resid  37 and name  HB#)   (resid  39 and name  HE#)   2.735    0.935    0.935  
assign (resid  37 and name  HB#)   (resid  39 and name   HZ)   2.830    1.030    1.030  
assign (resid  38 and name   HN)   (resid  39 and name  HB#)   3.465    1.665    1.665  
assign (resid  39 and name   HN)   (resid  40 and name  HB#)   3.465    1.665    1.665  
assign (resid  39 and name  HB#)   (resid  40 and name   HN)   3.005    1.205    1.205  
assign (resid  40 and name   HN)   (resid  40 and name  HB#)   2.735    0.935    0.935  
assign (resid  40 and name  HB#)   (resid  40 and name   H1)   3.025    1.225    1.225  
assign (resid  40 and name  HB#)   (resid  40 and name   H2)   3.045    1.245    1.245  

!Dihedral.tbl
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0  -78.2   28.1 2 
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  132.5   20.0 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0  -66.2   20.0 2
!assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  141.9   21.7 2 !Removed by David on 16th of March (Caused violations of 4 degrees or more in 6 structures when annealed with 100. 20 crashed therefore something wrong)
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -95.9   57.2 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  141.7   30.2 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -72.8   20.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  137.6   23.5 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -72.4   26.2 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  128.5   30.5 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -65.0   20.0 2
!assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  -24.9   20.0 2 ! Removed by David 28th March
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -79.8   21.7 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0   -7.4   23.8 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0  -83.7   61.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  133.5   39.8 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0  -84.4   20.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0   90.4   24.5 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -62.8   20.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  -39.8   20.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0  -66.2   20.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  -40.4   20.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -64.7   20.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  -42.6   20.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0  -66.5   20.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  -40.7   20.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0  -67.1   20.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  -35.8   20.0 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0  -68.4   20.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  -32.7   20.0 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -64.6   20.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  -34.5   20.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -72.5   20.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  -17.3   22.6 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0 -104.2   20.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0   10.9   20.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0  -67.4   20.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  138.6   25.6 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0 -100.0   80.0 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -76.2   34.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -15.1   47.3 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0 -105.0   25.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0    1.6   23.9 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -62.9   20.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -45.7   20.0 2
assign (resid 26    and name C    ) (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    )    1.0  -66.1   20.0 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    ) (resid 28    and name N    )    1.0  -34.2   20.0 2 
assign (resid 27    and name C    ) (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    )    1.0  -75.0   25.1 2
assign (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    ) (resid 29    and name N    )    1.0  -15.3   21.3 2
assign (resid 28    and name C    ) (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    )    1.0  -78.5   20.0 2
assign (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    ) (resid 30    and name N    )    1.0  -11.8   22.0 2
assign (resid 32    and name C    ) (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    )    1.0 -115.6   49.3 2
assign (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    ) (resid 34    and name N    )    1.0  103.4   69.2 2
assign (resid 34    and name N    ) (resid 34    and name CA   ) (resid 34    and name C    ) (resid 35    and name N    )    1.0  -34.8   20.0 2
assign (resid 34    and name C    ) (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    )    1.0  -66.4   20.0 2
assign (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    ) (resid 36    and name N    )    1.0  -39.1   21.2 2
assign (resid 35    and name C    ) (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    )    1.0  -65.6   20.0 2
assign (resid 36    and name N    ) (resid 36    and name CA   ) (resid 36    and name C    ) (resid 37    and name N    )    1.0  -32.1   20.0 2
assign (resid 36    and name C    ) (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name C    )    1.0  -84.1   20.0 2
assign (resid 37    and name N    ) (resid 37    and name CA   ) (resid 37    and name C    ) (resid 38    and name N    )    1.0   -9.2   20.0 2
assign (resid 37    and name C    ) (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    )    1.0   76.0   20.4 2
assign (resid 38    and name N    ) (resid 38    and name CA   ) (resid 38    and name C    ) (resid 39    and name N    )    1.0   28.6   20.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name CB   ) (resid 5     and name CG   )    1.0  -60.0   30.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name CB   ) (resid 9     and name CG   )    1.0  180.0   30.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name CB   ) (resid 10    and name CG   )    1.0  180.0   30.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name CB   ) (resid 11    and name SG   )    1.0  -60.0   30.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name CB   ) (resid 14    and name OG   )    1.0  -60.0   30.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name CB   ) (resid 15    and name CG   )    1.0  180.0   30.0 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name CB   ) (resid 17    and name CG   )    1.0  -60.0   30.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name CB   ) (resid 19    and name CG   )    1.0  -60.0   30.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name CB   ) (resid 20    and name SG   )    1.0  180.0   30.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name CB   ) (resid 21    and name CG   )    1.0  180.0   30.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name CB   ) (resid 22    and name CG   )    1.0  180.0   30.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name CB   ) (resid 26    and name CG   )    1.0  -60.0   30.0 2
assign (resid 39    and name N    ) (resid 39    and name CA   ) (resid 39    and name CB   ) (resid 39    and name CG   )    1.0  -60.0   30.0 2

!hbonds.tbl
assign (resid 6    and name HN   ) (resid 32    and name O )    0.00    0.00    2.30
assign (resid 6    and name N    ) (resid 32    and name O )    0.00    0.00    3.30
assign (resid 13    and name HN   ) (resid 10    and name OD1 and resid 10 and name OD2)    0.00    0.00    2.30
assign (resid 13    and name N    ) (resid 10    and name OD1 and resid 10 and name OD2)    0.00    0.00    3.30
assign (resid 14    and name HN   ) (resid 10    and name O )    0.00    0.00    2.30
assign (resid 14    and name N    ) (resid 10    and name O )    0.00    0.00    3.30
assign (resid 15    and name HN   ) (resid 11    and name O )    0.00    0.00    2.30
assign (resid 15    and name N    ) (resid 11    and name O )    0.00    0.00    3.30
assign (resid 16    and name HN   ) (resid 12    and name O )    0.00    0.00    2.30
assign (resid 16    and name N    ) (resid 12    and name O )    0.00    0.00    3.30
assign (resid 17    and name HN   ) (resid 13    and name O )    0.00    0.00    2.30
assign (resid 17    and name N    ) (resid 13    and name O )    0.00    0.00    3.30
assign (resid 18    and name HN   ) (resid 14    and name O )    0.00    0.00    2.30
assign (resid 18    and name N    ) (resid 14    and name O )    0.00    0.00    3.30
assign (resid 19    and name HN   ) (resid 14    and name O )    0.00    0.00    2.30
assign (resid 19    and name N    ) (resid 14    and name O )    0.00    0.00    3.30
assign (resid 21    and name HN   ) (resid 18    and name O )    0.00    0.00    2.30
assign (resid 21    and name N    ) (resid 18    and name O )    0.00    0.00    3.30
assign (resid 25    and name HN   ) (resid 22    and name O )    0.00    0.00    2.30
assign (resid 25    and name N    ) (resid 22    and name O )    0.00    0.00    3.30
assign (resid 26    and name HN   ) (resid 23    and name O )    0.00    0.00    2.30
assign (resid 26    and name N    ) (resid 23    and name O )    0.00    0.00    3.30

assign (resid 29    and name HN   ) (resid 26    and name O )    0.00    0.00    2.30
assign (resid 29    and name N    ) (resid 26    and name O )    0.00    0.00    3.30
assign (resid 30    and name HN   ) (resid 27    and name O )    0.00    0.00    2.30
assign (resid 30    and name N    ) (resid 27    and name O )    0.00    0.00    3.30
assign (resid 35    and name HN   ) (resid 5    and name OD1 or resid 5 and name OD2 )    0.00    0.00    2.30
assign (resid 35    and name N    ) (resid 5    and name OD1 or resid 5 and name OD2 )    0.00    0.00    3.30
assign (resid 37    and name HN   ) (resid 33    and name O )    0.00    0.00    2.30
assign (resid 37    and name N    ) (resid 33    and name O )    0.00    0.00    3.30
assign (resid 39    and name HN   ) (resid 34    and name O )    0.00    0.00    2.30
assign (resid 39    and name N    ) (resid 34    and name O )    0.00    0.00    3.30

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           HT1      GLU   1  -1.770  17.356   0.553
    2    H2   GLU   1           HT2      GLU   1  -0.643  17.215  -0.698
    3    H3   GLU   1           HT3      GLU   1  -0.334  16.541   0.827
    4    HA   GLU   1           HA       GLU   1  -2.501  15.688  -0.956
    5    HB2  GLU   1           HB2      GLU   1  -0.239  15.111  -1.813
    6    HB3  GLU   1           HB1      GLU   1   0.131  14.352  -0.277
    7    HG2  GLU   1           HG2      GLU   1  -0.411  12.664  -1.901
    8    HG3  GLU   1           HG1      GLU   1  -1.678  12.724  -0.678
    9    H    HIS   2           H        HIS   2  -4.112  15.307   0.508
   10    HA   HIS   2           HA       HIS   2  -3.431  14.063   3.024
   11    HB2  HIS   2           HB2      HIS   2  -6.129  14.847   1.865
   12    HB3  HIS   2           HB1      HIS   2  -5.913  14.099   3.442
   13    HD1  HIS   2           HD1      HIS   2  -6.450  17.340   2.076
   14    HD2  HIS   2           HD2      HIS   2  -3.958  15.801   5.031
   15    HE1  HIS   2           HE1      HIS   2  -5.763  19.290   3.489
   16    H    CYS   3           H        CYS   3  -3.129  12.033   3.138
   17    HA   CYS   3           HA       CYS   3  -3.644  10.410   0.834
   18    HB2  CYS   3           HB2      CYS   3  -2.215   8.799   2.053
   19    HB3  CYS   3           HB1      CYS   3  -1.464  10.375   1.802
   20    H    ALA   4           H        ALA   4  -4.820   8.493   0.832
   21    HA   ALA   4           HA       ALA   4  -6.106   7.588   3.246
   22    HB1  ALA   4           HB1      ALA   4  -7.698   9.257   2.419
   23    HB2  ALA   4           HB2      ALA   4  -8.353   7.631   2.227
   24    HB3  ALA   4           HB3      ALA   4  -7.696   8.488   0.833
   25    H    ASP   5           H        ASP   5  -6.140   5.433   3.189
   26    HA   ASP   5           HA       ASP   5  -5.063   3.933   1.079
   27    HB2  ASP   5           HB2      ASP   5  -7.021   2.898   3.136
   28    HB3  ASP   5           HB1      ASP   5  -5.875   1.944   2.209
   29    H    GLU   6           H        GLU   6  -5.914   2.802  -0.543
   30    HA   GLU   6           HA       GLU   6  -8.277   3.775  -1.733
   31    HB2  GLU   6           HB2      GLU   6  -6.000   2.587  -2.684
   32    HB3  GLU   6           HB1      GLU   6  -7.118   1.240  -2.762
   33    HG2  GLU   6           HG2      GLU   6  -7.415   3.912  -4.111
   34    HG3  GLU   6           HG1      GLU   6  -7.047   2.367  -4.873
   35    H    LYS   7           H        LYS   7 -10.116   2.556  -2.294
   36    HA   LYS   7           HA       LYS   7 -11.087   0.954  -0.094
   37    HB2  LYS   7           HB2      LYS   7 -13.274   1.339  -1.020
   38    HB3  LYS   7           HB1      LYS   7 -12.378   2.845  -0.892
   39    HG2  LYS   7           HG2      LYS   7 -11.794   2.515  -3.354
   40    HG3  LYS   7           HG1      LYS   7 -13.038   1.268  -3.362
   41    HD2  LYS   7           HD2      LYS   7 -14.122   3.230  -4.084
   42    HD3  LYS   7           HD1      LYS   7 -14.551   2.990  -2.377
   43    HE2  LYS   7           HE2      LYS   7 -14.011   5.343  -2.833
   44    HE3  LYS   7           HE1      LYS   7 -12.897   4.625  -1.682
   45    HZ1  LYS   7           HZ1      LYS   7 -12.361   5.105  -4.573
   46    HZ2  LYS   7           HZ2      LYS   7 -11.268   4.357  -3.543
   47    HZ3  LYS   7           HZ3      LYS   7 -11.716   5.952  -3.284
   48    H    ASN   8           H        ASN   8 -10.360   0.551  -3.415
   49    HA   ASN   8           HA       ASN   8 -11.584  -2.115  -3.464
   50    HB2  ASN   8           HB2      ASN   8 -10.411  -0.472  -5.712
   51    HB3  ASN   8           HB1      ASN   8 -11.050  -2.098  -5.915
   52   HD21  ASN   8          HD21      ASN   8 -11.909   0.435  -7.095
   53   HD22  ASN   8          HD22      ASN   8 -13.565   0.615  -6.675
   54    H    PHE   9           H        PHE   9  -8.568  -0.624  -3.229
   55    HA   PHE   9           HA       PHE   9  -7.010  -3.004  -3.902
   56    HB2  PHE   9           HB2      PHE   9  -6.260  -0.543  -4.138
   57    HB3  PHE   9           HB1      PHE   9  -6.089  -0.583  -2.386
   58    HD1  PHE   9           HD1      PHE   9  -5.074  -2.345  -5.442
   59    HD2  PHE   9           HD2      PHE   9  -4.146  -1.378  -1.431
   60    HE1  PHE   9           HE1      PHE   9  -2.913  -3.352  -5.731
   61    HE2  PHE   9           HE2      PHE   9  -1.931  -2.381  -1.689
   62    HZ   PHE   9           HZ       PHE   9  -1.278  -3.365  -3.835
   63    H    ASP  10           H        ASP  10  -6.600  -4.583  -2.413
   64    HA   ASP  10           HA       ASP  10  -7.644  -4.081   0.237
   65    HB2  ASP  10           HB2      ASP  10  -8.062  -6.286  -0.925
   66    HB3  ASP  10           HB1      ASP  10  -6.354  -6.654  -0.670
   67    H    CYS  11           H        CYS  11  -6.480  -3.059   1.544
   68    HA   CYS  11           HA       CYS  11  -3.666  -2.798   1.348
   69    HB2  CYS  11           HB2      CYS  11  -5.509  -1.877   3.576
   70    HB3  CYS  11           HB1      CYS  11  -3.884  -1.311   3.227
   71    H    ARG  12           H        ARG  12  -5.778  -4.894   3.136
   72    HA   ARG  12           HA       ARG  12  -3.894  -5.382   5.273
   73    HB2  ARG  12           HB2      ARG  12  -6.356  -6.967   4.548
   74    HB3  ARG  12           HB1      ARG  12  -5.475  -7.030   6.067
   75    HG2  ARG  12           HG2      ARG  12  -7.019  -4.688   4.991
   76    HG3  ARG  12           HG1      ARG  12  -7.505  -5.748   6.314
   77    HD2  ARG  12           HD2      ARG  12  -5.611  -4.979   7.636
   78    HD3  ARG  12           HD1      ARG  12  -5.057  -3.986   6.290
   79    HE   ARG  12           HE       ARG  12  -7.707  -3.358   6.929
   80   HH11  ARG  12          HH11      ARG  12  -4.441  -2.952   8.281
   81   HH12  ARG  12          HH12      ARG  12  -4.757  -1.429   8.963
   82   HH21  ARG  12          HH21      ARG  12  -8.151  -1.266   7.952
   83   HH22  ARG  12          HH22      ARG  12  -6.911  -0.457   8.771
   84    H    ARG  13           H        ARG  13  -5.099  -7.124   2.493
   85    HA   ARG  13           HA       ARG  13  -3.579  -9.459   2.732
   86    HB2  ARG  13           HB2      ARG  13  -5.493  -9.103   1.199
   87    HB3  ARG  13           HB1      ARG  13  -4.482  -8.041   0.236
   88    HG2  ARG  13           HG2      ARG  13  -2.952  -9.966  -0.150
   89    HG3  ARG  13           HG1      ARG  13  -4.140 -10.994   0.660
   90    HD2  ARG  13           HD2      ARG  13  -4.586  -9.316  -1.785
   91    HD3  ARG  13           HD1      ARG  13  -4.461 -11.080  -1.739
   92    HE   ARG  13           HE       ARG  13  -6.468 -10.682  -0.090
   93   HH11  ARG  13          HH11      ARG  13  -5.892  -9.092  -3.217
   94   HH12  ARG  13          HH12      ARG  13  -7.530  -8.969  -3.621
   95   HH21  ARG  13          HH21      ARG  13  -8.769 -10.538  -0.682
   96   HH22  ARG  13          HH22      ARG  13  -9.207  -9.834  -2.151
   97    H    SER  14           H        SER  14  -3.006  -6.468   0.933
   98    HA   SER  14           HA       SER  14  -0.539  -7.189  -0.157
   99    HB2  SER  14           HB2      SER  14  -1.526  -4.414   0.534
  100    HB3  SER  14           HB1      SER  14  -0.252  -4.804  -0.625
  101    HG   SER  14           HG       SER  14  -3.021  -5.114  -0.832
  102    H    LEU  15           H        LEU  15  -1.305  -5.765   2.969
  103    HA   LEU  15           HA       LEU  15   1.386  -5.219   3.704
  104    HB2  LEU  15           HB2      LEU  15  -0.603  -4.150   4.736
  105    HB3  LEU  15           HB1      LEU  15  -1.027  -5.686   5.453
  106    HG   LEU  15           HG       LEU  15   1.084  -5.640   6.745
  107   HD11  LEU  15          HD11      LEU  15   1.354  -2.865   5.606
  108   HD12  LEU  15          HD12      LEU  15   2.394  -4.250   5.273
  109   HD13  LEU  15          HD13      LEU  15   2.349  -3.555   6.894
  110   HD21  LEU  15          HD21      LEU  15  -0.998  -4.865   7.733
  111   HD22  LEU  15          HD22      LEU  15  -0.705  -3.240   7.109
  112   HD23  LEU  15          HD23      LEU  15   0.370  -3.924   8.332
  113    H    ARG  16           H        ARG  16  -0.865  -7.915   4.221
  114    HA   ARG  16           HA       ARG  16   0.734  -9.445   5.882
  115    HB2  ARG  16           HB2      ARG  16  -1.641  -9.662   5.774
  116    HB3  ARG  16           HB1      ARG  16  -1.583 -10.018   4.060
  117    HG2  ARG  16           HG2      ARG  16  -2.041 -11.961   5.351
  118    HG3  ARG  16           HG1      ARG  16  -0.486 -12.057   4.493
  119    HD2  ARG  16           HD2      ARG  16  -0.360 -12.949   6.838
  120    HD3  ARG  16           HD1      ARG  16   0.730 -11.600   6.527
  121    HE   ARG  16           HE       ARG  16  -1.761 -10.725   7.555
  122   HH11  ARG  16          HH11      ARG  16   1.332 -12.134   8.555
  123   HH12  ARG  16          HH12      ARG  16   1.241 -11.552  10.142
  124   HH21  ARG  16          HH21      ARG  16  -1.860  -9.915   9.724
  125   HH22  ARG  16          HH22      ARG  16  -0.607 -10.259  10.834
  126    H    ASN  17           H        ASN  17   0.404  -9.222   2.393
  127    HA   ASN  17           HA       ASN  17   1.914 -11.541   1.693
  128    HB2  ASN  17           HB2      ASN  17   1.586  -8.963   0.140
  129    HB3  ASN  17           HB1      ASN  17   2.256 -10.448  -0.493
  130   HD21  ASN  17          HD21      ASN  17   0.080  -8.816  -1.322
  131   HD22  ASN  17          HD22      ASN  17  -1.324  -9.833  -1.419
  132    H    GLY  18           H        GLY  18   2.638  -8.153   2.053
  133    HA2  GLY  18           HA2      GLY  18   4.761  -7.479   3.021
  134    HA3  GLY  18           HA1      GLY  18   5.493  -8.822   2.138
  135    H    ASP  19           H        ASP  19   3.017  -7.115   0.500
  136    HA   ASP  19           HA       ASP  19   4.588  -6.393  -1.692
  137    HB2  ASP  19           HB2      ASP  19   1.945  -5.258  -0.749
  138    HB3  ASP  19           HB1      ASP  19   2.690  -4.823  -2.275
  139    H    CYS  20           H        CYS  20   3.676  -4.659   1.166
  140    HA   CYS  20           HA       CYS  20   4.746  -2.167   0.228
  141    HB2  CYS  20           HB2      CYS  20   2.768  -2.330   1.746
  142    HB3  CYS  20           HB1      CYS  20   3.838  -2.899   3.016
  143    H    ASP  21           H        ASP  21   6.286  -4.891   1.338
  144    HA   ASP  21           HA       ASP  21   8.393  -3.307   2.630
  145    HB2  ASP  21           HB2      ASP  21   7.487  -5.491   3.632
  146    HB3  ASP  21           HB1      ASP  21   8.314  -6.302   2.314
  147    H    ASN  22           H        ASN  22   7.434  -4.463  -0.290
  148    HA   ASN  22           HA       ASN  22  10.039  -5.007  -1.429
  149    HB2  ASN  22           HB2      ASN  22   8.150  -6.338  -2.193
  150    HB3  ASN  22           HB1      ASN  22   7.232  -4.905  -2.599
  151   HD21  ASN  22          HD21      ASN  22   7.942  -7.238  -4.233
  152   HD22  ASN  22          HD22      ASN  22   8.808  -6.615  -5.583
  153    H    ASP  23           H        ASP  23  11.276  -3.489  -2.211
  154    HA   ASP  23           HA       ASP  23  10.822  -0.776  -1.901
  155    HB2  ASP  23           HB2      ASP  23  13.059  -1.649  -2.021
  156    HB3  ASP  23           HB1      ASP  23  12.807  -2.176  -3.680
  157    H    ASP  24           H        ASP  24  10.371  -2.731  -4.798
  158    HA   ASP  24           HA       ASP  24   9.912  -0.378  -6.398
  159    HB2  ASP  24           HB2      ASP  24   9.648  -3.310  -7.077
  160    HB3  ASP  24           HB1      ASP  24   9.333  -2.008  -8.222
  161    H    LYS  25           H        LYS  25   8.050  -2.331  -4.417
  162    HA   LYS  25           HA       LYS  25   5.580  -1.470  -5.666
  163    HB2  LYS  25           HB2      LYS  25   6.266  -3.414  -3.535
  164    HB3  LYS  25           HB1      LYS  25   4.627  -2.794  -3.673
  165    HG2  LYS  25           HG2      LYS  25   4.390  -3.675  -5.824
  166    HG3  LYS  25           HG1      LYS  25   6.113  -4.063  -5.921
  167    HD2  LYS  25           HD2      LYS  25   5.955  -5.761  -4.419
  168    HD3  LYS  25           HD1      LYS  25   4.461  -5.133  -3.720
  169    HE2  LYS  25           HE2      LYS  25   4.649  -6.137  -6.542
  170    HE3  LYS  25           HE1      LYS  25   4.239  -7.203  -5.191
  171    HZ1  LYS  25           HZ1      LYS  25   2.274  -6.186  -6.431
  172    HZ2  LYS  25           HZ2      LYS  25   2.659  -4.709  -5.717
  173    HZ3  LYS  25           HZ3      LYS  25   2.305  -6.056  -4.768
  174    H    LEU  26           H        LEU  26   7.722  -0.360  -3.412
  175    HA   LEU  26           HA       LEU  26   6.105   0.814  -1.477
  176    HB2  LEU  26           HB2      LEU  26   8.668   1.816  -2.685
  177    HB3  LEU  26           HB1      LEU  26   7.873   2.614  -1.337
  178    HG   LEU  26           HG       LEU  26   8.898  -0.220  -1.312
  179   HD11  LEU  26          HD11      LEU  26  10.027   2.306  -0.120
  180   HD12  LEU  26          HD12      LEU  26  10.711   1.408  -1.475
  181   HD13  LEU  26          HD13      LEU  26  10.660   0.679   0.134
  182   HD21  LEU  26          HD21      LEU  26   8.543  -0.033   1.101
  183   HD22  LEU  26          HD22      LEU  26   7.040   0.128   0.198
  184   HD23  LEU  26          HD23      LEU  26   7.823   1.562   0.867
  185    H    LEU  27           H        LEU  27   6.951   2.094  -4.694
  186    HA   LEU  27           HA       LEU  27   5.679   4.524  -4.588
  187    HB2  LEU  27           HB2      LEU  27   7.123   3.886  -6.368
  188    HB3  LEU  27           HB1      LEU  27   6.121   2.500  -6.758
  189    HG   LEU  27           HG       LEU  27   4.337   4.111  -7.226
  190   HD11  LEU  27          HD11      LEU  27   5.046   6.391  -7.968
  191   HD12  LEU  27          HD12      LEU  27   6.647   6.057  -7.306
  192   HD13  LEU  27          HD13      LEU  27   5.245   6.115  -6.239
  193   HD21  LEU  27          HD21      LEU  27   5.150   4.497  -9.536
  194   HD22  LEU  27          HD22      LEU  27   5.369   2.863  -8.898
  195   HD23  LEU  27          HD23      LEU  27   6.752   3.960  -8.990
  196    H    GLU  28           H        GLU  28   4.552   1.346  -5.555
  197    HA   GLU  28           HA       GLU  28   1.931   1.916  -6.342
  198    HB2  GLU  28           HB2      GLU  28   3.074  -0.169  -6.908
  199    HB3  GLU  28           HB1      GLU  28   3.204  -0.589  -5.218
  200    HG2  GLU  28           HG2      GLU  28   0.828  -0.943  -5.069
  201    HG3  GLU  28           HG1      GLU  28   0.609  -0.365  -6.723
  202    H    MET  29           H        MET  29   3.372   1.282  -3.273
  203    HA   MET  29           HA       MET  29   0.820   0.939  -1.950
  204    HB2  MET  29           HB2      MET  29   3.641   0.850  -0.939
  205    HB3  MET  29           HB1      MET  29   2.247   0.671   0.122
  206    HG2  MET  29           HG2      MET  29   3.095  -1.127  -2.144
  207    HG3  MET  29           HG1      MET  29   3.085  -1.486  -0.418
  208    HE1  MET  29           HE1      MET  29   0.820  -1.523   1.022
  209    HE2  MET  29           HE2      MET  29  -0.792  -1.444   0.293
  210    HE3  MET  29          3HE       MET  29   0.277  -0.028   0.253
  211    H    GLY  30           H        GLY  30   3.066   3.357  -2.514
  212    HA2  GLY  30           HA2      GLY  30   2.491   5.154  -0.401
  213    HA3  GLY  30           HA1      GLY  30   3.209   5.586  -1.946
  214    H    TYR  31           H        TYR  31   0.933   4.529  -3.436
  215    HA   TYR  31           HA       TYR  31  -0.892   6.663  -2.751
  216    HB2  TYR  31           HB2      TYR  31  -1.770   6.577  -5.078
  217    HB3  TYR  31           HB1      TYR  31  -0.098   7.092  -4.855
  218    HD1  TYR  31           HD1      TYR  31  -2.198   4.252  -5.907
  219    HD2  TYR  31           HD2      TYR  31   1.595   6.120  -6.048
  220    HE1  TYR  31           HE1      TYR  31  -1.531   2.732  -7.666
  221    HE2  TYR  31           HE2      TYR  31   2.299   4.609  -7.798
  222    HH   TYR  31           HH       TYR  31   0.034   2.579  -9.429
  223    H    TYR  32           H        TYR  32  -0.830   3.321  -3.385
  224    HA   TYR  32           HA       TYR  32  -3.660   3.057  -3.250
  225    HB2  TYR  32           HB2      TYR  32  -1.505   0.980  -3.170
  226    HB3  TYR  32           HB1      TYR  32  -3.152   0.545  -2.764
  227    HD1  TYR  32           HD1      TYR  32  -0.972   0.299  -5.289
  228    HD2  TYR  32           HD2      TYR  32  -4.835   1.888  -4.562
  229    HE1  TYR  32           HE1      TYR  32  -1.509   0.070  -7.670
  230    HE2  TYR  32           HE2      TYR  32  -5.395   1.680  -6.905
  231    HH   TYR  32           HH       TYR  32  -4.296   1.513  -9.040
  232    H    CYS  33           H        CYS  33  -1.270   2.087  -0.775
  233    HA   CYS  33           HA       CYS  33  -3.398   2.669   1.140
  234    HB2  CYS  33           HB2      CYS  33  -1.760   0.147   1.173
  235    HB3  CYS  33           HB1      CYS  33  -2.949   0.633   2.383
  236    HA   PRO  34           HA       PRO  34   0.713   4.409   2.190
  237    HB2  PRO  34           HB2      PRO  34  -0.010   6.981   2.515
  238    HB3  PRO  34           HB1      PRO  34   0.308   6.286   0.919
  239    HG2  PRO  34           HG2      PRO  34  -2.313   6.743   2.289
  240    HG3  PRO  34           HG1      PRO  34  -1.868   7.088   0.609
  241    HD2  PRO  34           HD2      PRO  34  -3.247   4.890   1.369
  242    HD3  PRO  34           HD1      PRO  34  -2.160   4.904  -0.036
  243    H    VAL  35           H        VAL  35  -2.387   4.587   3.670
  244    HA   VAL  35           HA       VAL  35  -1.338   5.668   6.092
  245    HB   VAL  35           HB       VAL  35  -4.118   4.626   5.533
  246   HG11  VAL  35          HG11      VAL  35  -4.785   5.971   7.478
  247   HG12  VAL  35          HG12      VAL  35  -3.096   6.399   7.754
  248   HG13  VAL  35          3HG1      VAL  35  -3.619   4.724   7.926
  249   HG21  VAL  35          HG21      VAL  35  -4.700   6.993   5.180
  250   HG22  VAL  35          HG22      VAL  35  -3.477   6.426   4.037
  251   HG23  VAL  35          HG23      VAL  35  -3.000   7.420   5.402
  252    H    THR  36           H        THR  36  -2.487   2.649   4.803
  253    HA   THR  36           HA       THR  36  -2.209   1.021   7.072
  254    HB   THR  36           HB       THR  36  -1.838   0.267   4.159
  255    HG1  THR  36           HG1      THR  36  -3.825   1.254   4.464
  256   HG21  THR  36          HG21      THR  36  -2.572  -1.993   4.866
  257   HG22  THR  36          HG22      THR  36  -2.669  -1.443   6.535
  258   HG23  THR  36          HG23      THR  36  -1.108  -1.517   5.721
  259    H    CYS  37           H        CYS  37   0.156   2.077   4.658
  260    HA   CYS  37           HA       CYS  37   2.238   0.485   5.857
  261    HB2  CYS  37           HB2      CYS  37   2.289   2.514   3.635
  262    HB3  CYS  37           HB1      CYS  37   3.717   1.657   4.203
  263    H    GLY  38           H        GLY  38   0.789   3.163   6.906
  264    HA2  GLY  38           HA2      GLY  38   1.292   4.570   8.621
  265    HA3  GLY  38           HA1      GLY  38   2.787   3.678   8.826
  266    H    PHE  39           H        PHE  39   2.059   5.251   5.770
  267    HA   PHE  39           HA       PHE  39   4.430   6.862   6.044
  268    HB2  PHE  39           HB2      PHE  39   2.258   7.032   3.935
  269    HB3  PHE  39           HB1      PHE  39   3.816   7.833   3.868
  270    HD1  PHE  39           HD1      PHE  39   5.703   5.741   4.557
  271    HD2  PHE  39           HD2      PHE  39   2.160   5.567   2.267
  272    HE1  PHE  39           HE1      PHE  39   6.630   3.827   3.308
  273    HE2  PHE  39           HE2      PHE  39   3.059   3.627   1.000
  274    HZ   PHE  39           HZ       PHE  39   5.303   2.767   1.528
  275    HA   CYS  40           HA       CYS  40   1.265   9.616   7.830
  276    HB2  CYS  40           HB2      CYS  40  -0.354  10.837   6.233
  277    HB3  CYS  40           HB1      CYS  40   1.349  10.747   5.780
  278    HN1  NH2  41           H1       CYS  40   0.298   8.339   9.366
  279    HN2  NH2  41           H2       CYS  40  -1.344   7.814   9.296
  Start of MODEL    2
    1    H1   GLU   1           HT1      GLU   1  -5.388  18.188  -0.003
    2    H2   GLU   1           HT2      GLU   1  -4.588  17.380   1.269
    3    H3   GLU   1           HT3      GLU   1  -6.143  17.979   1.492
    4    HA   GLU   1           HA       GLU   1  -7.083  16.460   0.036
    5    HB2  GLU   1           HB2      GLU   1  -5.686  14.646  -0.940
    6    HB3  GLU   1           HB1      GLU   1  -5.286  16.224  -1.594
    7    HG2  GLU   1           HG2      GLU   1  -3.345  16.324  -0.087
    8    HG3  GLU   1           HG1      GLU   1  -3.746  14.712   0.505
    9    H    HIS   2           H        HIS   2  -7.133  13.953   0.566
   10    HA   HIS   2           HA       HIS   2  -6.610  13.758   3.439
   11    HB2  HIS   2           HB2      HIS   2  -8.622  12.286   1.713
   12    HB3  HIS   2           HB1      HIS   2  -8.331  11.926   3.403
   13    HD1  HIS   2           HD1      HIS   2  -9.588  13.372   5.116
   14    HD2  HIS   2           HD2      HIS   2  -9.863  14.793   1.224
   15    HE1  HIS   2           HE1      HIS   2 -11.355  15.154   5.151
   16    H    CYS   3           H        CYS   3  -4.746  12.664   3.801
   17    HA   CYS   3           HA       CYS   3  -3.812  10.792   1.907
   18    HB2  CYS   3           HB2      CYS   3  -2.051  10.257   3.588
   19    HB3  CYS   3           HB1      CYS   3  -2.175  11.979   3.271
   20    H    ALA   4           H        ALA   4  -4.959   9.053   1.546
   21    HA   ALA   4           HA       ALA   4  -5.632   7.296   3.745
   22    HB1  ALA   4           HB1      ALA   4  -7.605   8.735   3.522
   23    HB2  ALA   4           HB2      ALA   4  -7.957   7.080   3.027
   24    HB3  ALA   4           HB3      ALA   4  -7.707   8.329   1.807
   25    H    ASP   5           H        ASP   5  -5.767   5.217   3.123
   26    HA   ASP   5           HA       ASP   5  -4.415   4.371   0.783
   27    HB2  ASP   5           HB2      ASP   5  -6.281   2.660   2.419
   28    HB3  ASP   5           HB1      ASP   5  -4.876   2.150   1.494
   29    H    GLU   6           H        GLU   6  -5.304   2.967  -0.879
   30    HA   GLU   6           HA       GLU   6  -7.636   4.113  -2.066
   31    HB2  GLU   6           HB2      GLU   6  -5.480   3.078  -3.149
   32    HB3  GLU   6           HB1      GLU   6  -6.296   1.546  -2.936
   33    HG2  GLU   6           HG2      GLU   6  -7.434   3.837  -4.533
   34    HG3  GLU   6           HG1      GLU   6  -6.431   2.573  -5.219
   35    H    LYS   7           H        LYS   7  -9.675   3.130  -2.251
   36    HA   LYS   7           HA       LYS   7 -10.287   1.609   0.084
   37    HB2  LYS   7           HB2      LYS   7 -12.603   2.129  -0.492
   38    HB3  LYS   7           HB1      LYS   7 -11.573   3.551  -0.365
   39    HG2  LYS   7           HG2      LYS   7 -11.343   3.436  -2.881
   40    HG3  LYS   7           HG1      LYS   7 -12.643   2.251  -2.847
   41    HD2  LYS   7           HD2      LYS   7 -12.748   5.028  -1.757
   42    HD3  LYS   7           HD1      LYS   7 -13.472   4.505  -3.286
   43    HE2  LYS   7           HE2      LYS   7 -14.873   2.925  -2.006
   44    HE3  LYS   7           HE1      LYS   7 -14.157   3.558  -0.523
   45    HZ1  LYS   7           HZ1      LYS   7 -15.044   5.725  -1.050
   46    HZ2  LYS   7           HZ2      LYS   7 -16.300   4.603  -0.983
   47    HZ3  LYS   7           HZ3      LYS   7 -15.735   5.143  -2.470
   48    H    ASN   8           H        ASN   8 -10.095   1.045  -3.243
   49    HA   ASN   8           HA       ASN   8 -11.638  -1.441  -3.070
   50    HB2  ASN   8           HB2      ASN   8 -10.199  -0.228  -5.443
   51    HB3  ASN   8           HB1      ASN   8 -11.212  -1.666  -5.496
   52   HD21  ASN   8          HD21      ASN   8 -11.136   1.786  -5.206
   53   HD22  ASN   8          HD22      ASN   8 -12.831   2.044  -5.437
   54    H    PHE   9           H        PHE   9  -8.440  -0.298  -3.338
   55    HA   PHE   9           HA       PHE   9  -7.143  -2.838  -3.659
   56    HB2  PHE   9           HB2      PHE   9  -6.273  -0.484  -4.235
   57    HB3  PHE   9           HB1      PHE   9  -6.012  -0.329  -2.498
   58    HD1  PHE   9           HD1      PHE   9  -5.338  -2.726  -5.212
   59    HD2  PHE   9           HD2      PHE   9  -3.954  -0.820  -1.701
   60    HE1  PHE   9           HE1      PHE   9  -3.225  -3.843  -5.474
   61    HE2  PHE   9           HE2      PHE   9  -1.788  -1.927  -1.943
   62    HZ   PHE   9           HZ       PHE   9  -1.387  -3.431  -3.825
   63    H    ASP  10           H        ASP  10  -7.088  -4.282  -2.060
   64    HA   ASP  10           HA       ASP  10  -7.621  -3.385   0.636
   65    HB2  ASP  10           HB2      ASP  10  -8.729  -5.456  -0.256
   66    HB3  ASP  10           HB1      ASP  10  -7.146  -6.227  -0.292
   67    H    CYS  11           H        CYS  11  -5.898  -2.382   1.345
   68    HA   CYS  11           HA       CYS  11  -3.237  -3.212   0.848
   69    HB2  CYS  11           HB2      CYS  11  -4.350  -1.227   2.813
   70    HB3  CYS  11           HB1      CYS  11  -2.631  -1.501   2.554
   71    H    ARG  12           H        ARG  12  -5.559  -4.142   3.147
   72    HA   ARG  12           HA       ARG  12  -3.767  -4.948   5.209
   73    HB2  ARG  12           HB2      ARG  12  -6.486  -6.040   4.502
   74    HB3  ARG  12           HB1      ARG  12  -5.640  -6.327   6.017
   75    HG2  ARG  12           HG2      ARG  12  -6.692  -3.697   5.002
   76    HG3  ARG  12           HG1      ARG  12  -7.358  -4.681   6.306
   77    HD2  ARG  12           HD2      ARG  12  -5.321  -4.357   7.593
   78    HD3  ARG  12           HD1      ARG  12  -4.625  -3.403   6.283
   79    HE   ARG  12           HE       ARG  12  -7.123  -2.403   7.238
   80   HH11  ARG  12          HH11      ARG  12  -3.637  -2.354   7.808
   81   HH12  ARG  12          HH12      ARG  12  -3.643  -0.868   8.641
   82   HH21  ARG  12          HH21      ARG  12  -7.128  -0.356   8.433
   83   HH22  ARG  12          HH22      ARG  12  -5.663   0.289   8.980
   84    H    ARG  13           H        ARG  13  -5.263  -6.572   2.484
   85    HA   ARG  13           HA       ARG  13  -3.967  -9.036   2.779
   86    HB2  ARG  13           HB2      ARG  13  -5.938  -8.631   1.289
   87    HB3  ARG  13           HB1      ARG  13  -4.896  -7.733   0.199
   88    HG2  ARG  13           HG2      ARG  13  -3.614  -9.719  -0.287
   89    HG3  ARG  13           HG1      ARG  13  -4.521 -10.633   0.915
   90    HD2  ARG  13           HD2      ARG  13  -5.385 -11.205  -1.245
   91    HD3  ARG  13           HD1      ARG  13  -6.587 -10.217  -0.429
   92    HE   ARG  13           HE       ARG  13  -4.931  -8.596  -2.044
   93   HH11  ARG  13          HH11      ARG  13  -7.619 -10.918  -2.301
   94   HH12  ARG  13          HH12      ARG  13  -8.118 -10.375  -3.835
   95   HH21  ARG  13          HH21      ARG  13  -5.610  -7.911  -4.210
   96   HH22  ARG  13          HH22      ARG  13  -6.953  -8.633  -4.940
   97    H    SER  14           H        SER  14  -3.091  -6.174   0.818
   98    HA   SER  14           HA       SER  14  -0.780  -7.157  -0.352
   99    HB2  SER  14           HB2      SER  14  -1.278  -4.311   0.517
  100    HB3  SER  14           HB1      SER  14  -0.270  -4.860  -0.827
  101    HG   SER  14           HG       SER  14  -1.983  -4.935  -2.014
  102    H    LEU  15           H        LEU  15  -1.190  -5.564   2.787
  103    HA   LEU  15           HA       LEU  15   1.519  -5.305   3.478
  104    HB2  LEU  15           HB2      LEU  15  -0.361  -4.128   4.579
  105    HB3  LEU  15           HB1      LEU  15  -0.875  -5.645   5.281
  106    HG   LEU  15           HG       LEU  15   1.283  -5.746   6.523
  107   HD11  LEU  15          HD11      LEU  15   1.634  -2.959   5.438
  108   HD12  LEU  15          HD12      LEU  15   2.627  -4.378   5.082
  109   HD13  LEU  15          HD13      LEU  15   2.611  -3.700   6.707
  110   HD21  LEU  15          HD21      LEU  15  -0.396  -3.290   6.978
  111   HD22  LEU  15          HD22      LEU  15   0.676  -4.044   8.162
  112   HD23  LEU  15          HD23      LEU  15  -0.740  -4.916   7.568
  113    H    ARG  16           H        ARG  16  -0.828  -7.853   4.030
  114    HA   ARG  16           HA       ARG  16   1.009  -9.465   5.526
  115    HB2  ARG  16           HB2      ARG  16  -1.716 -10.013   4.387
  116    HB3  ARG  16           HB1      ARG  16  -0.798 -11.201   5.303
  117    HG2  ARG  16           HG2      ARG  16  -0.810  -9.794   7.244
  118    HG3  ARG  16           HG1      ARG  16  -1.586  -8.496   6.333
  119    HD2  ARG  16           HD2      ARG  16  -2.787 -11.219   6.765
  120    HD3  ARG  16           HD1      ARG  16  -3.139  -9.812   7.766
  121    HE   ARG  16           HE       ARG  16  -3.811  -8.750   5.593
  122   HH11  ARG  16          HH11      ARG  16  -4.128 -12.252   6.069
  123   HH12  ARG  16          HH12      ARG  16  -5.602 -12.390   5.234
  124   HH21  ARG  16          HH21      ARG  16  -5.902  -8.967   4.390
  125   HH22  ARG  16          HH22      ARG  16  -6.601 -10.505   4.278
  126    H    ASN  17           H        ASN  17   0.078  -9.167   2.239
  127    HA   ASN  17           HA       ASN  17   1.163 -11.619   1.260
  128    HB2  ASN  17           HB2      ASN  17   0.399  -9.044  -0.073
  129    HB3  ASN  17           HB1      ASN  17   1.294 -10.254  -0.972
  130   HD21  ASN  17          HD21      ASN  17  -1.058 -11.214   1.448
  131   HD22  ASN  17          HD22      ASN  17  -2.233 -11.779   0.335
  132    H    GLY  18           H        GLY  18   2.538  -8.598   2.060
  133    HA2  GLY  18           HA2      GLY  18   4.882  -8.505   2.616
  134    HA3  GLY  18           HA1      GLY  18   5.166  -9.728   1.392
  135    H    ASP  19           H        ASP  19   2.993  -7.495   0.221
  136    HA   ASP  19           HA       ASP  19   4.943  -6.531  -1.637
  137    HB2  ASP  19           HB2      ASP  19   2.000  -5.974  -1.350
  138    HB3  ASP  19           HB1      ASP  19   2.992  -5.060  -2.478
  139    H    CYS  20           H        CYS  20   3.595  -5.336   1.260
  140    HA   CYS  20           HA       CYS  20   4.449  -2.641   0.759
  141    HB2  CYS  20           HB2      CYS  20   2.446  -3.022   2.099
  142    HB3  CYS  20           HB1      CYS  20   3.362  -3.979   3.245
  143    H    ASP  21           H        ASP  21   5.926  -5.474   1.673
  144    HA   ASP  21           HA       ASP  21   8.102  -4.121   3.103
  145    HB2  ASP  21           HB2      ASP  21   7.182  -6.170   4.137
  146    HB3  ASP  21           HB1      ASP  21   7.540  -7.072   2.674
  147    H    ASN  22           H        ASN  22   7.154  -4.976   0.078
  148    HA   ASN  22           HA       ASN  22   9.773  -5.721  -0.927
  149    HB2  ASN  22           HB2      ASN  22   7.658  -6.811  -1.776
  150    HB3  ASN  22           HB1      ASN  22   7.211  -5.263  -2.473
  151   HD21  ASN  22          HD21      ASN  22   7.656  -7.759  -3.815
  152   HD22  ASN  22          HD22      ASN  22   8.942  -7.481  -4.940
  153    H    ASP  23           H        ASP  23  11.143  -4.276  -1.599
  154    HA   ASP  23           HA       ASP  23  10.766  -1.509  -1.518
  155    HB2  ASP  23           HB2      ASP  23  12.914  -3.172  -2.820
  156    HB3  ASP  23           HB1      ASP  23  12.938  -1.414  -2.850
  157    H    ASP  24           H        ASP  24  10.474  -3.785  -4.099
  158    HA   ASP  24           HA       ASP  24  10.395  -1.973  -6.269
  159    HB2  ASP  24           HB2      ASP  24  10.917  -4.229  -6.740
  160    HB3  ASP  24           HB1      ASP  24   9.502  -4.816  -5.883
  161    H    LYS  25           H        LYS  25   7.978  -3.145  -4.057
  162    HA   LYS  25           HA       LYS  25   5.853  -2.022  -5.683
  163    HB2  LYS  25           HB2      LYS  25   5.689  -3.618  -3.117
  164    HB3  LYS  25           HB1      LYS  25   4.334  -3.063  -4.101
  165    HG2  LYS  25           HG2      LYS  25   6.437  -4.983  -4.950
  166    HG3  LYS  25           HG1      LYS  25   4.798  -5.379  -4.425
  167    HD2  LYS  25           HD2      LYS  25   3.970  -3.886  -6.239
  168    HD3  LYS  25           HD1      LYS  25   5.628  -3.787  -6.826
  169    HE2  LYS  25           HE2      LYS  25   4.617  -5.502  -8.063
  170    HE3  LYS  25           HE1      LYS  25   5.694  -6.209  -6.838
  171    HZ1  LYS  25           HZ1      LYS  25   3.578  -7.434  -6.967
  172    HZ2  LYS  25           HZ2      LYS  25   2.733  -6.046  -6.600
  173    HZ3  LYS  25           HZ3      LYS  25   3.745  -6.722  -5.453
  174    H    LEU  26           H        LEU  26   7.938  -0.816  -3.431
  175    HA   LEU  26           HA       LEU  26   6.247   0.454  -1.608
  176    HB2  LEU  26           HB2      LEU  26   8.993   1.264  -2.516
  177    HB3  LEU  26           HB1      LEU  26   8.129   2.057  -1.214
  178    HG   LEU  26           HG       LEU  26   8.972  -0.829  -1.263
  179   HD11  LEU  26          HD11      LEU  26  10.850   0.709  -1.013
  180   HD12  LEU  26          HD12      LEU  26  10.544  -0.161   0.491
  181   HD13  LEU  26          HD13      LEU  26  10.023   1.515   0.320
  182   HD21  LEU  26          HD21      LEU  26   6.934  -0.563   0.010
  183   HD22  LEU  26          HD22      LEU  26   7.628   0.800   0.883
  184   HD23  LEU  26          HD23      LEU  26   8.289  -0.819   1.108
  185    H    LEU  27           H        LEU  27   7.312   1.594  -4.797
  186    HA   LEU  27           HA       LEU  27   6.369   4.163  -4.748
  187    HB2  LEU  27           HB2      LEU  27   7.617   3.290  -6.577
  188    HB3  LEU  27           HB1      LEU  27   6.409   2.042  -6.858
  189    HG   LEU  27           HG       LEU  27   4.830   3.837  -7.282
  190   HD11  LEU  27          HD11      LEU  27   7.325   5.522  -7.551
  191   HD12  LEU  27          HD12      LEU  27   6.011   5.753  -6.399
  192   HD13  LEU  27          HD13      LEU  27   5.729   6.011  -8.119
  193   HD21  LEU  27          HD21      LEU  27   7.098   3.432  -9.198
  194   HD22  LEU  27          HD22      LEU  27   5.498   4.068  -9.632
  195   HD23  LEU  27          HD23      LEU  27   5.659   2.431  -8.986
  196    H    GLU  28           H        GLU  28   4.767   1.151  -5.586
  197    HA   GLU  28           HA       GLU  28   2.208   2.095  -6.236
  198    HB2  GLU  28           HB2      GLU  28   2.959  -0.576  -5.037
  199    HB3  GLU  28           HB1      GLU  28   1.529  -0.219  -5.991
  200    HG2  GLU  28           HG2      GLU  28   4.344  -0.049  -7.040
  201    HG3  GLU  28           HG1      GLU  28   3.309  -1.464  -7.198
  202    H    MET  29           H        MET  29   3.780   1.191  -3.276
  203    HA   MET  29           HA       MET  29   1.405   0.976  -1.664
  204    HB2  MET  29           HB2      MET  29   4.290   1.261  -0.836
  205    HB3  MET  29           HB1      MET  29   2.960   0.923   0.255
  206    HG2  MET  29           HG2      MET  29   3.918  -0.875  -1.967
  207    HG3  MET  29           HG1      MET  29   4.375  -1.016  -0.281
  208    HE1  MET  29           HE1      MET  29   1.893  -1.974  -3.047
  209    HE2  MET  29           HE2      MET  29   0.881  -0.686  -2.388
  210    HE3  MET  29          3HE       MET  29   0.403  -2.368  -2.207
  211    H    GLY  30           H        GLY  30   3.521   3.546  -2.560
  212    HA2  GLY  30           HA2      GLY  30   2.852   5.230  -0.385
  213    HA3  GLY  30           HA1      GLY  30   3.572   5.786  -1.875
  214    H    TYR  31           H        TYR  31   1.370   4.731  -3.516
  215    HA   TYR  31           HA       TYR  31  -0.529   6.760  -2.715
  216    HB2  TYR  31           HB2      TYR  31  -1.342   6.863  -5.013
  217    HB3  TYR  31           HB1      TYR  31   0.358   7.303  -4.769
  218    HD1  TYR  31           HD1      TYR  31  -1.979   5.164  -6.450
  219    HD2  TYR  31           HD2      TYR  31   2.134   5.758  -5.607
  220    HE1  TYR  31           HE1      TYR  31  -1.391   3.724  -8.311
  221    HE2  TYR  31           HE2      TYR  31   2.739   4.332  -7.433
  222    HH   TYR  31           HH       TYR  31   1.748   2.500  -8.769
  223    H    TYR  32           H        TYR  32  -0.353   3.494  -3.409
  224    HA   TYR  32           HA       TYR  32  -3.211   3.209  -3.214
  225    HB2  TYR  32           HB2      TYR  32  -1.074   1.090  -3.456
  226    HB3  TYR  32           HB1      TYR  32  -2.739   0.663  -3.139
  227    HD1  TYR  32           HD1      TYR  32  -4.276   2.422  -4.819
  228    HD2  TYR  32           HD2      TYR  32  -0.572   0.501  -5.644
  229    HE1  TYR  32           HE1      TYR  32  -4.793   2.482  -7.206
  230    HE2  TYR  32           HE2      TYR  32  -1.081   0.564  -8.054
  231    HH   TYR  32           HH       TYR  32  -3.492   2.495  -9.330
  232    H    CYS  33           H        CYS  33  -0.520   2.831  -0.960
  233    HA   CYS  33           HA       CYS  33  -2.500   2.277   1.143
  234    HB2  CYS  33           HB2      CYS  33   0.156   0.899   0.789
  235    HB3  CYS  33           HB1      CYS  33  -0.979   0.634   2.104
  236    HA   PRO  34           HA       PRO  34   0.904   5.672   2.072
  237    HB2  PRO  34           HB2      PRO  34  -0.874   7.645   2.727
  238    HB3  PRO  34           HB1      PRO  34  -0.099   7.452   1.146
  239    HG2  PRO  34           HG2      PRO  34  -2.789   6.478   2.055
  240    HG3  PRO  34           HG1      PRO  34  -2.387   7.344   0.563
  241    HD2  PRO  34           HD2      PRO  34  -2.666   4.725   0.448
  242    HD3  PRO  34           HD1      PRO  34  -1.272   5.477  -0.337
  243    H    VAL  35           H        VAL  35  -2.135   4.773   3.607
  244    HA   VAL  35           HA       VAL  35  -1.148   5.756   6.140
  245    HB   VAL  35           HB       VAL  35  -3.769   4.370   5.559
  246   HG11  VAL  35          HG11      VAL  35  -2.862   5.933   7.972
  247   HG12  VAL  35          HG12      VAL  35  -3.108   4.189   7.902
  248   HG13  VAL  35          3HG1      VAL  35  -4.485   5.283   7.723
  249   HG21  VAL  35          HG21      VAL  35  -3.535   6.439   4.349
  250   HG22  VAL  35          HG22      VAL  35  -3.074   7.278   5.821
  251   HG23  VAL  35          HG23      VAL  35  -4.719   6.638   5.650
  252    H    THR  36           H        THR  36  -2.057   2.691   4.686
  253    HA   THR  36           HA       THR  36  -1.604   1.064   6.916
  254    HB   THR  36           HB       THR  36  -1.287   0.269   4.020
  255    HG1  THR  36           HG1      THR  36  -3.227   1.278   4.196
  256   HG21  THR  36          HG21      THR  36  -2.182  -1.295   6.460
  257   HG22  THR  36          HG22      THR  36  -0.623  -1.461   5.654
  258   HG23  THR  36          HG23      THR  36  -2.103  -1.922   4.813
  259    H    CYS  37           H        CYS  37   0.615   2.050   4.328
  260    HA   CYS  37           HA       CYS  37   2.757   0.552   5.560
  261    HB2  CYS  37           HB2      CYS  37   2.546   2.096   3.015
  262    HB3  CYS  37           HB1      CYS  37   4.052   1.319   3.531
  263    H    GLY  38           H        GLY  38   1.510   3.311   6.451
  264    HA2  GLY  38           HA2      GLY  38   2.283   4.870   7.933
  265    HA3  GLY  38           HA1      GLY  38   3.810   4.020   7.930
  266    H    PHE  39           H        PHE  39   2.147   5.800   5.331
  267    HA   PHE  39           HA       PHE  39   4.528   7.495   5.069
  268    HB2  PHE  39           HB2      PHE  39   2.043   7.274   3.328
  269    HB3  PHE  39           HB1      PHE  39   3.372   8.375   3.016
  270    HD1  PHE  39           HD1      PHE  39   5.404   7.604   2.028
  271    HD2  PHE  39           HD2      PHE  39   2.311   4.884   3.041
  272    HE1  PHE  39           HE1      PHE  39   6.524   5.873   0.697
  273    HE2  PHE  39           HE2      PHE  39   3.445   3.121   1.680
  274    HZ   PHE  39           HZ       PHE  39   5.540   3.628   0.528
  275    HA   CYS  40           HA       CYS  40   1.356  10.020   7.160
  276    HB2  CYS  40           HB2      CYS  40   0.737  10.629   4.791
  277    HB3  CYS  40           HB1      CYS  40  -0.695   9.624   4.985
  278    HN1  NH2  41           H1       CYS  40   0.923   8.760   8.961
  279    HN2  NH2  41           H2       CYS  40  -0.563   7.921   9.213
  Start of MODEL    3
    1    H1   GLU   1           HT1      GLU   1  -2.482  16.869  -0.718
    2    H2   GLU   1           HT2      GLU   1  -2.772  16.424   0.902
    3    H3   GLU   1           HT3      GLU   1  -4.057  16.787  -0.103
    4    HA   GLU   1           HA       GLU   1  -3.679  14.888  -1.430
    5    HB2  GLU   1           HB2      GLU   1  -1.178  14.823  -1.091
    6    HB3  GLU   1           HB1      GLU   1  -1.459  14.274   0.548
    7    HG2  GLU   1           HG2      GLU   1  -0.856  12.455  -1.008
    8    HG3  GLU   1           HG1      GLU   1  -2.416  12.228  -0.213
    9    H    HIS   2           H        HIS   2  -4.746  12.974  -0.829
   10    HA   HIS   2           HA       HIS   2  -5.969  13.189   1.821
   11    HB2  HIS   2           HB2      HIS   2  -6.766  11.487  -0.553
   12    HB3  HIS   2           HB1      HIS   2  -7.611  11.560   0.986
   13    HD1  HIS   2           HD1      HIS   2  -7.856  12.870  -2.302
   14    HD2  HIS   2           HD2      HIS   2  -8.409  14.426   1.503
   15    HE1  HIS   2           HE1      HIS   2  -9.319  14.891  -2.585
   16    H    CYS   3           H        CYS   3  -4.890  12.134   3.297
   17    HA   CYS   3           HA       CYS   3  -3.392   9.779   2.607
   18    HB2  CYS   3           HB2      CYS   3  -3.667  11.167   5.268
   19    HB3  CYS   3           HB1      CYS   3  -2.526   9.885   4.860
   20    H    ALA   4           H        ALA   4  -5.049   8.407   2.087
   21    HA   ALA   4           HA       ALA   4  -6.118   6.957   4.350
   22    HB1  ALA   4           HB1      ALA   4  -8.408   6.932   3.479
   23    HB2  ALA   4           HB2      ALA   4  -7.926   8.009   2.170
   24    HB3  ALA   4           HB3      ALA   4  -7.904   8.588   3.837
   25    H    ASP   5           H        ASP   5  -6.048   4.848   3.929
   26    HA   ASP   5           HA       ASP   5  -4.817   3.825   1.606
   27    HB2  ASP   5           HB2      ASP   5  -6.609   2.290   3.498
   28    HB3  ASP   5           HB1      ASP   5  -5.430   1.606   2.395
   29    H    GLU   6           H        GLU   6  -5.575   2.862  -0.225
   30    HA   GLU   6           HA       GLU   6  -7.990   3.782  -1.258
   31    HB2  GLU   6           HB2      GLU   6  -6.066   3.424  -2.665
   32    HB3  GLU   6           HB1      GLU   6  -6.005   1.730  -2.245
   33    HG2  GLU   6           HG2      GLU   6  -6.846   2.185  -4.499
   34    HG3  GLU   6           HG1      GLU   6  -7.980   1.289  -3.491
   35    H    LYS   7           H        LYS   7  -9.859   2.807  -1.710
   36    HA   LYS   7           HA       LYS   7 -10.682   0.693   0.066
   37    HB2  LYS   7           HB2      LYS   7 -12.941   1.335  -0.583
   38    HB3  LYS   7           HB1      LYS   7 -12.008   2.732  -0.078
   39    HG2  LYS   7           HG2      LYS   7 -11.608   3.258  -2.477
   40    HG3  LYS   7           HG1      LYS   7 -12.681   1.931  -2.902
   41    HD2  LYS   7           HD2      LYS   7 -14.058   3.816  -2.998
   42    HD3  LYS   7           HD1      LYS   7 -14.362   3.075  -1.416
   43    HE2  LYS   7           HE2      LYS   7 -14.182   5.526  -1.225
   44    HE3  LYS   7           HE1      LYS   7 -12.911   4.696  -0.333
   45    HZ1  LYS   7           HZ1      LYS   7 -12.119   6.632  -1.601
   46    HZ2  LYS   7           HZ2      LYS   7 -12.522   5.855  -3.050
   47    HZ3  LYS   7           HZ3      LYS   7 -11.353   5.215  -2.041
   48    H    ASN   8           H        ASN   8 -10.133   1.220  -3.234
   49    HA   ASN   8           HA       ASN   8 -11.438  -1.258  -4.096
   50    HB2  ASN   8           HB2      ASN   8  -9.836   0.753  -5.695
   51    HB3  ASN   8           HB1      ASN   8 -10.639  -0.650  -6.385
   52   HD21  ASN   8          HD21      ASN   8 -11.049   2.510  -5.018
   53   HD22  ASN   8          HD22      ASN   8 -12.698   2.703  -5.478
   54    H    PHE   9           H        PHE   9  -8.566  -0.463  -2.816
   55    HA   PHE   9           HA       PHE   9  -7.009  -2.656  -4.076
   56    HB2  PHE   9           HB2      PHE   9  -6.253  -0.190  -4.141
   57    HB3  PHE   9           HB1      PHE   9  -6.046  -0.361  -2.403
   58    HD1  PHE   9           HD1      PHE   9  -4.056  -1.162  -1.566
   59    HD2  PHE   9           HD2      PHE   9  -5.112  -1.866  -5.602
   60    HE1  PHE   9           HE1      PHE   9  -1.828  -2.084  -1.979
   61    HE2  PHE   9           HE2      PHE   9  -2.950  -2.787  -6.045
   62    HZ   PHE   9           HZ       PHE   9  -1.236  -2.891  -4.216
   63    H    ASP  10           H        ASP  10  -6.213  -4.190  -2.502
   64    HA   ASP  10           HA       ASP  10  -7.355  -3.645   0.123
   65    HB2  ASP  10           HB2      ASP  10  -8.144  -5.776  -0.968
   66    HB3  ASP  10           HB1      ASP  10  -6.500  -6.394  -0.802
   67    H    CYS  11           H        CYS  11  -5.999  -2.579   1.177
   68    HA   CYS  11           HA       CYS  11  -3.206  -2.805   1.029
   69    HB2  CYS  11           HB2      CYS  11  -4.978  -1.495   3.078
   70    HB3  CYS  11           HB1      CYS  11  -3.236  -1.256   2.943
   71    H    ARG  12           H        ARG  12  -5.516  -4.586   2.765
   72    HA   ARG  12           HA       ARG  12  -3.843  -5.236   5.016
   73    HB2  ARG  12           HB2      ARG  12  -6.307  -6.756   4.135
   74    HB3  ARG  12           HB1      ARG  12  -5.687  -6.552   5.769
   75    HG2  ARG  12           HG2      ARG  12  -6.986  -4.409   4.074
   76    HG3  ARG  12           HG1      ARG  12  -7.705  -5.230   5.455
   77    HD2  ARG  12           HD2      ARG  12  -6.378  -4.102   6.977
   78    HD3  ARG  12           HD1      ARG  12  -5.124  -3.755   5.785
   79    HE   ARG  12           HE       ARG  12  -7.744  -2.467   5.505
   80   HH11  ARG  12          HH11      ARG  12  -4.355  -2.176   6.446
   81   HH12  ARG  12          HH12      ARG  12  -4.218  -0.534   6.071
   82   HH21  ARG  12          HH21      ARG  12  -7.592  -0.120   5.054
   83   HH22  ARG  12          HH22      ARG  12  -6.126   0.686   5.338
   84    H    ARG  13           H        ARG  13  -5.051  -6.868   2.119
   85    HA   ARG  13           HA       ARG  13  -3.550  -9.217   2.271
   86    HB2  ARG  13           HB2      ARG  13  -5.454  -8.849   0.748
   87    HB3  ARG  13           HB1      ARG  13  -4.507  -7.686  -0.153
   88    HG2  ARG  13           HG2      ARG  13  -3.010  -9.431  -0.897
   89    HG3  ARG  13           HG1      ARG  13  -3.858 -10.613   0.104
   90    HD2  ARG  13           HD2      ARG  13  -4.599 -10.780  -2.210
   91    HD3  ARG  13           HD1      ARG  13  -5.905 -10.229  -1.168
   92    HE   ARG  13           HE       ARG  13  -4.363  -8.199  -2.553
   93   HH11  ARG  13          HH11      ARG  13  -7.393 -10.028  -2.373
   94   HH12  ARG  13          HH12      ARG  13  -8.216  -9.077  -3.522
   95   HH21  ARG  13          HH21      ARG  13  -5.518  -6.885  -4.141
   96   HH22  ARG  13          HH22      ARG  13  -7.120  -7.251  -4.565
   97    H    SER  14           H        SER  14  -2.836  -6.074   0.861
   98    HA   SER  14           HA       SER  14  -0.343  -6.748  -0.264
   99    HB2  SER  14           HB2      SER  14  -1.328  -4.059   0.698
  100    HB3  SER  14           HB1      SER  14  -0.013  -4.331  -0.448
  101    HG   SER  14           HG       SER  14  -2.770  -4.546  -0.812
  102    H    LEU  15           H        LEU  15  -1.275  -5.862   2.985
  103    HA   LEU  15           HA       LEU  15   1.403  -5.429   3.904
  104    HB2  LEU  15           HB2      LEU  15  -0.781  -4.471   4.884
  105    HB3  LEU  15           HB1      LEU  15  -1.070  -6.054   5.550
  106    HG   LEU  15           HG       LEU  15  -0.233  -4.413   7.205
  107   HD11  LEU  15          HD11      LEU  15   1.504  -5.768   8.231
  108   HD12  LEU  15          HD12      LEU  15   1.659  -6.693   6.734
  109   HD13  LEU  15          HD13      LEU  15   0.154  -6.747   7.653
  110   HD21  LEU  15          HD21      LEU  15   1.205  -3.085   5.754
  111   HD22  LEU  15          HD22      LEU  15   2.303  -4.450   5.575
  112   HD23  LEU  15          HD23      LEU  15   2.100  -3.684   7.145
  113    H    ARG  16           H        ARG  16  -0.941  -8.034   3.860
  114    HA   ARG  16           HA       ARG  16   0.549  -9.933   5.332
  115    HB2  ARG  16           HB2      ARG  16  -1.703 -10.269   3.354
  116    HB3  ARG  16           HB1      ARG  16  -1.052 -11.583   4.324
  117    HG2  ARG  16           HG2      ARG  16  -1.767 -10.564   6.344
  118    HG3  ARG  16           HG1      ARG  16  -2.167  -9.061   5.516
  119    HD2  ARG  16           HD2      ARG  16  -4.182 -10.337   6.044
  120    HD3  ARG  16           HD1      ARG  16  -3.942 -10.192   4.313
  121    HE   ARG  16           HE       ARG  16  -3.106 -12.483   4.337
  122   HH11  ARG  16          HH11      ARG  16  -5.024 -11.498   7.161
  123   HH12  ARG  16          HH12      ARG  16  -5.669 -13.056   7.407
  124   HH21  ARG  16          HH21      ARG  16  -3.969 -14.563   4.710
  125   HH22  ARG  16          HH22      ARG  16  -5.048 -14.848   6.001
  126    H    ASN  17           H        ASN  17   0.193  -9.442   1.812
  127    HA   ASN  17           HA       ASN  17   1.906 -11.541   0.967
  128    HB2  ASN  17           HB2      ASN  17   1.439  -8.866  -0.365
  129    HB3  ASN  17           HB1      ASN  17   2.227 -10.243  -1.099
  130   HD21  ASN  17          HD21      ASN  17   0.042  -8.752  -1.947
  131   HD22  ASN  17          HD22      ASN  17  -1.307  -9.815  -2.171
  132    H    GLY  18           H        GLY  18   2.389  -8.240   1.892
  133    HA2  GLY  18           HA2      GLY  18   4.419  -7.588   2.978
  134    HA3  GLY  18           HA1      GLY  18   5.265  -8.744   1.951
  135    H    ASP  19           H        ASP  19   2.955  -7.225   0.127
  136    HA   ASP  19           HA       ASP  19   4.705  -5.875  -1.634
  137    HB2  ASP  19           HB2      ASP  19   1.783  -5.229  -1.136
  138    HB3  ASP  19           HB1      ASP  19   2.724  -4.694  -2.513
  139    H    CYS  20           H        CYS  20   2.884  -4.879   1.080
  140    HA   CYS  20           HA       CYS  20   3.136  -2.091   0.946
  141    HB2  CYS  20           HB2      CYS  20   1.498  -3.300   2.311
  142    HB3  CYS  20           HB1      CYS  20   2.797  -3.890   3.331
  143    H    ASP  21           H        ASP  21   5.429  -4.508   1.991
  144    HA   ASP  21           HA       ASP  21   7.148  -2.363   3.064
  145    HB2  ASP  21           HB2      ASP  21   6.534  -4.172   4.669
  146    HB3  ASP  21           HB1      ASP  21   7.308  -5.338   3.606
  147    H    ASN  22           H        ASN  22   6.637  -4.304   0.468
  148    HA   ASN  22           HA       ASN  22   9.319  -5.047  -0.222
  149    HB2  ASN  22           HB2      ASN  22   7.279  -6.321  -0.960
  150    HB3  ASN  22           HB1      ASN  22   6.834  -4.950  -1.960
  151   HD21  ASN  22          HD21      ASN  22   7.348  -7.665  -2.762
  152   HD22  ASN  22          HD22      ASN  22   8.665  -7.640  -3.868
  153    H    ASP  23           H        ASP  23  10.746  -3.708  -1.005
  154    HA   ASP  23           HA       ASP  23  10.413  -0.994  -1.460
  155    HB2  ASP  23           HB2      ASP  23  12.541  -2.850  -2.464
  156    HB3  ASP  23           HB1      ASP  23  12.588  -1.113  -2.708
  157    H    ASP  24           H        ASP  24  10.190  -3.637  -3.698
  158    HA   ASP  24           HA       ASP  24  10.326  -2.015  -6.035
  159    HB2  ASP  24           HB2      ASP  24   9.341  -4.839  -5.702
  160    HB3  ASP  24           HB1      ASP  24   9.647  -4.043  -7.240
  161    H    LYS  25           H        LYS  25   7.786  -2.875  -3.871
  162    HA   LYS  25           HA       LYS  25   5.853  -1.923  -5.831
  163    HB2  LYS  25           HB2      LYS  25   5.503  -3.594  -3.360
  164    HB3  LYS  25           HB1      LYS  25   4.149  -2.739  -4.078
  165    HG2  LYS  25           HG2      LYS  25   4.036  -4.930  -4.866
  166    HG3  LYS  25           HG1      LYS  25   4.687  -3.965  -6.191
  167    HD2  LYS  25           HD2      LYS  25   6.906  -4.780  -5.741
  168    HD3  LYS  25           HD1      LYS  25   6.333  -5.661  -4.320
  169    HE2  LYS  25           HE2      LYS  25   4.803  -6.922  -5.790
  170    HE3  LYS  25           HE1      LYS  25   5.532  -6.129  -7.184
  171    HZ1  LYS  25           HZ1      LYS  25   6.920  -7.907  -5.254
  172    HZ2  LYS  25           HZ2      LYS  25   7.668  -7.143  -6.559
  173    HZ3  LYS  25           HZ3      LYS  25   6.493  -8.312  -6.823
  174    H    LEU  26           H        LEU  26   7.697  -0.705  -3.399
  175    HA   LEU  26           HA       LEU  26   5.937   0.624  -1.747
  176    HB2  LEU  26           HB2      LEU  26   8.726   1.377  -2.510
  177    HB3  LEU  26           HB1      LEU  26   7.789   2.322  -1.371
  178    HG   LEU  26           HG       LEU  26   8.551  -0.576  -1.048
  179   HD11  LEU  26          HD11      LEU  26   9.984   0.241   0.755
  180   HD12  LEU  26          HD12      LEU  26   9.495   1.897   0.397
  181   HD13  LEU  26          HD13      LEU  26  10.432   0.985  -0.783
  182   HD21  LEU  26          HD21      LEU  26   7.649  -0.305   1.233
  183   HD22  LEU  26          HD22      LEU  26   6.417  -0.161  -0.012
  184   HD23  LEU  26          HD23      LEU  26   7.039   1.289   0.779
  185    H    LEU  27           H        LEU  27   7.011   1.772  -4.914
  186    HA   LEU  27           HA       LEU  27   6.079   4.355  -4.813
  187    HB2  LEU  27           HB2      LEU  27   7.342   3.539  -6.659
  188    HB3  LEU  27           HB1      LEU  27   6.148   2.288  -6.977
  189    HG   LEU  27           HG       LEU  27   4.557   4.045  -7.420
  190   HD11  LEU  27          HD11      LEU  27   5.426   6.278  -8.156
  191   HD12  LEU  27          HD12      LEU  27   7.004   5.816  -7.514
  192   HD13  LEU  27          HD13      LEU  27   5.619   5.968  -6.431
  193   HD21  LEU  27          HD21      LEU  27   5.347   4.430  -9.742
  194   HD22  LEU  27          HD22      LEU  27   5.463   2.764  -9.162
  195   HD23  LEU  27          HD23      LEU  27   6.915   3.767  -9.251
  196    H    GLU  28           H        GLU  28   4.423   1.385  -5.757
  197    HA   GLU  28           HA       GLU  28   1.922   2.588  -6.317
  198    HB2  GLU  28           HB2      GLU  28   2.594  -0.274  -5.628
  199    HB3  GLU  28           HB1      GLU  28   1.055   0.274  -6.271
  200    HG2  GLU  28           HG2      GLU  28   2.159   0.991  -8.316
  201    HG3  GLU  28           HG1      GLU  28   3.709   0.455  -7.670
  202    H    MET  29           H        MET  29   3.471   1.354  -3.519
  203    HA   MET  29           HA       MET  29   1.056   1.027  -2.004
  204    HB2  MET  29           HB2      MET  29   3.923   1.007  -1.082
  205    HB3  MET  29           HB1      MET  29   2.546   0.563  -0.093
  206    HG2  MET  29           HG2      MET  29   3.597  -0.850  -2.524
  207    HG3  MET  29           HG1      MET  29   3.595  -1.445  -0.873
  208    HE1  MET  29           HE1      MET  29   1.156  -1.767   0.458
  209    HE2  MET  29           HE2      MET  29  -0.394  -1.685  -0.391
  210    HE3  MET  29          3HE       MET  29   0.606  -0.237  -0.223
  211    H    GLY  30           H        GLY  30   3.337   3.477  -2.571
  212    HA2  GLY  30           HA2      GLY  30   2.901   5.062  -0.279
  213    HA3  GLY  30           HA1      GLY  30   3.566   5.651  -1.789
  214    H    TYR  31           H        TYR  31   1.320   4.948  -3.385
  215    HA   TYR  31           HA       TYR  31  -0.423   7.022  -2.393
  216    HB2  TYR  31           HB2      TYR  31  -1.375   7.212  -4.640
  217    HB3  TYR  31           HB1      TYR  31   0.360   7.524  -4.536
  218    HD1  TYR  31           HD1      TYR  31  -2.250   5.338  -5.806
  219    HD2  TYR  31           HD2      TYR  31   1.932   6.077  -5.698
  220    HE1  TYR  31           HE1      TYR  31  -1.947   3.852  -7.682
  221    HE2  TYR  31           HE2      TYR  31   2.261   4.594  -7.567
  222    HH   TYR  31           HH       TYR  31   1.123   2.720  -8.713
  223    H    TYR  32           H        TYR  32  -0.556   3.728  -3.331
  224    HA   TYR  32           HA       TYR  32  -3.374   3.545  -3.048
  225    HB2  TYR  32           HB2      TYR  32  -1.275   1.399  -3.178
  226    HB3  TYR  32           HB1      TYR  32  -2.914   0.988  -2.725
  227    HD1  TYR  32           HD1      TYR  32  -4.678   2.300  -4.366
  228    HD2  TYR  32           HD2      TYR  32  -0.784   0.951  -5.370
  229    HE1  TYR  32           HE1      TYR  32  -5.357   2.150  -6.702
  230    HE2  TYR  32           HE2      TYR  32  -1.441   0.802  -7.734
  231    HH   TYR  32           HH       TYR  32  -4.360   2.147  -8.881
  232    H    CYS  33           H        CYS  33  -0.780   2.741  -0.727
  233    HA   CYS  33           HA       CYS  33  -2.895   2.791   1.291
  234    HB2  CYS  33           HB2      CYS  33  -0.618   0.820   1.276
  235    HB3  CYS  33           HB1      CYS  33  -1.985   0.885   2.388
  236    HA   PRO  34           HA       PRO  34   0.701   5.620   2.208
  237    HB2  PRO  34           HB2      PRO  34  -0.806   7.689   3.096
  238    HB3  PRO  34           HB1      PRO  34  -0.334   7.452   1.407
  239    HG2  PRO  34           HG2      PRO  34  -2.904   6.721   2.764
  240    HG3  PRO  34           HG1      PRO  34  -2.677   7.526   1.206
  241    HD2  PRO  34           HD2      PRO  34  -3.213   4.930   1.341
  242    HD3  PRO  34           HD1      PRO  34  -2.069   5.556   0.138
  243    H    VAL  35           H        VAL  35  -2.147   4.636   3.919
  244    HA   VAL  35           HA       VAL  35  -1.116   5.587   6.432
  245    HB   VAL  35           HB       VAL  35  -3.646   4.023   5.923
  246   HG11  VAL  35          HG11      VAL  35  -4.336   4.896   8.115
  247   HG12  VAL  35          HG12      VAL  35  -2.753   5.666   8.290
  248   HG13  VAL  35          3HG1      VAL  35  -2.875   3.909   8.239
  249   HG21  VAL  35          HG21      VAL  35  -4.755   6.218   6.021
  250   HG22  VAL  35          HG22      VAL  35  -3.574   6.098   4.698
  251   HG23  VAL  35          HG23      VAL  35  -3.160   6.979   6.155
  252    H    THR  36           H        THR  36  -2.008   2.515   4.982
  253    HA   THR  36           HA       THR  36  -1.387   0.778   7.052
  254    HB   THR  36           HB       THR  36  -1.032   0.226   4.107
  255    HG1  THR  36           HG1      THR  36  -3.092   1.108   4.592
  256   HG21  THR  36          HG21      THR  36  -1.629  -2.082   4.731
  257   HG22  THR  36          HG22      THR  36  -1.694  -1.598   6.428
  258   HG23  THR  36          HG23      THR  36  -0.164  -1.545   5.555
  259    H    CYS  37           H        CYS  37   0.779   1.699   4.365
  260    HA   CYS  37           HA       CYS  37   2.923   0.205   5.486
  261    HB2  CYS  37           HB2      CYS  37   2.930   2.214   3.270
  262    HB3  CYS  37           HB1      CYS  37   4.222   1.062   3.609
  263    H    GLY  38           H        GLY  38   1.741   3.267   6.210
  264    HA2  GLY  38           HA2      GLY  38   2.515   4.554   7.986
  265    HA3  GLY  38           HA1      GLY  38   4.045   3.703   7.905
  266    H    PHE  39           H        PHE  39   2.301   5.550   5.422
  267    HA   PHE  39           HA       PHE  39   4.712   7.176   5.042
  268    HB2  PHE  39           HB2      PHE  39   2.183   6.983   3.379
  269    HB3  PHE  39           HB1      PHE  39   3.571   7.987   3.006
  270    HD1  PHE  39           HD1      PHE  39   5.671   6.944   2.316
  271    HD2  PHE  39           HD2      PHE  39   2.123   4.702   2.860
  272    HE1  PHE  39           HE1      PHE  39   6.644   5.129   0.961
  273    HE2  PHE  39           HE2      PHE  39   3.084   2.868   1.478
  274    HZ   PHE  39           HZ       PHE  39   5.340   3.088   0.548
  275    HA   CYS  40           HA       CYS  40   1.400   9.923   6.779
  276    HB2  CYS  40           HB2      CYS  40   1.510  10.701   4.403
  277    HB3  CYS  40           HB1      CYS  40   0.001   9.848   4.100
  278    HN1  NH2  41           H1       CYS  40   0.203   9.074   8.382
  279    HN2  NH2  41           H2       CYS  40  -1.332   8.312   8.189
  Start of MODEL    4
    1    H1   GLU   1           HT1      GLU   1  -4.059  17.511   0.889
    2    H2   GLU   1           HT2      GLU   1  -2.667  17.795  -0.032
    3    H3   GLU   1           HT3      GLU   1  -2.547  17.341   1.596
    4    HA   GLU   1           HA       GLU   1  -3.622  15.658  -0.557
    5    HB2  GLU   1           HB2      GLU   1  -1.162  15.958  -0.629
    6    HB3  GLU   1           HB1      GLU   1  -1.068  15.474   1.060
    7    HG2  GLU   1           HG2      GLU   1  -0.400  13.635  -0.280
    8    HG3  GLU   1           HG1      GLU   1  -1.983  13.260   0.396
    9    H    HIS   2           H        HIS   2  -5.338  14.615   0.442
   10    HA   HIS   2           HA       HIS   2  -4.993  13.924   3.222
   11    HB2  HIS   2           HB2      HIS   2  -7.330  13.087   3.207
   12    HB3  HIS   2           HB1      HIS   2  -7.240  14.737   2.631
   13    HD1  HIS   2           HD1      HIS   2  -8.280  11.289   1.600
   14    HD2  HIS   2           HD2      HIS   2  -7.920  15.073  -0.079
   15    HE1  HIS   2           HE1      HIS   2  -9.559  11.223  -0.560
   16    H    CYS   3           H        CYS   3  -4.113  12.164   3.853
   17    HA   CYS   3           HA       CYS   3  -3.410  10.197   1.886
   18    HB2  CYS   3           HB2      CYS   3  -2.095   9.195   3.757
   19    HB3  CYS   3           HB1      CYS   3  -1.678  10.871   3.424
   20    H    ALA   4           H        ALA   4  -4.799   8.630   1.390
   21    HA   ALA   4           HA       ALA   4  -6.139   7.224   3.553
   22    HB1  ALA   4           HB1      ALA   4  -7.757   8.903   2.793
   23    HB2  ALA   4           HB2      ALA   4  -8.283   7.273   2.372
   24    HB3  ALA   4           HB3      ALA   4  -7.581   8.320   1.138
   25    H    ASP   5           H        ASP   5  -6.142   5.089   3.209
   26    HA   ASP   5           HA       ASP   5  -4.817   3.980   0.948
   27    HB2  ASP   5           HB2      ASP   5  -6.682   2.513   2.849
   28    HB3  ASP   5           HB1      ASP   5  -5.536   1.772   1.753
   29    H    GLU   6           H        GLU   6  -5.639   2.771  -0.742
   30    HA   GLU   6           HA       GLU   6  -7.887   3.877  -1.998
   31    HB2  GLU   6           HB2      GLU   6  -5.944   3.081  -3.216
   32    HB3  GLU   6           HB1      GLU   6  -6.203   1.449  -2.643
   33    HG2  GLU   6           HG2      GLU   6  -6.887   1.749  -4.945
   34    HG3  GLU   6           HG1      GLU   6  -8.250   1.317  -3.907
   35    H    LYS   7           H        LYS   7  -9.864   2.930  -2.516
   36    HA   LYS   7           HA       LYS   7 -10.854   1.241  -0.370
   37    HB2  LYS   7           HB2      LYS   7 -13.081   1.856  -1.071
   38    HB3  LYS   7           HB1      LYS   7 -12.081   3.288  -0.912
   39    HG2  LYS   7           HG2      LYS   7 -11.831   3.401  -3.331
   40    HG3  LYS   7           HG1      LYS   7 -12.786   1.928  -3.506
   41    HD2  LYS   7           HD2      LYS   7 -14.332   3.666  -3.897
   42    HD3  LYS   7           HD1      LYS   7 -14.587   3.142  -2.232
   43    HE2  LYS   7           HE2      LYS   7 -14.640   5.569  -2.351
   44    HE3  LYS   7           HE1      LYS   7 -13.246   5.034  -1.416
   45    HZ1  LYS   7           HZ1      LYS   7 -13.198   5.914  -4.256
   46    HZ2  LYS   7           HZ2      LYS   7 -11.854   5.434  -3.384
   47    HZ3  LYS   7           HZ3      LYS   7 -12.677   6.830  -2.957
   48    H    ASN   8           H        ASN   8 -10.143   1.001  -3.657
   49    HA   ASN   8           HA       ASN   8 -11.543  -1.580  -3.846
   50    HB2  ASN   8           HB2      ASN   8 -11.148  -1.565  -6.277
   51    HB3  ASN   8           HB1      ASN   8 -11.966  -0.103  -5.764
   52   HD21  ASN   8          HD21      ASN   8 -10.983   1.845  -6.145
   53   HD22  ASN   8          HD22      ASN   8  -9.489   2.012  -6.989
   54    H    PHE   9           H        PHE   9  -8.792  -0.712  -2.691
   55    HA   PHE   9           HA       PHE   9  -7.212  -3.010  -3.731
   56    HB2  PHE   9           HB2      PHE   9  -6.433  -0.595  -4.211
   57    HB3  PHE   9           HB1      PHE   9  -6.170  -0.517  -2.468
   58    HD1  PHE   9           HD1      PHE   9  -5.331  -2.425  -5.469
   59    HD2  PHE   9           HD2      PHE   9  -4.232  -1.334  -1.532
   60    HE1  PHE   9           HE1      PHE   9  -3.207  -3.484  -5.802
   61    HE2  PHE   9           HE2      PHE   9  -2.055  -2.396  -1.837
   62    HZ   PHE   9           HZ       PHE   9  -1.504  -3.469  -3.972
   63    H    ASP  10           H        ASP  10  -6.424  -4.363  -2.087
   64    HA   ASP  10           HA       ASP  10  -7.324  -3.503   0.542
   65    HB2  ASP  10           HB2      ASP  10  -8.236  -5.701  -0.302
   66    HB3  ASP  10           HB1      ASP  10  -6.592  -6.338  -0.165
   67    H    CYS  11           H        CYS  11  -5.883  -2.590   1.591
   68    HA   CYS  11           HA       CYS  11  -3.128  -3.004   1.084
   69    HB2  CYS  11           HB2      CYS  11  -4.537  -1.227   3.062
   70    HB3  CYS  11           HB1      CYS  11  -2.804  -1.244   2.745
   71    H    ARG  12           H        ARG  12  -5.360  -4.269   3.374
   72    HA   ARG  12           HA       ARG  12  -3.409  -4.975   5.332
   73    HB2  ARG  12           HB2      ARG  12  -6.043  -6.335   4.760
   74    HB3  ARG  12           HB1      ARG  12  -5.073  -6.558   6.205
   75    HG2  ARG  12           HG2      ARG  12  -6.653  -4.152   5.356
   76    HG3  ARG  12           HG1      ARG  12  -6.862  -5.161   6.775
   77    HD2  ARG  12           HD2      ARG  12  -4.589  -3.247   6.226
   78    HD3  ARG  12           HD1      ARG  12  -5.850  -3.071   7.439
   79    HE   ARG  12           HE       ARG  12  -4.393  -5.468   7.830
   80   HH11  ARG  12          HH11      ARG  12  -4.217  -1.978   8.372
   81   HH12  ARG  12          HH12      ARG  12  -3.060  -2.072   9.610
   82   HH21  ARG  12          HH21      ARG  12  -2.766  -5.614   9.463
   83   HH22  ARG  12          HH22      ARG  12  -2.183  -4.229  10.245
   84    H    ARG  13           H        ARG  13  -4.930  -6.644   2.685
   85    HA   ARG  13           HA       ARG  13  -3.599  -9.094   2.717
   86    HB2  ARG  13           HB2      ARG  13  -5.488  -8.460   1.254
   87    HB3  ARG  13           HB1      ARG  13  -4.390  -7.461   0.324
   88    HG2  ARG  13           HG2      ARG  13  -3.120  -9.431  -0.328
   89    HG3  ARG  13           HG1      ARG  13  -4.202 -10.447   0.631
   90    HD2  ARG  13           HD2      ARG  13  -4.958  -8.732  -1.716
   91    HD3  ARG  13           HD1      ARG  13  -4.887 -10.499  -1.674
   92    HE   ARG  13           HE       ARG  13  -6.562 -10.051   0.287
   93   HH11  ARG  13          HH11      ARG  13  -6.513  -8.530  -2.920
   94   HH12  ARG  13          HH12      ARG  13  -8.202  -8.344  -3.004
   95   HH21  ARG  13          HH21      ARG  13  -8.885  -9.737   0.167
   96   HH22  ARG  13          HH22      ARG  13  -9.593  -9.044  -1.210
   97    H    SER  14           H        SER  14  -2.745  -6.128   1.031
   98    HA   SER  14           HA       SER  14  -0.335  -6.968  -0.097
   99    HB2  SER  14           HB2      SER  14  -1.131  -4.180   0.769
  100    HB3  SER  14           HB1      SER  14   0.106  -4.581  -0.425
  101    HG   SER  14           HG       SER  14  -2.694  -4.754  -0.620
  102    H    LEU  15           H        LEU  15  -1.035  -5.674   3.095
  103    HA   LEU  15           HA       LEU  15   1.673  -5.404   3.881
  104    HB2  LEU  15           HB2      LEU  15  -0.244  -4.167   4.879
  105    HB3  LEU  15           HB1      LEU  15  -0.802  -5.663   5.581
  106    HG   LEU  15           HG       LEU  15   1.203  -5.775   6.993
  107   HD11  LEU  15          HD11      LEU  15   1.889  -3.114   5.753
  108   HD12  LEU  15          HD12      LEU  15   2.751  -4.629   5.495
  109   HD13  LEU  15          HD13      LEU  15   2.742  -3.882   7.095
  110   HD21  LEU  15          HD21      LEU  15  -0.792  -4.633   7.819
  111   HD22  LEU  15          HD22      LEU  15  -0.207  -3.119   7.120
  112   HD23  LEU  15          HD23      LEU  15   0.682  -3.883   8.437
  113    H    ARG  16           H        ARG  16  -0.759  -7.889   4.265
  114    HA   ARG  16           HA       ARG  16   0.743  -9.633   5.922
  115    HB2  ARG  16           HB2      ARG  16  -1.516 -10.258   4.032
  116    HB3  ARG  16           HB1      ARG  16  -0.869 -11.372   5.222
  117    HG2  ARG  16           HG2      ARG  16  -1.604  -9.948   7.016
  118    HG3  ARG  16           HG1      ARG  16  -2.146  -8.726   5.860
  119    HD2  ARG  16           HD2      ARG  16  -3.716 -10.356   4.906
  120    HD3  ARG  16           HD1      ARG  16  -3.204 -11.534   6.110
  121    HE   ARG  16           HE       ARG  16  -3.976  -9.462   7.616
  122   HH11  ARG  16          HH11      ARG  16  -5.578 -11.084   4.904
  123   HH12  ARG  16          HH12      ARG  16  -7.143 -10.885   5.509
  124   HH21  ARG  16          HH21      ARG  16  -6.161  -9.179   8.453
  125   HH22  ARG  16          HH22      ARG  16  -7.485  -9.767   7.572
  126    H    ASN  17           H        ASN  17   0.622  -9.249   2.449
  127    HA   ASN  17           HA       ASN  17   2.075 -11.731   2.042
  128    HB2  ASN  17           HB2      ASN  17   0.907  -9.764   0.119
  129    HB3  ASN  17           HB1      ASN  17   2.005 -11.033  -0.410
  130   HD21  ASN  17          HD21      ASN  17  -1.077 -10.302   0.900
  131   HD22  ASN  17          HD22      ASN  17  -1.800 -11.854   0.628
  132    H    GLY  18           H        GLY  18   2.806  -8.414   2.240
  133    HA2  GLY  18           HA2      GLY  18   5.169  -7.944   2.753
  134    HA3  GLY  18           HA1      GLY  18   5.574  -9.175   1.581
  135    H    ASP  19           H        ASP  19   3.041  -7.417   0.378
  136    HA   ASP  19           HA       ASP  19   4.673  -6.233  -1.671
  137    HB2  ASP  19           HB2      ASP  19   1.728  -5.934  -1.047
  138    HB3  ASP  19           HB1      ASP  19   2.505  -5.062  -2.357
  139    H    CYS  20           H        CYS  20   3.199  -5.214   1.226
  140    HA   CYS  20           HA       CYS  20   3.564  -2.399   0.832
  141    HB2  CYS  20           HB2      CYS  20   1.714  -3.301   2.157
  142    HB3  CYS  20           HB1      CYS  20   2.874  -4.064   3.230
  143    H    ASP  21           H        ASP  21   5.569  -4.959   1.697
  144    HA   ASP  21           HA       ASP  21   7.433  -3.254   3.228
  145    HB2  ASP  21           HB2      ASP  21   6.753  -5.350   4.286
  146    HB3  ASP  21           HB1      ASP  21   7.287  -6.251   2.879
  147    H    ASN  22           H        ASN  22   6.831  -4.410   0.194
  148    HA   ASN  22           HA       ASN  22   9.562  -4.986  -0.574
  149    HB2  ASN  22           HB2      ASN  22   7.676  -6.336  -1.441
  150    HB3  ASN  22           HB1      ASN  22   7.039  -4.902  -2.227
  151   HD21  ASN  22          HD21      ASN  22   9.502  -7.308  -2.255
  152   HD22  ASN  22          HD22      ASN  22  10.121  -6.943  -3.818
  153    H    ASP  23           H        ASP  23  10.887  -3.505  -1.315
  154    HA   ASP  23           HA       ASP  23  10.197  -0.797  -1.347
  155    HB2  ASP  23           HB2      ASP  23  12.475  -1.632  -0.878
  156    HB3  ASP  23           HB1      ASP  23  12.656  -2.035  -2.584
  157    H    ASP  24           H        ASP  24  10.528  -3.079  -3.996
  158    HA   ASP  24           HA       ASP  24  10.344  -1.186  -6.118
  159    HB2  ASP  24           HB2      ASP  24   9.595  -4.118  -6.072
  160    HB3  ASP  24           HB1      ASP  24   9.519  -3.127  -7.517
  161    H    LYS  25           H        LYS  25   7.997  -2.761  -4.144
  162    HA   LYS  25           HA       LYS  25   5.797  -1.911  -5.831
  163    HB2  LYS  25           HB2      LYS  25   5.818  -3.456  -3.235
  164    HB3  LYS  25           HB1      LYS  25   4.366  -3.091  -4.158
  165    HG2  LYS  25           HG2      LYS  25   6.710  -4.736  -5.086
  166    HG3  LYS  25           HG1      LYS  25   5.195  -5.379  -4.456
  167    HD2  LYS  25           HD2      LYS  25   5.363  -3.590  -6.879
  168    HD3  LYS  25           HD1      LYS  25   5.439  -5.350  -6.914
  169    HE2  LYS  25           HE2      LYS  25   3.143  -3.857  -5.652
  170    HE3  LYS  25           HE1      LYS  25   3.148  -4.316  -7.348
  171    HZ1  LYS  25           HZ1      LYS  25   1.996  -5.964  -6.073
  172    HZ2  LYS  25           HZ2      LYS  25   3.266  -6.214  -5.023
  173    HZ3  LYS  25           HZ3      LYS  25   3.419  -6.637  -6.641
  174    H    LEU  26           H        LEU  26   7.605  -0.560  -3.340
  175    HA   LEU  26           HA       LEU  26   5.620   0.624  -1.814
  176    HB2  LEU  26           HB2      LEU  26   8.468   1.458  -2.208
  177    HB3  LEU  26           HB1      LEU  26   7.376   2.351  -1.169
  178    HG   LEU  26           HG       LEU  26   8.189  -0.536  -0.818
  179   HD11  LEU  26          HD11      LEU  26   9.975   1.030  -0.279
  180   HD12  LEU  26          HD12      LEU  26   9.328   0.285   1.182
  181   HD13  LEU  26          HD13      LEU  26   8.876   1.935   0.760
  182   HD21  LEU  26          HD21      LEU  26   5.915  -0.200  -0.036
  183   HD22  LEU  26          HD22      LEU  26   6.415   1.232   0.861
  184   HD23  LEU  26          HD23      LEU  26   7.008  -0.358   1.339
  185    H    LEU  27           H        LEU  27   6.859   1.750  -4.896
  186    HA   LEU  27           HA       LEU  27   5.923   4.332  -4.896
  187    HB2  LEU  27           HB2      LEU  27   7.228   3.438  -6.695
  188    HB3  LEU  27           HB1      LEU  27   6.000   2.219  -7.022
  189    HG   LEU  27           HG       LEU  27   4.471   4.019  -7.476
  190   HD11  LEU  27          HD11      LEU  27   5.568   5.918  -6.497
  191   HD12  LEU  27          HD12      LEU  27   5.440   6.223  -8.229
  192   HD13  LEU  27          HD13      LEU  27   6.974   5.701  -7.534
  193   HD21  LEU  27          HD21      LEU  27   6.819   3.680  -9.314
  194   HD22  LEU  27          HD22      LEU  27   5.252   4.351  -9.801
  195   HD23  LEU  27          HD23      LEU  27   5.364   2.689  -9.210
  196    H    GLU  28           H        GLU  28   4.331   1.329  -5.821
  197    HA   GLU  28           HA       GLU  28   1.813   2.469  -6.368
  198    HB2  GLU  28           HB2      GLU  28   2.600  -0.372  -5.723
  199    HB3  GLU  28           HB1      GLU  28   1.005   0.107  -6.271
  200    HG2  GLU  28           HG2      GLU  28   1.985   0.927  -8.359
  201    HG3  GLU  28           HG1      GLU  28   3.570   0.384  -7.806
  202    H    MET  29           H        MET  29   3.410   1.331  -3.537
  203    HA   MET  29           HA       MET  29   0.996   1.018  -1.970
  204    HB2  MET  29           HB2      MET  29   3.855   1.216  -1.014
  205    HB3  MET  29           HB1      MET  29   2.479   0.767  -0.042
  206    HG2  MET  29           HG2      MET  29   3.535  -0.835  -2.365
  207    HG3  MET  29           HG1      MET  29   3.936  -1.135  -0.688
  208    HE1  MET  29           HE1      MET  29   0.013  -2.253  -2.852
  209    HE2  MET  29           HE2      MET  29   1.555  -1.875  -3.614
  210    HE3  MET  29          3HE       MET  29   0.583  -0.589  -2.910
  211    H    GLY  30           H        GLY  30   3.146   3.594  -2.750
  212    HA2  GLY  30           HA2      GLY  30   2.460   5.198  -0.511
  213    HA3  GLY  30           HA1      GLY  30   3.234   5.807  -1.951
  214    H    TYR  31           H        TYR  31   0.953   4.611  -3.550
  215    HA   TYR  31           HA       TYR  31  -0.916   6.672  -2.796
  216    HB2  TYR  31           HB2      TYR  31  -1.819   6.687  -5.058
  217    HB3  TYR  31           HB1      TYR  31  -0.117   7.147  -4.914
  218    HD1  TYR  31           HD1      TYR  31  -2.491   4.714  -6.172
  219    HD2  TYR  31           HD2      TYR  31   1.603   5.818  -6.014
  220    HE1  TYR  31           HE1      TYR  31  -2.034   3.245  -8.029
  221    HE2  TYR  31           HE2      TYR  31   2.089   4.358  -7.860
  222    HH   TYR  31           HH       TYR  31  -0.365   3.111  -9.826
  223    H    TYR  32           H        TYR  32  -0.769   3.352  -3.551
  224    HA   TYR  32           HA       TYR  32  -3.572   2.978  -3.241
  225    HB2  TYR  32           HB2      TYR  32  -1.310   0.992  -3.235
  226    HB3  TYR  32           HB1      TYR  32  -2.934   0.495  -2.830
  227    HD1  TYR  32           HD1      TYR  32  -0.667   0.479  -5.330
  228    HD2  TYR  32           HD2      TYR  32  -4.706   1.546  -4.663
  229    HE1  TYR  32           HE1      TYR  32  -1.144   0.106  -7.715
  230    HE2  TYR  32           HE2      TYR  32  -5.219   1.192  -7.021
  231    HH   TYR  32           HH       TYR  32  -3.046  -0.426  -9.101
  232    H    CYS  33           H        CYS  33  -0.820   2.709  -0.982
  233    HA   CYS  33           HA       CYS  33  -2.778   2.367   1.180
  234    HB2  CYS  33           HB2      CYS  33  -0.225   0.781   0.916
  235    HB3  CYS  33           HB1      CYS  33  -1.456   0.635   2.153
  236    HA   PRO  34           HA       PRO  34   0.757   5.498   1.974
  237    HB2  PRO  34           HB2      PRO  34  -0.808   7.615   2.616
  238    HB3  PRO  34           HB1      PRO  34  -0.201   7.285   0.986
  239    HG2  PRO  34           HG2      PRO  34  -2.881   6.643   2.164
  240    HG3  PRO  34           HG1      PRO  34  -2.503   7.342   0.583
  241    HD2  PRO  34           HD2      PRO  34  -3.079   4.756   0.844
  242    HD3  PRO  34           HD1      PRO  34  -1.841   5.307  -0.303
  243    H    VAL  35           H        VAL  35  -2.230   4.641   3.504
  244    HA   VAL  35           HA       VAL  35  -1.402   5.670   6.060
  245    HB   VAL  35           HB       VAL  35  -3.921   4.178   5.334
  246   HG11  VAL  35          HG11      VAL  35  -4.782   5.087   7.458
  247   HG12  VAL  35          HG12      VAL  35  -3.186   5.772   7.783
  248   HG13  VAL  35          3HG1      VAL  35  -3.393   4.023   7.708
  249   HG21  VAL  35          HG21      VAL  35  -4.958   6.392   5.338
  250   HG22  VAL  35          HG22      VAL  35  -3.652   6.259   4.143
  251   HG23  VAL  35          HG23      VAL  35  -3.371   7.111   5.650
  252    H    THR  36           H        THR  36  -2.408   2.536   4.741
  253    HA   THR  36           HA       THR  36  -1.800   1.029   7.018
  254    HB   THR  36           HB       THR  36  -1.903   0.136   4.131
  255    HG1  THR  36           HG1      THR  36  -3.889   1.054   5.014
  256   HG21  THR  36          HG21      THR  36  -0.735  -1.530   5.518
  257   HG22  THR  36          HG22      THR  36  -2.323  -2.124   5.031
  258   HG23  THR  36          HG23      THR  36  -2.072  -1.516   6.668
  259    H    CYS  37           H        CYS  37   0.282   1.802   4.270
  260    HA   CYS  37           HA       CYS  37   2.410   0.202   5.303
  261    HB2  CYS  37           HB2      CYS  37   2.236   2.089   2.998
  262    HB3  CYS  37           HB1      CYS  37   3.716   1.212   3.401
  263    H    GLY  38           H        GLY  38   1.290   3.034   6.408
  264    HA2  GLY  38           HA2      GLY  38   2.178   4.302   8.094
  265    HA3  GLY  38           HA1      GLY  38   3.666   3.393   7.945
  266    H    PHE  39           H        PHE  39   2.434   5.014   5.120
  267    HA   PHE  39           HA       PHE  39   4.736   6.736   5.049
  268    HB2  PHE  39           HB2      PHE  39   2.177   6.849   3.410
  269    HB3  PHE  39           HB1      PHE  39   3.608   7.815   3.100
  270    HD1  PHE  39           HD1      PHE  39   5.563   6.820   2.094
  271    HD2  PHE  39           HD2      PHE  39   2.068   4.551   2.832
  272    HE1  PHE  39           HE1      PHE  39   6.411   5.078   0.587
  273    HE2  PHE  39           HE2      PHE  39   2.918   2.782   1.298
  274    HZ   PHE  39           HZ       PHE  39   5.083   3.055   0.193
  275    HA   CYS  40           HA       CYS  40   1.723   9.531   7.068
  276    HB2  CYS  40           HB2      CYS  40   0.797  10.086   4.851
  277    HB3  CYS  40           HB1      CYS  40  -0.507   8.926   5.134
  278    HN1  NH2  41           H1       CYS  40   1.585   8.365   8.964
  279    HN2  NH2  41           H2       CYS  40   0.187   7.463   9.437
  Start of MODEL    5
    1    H1   GLU   1           HT1      GLU   1  -1.585  15.630  -1.046
    2    H2   GLU   1           HT2      GLU   1  -2.378  14.689  -2.199
    3    H3   GLU   1           HT3      GLU   1  -0.724  14.884  -2.295
    4    HA   GLU   1           HA       GLU   1  -1.333  12.730  -1.407
    5    HB2  GLU   1           HB2      GLU   1   0.780  13.809  -0.637
    6    HB3  GLU   1           HB1      GLU   1  -0.137  14.538   0.680
    7    HG2  GLU   1           HG2      GLU   1  -0.631  12.374   1.602
    8    HG3  GLU   1           HG1      GLU   1   0.187  11.589   0.253
    9    H    HIS   2           H        HIS   2  -3.309  12.037  -0.898
   10    HA   HIS   2           HA       HIS   2  -4.387  13.128   1.565
   11    HB2  HIS   2           HB2      HIS   2  -6.603  12.253   0.944
   12    HB3  HIS   2           HB1      HIS   2  -6.000  13.336  -0.293
   13    HD1  HIS   2           HD1      HIS   2  -7.850  10.363  -0.045
   14    HD2  HIS   2           HD2      HIS   2  -4.693  11.577  -2.453
   15    HE1  HIS   2           HE1      HIS   2  -7.909   8.879  -2.078
   16    H    CYS   3           H        CYS   3  -4.038  11.973   3.285
   17    HA   CYS   3           HA       CYS   3  -3.058   9.315   2.940
   18    HB2  CYS   3           HB2      CYS   3  -3.541  10.825   5.500
   19    HB3  CYS   3           HB1      CYS   3  -2.699   9.288   5.341
   20    H    ALA   4           H        ALA   4  -4.758   8.347   2.045
   21    HA   ALA   4           HA       ALA   4  -6.515   7.076   3.939
   22    HB1  ALA   4           HB1      ALA   4  -7.550   8.507   1.478
   23    HB2  ALA   4           HB2      ALA   4  -7.872   8.965   3.150
   24    HB3  ALA   4           HB3      ALA   4  -8.500   7.443   2.514
   25    H    ASP   5           H        ASP   5  -5.975   5.039   3.573
   26    HA   ASP   5           HA       ASP   5  -4.927   3.922   1.205
   27    HB2  ASP   5           HB2      ASP   5  -6.651   2.463   3.210
   28    HB3  ASP   5           HB1      ASP   5  -5.431   1.767   2.156
   29    H    GLU   6           H        GLU   6  -5.875   2.787  -0.479
   30    HA   GLU   6           HA       GLU   6  -8.405   3.742  -1.333
   31    HB2  GLU   6           HB2      GLU   6  -6.557   3.380  -2.877
   32    HB3  GLU   6           HB1      GLU   6  -6.508   1.682  -2.457
   33    HG2  GLU   6           HG2      GLU   6  -7.510   2.058  -4.621
   34    HG3  GLU   6           HG1      GLU   6  -8.656   1.333  -3.495
   35    H    LYS   7           H        LYS   7 -10.306   2.677  -1.561
   36    HA   LYS   7           HA       LYS   7 -10.801   0.429   0.188
   37    HB2  LYS   7           HB2      LYS   7 -13.186   0.851  -0.498
   38    HB3  LYS   7           HB1      LYS   7 -12.395   2.151   0.380
   39    HG2  LYS   7           HG2      LYS   7 -12.102   3.412  -1.606
   40    HG3  LYS   7           HG1      LYS   7 -12.619   2.063  -2.613
   41    HD2  LYS   7           HD2      LYS   7 -14.334   3.320  -0.538
   42    HD3  LYS   7           HD1      LYS   7 -14.321   3.899  -2.218
   43    HE2  LYS   7           HE2      LYS   7 -14.865   1.542  -2.893
   44    HE3  LYS   7           HE1      LYS   7 -15.080   1.165  -1.190
   45    HZ1  LYS   7           HZ1      LYS   7 -16.657   3.150  -2.730
   46    HZ2  LYS   7           HZ2      LYS   7 -16.861   2.822  -1.094
   47    HZ3  LYS   7           HZ3      LYS   7 -17.181   1.627  -2.247
   48    H    ASN   8           H        ASN   8 -10.534   1.161  -3.086
   49    HA   ASN   8           HA       ASN   8 -11.722  -1.338  -4.031
   50    HB2  ASN   8           HB2      ASN   8 -10.464   0.953  -5.552
   51    HB3  ASN   8           HB1      ASN   8 -11.151  -0.477  -6.315
   52   HD21  ASN   8          HD21      ASN   8 -13.384  -0.788  -6.220
   53   HD22  ASN   8          HD22      ASN   8 -14.468   0.502  -5.888
   54    H    PHE   9           H        PHE   9  -9.184  -0.972  -2.491
   55    HA   PHE   9           HA       PHE   9  -7.531  -2.908  -3.923
   56    HB2  PHE   9           HB2      PHE   9  -6.774  -0.465  -4.224
   57    HB3  PHE   9           HB1      PHE   9  -6.514  -0.469  -2.484
   58    HD1  PHE   9           HD1      PHE   9  -4.454  -1.045  -1.696
   59    HD2  PHE   9           HD2      PHE   9  -5.717  -2.416  -5.492
   60    HE1  PHE   9           HE1      PHE   9  -2.243  -2.020  -2.071
   61    HE2  PHE   9           HE2      PHE   9  -3.564  -3.396  -5.890
   62    HZ   PHE   9           HZ       PHE   9  -1.764  -3.193  -4.166
   63    H    ASP  10           H        ASP  10  -6.708  -4.357  -2.295
   64    HA   ASP  10           HA       ASP  10  -7.697  -3.625   0.355
   65    HB2  ASP  10           HB2      ASP  10  -8.622  -5.773  -0.484
   66    HB3  ASP  10           HB1      ASP  10  -6.984  -6.432  -0.521
   67    H    CYS  11           H        CYS  11  -6.293  -2.631   1.407
   68    HA   CYS  11           HA       CYS  11  -3.515  -2.964   1.078
   69    HB2  CYS  11           HB2      CYS  11  -5.090  -1.446   3.130
   70    HB3  CYS  11           HB1      CYS  11  -3.339  -1.338   2.931
   71    H    ARG  12           H        ARG  12  -5.707  -4.720   2.987
   72    HA   ARG  12           HA       ARG  12  -3.907  -5.375   5.137
   73    HB2  ARG  12           HB2      ARG  12  -6.288  -6.969   4.119
   74    HB3  ARG  12           HB1      ARG  12  -5.413  -7.296   5.597
   75    HG2  ARG  12           HG2      ARG  12  -7.439  -6.281   6.184
   76    HG3  ARG  12           HG1      ARG  12  -6.175  -5.060   6.413
   77    HD2  ARG  12           HD2      ARG  12  -6.794  -3.996   4.346
   78    HD3  ARG  12           HD1      ARG  12  -7.949  -5.277   3.989
   79    HE   ARG  12           HE       ARG  12  -8.330  -3.769   6.428
   80   HH11  ARG  12          HH11      ARG  12  -9.326  -4.408   3.077
   81   HH12  ARG  12          HH12      ARG  12 -10.766  -3.521   3.188
   82   HH21  ARG  12          HH21      ARG  12 -10.375  -2.549   6.570
   83   HH22  ARG  12          HH22      ARG  12 -11.379  -2.453   5.202
   84    H    ARG  13           H        ARG  13  -5.121  -6.942   2.307
   85    HA   ARG  13           HA       ARG  13  -3.551  -9.201   2.040
   86    HB2  ARG  13           HB2      ARG  13  -5.375  -8.594   0.527
   87    HB3  ARG  13           HB1      ARG  13  -4.401  -7.291  -0.131
   88    HG2  ARG  13           HG2      ARG  13  -2.770  -8.972  -0.927
   89    HG3  ARG  13           HG1      ARG  13  -3.861 -10.240  -0.359
   90    HD2  ARG  13           HD2      ARG  13  -4.520  -8.121  -2.381
   91    HD3  ARG  13           HD1      ARG  13  -4.130  -9.806  -2.748
   92    HE   ARG  13           HE       ARG  13  -6.185  -9.984  -1.016
   93   HH11  ARG  13          HH11      ARG  13  -5.789  -8.279  -4.087
   94   HH12  ARG  13          HH12      ARG  13  -7.421  -8.400  -4.545
   95   HH21  ARG  13          HH21      ARG  13  -8.448 -10.128  -1.622
   96   HH22  ARG  13          HH22      ARG  13  -8.979  -9.468  -3.102
   97    H    SER  14           H        SER  14  -2.804  -5.980   0.715
   98    HA   SER  14           HA       SER  14  -0.305  -6.468  -0.332
   99    HB2  SER  14           HB2      SER  14  -1.186  -3.917   1.021
  100    HB3  SER  14           HB1      SER  14  -0.015  -4.084  -0.291
  101    HG   SER  14           HG       SER  14  -2.231  -3.451  -0.855
  102    H    LEU  15           H        LEU  15  -1.172  -5.670   3.017
  103    HA   LEU  15           HA       LEU  15   1.562  -5.411   3.848
  104    HB2  LEU  15           HB2      LEU  15  -0.351  -4.152   4.851
  105    HB3  LEU  15           HB1      LEU  15  -0.908  -5.652   5.547
  106    HG   LEU  15           HG       LEU  15   1.162  -5.818   6.875
  107   HD11  LEU  15          HD11      LEU  15   1.792  -3.118   5.697
  108   HD12  LEU  15          HD12      LEU  15   2.662  -4.623   5.396
  109   HD13  LEU  15          HD13      LEU  15   2.680  -3.901   7.007
  110   HD21  LEU  15          HD21      LEU  15   0.664  -4.002   8.425
  111   HD22  LEU  15          HD22      LEU  15  -0.820  -4.742   7.818
  112   HD23  LEU  15          HD23      LEU  15  -0.277  -3.189   7.176
  113    H    ARG  16           H        ARG  16  -0.918  -7.841   4.041
  114    HA   ARG  16           HA       ARG  16   0.442  -9.703   5.684
  115    HB2  ARG  16           HB2      ARG  16  -1.643 -10.150   3.552
  116    HB3  ARG  16           HB1      ARG  16  -1.085 -11.385   4.665
  117    HG2  ARG  16           HG2      ARG  16  -2.001 -10.168   6.536
  118    HG3  ARG  16           HG1      ARG  16  -2.447  -8.828   5.475
  119    HD2  ARG  16           HD2      ARG  16  -3.934 -10.293   4.230
  120    HD3  ARG  16           HD1      ARG  16  -3.487 -11.649   5.259
  121    HE   ARG  16           HE       ARG  16  -4.390  -9.856   7.025
  122   HH11  ARG  16          HH11      ARG  16  -5.793 -11.000   3.974
  123   HH12  ARG  16          HH12      ARG  16  -7.384 -10.911   4.495
  124   HH21  ARG  16          HH21      ARG  16  -6.644  -9.719   7.752
  125   HH22  ARG  16          HH22      ARG  16  -7.884 -10.151   6.664
  126    H    ASN  17           H        ASN  17   0.401  -9.169   2.251
  127    HA   ASN  17           HA       ASN  17   2.036 -11.446   1.610
  128    HB2  ASN  17           HB2      ASN  17   1.259  -9.012   0.028
  129    HB3  ASN  17           HB1      ASN  17   2.305 -10.275  -0.607
  130   HD21  ASN  17          HD21      ASN  17  -0.301  -9.360  -1.420
  131   HD22  ASN  17          HD22      ASN  17  -1.327 -10.760  -1.420
  132    H    GLY  18           H        GLY  18   2.560  -8.035   1.926
  133    HA2  GLY  18           HA2      GLY  18   4.616  -7.362   3.103
  134    HA3  GLY  18           HA1      GLY  18   5.437  -8.655   2.238
  135    H    ASP  19           H        ASP  19   3.241  -7.197   0.236
  136    HA   ASP  19           HA       ASP  19   5.246  -5.980  -1.395
  137    HB2  ASP  19           HB2      ASP  19   2.221  -5.703  -1.482
  138    HB3  ASP  19           HB1      ASP  19   3.306  -5.062  -2.705
  139    H    CYS  20           H        CYS  20   3.075  -5.001   1.015
  140    HA   CYS  20           HA       CYS  20   3.177  -2.183   0.759
  141    HB2  CYS  20           HB2      CYS  20   1.406  -3.522   1.874
  142    HB3  CYS  20           HB1      CYS  20   2.576  -3.944   3.109
  143    H    ASP  21           H        ASP  21   5.536  -4.397   1.805
  144    HA   ASP  21           HA       ASP  21   6.934  -2.339   3.397
  145    HB2  ASP  21           HB2      ASP  21   6.301  -4.332   4.729
  146    HB3  ASP  21           HB1      ASP  21   7.160  -5.360   3.595
  147    H    ASN  22           H        ASN  22   6.874  -3.901   0.500
  148    HA   ASN  22           HA       ASN  22   9.740  -4.260   0.161
  149    HB2  ASN  22           HB2      ASN  22   8.317  -6.007  -0.746
  150    HB3  ASN  22           HB1      ASN  22   7.429  -4.830  -1.697
  151   HD21  ASN  22          HD21      ASN  22   7.905  -5.942  -3.540
  152   HD22  ASN  22          HD22      ASN  22   9.456  -5.806  -4.325
  153    H    ASP  23           H        ASP  23  11.027  -2.940  -0.837
  154    HA   ASP  23           HA       ASP  23  10.489  -0.272  -1.210
  155    HB2  ASP  23           HB2      ASP  23  12.680  -0.042  -2.226
  156    HB3  ASP  23           HB1      ASP  23  12.755  -1.145  -0.859
  157    H    ASP  24           H        ASP  24  10.550  -2.757  -3.764
  158    HA   ASP  24           HA       ASP  24  10.237  -0.750  -5.781
  159    HB2  ASP  24           HB2      ASP  24  10.045  -2.490  -7.458
  160    HB3  ASP  24           HB1      ASP  24  11.359  -2.876  -6.365
  161    H    LYS  25           H        LYS  25   8.026  -2.144  -3.706
  162    HA   LYS  25           HA       LYS  25   5.807  -1.655  -5.555
  163    HB2  LYS  25           HB2      LYS  25   5.786  -2.854  -2.782
  164    HB3  LYS  25           HB1      LYS  25   4.412  -2.708  -3.861
  165    HG2  LYS  25           HG2      LYS  25   6.847  -4.382  -4.328
  166    HG3  LYS  25           HG1      LYS  25   5.254  -4.950  -3.818
  167    HD2  LYS  25           HD2      LYS  25   4.362  -3.869  -5.907
  168    HD3  LYS  25           HD1      LYS  25   6.034  -3.685  -6.416
  169    HE2  LYS  25           HE2      LYS  25   4.705  -6.264  -5.700
  170    HE3  LYS  25           HE1      LYS  25   5.033  -5.727  -7.346
  171    HZ1  LYS  25           HZ1      LYS  25   6.954  -6.568  -5.258
  172    HZ2  LYS  25           HZ2      LYS  25   7.454  -5.628  -6.541
  173    HZ3  LYS  25           HZ3      LYS  25   6.804  -7.168  -6.832
  174    H    LEU  26           H        LEU  26   7.578  -0.115  -3.177
  175    HA   LEU  26           HA       LEU  26   5.609   0.977  -1.578
  176    HB2  LEU  26           HB2      LEU  26   8.375   1.966  -2.085
  177    HB3  LEU  26           HB1      LEU  26   7.299   2.705  -0.916
  178    HG   LEU  26           HG       LEU  26   8.319  -0.133  -0.855
  179   HD11  LEU  26          HD11      LEU  26   9.992   1.569  -0.309
  180   HD12  LEU  26          HD12      LEU  26   9.566   0.562   1.070
  181   HD13  LEU  26          HD13      LEU  26   8.918   2.200   0.943
  182   HD21  LEU  26          HD21      LEU  26   6.080  -0.036   0.074
  183   HD22  LEU  26          HD22      LEU  26   6.525   1.351   1.063
  184   HD23  LEU  26          HD23      LEU  26   7.257  -0.224   1.375
  185    H    LEU  27           H        LEU  27   6.825   2.407  -4.630
  186    HA   LEU  27           HA       LEU  27   5.668   4.898  -4.217
  187    HB2  LEU  27           HB2      LEU  27   7.273   4.512  -5.953
  188    HB3  LEU  27           HB1      LEU  27   6.226   3.311  -6.696
  189    HG   LEU  27           HG       LEU  27   4.584   5.105  -6.896
  190   HD11  LEU  27          HD11      LEU  27   7.029   6.844  -6.527
  191   HD12  LEU  27          HD12      LEU  27   5.573   6.829  -5.531
  192   HD13  LEU  27          HD13      LEU  27   5.498   7.418  -7.190
  193   HD21  LEU  27          HD21      LEU  27   7.059   5.110  -8.581
  194   HD22  LEU  27          HD22      LEU  27   5.502   5.817  -9.063
  195   HD23  LEU  27          HD23      LEU  27   5.629   4.085  -8.722
  196    H    GLU  28           H        GLU  28   4.491   1.921  -5.672
  197    HA   GLU  28           HA       GLU  28   1.946   2.874  -6.457
  198    HB2  GLU  28           HB2      GLU  28   2.966   0.825  -7.381
  199    HB3  GLU  28           HB1      GLU  28   2.865   0.063  -5.803
  200    HG2  GLU  28           HG2      GLU  28   0.440   0.187  -5.897
  201    HG3  GLU  28           HG1      GLU  28   0.532   0.942  -7.492
  202    H    MET  29           H        MET  29   3.304   1.601  -3.576
  203    HA   MET  29           HA       MET  29   0.783   1.145  -2.204
  204    HB2  MET  29           HB2      MET  29   3.586   1.301  -1.080
  205    HB3  MET  29           HB1      MET  29   2.166   0.838  -0.178
  206    HG2  MET  29           HG2      MET  29   3.299  -0.705  -2.505
  207    HG3  MET  29           HG1      MET  29   3.661  -1.046  -0.827
  208    HE1  MET  29           HE1      MET  29  -0.171  -2.132  -3.143
  209    HE2  MET  29           HE2      MET  29   1.402  -1.742  -3.831
  210    HE3  MET  29          3HE       MET  29   0.397  -0.467  -3.153
  211    H    GLY  30           H        GLY  30   2.954   3.735  -2.693
  212    HA2  GLY  30           HA2      GLY  30   2.355   5.329  -0.487
  213    HA3  GLY  30           HA1      GLY  30   2.929   5.917  -2.039
  214    H    TYR  31           H        TYR  31   0.799   5.067  -3.610
  215    HA   TYR  31           HA       TYR  31  -1.125   6.963  -2.626
  216    HB2  TYR  31           HB2      TYR  31  -2.120   6.920  -4.945
  217    HB3  TYR  31           HB1      TYR  31  -0.496   7.566  -4.728
  218    HD1  TYR  31           HD1      TYR  31   1.441   6.458  -5.704
  219    HD2  TYR  31           HD2      TYR  31  -2.488   4.896  -6.193
  220    HE1  TYR  31           HE1      TYR  31   2.226   5.098  -7.508
  221    HE2  TYR  31           HE2      TYR  31  -1.695   3.499  -8.015
  222    HH   TYR  31           HH       TYR  31   1.614   3.020  -8.693
  223    H    TYR  32           H        TYR  32  -0.984   3.666  -3.509
  224    HA   TYR  32           HA       TYR  32  -3.788   3.268  -3.140
  225    HB2  TYR  32           HB2      TYR  32  -1.554   1.337  -3.567
  226    HB3  TYR  32           HB1      TYR  32  -3.077   0.729  -2.947
  227    HD1  TYR  32           HD1      TYR  32  -1.292   1.245  -5.862
  228    HD2  TYR  32           HD2      TYR  32  -5.178   1.760  -4.247
  229    HE1  TYR  32           HE1      TYR  32  -2.242   1.215  -8.134
  230    HE2  TYR  32           HE2      TYR  32  -6.135   1.733  -6.496
  231    HH   TYR  32           HH       TYR  32  -5.413   2.211  -8.722
  232    H    CYS  33           H        CYS  33  -1.063   2.756  -0.922
  233    HA   CYS  33           HA       CYS  33  -3.050   2.454   1.205
  234    HB2  CYS  33           HB2      CYS  33  -0.662   0.648   0.809
  235    HB3  CYS  33           HB1      CYS  33  -1.797   0.594   2.153
  236    HA   PRO  34           HA       PRO  34   0.683   5.324   1.974
  237    HB2  PRO  34           HB2      PRO  34  -0.751   7.458   2.874
  238    HB3  PRO  34           HB1      PRO  34  -0.270   7.218   1.190
  239    HG2  PRO  34           HG2      PRO  34  -2.888   6.586   2.510
  240    HG3  PRO  34           HG1      PRO  34  -2.602   7.370   0.950
  241    HD2  PRO  34           HD2      PRO  34  -3.254   4.796   1.094
  242    HD3  PRO  34           HD1      PRO  34  -2.065   5.362  -0.097
  243    H    VAL  35           H        VAL  35  -2.204   4.552   3.746
  244    HA   VAL  35           HA       VAL  35  -1.009   5.440   6.189
  245    HB   VAL  35           HB       VAL  35  -3.741   4.252   5.766
  246   HG11  VAL  35          HG11      VAL  35  -2.560   5.675   8.156
  247   HG12  VAL  35          HG12      VAL  35  -2.932   3.955   8.068
  248   HG13  VAL  35          3HG1      VAL  35  -4.238   5.143   8.000
  249   HG21  VAL  35          HG21      VAL  35  -2.769   7.073   6.062
  250   HG22  VAL  35          HG22      VAL  35  -4.471   6.598   5.946
  251   HG23  VAL  35          HG23      VAL  35  -3.358   6.320   4.591
  252    H    THR  36           H        THR  36  -2.183   2.432   4.786
  253    HA   THR  36           HA       THR  36  -1.551   0.756   6.963
  254    HB   THR  36           HB       THR  36  -1.647  -0.046   4.048
  255    HG1  THR  36           HG1      THR  36  -3.501   1.100   4.596
  256   HG21  THR  36          HG21      THR  36  -0.836  -1.788   5.576
  257   HG22  THR  36          HG22      THR  36  -2.434  -2.201   4.950
  258   HG23  THR  36          HG23      THR  36  -2.263  -1.573   6.589
  259    H    CYS  37           H        CYS  37   0.339   1.735   4.136
  260    HA   CYS  37           HA       CYS  37   2.520   0.037   4.899
  261    HB2  CYS  37           HB2      CYS  37   2.233   2.050   2.703
  262    HB3  CYS  37           HB1      CYS  37   3.643   1.001   2.902
  263    H    GLY  38           H        GLY  38   1.537   2.882   6.133
  264    HA2  GLY  38           HA2      GLY  38   2.615   4.006   7.839
  265    HA3  GLY  38           HA1      GLY  38   4.069   3.118   7.452
  266    H    PHE  39           H        PHE  39   2.602   4.910   4.876
  267    HA   PHE  39           HA       PHE  39   4.846   6.712   4.758
  268    HB2  PHE  39           HB2      PHE  39   2.194   6.797   3.276
  269    HB3  PHE  39           HB1      PHE  39   3.570   7.836   2.934
  270    HD1  PHE  39           HD1      PHE  39   5.493   6.998   1.779
  271    HD2  PHE  39           HD2      PHE  39   2.206   4.491   2.696
  272    HE1  PHE  39           HE1      PHE  39   6.378   5.322   0.221
  273    HE2  PHE  39           HE2      PHE  39   3.096   2.778   1.106
  274    HZ   PHE  39           HZ       PHE  39   5.172   3.207  -0.109
  275    HA   CYS  40           HA       CYS  40   1.880   9.436   6.886
  276    HB2  CYS  40           HB2      CYS  40  -0.674   8.008   6.128
  277    HB3  CYS  40           HB1      CYS  40  -0.557   9.623   6.819
  278    HN1  NH2  41           H1       CYS  40   2.640   8.842   8.850
  279    HN2  NH2  41           H2       CYS  40   1.906   7.681   9.903
  Start of MODEL    6
    1    H1   GLU   1           HT1      GLU   1  -4.103  17.573  -0.866
    2    H2   GLU   1           HT2      GLU   1  -4.030  17.191  -2.510
    3    H3   GLU   1           HT3      GLU   1  -2.946  16.492  -1.412
    4    HA   GLU   1           HA       GLU   1  -5.859  16.104  -1.338
    5    HB2  GLU   1           HB2      GLU   1  -5.392  13.790  -2.062
    6    HB3  GLU   1           HB1      GLU   1  -4.945  14.955  -3.297
    7    HG2  GLU   1           HG2      GLU   1  -2.616  14.679  -2.790
    8    HG3  GLU   1           HG1      GLU   1  -2.997  13.692  -1.378
    9    H    HIS   2           H        HIS   2  -6.445  14.401   0.159
   10    HA   HIS   2           HA       HIS   2  -4.677  14.346   2.469
   11    HB2  HIS   2           HB2      HIS   2  -7.035  14.930   2.894
   12    HB3  HIS   2           HB1      HIS   2  -7.559  13.444   2.114
   13    HD1  HIS   2           HD1      HIS   2  -7.909  11.474   3.665
   14    HD2  HIS   2           HD2      HIS   2  -5.494  14.413   5.336
   15    HE1  HIS   2           HE1      HIS   2  -7.437  10.734   6.010
   16    H    CYS   3           H        CYS   3  -3.351  12.651   2.666
   17    HA   CYS   3           HA       CYS   3  -3.684  10.443   0.908
   18    HB2  CYS   3           HB2      CYS   3  -1.584   9.578   1.936
   19    HB3  CYS   3           HB1      CYS   3  -1.434  11.198   1.278
   20    H    ALA   4           H        ALA   4  -5.003   8.894   1.227
   21    HA   ALA   4           HA       ALA   4  -5.149   7.597   3.813
   22    HB1  ALA   4           HB1      ALA   4  -7.069   9.126   3.753
   23    HB2  ALA   4           HB2      ALA   4  -7.600   7.450   3.609
   24    HB3  ALA   4           HB3      ALA   4  -7.540   8.480   2.180
   25    H    ASP   5           H        ASP   5  -5.839   5.409   3.558
   26    HA   ASP   5           HA       ASP   5  -4.817   4.132   1.225
   27    HB2  ASP   5           HB2      ASP   5  -6.730   2.874   3.176
   28    HB3  ASP   5           HB1      ASP   5  -5.551   2.061   2.162
   29    H    GLU   6           H        GLU   6  -5.916   2.835  -0.288
   30    HA   GLU   6           HA       GLU   6  -8.356   4.051  -1.223
   31    HB2  GLU   6           HB2      GLU   6  -6.162   3.140  -2.512
   32    HB3  GLU   6           HB1      GLU   6  -7.120   1.675  -2.543
   33    HG2  GLU   6           HG2      GLU   6  -7.926   4.343  -3.672
   34    HG3  GLU   6           HG1      GLU   6  -7.357   2.936  -4.569
   35    H    LYS   7           H        LYS   7 -10.247   2.787  -1.675
   36    HA   LYS   7           HA       LYS   7 -10.800   0.977   0.516
   37    HB2  LYS   7           HB2      LYS   7 -13.108   1.330   0.065
   38    HB3  LYS   7           HB1      LYS   7 -12.283   2.880   0.032
   39    HG2  LYS   7           HG2      LYS   7 -12.182   2.560  -2.506
   40    HG3  LYS   7           HG1      LYS   7 -13.370   1.286  -2.262
   41    HD2  LYS   7           HD2      LYS   7 -14.629   3.210  -2.737
   42    HD3  LYS   7           HD1      LYS   7 -14.686   2.976  -0.979
   43    HE2  LYS   7           HE2      LYS   7 -14.293   5.338  -1.621
   44    HE3  LYS   7           HE1      LYS   7 -13.021   4.658  -0.615
   45    HZ1  LYS   7           HZ1      LYS   7 -12.072   5.917  -2.384
   46    HZ2  LYS   7           HZ2      LYS   7 -12.945   5.104  -3.552
   47    HZ3  LYS   7           HZ3      LYS   7 -11.701   4.312  -2.736
   48    H    ASN   8           H        ASN   8 -10.633   0.847  -2.899
   49    HA   ASN   8           HA       ASN   8 -11.791  -1.835  -2.954
   50    HB2  ASN   8           HB2      ASN   8 -10.779  -0.087  -5.211
   51    HB3  ASN   8           HB1      ASN   8 -11.412  -1.710  -5.441
   52   HD21  ASN   8          HD21      ASN   8 -12.356   0.827  -6.488
   53   HD22  ASN   8          HD22      ASN   8 -13.990   0.969  -5.983
   54    H    PHE   9           H        PHE   9  -8.797  -0.223  -3.149
   55    HA   PHE   9           HA       PHE   9  -7.199  -2.457  -3.998
   56    HB2  PHE   9           HB2      PHE   9  -6.559   0.042  -3.936
   57    HB3  PHE   9           HB1      PHE   9  -6.238  -0.240  -2.221
   58    HD1  PHE   9           HD1      PHE   9  -4.378  -1.545  -1.512
   59    HD2  PHE   9           HD2      PHE   9  -5.312  -1.105  -5.610
   60    HE1  PHE   9           HE1      PHE   9  -2.226  -2.529  -2.098
   61    HE2  PHE   9           HE2      PHE   9  -3.199  -2.066  -6.226
   62    HZ   PHE   9           HZ       PHE   9  -1.596  -2.790  -4.456
   63    H    ASP  10           H        ASP  10  -6.318  -4.062  -2.768
   64    HA   ASP  10           HA       ASP  10  -7.407  -4.262  -0.092
   65    HB2  ASP  10           HB2      ASP  10  -7.579  -6.166  -1.721
   66    HB3  ASP  10           HB1      ASP  10  -5.835  -6.340  -1.605
   67    H    CYS  11           H        CYS  11  -6.194  -2.921   1.085
   68    HA   CYS  11           HA       CYS  11  -3.364  -2.807   0.986
   69    HB2  CYS  11           HB2      CYS  11  -5.275  -1.792   3.099
   70    HB3  CYS  11           HB1      CYS  11  -3.580  -1.344   2.943
   71    H    ARG  12           H        ARG  12  -5.688  -4.607   2.887
   72    HA   ARG  12           HA       ARG  12  -3.909  -5.302   5.011
   73    HB2  ARG  12           HB2      ARG  12  -6.453  -6.678   4.150
   74    HB3  ARG  12           HB1      ARG  12  -5.632  -6.890   5.688
   75    HG2  ARG  12           HG2      ARG  12  -6.875  -4.339   4.695
   76    HG3  ARG  12           HG1      ARG  12  -7.577  -5.433   5.885
   77    HD2  ARG  12           HD2      ARG  12  -5.743  -4.974   7.415
   78    HD3  ARG  12           HD1      ARG  12  -4.947  -3.977   6.197
   79    HE   ARG  12           HE       ARG  12  -7.272  -2.782   6.367
   80   HH11  ARG  12          HH11      ARG  12  -5.150  -3.876   9.009
   81   HH12  ARG  12          HH12      ARG  12  -5.612  -2.626  10.061
   82   HH21  ARG  12          HH21      ARG  12  -7.894  -1.080   7.855
   83   HH22  ARG  12          HH22      ARG  12  -7.180  -1.047   9.409
   84    H    ARG  13           H        ARG  13  -5.116  -7.080   2.201
   85    HA   ARG  13           HA       ARG  13  -3.548  -9.354   2.732
   86    HB2  ARG  13           HB2      ARG  13  -5.481  -9.610   1.401
   87    HB3  ARG  13           HB1      ARG  13  -4.969  -8.365   0.287
   88    HG2  ARG  13           HG2      ARG  13  -3.299  -9.788  -0.636
   89    HG3  ARG  13           HG1      ARG  13  -3.588 -11.013   0.602
   90    HD2  ARG  13           HD2      ARG  13  -4.663 -11.464  -1.624
   91    HD3  ARG  13           HD1      ARG  13  -5.754 -11.489  -0.244
   92    HE   ARG  13           HE       ARG  13  -6.435  -9.218  -0.893
   93   HH11  ARG  13          HH11      ARG  13  -5.024 -11.326  -3.349
   94   HH12  ARG  13          HH12      ARG  13  -5.759 -10.529  -4.658
   95   HH21  ARG  13          HH21      ARG  13  -7.487  -8.188  -2.661
   96   HH22  ARG  13          HH22      ARG  13  -7.185  -8.666  -4.267
   97    H    SER  14           H        SER  14  -2.964  -6.496   0.687
   98    HA   SER  14           HA       SER  14  -0.534  -7.390  -0.393
   99    HB2  SER  14           HB2      SER  14  -1.396  -4.552   0.246
  100    HB3  SER  14           HB1      SER  14  -0.074  -4.983  -0.836
  101    HG   SER  14           HG       SER  14  -2.800  -5.067  -1.209
  102    H    LEU  15           H        LEU  15  -1.275  -5.831   2.664
  103    HA   LEU  15           HA       LEU  15   1.354  -5.412   3.560
  104    HB2  LEU  15           HB2      LEU  15  -0.629  -4.316   4.508
  105    HB3  LEU  15           HB1      LEU  15  -1.204  -5.855   5.096
  106    HG   LEU  15           HG       LEU  15   0.682  -5.970   6.670
  107   HD11  LEU  15          HD11      LEU  15   1.365  -3.230   5.607
  108   HD12  LEU  15          HD12      LEU  15   2.306  -4.705   5.375
  109   HD13  LEU  15          HD13      LEU  15   2.119  -4.025   6.992
  110   HD21  LEU  15          HD21      LEU  15  -1.440  -4.948   7.330
  111   HD22  LEU  15          HD22      LEU  15  -0.837  -3.375   6.796
  112   HD23  LEU  15          HD23      LEU  15  -0.068  -4.200   8.151
  113    H    ARG  16           H        ARG  16  -0.922  -8.067   3.981
  114    HA   ARG  16           HA       ARG  16   0.785  -9.660   5.592
  115    HB2  ARG  16           HB2      ARG  16  -1.608 -10.391   3.929
  116    HB3  ARG  16           HB1      ARG  16  -0.767 -11.536   4.961
  117    HG2  ARG  16           HG2      ARG  16  -1.315 -10.159   6.909
  118    HG3  ARG  16           HG1      ARG  16  -2.150  -9.017   5.854
  119    HD2  ARG  16           HD2      ARG  16  -3.713 -10.555   6.937
  120    HD3  ARG  16           HD1      ARG  16  -3.714 -10.745   5.183
  121    HE   ARG  16           HE       ARG  16  -1.909 -12.555   6.381
  122   HH11  ARG  16          HH11      ARG  16  -5.367 -12.062   5.868
  123   HH12  ARG  16          HH12      ARG  16  -5.795 -13.701   6.059
  124   HH21  ARG  16          HH21      ARG  16  -2.480 -14.858   6.602
  125   HH22  ARG  16          HH22      ARG  16  -4.117 -15.313   6.477
  126    H    ASN  17           H        ASN  17   0.374  -9.404   2.128
  127    HA   ASN  17           HA       ASN  17   1.769 -11.784   1.403
  128    HB2  ASN  17           HB2      ASN  17   1.468  -9.220  -0.163
  129    HB3  ASN  17           HB1      ASN  17   2.114 -10.719  -0.793
  130   HD21  ASN  17          HD21      ASN  17  -0.064  -9.119  -1.602
  131   HD22  ASN  17          HD22      ASN  17  -1.482 -10.126  -1.631
  132    H    GLY  18           H        GLY  18   2.738  -8.443   1.740
  133    HA2  GLY  18           HA2      GLY  18   5.062  -8.124   2.613
  134    HA3  GLY  18           HA1      GLY  18   5.526  -9.322   1.418
  135    H    ASP  19           H        ASP  19   3.027  -7.375   0.285
  136    HA   ASP  19           HA       ASP  19   4.659  -6.202  -1.750
  137    HB2  ASP  19           HB2      ASP  19   1.813  -5.573  -0.937
  138    HB3  ASP  19           HB1      ASP  19   2.589  -4.986  -2.400
  139    H    CYS  20           H        CYS  20   3.352  -5.260   1.275
  140    HA   CYS  20           HA       CYS  20   3.941  -2.455   0.986
  141    HB2  CYS  20           HB2      CYS  20   1.949  -3.222   2.197
  142    HB3  CYS  20           HB1      CYS  20   2.961  -4.104   3.324
  143    H    ASP  21           H        ASP  21   5.795  -5.075   1.476
  144    HA   ASP  21           HA       ASP  21   7.733  -3.652   3.187
  145    HB2  ASP  21           HB2      ASP  21   6.945  -5.739   4.189
  146    HB3  ASP  21           HB1      ASP  21   7.326  -6.621   2.719
  147    H    ASN  22           H        ASN  22   7.005  -4.601   0.073
  148    HA   ASN  22           HA       ASN  22   9.730  -5.167  -0.736
  149    HB2  ASN  22           HB2      ASN  22   7.953  -6.548  -1.676
  150    HB3  ASN  22           HB1      ASN  22   7.159  -5.134  -2.345
  151   HD21  ASN  22          HD21      ASN  22   8.233  -7.602  -3.599
  152   HD22  ASN  22          HD22      ASN  22   9.331  -7.044  -4.822
  153    H    ASP  23           H        ASP  23  11.033  -3.760  -1.391
  154    HA   ASP  23           HA       ASP  23  10.734  -1.034  -1.291
  155    HB2  ASP  23           HB2      ASP  23  12.891  -2.064  -1.209
  156    HB3  ASP  23           HB1      ASP  23  12.717  -2.660  -2.854
  157    H    ASP  24           H        ASP  24  10.552  -3.064  -4.208
  158    HA   ASP  24           HA       ASP  24  10.349  -0.892  -6.041
  159    HB2  ASP  24           HB2      ASP  24   9.420  -3.758  -6.361
  160    HB3  ASP  24           HB1      ASP  24   9.394  -2.570  -7.650
  161    H    LYS  25           H        LYS  25   8.060  -2.689  -4.186
  162    HA   LYS  25           HA       LYS  25   5.819  -1.567  -5.608
  163    HB2  LYS  25           HB2      LYS  25   6.041  -3.615  -3.439
  164    HB3  LYS  25           HB1      LYS  25   4.494  -2.848  -3.768
  165    HG2  LYS  25           HG2      LYS  25   4.603  -4.940  -4.885
  166    HG3  LYS  25           HG1      LYS  25   4.662  -3.658  -6.090
  167    HD2  LYS  25           HD2      LYS  25   7.095  -3.950  -6.242
  168    HD3  LYS  25           HD1      LYS  25   7.002  -5.256  -5.055
  169    HE2  LYS  25           HE2      LYS  25   5.499  -6.471  -6.521
  170    HE3  LYS  25           HE1      LYS  25   5.615  -5.170  -7.706
  171    HZ1  LYS  25           HZ1      LYS  25   8.016  -5.631  -7.862
  172    HZ2  LYS  25           HZ2      LYS  25   7.094  -6.946  -8.320
  173    HZ3  LYS  25           HZ3      LYS  25   7.842  -6.934  -6.818
  174    H    LEU  26           H        LEU  26   7.725  -0.602  -3.021
  175    HA   LEU  26           HA       LEU  26   5.817   0.493  -1.318
  176    HB2  LEU  26           HB2      LEU  26   8.640   1.416  -1.803
  177    HB3  LEU  26           HB1      LEU  26   7.617   2.051  -0.530
  178    HG   LEU  26           HG       LEU  26   8.606  -0.784  -0.798
  179   HD11  LEU  26          HD11      LEU  26   9.224   1.356   1.223
  180   HD12  LEU  26          HD12      LEU  26  10.310   0.758  -0.033
  181   HD13  LEU  26          HD13      LEU  26   9.799  -0.310   1.274
  182   HD21  LEU  26          HD21      LEU  26   6.374  -0.816   0.111
  183   HD22  LEU  26          HD22      LEU  26   6.788   0.454   1.257
  184   HD23  LEU  26          HD23      LEU  26   7.534  -1.140   1.399
  185    H    LEU  27           H        LEU  27   7.153   1.843  -4.277
  186    HA   LEU  27           HA       LEU  27   6.215   4.427  -4.092
  187    HB2  LEU  27           HB2      LEU  27   7.672   3.788  -5.834
  188    HB3  LEU  27           HB1      LEU  27   6.592   2.501  -6.351
  189    HG   LEU  27           HG       LEU  27   4.975   4.206  -6.920
  190   HD11  LEU  27          HD11      LEU  27   5.786   6.127  -5.704
  191   HD12  LEU  27          HD12      LEU  27   5.811   6.515  -7.425
  192   HD13  LEU  27          HD13      LEU  27   7.309   6.096  -6.592
  193   HD21  LEU  27          HD21      LEU  27   7.565   4.166  -8.426
  194   HD22  LEU  27          HD22      LEU  27   6.014   4.727  -9.087
  195   HD23  LEU  27          HD23      LEU  27   6.204   3.050  -8.550
  196    H    GLU  28           H        GLU  28   4.681   1.501  -5.403
  197    HA   GLU  28           HA       GLU  28   2.222   2.678  -6.107
  198    HB2  GLU  28           HB2      GLU  28   3.019   0.540  -7.058
  199    HB3  GLU  28           HB1      GLU  28   2.893  -0.205  -5.478
  200    HG2  GLU  28           HG2      GLU  28   0.518   0.020  -5.496
  201    HG3  GLU  28           HG1      GLU  28   0.573   0.939  -7.003
  202    H    MET  29           H        MET  29   3.531   1.400  -3.214
  203    HA   MET  29           HA       MET  29   1.020   1.046  -1.877
  204    HB2  MET  29           HB2      MET  29   3.841   1.102  -0.788
  205    HB3  MET  29           HB1      MET  29   2.428   0.781   0.195
  206    HG2  MET  29           HG2      MET  29   2.990  -0.923  -2.199
  207    HG3  MET  29           HG1      MET  29   3.894  -1.181  -0.720
  208    HE1  MET  29           HE1      MET  29  -0.688  -1.854  -1.063
  209    HE2  MET  29           HE2      MET  29   0.288  -1.185  -2.379
  210    HE3  MET  29          3HE       MET  29  -0.056  -0.227  -0.929
  211    H    GLY  30           H        GLY  30   3.357   3.563  -2.249
  212    HA2  GLY  30           HA2      GLY  30   2.571   5.206  -0.114
  213    HA3  GLY  30           HA1      GLY  30   3.420   5.737  -1.552
  214    H    TYR  31           H        TYR  31   1.220   4.791  -3.305
  215    HA   TYR  31           HA       TYR  31  -0.529   6.971  -2.610
  216    HB2  TYR  31           HB2      TYR  31  -1.330   7.031  -4.973
  217    HB3  TYR  31           HB1      TYR  31   0.349   7.460  -4.658
  218    HD1  TYR  31           HD1      TYR  31   2.144   6.215  -5.631
  219    HD2  TYR  31           HD2      TYR  31  -1.884   4.980  -6.145
  220    HE1  TYR  31           HE1      TYR  31   2.843   4.762  -7.411
  221    HE2  TYR  31           HE2      TYR  31  -1.201   3.494  -7.934
  222    HH   TYR  31           HH       TYR  31   2.107   2.786  -8.600
  223    H    TYR  32           H        TYR  32  -0.706   3.673  -3.420
  224    HA   TYR  32           HA       TYR  32  -3.558   3.648  -3.217
  225    HB2  TYR  32           HB2      TYR  32  -1.585   1.425  -3.441
  226    HB3  TYR  32           HB1      TYR  32  -3.237   1.071  -2.955
  227    HD1  TYR  32           HD1      TYR  32  -1.144   1.213  -5.691
  228    HD2  TYR  32           HD2      TYR  32  -5.025   2.384  -4.460
  229    HE1  TYR  32           HE1      TYR  32  -1.871   1.262  -8.044
  230    HE2  TYR  32           HE2      TYR  32  -5.770   2.440  -6.766
  231    HH   TYR  32           HH       TYR  32  -3.963   1.102  -9.315
  232    H    CYS  33           H        CYS  33  -1.049   2.696  -0.870
  233    HA   CYS  33           HA       CYS  33  -3.159   2.890   1.135
  234    HB2  CYS  33           HB2      CYS  33  -1.154   0.624   1.077
  235    HB3  CYS  33           HB1      CYS  33  -2.461   0.864   2.233
  236    HA   PRO  34           HA       PRO  34   0.828   5.188   2.029
  237    HB2  PRO  34           HB2      PRO  34  -0.345   7.510   2.825
  238    HB3  PRO  34           HB1      PRO  34   0.055   7.154   1.140
  239    HG2  PRO  34           HG2      PRO  34  -2.554   6.817   2.568
  240    HG3  PRO  34           HG1      PRO  34  -2.255   7.565   0.997
  241    HD2  PRO  34           HD2      PRO  34  -3.152   5.090   1.162
  242    HD3  PRO  34           HD1      PRO  34  -1.928   5.514  -0.054
  243    H    VAL  35           H        VAL  35  -2.130   4.663   3.757
  244    HA   VAL  35           HA       VAL  35  -0.938   5.515   6.228
  245    HB   VAL  35           HB       VAL  35  -3.695   4.385   5.737
  246   HG11  VAL  35          HG11      VAL  35  -4.207   5.243   7.983
  247   HG12  VAL  35          HG12      VAL  35  -2.517   5.729   8.168
  248   HG13  VAL  35          3HG1      VAL  35  -2.931   4.021   8.038
  249   HG21  VAL  35          HG21      VAL  35  -4.413   6.721   5.940
  250   HG22  VAL  35          HG22      VAL  35  -3.234   6.501   4.626
  251   HG23  VAL  35          HG23      VAL  35  -2.721   7.200   6.150
  252    H    THR  36           H        THR  36  -2.211   2.554   4.814
  253    HA   THR  36           HA       THR  36  -1.726   0.770   6.882
  254    HB   THR  36           HB       THR  36  -1.478   0.194   3.923
  255    HG1  THR  36           HG1      THR  36  -3.442   1.182   4.294
  256   HG21  THR  36          HG21      THR  36  -0.749  -1.662   5.371
  257   HG22  THR  36          HG22      THR  36  -2.256  -2.061   4.550
  258   HG23  THR  36          HG23      THR  36  -2.277  -1.581   6.246
  259    H    CYS  37           H        CYS  37   0.486   1.845   4.351
  260    HA   CYS  37           HA       CYS  37   2.610   0.232   5.429
  261    HB2  CYS  37           HB2      CYS  37   2.473   2.076   3.081
  262    HB3  CYS  37           HB1      CYS  37   3.937   1.196   3.534
  263    H    GLY  38           H        GLY  38   1.395   3.005   6.504
  264    HA2  GLY  38           HA2      GLY  38   2.161   4.403   8.106
  265    HA3  GLY  38           HA1      GLY  38   3.653   3.487   8.135
  266    H    PHE  39           H        PHE  39   2.380   5.243   5.348
  267    HA   PHE  39           HA       PHE  39   4.755   6.936   5.336
  268    HB2  PHE  39           HB2      PHE  39   2.360   6.867   3.477
  269    HB3  PHE  39           HB1      PHE  39   3.761   7.898   3.262
  270    HD1  PHE  39           HD1      PHE  39   5.908   6.932   2.612
  271    HD2  PHE  39           HD2      PHE  39   2.388   4.593   2.906
  272    HE1  PHE  39           HE1      PHE  39   6.982   5.189   1.246
  273    HE2  PHE  39           HE2      PHE  39   3.461   2.823   1.514
  274    HZ   PHE  39           HZ       PHE  39   5.752   3.131   0.700
  275    HA   CYS  40           HA       CYS  40   1.507   9.776   6.833
  276    HB2  CYS  40           HB2      CYS  40  -0.851   8.313   5.623
  277    HB3  CYS  40           HB1      CYS  40  -0.868   9.964   6.229
  278    HN1  NH2  41           H1       CYS  40   1.990   9.117   8.927
  279    HN2  NH2  41           H2       CYS  40   0.882   8.218   9.905
  Start of MODEL    7
    1    H1   GLU   1           HT1      GLU   1  -6.880  16.544   0.327
    2    H2   GLU   1           HT2      GLU   1  -6.474  18.178   0.343
    3    H3   GLU   1           HT3      GLU   1  -6.980  17.429   1.758
    4    HA   GLU   1           HA       GLU   1  -4.503  16.886   0.233
    5    HB2  GLU   1           HB2      GLU   1  -4.483  19.005   1.576
    6    HB3  GLU   1           HB1      GLU   1  -4.880  18.010   2.983
    7    HG2  GLU   1           HG2      GLU   1  -2.517  18.580   2.933
    8    HG3  GLU   1           HG1      GLU   1  -2.814  16.844   2.836
    9    H    HIS   2           H        HIS   2  -6.570  16.067   3.018
   10    HA   HIS   2           HA       HIS   2  -4.968  14.314   4.366
   11    HB2  HIS   2           HB2      HIS   2  -7.090  15.108   5.233
   12    HB3  HIS   2           HB1      HIS   2  -7.961  14.266   3.965
   13    HD1  HIS   2           HD1      HIS   2  -9.095  12.265   4.873
   14    HD2  HIS   2           HD2      HIS   2  -5.507  13.014   6.823
   15    HE1  HIS   2           HE1      HIS   2  -8.860  10.473   6.614
   16    H    CYS   3           H        CYS   3  -3.895  12.762   3.611
   17    HA   CYS   3           HA       CYS   3  -4.643  11.206   1.357
   18    HB2  CYS   3           HB2      CYS   3  -2.562   9.873   1.935
   19    HB3  CYS   3           HB1      CYS   3  -2.305  11.594   1.663
   20    H    ALA   4           H        ALA   4  -5.499   9.188   1.238
   21    HA   ALA   4           HA       ALA   4  -5.962   7.694   3.681
   22    HB1  ALA   4           HB1      ALA   4  -7.953   9.097   3.402
   23    HB2  ALA   4           HB2      ALA   4  -8.323   7.393   3.130
   24    HB3  ALA   4           HB3      ALA   4  -8.146   8.488   1.758
   25    H    ASP   5           H        ASP   5  -6.122   5.548   3.334
   26    HA   ASP   5           HA       ASP   5  -4.893   4.343   1.128
   27    HB2  ASP   5           HB2      ASP   5  -6.868   3.038   3.000
   28    HB3  ASP   5           HB1      ASP   5  -5.648   2.226   2.031
   29    H    GLU   6           H        GLU   6  -5.596   3.329  -0.708
   30    HA   GLU   6           HA       GLU   6  -8.042   4.113  -1.860
   31    HB2  GLU   6           HB2      GLU   6  -6.024   3.763  -3.209
   32    HB3  GLU   6           HB1      GLU   6  -5.954   2.086  -2.711
   33    HG2  GLU   6           HG2      GLU   6  -6.762   2.391  -4.971
   34    HG3  GLU   6           HG1      GLU   6  -7.938   1.587  -3.929
   35    H    LYS   7           H        LYS   7  -9.891   3.024  -2.097
   36    HA   LYS   7           HA       LYS   7 -10.340   0.738  -0.357
   37    HB2  LYS   7           HB2      LYS   7 -12.706   1.099  -0.772
   38    HB3  LYS   7           HB1      LYS   7 -11.913   2.571  -0.250
   39    HG2  LYS   7           HG2      LYS   7 -11.855   3.361  -2.545
   40    HG3  LYS   7           HG1      LYS   7 -12.666   1.887  -3.080
   41    HD2  LYS   7           HD2      LYS   7 -14.356   3.563  -2.867
   42    HD3  LYS   7           HD1      LYS   7 -14.487   2.427  -1.512
   43    HE2  LYS   7           HE2      LYS   7 -14.784   4.731  -0.743
   44    HE3  LYS   7           HE1      LYS   7 -13.344   4.012  -0.038
   45    HZ1  LYS   7           HZ1      LYS   7 -13.402   5.897  -2.339
   46    HZ2  LYS   7           HZ2      LYS   7 -12.012   5.228  -1.704
   47    HZ3  LYS   7           HZ3      LYS   7 -12.944   6.266  -0.769
   48    H    ASN   8           H        ASN   8  -9.851   1.399  -3.593
   49    HA   ASN   8           HA       ASN   8 -11.088  -1.036  -4.635
   50    HB2  ASN   8           HB2      ASN   8  -9.381   1.039  -6.039
   51    HB3  ASN   8           HB1      ASN   8 -10.206  -0.290  -6.834
   52   HD21  ASN   8          HD21      ASN   8 -12.639   0.022  -5.126
   53   HD22  ASN   8          HD22      ASN   8 -13.414   1.424  -5.717
   54    H    PHE   9           H        PHE   9  -8.729  -0.875  -2.758
   55    HA   PHE   9           HA       PHE   9  -6.996  -2.865  -4.020
   56    HB2  PHE   9           HB2      PHE   9  -6.148  -0.448  -4.254
   57    HB3  PHE   9           HB1      PHE   9  -6.012  -0.463  -2.501
   58    HD1  PHE   9           HD1      PHE   9  -4.077  -1.230  -1.528
   59    HD2  PHE   9           HD2      PHE   9  -5.030  -2.331  -5.502
   60    HE1  PHE   9           HE1      PHE   9  -1.872  -2.260  -1.758
   61    HE2  PHE   9           HE2      PHE   9  -2.884  -3.360  -5.765
   62    HZ   PHE   9           HZ       PHE   9  -1.235  -3.311  -3.872
   63    H    ASP  10           H        ASP  10  -6.359  -4.333  -2.328
   64    HA   ASP  10           HA       ASP  10  -7.537  -3.629   0.236
   65    HB2  ASP  10           HB2      ASP  10  -8.235  -5.837  -0.714
   66    HB3  ASP  10           HB1      ASP  10  -6.567  -6.389  -0.511
   67    H    CYS  11           H        CYS  11  -6.293  -2.579   1.384
   68    HA   CYS  11           HA       CYS  11  -3.516  -2.559   1.208
   69    HB2  CYS  11           HB2      CYS  11  -5.328  -1.457   3.349
   70    HB3  CYS  11           HB1      CYS  11  -3.648  -1.009   3.069
   71    H    ARG  12           H        ARG  12  -5.694  -4.366   3.311
   72    HA   ARG  12           HA       ARG  12  -3.770  -5.076   5.291
   73    HB2  ARG  12           HB2      ARG  12  -6.195  -6.636   4.399
   74    HB3  ARG  12           HB1      ARG  12  -5.289  -6.899   5.877
   75    HG2  ARG  12           HG2      ARG  12  -6.795  -4.394   5.211
   76    HG3  ARG  12           HG1      ARG  12  -7.421  -5.712   6.203
   77    HD2  ARG  12           HD2      ARG  12  -5.667  -5.303   7.830
   78    HD3  ARG  12           HD1      ARG  12  -4.981  -4.042   6.798
   79    HE   ARG  12           HE       ARG  12  -7.625  -3.426   7.156
   80   HH11  ARG  12          HH11      ARG  12  -4.813  -3.739   9.291
   81   HH12  ARG  12          HH12      ARG  12  -5.323  -2.533  10.363
   82   HH21  ARG  12          HH21      ARG  12  -8.318  -1.782   8.635
   83   HH22  ARG  12          HH22      ARG  12  -7.360  -1.403   9.996
   84    H    ARG  13           H        ARG  13  -5.030  -6.735   2.452
   85    HA   ARG  13           HA       ARG  13  -3.656  -9.106   2.522
   86    HB2  ARG  13           HB2      ARG  13  -5.511  -8.506   1.039
   87    HB3  ARG  13           HB1      ARG  13  -4.429  -7.474   0.127
   88    HG2  ARG  13           HG2      ARG  13  -3.169  -9.365  -0.625
   89    HG3  ARG  13           HG1      ARG  13  -4.097 -10.445   0.425
   90    HD2  ARG  13           HD2      ARG  13  -5.151  -8.826  -1.881
   91    HD3  ARG  13           HD1      ARG  13  -4.970 -10.585  -1.818
   92    HE   ARG  13           HE       ARG  13  -6.520 -10.078   0.306
   93   HH11  ARG  13          HH11      ARG  13  -6.838  -9.193  -3.087
   94   HH12  ARG  13          HH12      ARG  13  -8.537  -9.130  -3.061
   95   HH21  ARG  13          HH21      ARG  13  -8.841  -9.875   0.373
   96   HH22  ARG  13          HH22      ARG  13  -9.692  -9.465  -1.045
   97    H    SER  14           H        SER  14  -2.711  -6.191   0.678
   98    HA   SER  14           HA       SER  14  -0.312  -7.237  -0.259
   99    HB2  SER  14           HB2      SER  14  -1.062  -4.357   0.227
  100    HB3  SER  14           HB1      SER  14   0.188  -4.939  -0.877
  101    HG   SER  14           HG       SER  14  -1.271  -5.242  -2.278
  102    H    LEU  15           H        LEU  15  -1.056  -5.543   2.738
  103    HA   LEU  15           HA       LEU  15   1.636  -5.092   3.546
  104    HB2  LEU  15           HB2      LEU  15  -0.582  -4.012   4.401
  105    HB3  LEU  15           HB1      LEU  15  -0.728  -5.426   5.407
  106    HG   LEU  15           HG       LEU  15   0.098  -3.485   6.654
  107   HD11  LEU  15          HD11      LEU  15   2.064  -4.434   7.721
  108   HD12  LEU  15          HD12      LEU  15   2.208  -5.603   6.408
  109   HD13  LEU  15          HD13      LEU  15   0.799  -5.637   7.469
  110   HD21  LEU  15          HD21      LEU  15   2.306  -2.545   6.237
  111   HD22  LEU  15          HD22      LEU  15   1.232  -2.316   4.857
  112   HD23  LEU  15          HD23      LEU  15   2.477  -3.564   4.811
  113    H    ARG  16           H        ARG  16  -0.748  -7.630   4.099
  114    HA   ARG  16           HA       ARG  16   0.733  -9.265   5.850
  115    HB2  ARG  16           HB2      ARG  16  -1.512  -9.894   3.943
  116    HB3  ARG  16           HB1      ARG  16  -0.809 -11.096   5.008
  117    HG2  ARG  16           HG2      ARG  16  -1.545  -9.875   6.949
  118    HG3  ARG  16           HG1      ARG  16  -2.109  -8.542   5.935
  119    HD2  ARG  16           HD2      ARG  16  -3.940 -10.038   6.682
  120    HD3  ARG  16           HD1      ARG  16  -3.783  -9.951   4.929
  121    HE   ARG  16           HE       ARG  16  -2.357 -12.142   6.134
  122   HH11  ARG  16          HH11      ARG  16  -5.517 -11.156   4.885
  123   HH12  ARG  16          HH12      ARG  16  -5.993 -12.727   4.441
  124   HH21  ARG  16          HH21      ARG  16  -3.005 -14.274   5.536
  125   HH22  ARG  16          HH22      ARG  16  -4.535 -14.543   4.794
  126    H    ASN  17           H        ASN  17   0.378  -9.348   2.318
  127    HA   ASN  17           HA       ASN  17   1.868 -11.678   1.769
  128    HB2  ASN  17           HB2      ASN  17   1.697  -9.201   0.054
  129    HB3  ASN  17           HB1      ASN  17   2.195 -10.794  -0.475
  130   HD21  ASN  17          HD21      ASN  17   0.149  -9.034  -1.349
  131   HD22  ASN  17          HD22      ASN  17  -1.344  -9.918  -1.313
  132    H    GLY  18           H        GLY  18   2.807  -8.409   2.319
  133    HA2  GLY  18           HA2      GLY  18   5.020  -7.891   3.174
  134    HA3  GLY  18           HA1      GLY  18   5.615  -9.275   2.266
  135    H    ASP  19           H        ASP  19   3.291  -7.355   0.703
  136    HA   ASP  19           HA       ASP  19   5.077  -6.776  -1.433
  137    HB2  ASP  19           HB2      ASP  19   2.255  -5.805  -0.930
  138    HB3  ASP  19           HB1      ASP  19   3.180  -5.425  -2.373
  139    H    CYS  20           H        CYS  20   4.020  -5.058   1.382
  140    HA   CYS  20           HA       CYS  20   4.985  -2.532   0.334
  141    HB2  CYS  20           HB2      CYS  20   2.968  -2.690   1.876
  142    HB3  CYS  20           HB1      CYS  20   4.079  -3.131   3.162
  143    H    ASP  21           H        ASP  21   6.345  -5.233   1.626
  144    HA   ASP  21           HA       ASP  21   8.591  -3.745   2.762
  145    HB2  ASP  21           HB2      ASP  21   7.793  -5.664   4.063
  146    HB3  ASP  21           HB1      ASP  21   7.981  -6.714   2.667
  147    H    ASN  22           H        ASN  22   7.475  -4.998  -0.097
  148    HA   ASN  22           HA       ASN  22  10.063  -5.655  -1.207
  149    HB2  ASN  22           HB2      ASN  22   8.202  -7.089  -1.848
  150    HB3  ASN  22           HB1      ASN  22   7.297  -5.701  -2.428
  151   HD21  ASN  22          HD21      ASN  22   7.126  -6.731  -4.440
  152   HD22  ASN  22          HD22      ASN  22   8.442  -6.776  -5.554
  153    H    ASP  23           H        ASP  23  11.275  -4.241  -2.205
  154    HA   ASP  23           HA       ASP  23  10.697  -1.514  -2.306
  155    HB2  ASP  23           HB2      ASP  23  12.985  -2.319  -2.242
  156    HB3  ASP  23           HB1      ASP  23  12.809  -3.033  -3.838
  157    H    ASP  24           H        ASP  24  10.379  -3.970  -4.754
  158    HA   ASP  24           HA       ASP  24   9.869  -2.326  -6.983
  159    HB2  ASP  24           HB2      ASP  24  10.397  -4.687  -7.259
  160    HB3  ASP  24           HB1      ASP  24   8.923  -5.143  -6.416
  161    H    LYS  25           H        LYS  25   7.843  -3.185  -4.299
  162    HA   LYS  25           HA       LYS  25   5.526  -2.100  -5.697
  163    HB2  LYS  25           HB2      LYS  25   5.671  -4.095  -3.448
  164    HB3  LYS  25           HB1      LYS  25   4.182  -3.335  -3.989
  165    HG2  LYS  25           HG2      LYS  25   5.971  -5.146  -5.586
  166    HG3  LYS  25           HG1      LYS  25   4.340  -5.491  -4.989
  167    HD2  LYS  25           HD2      LYS  25   3.637  -3.423  -6.283
  168    HD3  LYS  25           HD1      LYS  25   5.197  -3.527  -7.066
  169    HE2  LYS  25           HE2      LYS  25   4.732  -5.717  -7.914
  170    HE3  LYS  25           HE1      LYS  25   3.185  -5.752  -7.059
  171    HZ1  LYS  25           HZ1      LYS  25   2.859  -5.166  -9.373
  172    HZ2  LYS  25           HZ2      LYS  25   3.948  -3.892  -9.234
  173    HZ3  LYS  25           HZ3      LYS  25   2.486  -3.827  -8.397
  174    H    LEU  26           H        LEU  26   7.759  -0.913  -3.831
  175    HA   LEU  26           HA       LEU  26   6.376   0.094  -1.620
  176    HB2  LEU  26           HB2      LEU  26   8.858   1.057  -2.988
  177    HB3  LEU  26           HB1      LEU  26   8.167   1.898  -1.615
  178    HG   LEU  26           HG       LEU  26   9.040  -0.978  -1.565
  179   HD11  LEU  26          HD11      LEU  26  10.404   1.514  -0.521
  180   HD12  LEU  26          HD12      LEU  26  10.954   0.537  -1.878
  181   HD13  LEU  26          HD13      LEU  26  10.952  -0.139  -0.248
  182   HD21  LEU  26          HD21      LEU  26   8.210   0.930   0.614
  183   HD22  LEU  26          HD22      LEU  26   8.869  -0.684   0.868
  184   HD23  LEU  26          HD23      LEU  26   7.317  -0.488   0.060
  185    H    LEU  27           H        LEU  27   6.828   1.561  -4.833
  186    HA   LEU  27           HA       LEU  27   5.548   3.992  -4.065
  187    HB2  LEU  27           HB2      LEU  27   5.780   2.832  -6.862
  188    HB3  LEU  27           HB1      LEU  27   5.182   4.421  -6.481
  189    HG   LEU  27           HG       LEU  27   7.369   4.656  -7.326
  190   HD11  LEU  27          HD11      LEU  27   8.558   5.733  -5.497
  191   HD12  LEU  27          HD12      LEU  27   7.455   4.982  -4.345
  192   HD13  LEU  27          HD13      LEU  27   6.844   6.144  -5.521
  193   HD21  LEU  27          HD21      LEU  27   9.315   3.543  -6.361
  194   HD22  LEU  27          HD22      LEU  27   8.088   2.397  -6.965
  195   HD23  LEU  27          HD23      LEU  27   8.222   2.710  -5.236
  196    H    GLU  28           H        GLU  28   4.549   1.024  -5.498
  197    HA   GLU  28           HA       GLU  28   1.893   1.637  -6.067
  198    HB2  GLU  28           HB2      GLU  28   3.069  -0.386  -6.864
  199    HB3  GLU  28           HB1      GLU  28   3.077  -1.013  -5.226
  200    HG2  GLU  28           HG2      GLU  28   0.656  -1.111  -5.234
  201    HG3  GLU  28           HG1      GLU  28   0.622  -0.445  -6.869
  202    H    MET  29           H        MET  29   3.488   0.647  -3.109
  203    HA   MET  29           HA       MET  29   0.994   0.282  -1.762
  204    HB2  MET  29           HB2      MET  29   3.853   0.079  -0.941
  205    HB3  MET  29           HB1      MET  29   2.567   0.026   0.272
  206    HG2  MET  29           HG2      MET  29   3.069  -1.847  -2.025
  207    HG3  MET  29           HG1      MET  29   3.168  -2.202  -0.305
  208    HE1  MET  29           HE1      MET  29   0.523  -0.524   0.636
  209    HE2  MET  29           HE2      MET  29   0.962  -2.084   1.338
  210    HE3  MET  29          3HE       MET  29  -0.670  -1.821   0.714
  211    H    GLY  30           H        GLY  30   3.285   2.717  -2.207
  212    HA2  GLY  30           HA2      GLY  30   2.404   4.388  -0.057
  213    HA3  GLY  30           HA1      GLY  30   3.426   4.885  -1.398
  214    H    TYR  31           H        TYR  31   1.799   4.316  -3.561
  215    HA   TYR  31           HA       TYR  31  -0.003   6.478  -3.205
  216    HB2  TYR  31           HB2      TYR  31  -0.528   6.426  -5.536
  217    HB3  TYR  31           HB1      TYR  31   1.216   6.467  -5.224
  218    HD1  TYR  31           HD1      TYR  31   2.645   4.867  -6.423
  219    HD2  TYR  31           HD2      TYR  31  -1.589   4.324  -6.221
  220    HE1  TYR  31           HE1      TYR  31   2.788   3.148  -8.075
  221    HE2  TYR  31           HE2      TYR  31  -1.441   2.582  -7.849
  222    HH   TYR  31           HH       TYR  31   0.028   1.862  -9.651
  223    H    TYR  32           H        TYR  32  -0.381   3.145  -3.462
  224    HA   TYR  32           HA       TYR  32  -3.219   3.419  -3.502
  225    HB2  TYR  32           HB2      TYR  32  -1.544   0.925  -3.230
  226    HB3  TYR  32           HB1      TYR  32  -3.251   0.874  -2.867
  227    HD1  TYR  32           HD1      TYR  32  -4.585   2.378  -4.793
  228    HD2  TYR  32           HD2      TYR  32  -1.080   0.048  -5.279
  229    HE1  TYR  32           HE1      TYR  32  -5.132   2.094  -7.139
  230    HE2  TYR  32           HE2      TYR  32  -1.600  -0.247  -7.663
  231    HH   TYR  32           HH       TYR  32  -3.580  -0.184  -9.089
  232    H    CYS  33           H        CYS  33  -0.988   2.414  -0.874
  233    HA   CYS  33           HA       CYS  33  -3.201   3.062   0.932
  234    HB2  CYS  33           HB2      CYS  33  -1.359   0.696   1.224
  235    HB3  CYS  33           HB1      CYS  33  -2.695   1.141   2.285
  236    HA   PRO  34           HA       PRO  34   0.749   5.335   1.937
  237    HB2  PRO  34           HB2      PRO  34  -0.436   7.712   2.533
  238    HB3  PRO  34           HB1      PRO  34   0.034   7.246   0.894
  239    HG2  PRO  34           HG2      PRO  34  -2.645   7.040   2.219
  240    HG3  PRO  34           HG1      PRO  34  -2.255   7.665   0.611
  241    HD2  PRO  34           HD2      PRO  34  -3.200   5.209   0.929
  242    HD3  PRO  34           HD1      PRO  34  -1.937   5.539  -0.274
  243    H    VAL  35           H        VAL  35  -2.293   4.974   3.554
  244    HA   VAL  35           HA       VAL  35  -1.199   5.953   6.011
  245    HB   VAL  35           HB       VAL  35  -3.967   4.841   5.559
  246   HG11  VAL  35          HG11      VAL  35  -4.506   6.060   7.635
  247   HG12  VAL  35          HG12      VAL  35  -2.807   6.514   7.789
  248   HG13  VAL  35          3HG1      VAL  35  -3.277   4.821   7.908
  249   HG21  VAL  35          HG21      VAL  35  -3.546   6.744   4.143
  250   HG22  VAL  35          HG22      VAL  35  -2.909   7.654   5.501
  251   HG23  VAL  35          HG23      VAL  35  -4.629   7.230   5.456
  252    H    THR  36           H        THR  36  -2.322   2.942   4.636
  253    HA   THR  36           HA       THR  36  -2.130   1.247   6.829
  254    HB   THR  36           HB       THR  36  -1.559   0.573   3.943
  255    HG1  THR  36           HG1      THR  36  -3.580   1.568   4.234
  256   HG21  THR  36          HG21      THR  36  -2.525  -1.191   6.210
  257   HG22  THR  36          HG22      THR  36  -0.902  -1.217   5.530
  258   HG23  THR  36          HG23      THR  36  -2.275  -1.702   4.540
  259    H    CYS  37           H        CYS  37   0.426   2.103   4.494
  260    HA   CYS  37           HA       CYS  37   2.286   0.498   6.023
  261    HB2  CYS  37           HB2      CYS  37   2.669   2.201   3.594
  262    HB3  CYS  37           HB1      CYS  37   3.959   1.282   4.359
  263    H    GLY  38           H        GLY  38   0.991   3.304   6.709
  264    HA2  GLY  38           HA2      GLY  38   1.548   4.963   8.154
  265    HA3  GLY  38           HA1      GLY  38   2.939   3.989   8.589
  266    H    PHE  39           H        PHE  39   2.137   5.541   5.490
  267    HA   PHE  39           HA       PHE  39   4.713   6.892   5.525
  268    HB2  PHE  39           HB2      PHE  39   2.437   6.990   3.521
  269    HB3  PHE  39           HB1      PHE  39   3.961   7.837   3.332
  270    HD1  PHE  39           HD1      PHE  39   6.039   6.527   3.016
  271    HD2  PHE  39           HD2      PHE  39   2.196   4.749   2.954
  272    HE1  PHE  39           HE1      PHE  39   6.974   4.600   1.813
  273    HE2  PHE  39           HE2      PHE  39   3.121   2.799   1.728
  274    HZ   PHE  39           HZ       PHE  39   5.511   2.729   1.169
  275    HA   CYS  40           HA       CYS  40   1.839  10.001   6.971
  276    HB2  CYS  40           HB2      CYS  40   0.224  11.331   5.607
  277    HB3  CYS  40           HB1      CYS  40   1.682  10.897   4.726
  278    HN1  NH2  41           H1       CYS  40   1.064   8.968   8.724
  279    HN2  NH2  41           H2       CYS  40  -0.584   8.470   8.906
  Start of MODEL    8
    1    H1   GLU   1           HT1      GLU   1  -2.606  18.771   1.634
    2    H2   GLU   1           HT2      GLU   1  -1.950  17.668   2.745
    3    H3   GLU   1           HT3      GLU   1  -3.461  18.305   3.003
    4    HA   GLU   1           HA       GLU   1  -4.368  17.167   1.137
    5    HB2  GLU   1           HB2      GLU   1  -2.233  17.198  -0.203
    6    HB3  GLU   1           HB1      GLU   1  -1.594  16.002   0.920
    7    HG2  GLU   1           HG2      GLU   1  -3.234  14.388   0.215
    8    HG3  GLU   1           HG1      GLU   1  -3.966  15.571  -0.868
    9    H    HIS   2           H        HIS   2  -5.419  15.289   1.747
   10    HA   HIS   2           HA       HIS   2  -4.282  13.837   4.028
   11    HB2  HIS   2           HB2      HIS   2  -7.144  14.110   3.103
   12    HB3  HIS   2           HB1      HIS   2  -6.642  12.847   4.212
   13    HD1  HIS   2           HD1      HIS   2  -5.980  13.615   6.657
   14    HD2  HIS   2           HD2      HIS   2  -7.390  16.630   4.165
   15    HE1  HIS   2           HE1      HIS   2  -6.590  15.527   8.159
   16    H    CYS   3           H        CYS   3  -3.533  11.898   3.687
   17    HA   CYS   3           HA       CYS   3  -3.911  10.645   1.129
   18    HB2  CYS   3           HB2      CYS   3  -2.325   8.971   2.043
   19    HB3  CYS   3           HB1      CYS   3  -1.708  10.619   2.063
   20    H    ALA   4           H        ALA   4  -4.799   8.518   0.848
   21    HA   ALA   4           HA       ALA   4  -6.096   7.268   3.113
   22    HB1  ALA   4           HB1      ALA   4  -8.254   7.131   1.954
   23    HB2  ALA   4           HB2      ALA   4  -7.614   8.118   0.642
   24    HB3  ALA   4           HB3      ALA   4  -7.802   8.810   2.253
   25    H    ASP   5           H        ASP   5  -6.028   5.118   2.905
   26    HA   ASP   5           HA       ASP   5  -4.716   3.808   0.737
   27    HB2  ASP   5           HB2      ASP   5  -6.687   2.499   2.622
   28    HB3  ASP   5           HB1      ASP   5  -5.426   1.708   1.703
   29    H    GLU   6           H        GLU   6  -5.559   2.530  -0.908
   30    HA   GLU   6           HA       GLU   6  -7.939   3.476  -2.092
   31    HB2  GLU   6           HB2      GLU   6  -6.011   2.791  -3.428
   32    HB3  GLU   6           HB1      GLU   6  -6.079   1.174  -2.765
   33    HG2  GLU   6           HG2      GLU   6  -6.924   1.362  -5.046
   34    HG3  GLU   6           HG1      GLU   6  -8.116   0.729  -3.908
   35    H    LYS   7           H        LYS   7  -9.936   2.640  -2.028
   36    HA   LYS   7           HA       LYS   7 -10.414   0.585  -0.040
   37    HB2  LYS   7           HB2      LYS   7 -12.737   1.194  -0.124
   38    HB3  LYS   7           HB1      LYS   7 -11.762   2.646   0.007
   39    HG2  LYS   7           HG2      LYS   7 -12.066   3.068  -2.379
   40    HG3  LYS   7           HG1      LYS   7 -13.024   1.593  -2.517
   41    HD2  LYS   7           HD2      LYS   7 -14.612   3.337  -2.315
   42    HD3  LYS   7           HD1      LYS   7 -14.493   2.549  -0.737
   43    HE2  LYS   7           HE2      LYS   7 -14.580   4.956  -0.474
   44    HE3  LYS   7           HE1      LYS   7 -13.022   4.333   0.055
   45    HZ1  LYS   7           HZ1      LYS   7 -13.585   5.600  -2.567
   46    HZ2  LYS   7           HZ2      LYS   7 -12.089   5.022  -2.092
   47    HZ3  LYS   7           HZ3      LYS   7 -12.766   6.337  -1.300
   48    H    ASN   8           H        ASN   8 -10.255   0.908  -3.365
   49    HA   ASN   8           HA       ASN   8 -11.838  -1.454  -4.011
   50    HB2  ASN   8           HB2      ASN   8 -10.008   0.244  -5.737
   51    HB3  ASN   8           HB1      ASN   8 -10.964  -1.099  -6.335
   52   HD21  ASN   8          HD21      ASN   8 -10.962   1.689  -7.069
   53   HD22  ASN   8          HD22      ASN   8 -12.573   2.267  -6.876
   54    H    PHE   9           H        PHE   9  -9.064  -1.135  -2.517
   55    HA   PHE   9           HA       PHE   9  -7.656  -3.427  -3.764
   56    HB2  PHE   9           HB2      PHE   9  -6.690  -1.144  -4.229
   57    HB3  PHE   9           HB1      PHE   9  -6.487  -0.962  -2.493
   58    HD1  PHE   9           HD1      PHE   9  -5.766  -3.436  -5.132
   59    HD2  PHE   9           HD2      PHE   9  -4.423  -1.388  -1.678
   60    HE1  PHE   9           HE1      PHE   9  -3.647  -4.530  -5.345
   61    HE2  PHE   9           HE2      PHE   9  -2.248  -2.478  -1.865
   62    HZ   PHE   9           HZ       PHE   9  -1.817  -4.039  -3.687
   63    H    ASP  10           H        ASP  10  -6.559  -4.739  -2.108
   64    HA   ASP  10           HA       ASP  10  -7.643  -4.128   0.536
   65    HB2  ASP  10           HB2      ASP  10  -8.168  -6.416  -0.489
   66    HB3  ASP  10           HB1      ASP  10  -6.474  -6.799  -0.170
   67    H    CYS  11           H        CYS  11  -6.319  -2.924   1.510
   68    HA   CYS  11           HA       CYS  11  -3.521  -3.079   1.172
   69    HB2  CYS  11           HB2      CYS  11  -5.245  -1.534   3.079
   70    HB3  CYS  11           HB1      CYS  11  -3.491  -1.371   2.986
   71    H    ARG  12           H        ARG  12  -5.717  -4.589   3.326
   72    HA   ARG  12           HA       ARG  12  -3.844  -5.049   5.426
   73    HB2  ARG  12           HB2      ARG  12  -6.386  -6.542   4.786
   74    HB3  ARG  12           HB1      ARG  12  -5.482  -6.659   6.288
   75    HG2  ARG  12           HG2      ARG  12  -6.996  -4.283   5.235
   76    HG3  ARG  12           HG1      ARG  12  -7.373  -5.259   6.655
   77    HD2  ARG  12           HD2      ARG  12  -5.003  -3.437   6.267
   78    HD3  ARG  12           HD1      ARG  12  -6.364  -3.180   7.352
   79    HE   ARG  12           HE       ARG  12  -5.315  -5.565   8.119
   80   HH11  ARG  12          HH11      ARG  12  -4.105  -2.248   7.852
   81   HH12  ARG  12          HH12      ARG  12  -2.893  -2.448   9.027
   82   HH21  ARG  12          HH21      ARG  12  -3.625  -5.855   9.726
   83   HH22  ARG  12          HH22      ARG  12  -2.632  -4.537  10.137
   84    H    ARG  13           H        ARG  13  -5.193  -7.119   2.905
   85    HA   ARG  13           HA       ARG  13  -3.529  -9.319   3.406
   86    HB2  ARG  13           HB2      ARG  13  -5.624  -9.442   2.147
   87    HB3  ARG  13           HB1      ARG  13  -4.938  -8.450   0.879
   88    HG2  ARG  13           HG2      ARG  13  -3.394 -10.213   0.288
   89    HG3  ARG  13           HG1      ARG  13  -3.971 -11.188   1.646
   90    HD2  ARG  13           HD2      ARG  13  -4.994 -11.871  -0.498
   91    HD3  ARG  13           HD1      ARG  13  -6.178 -11.309   0.683
   92    HE   ARG  13           HE       ARG  13  -5.151  -9.474  -1.347
   93   HH11  ARG  13          HH11      ARG  13  -7.899 -11.290  -0.036
   94   HH12  ARG  13          HH12      ARG  13  -9.079 -10.388  -0.861
   95   HH21  ARG  13          HH21      ARG  13  -6.787  -8.264  -2.530
   96   HH22  ARG  13          HH22      ARG  13  -8.428  -8.679  -2.331
   97    H    SER  14           H        SER  14  -3.128  -6.490   1.318
   98    HA   SER  14           HA       SER  14  -0.758  -7.323   0.049
   99    HB2  SER  14           HB2      SER  14  -1.708  -4.524   0.692
  100    HB3  SER  14           HB1      SER  14  -0.437  -4.922  -0.466
  101    HG   SER  14           HG       SER  14  -3.201  -5.262  -0.646
  102    H    LEU  15           H        LEU  15  -1.340  -5.830   3.161
  103    HA   LEU  15           HA       LEU  15   1.361  -5.255   3.777
  104    HB2  LEU  15           HB2      LEU  15  -0.584  -4.198   4.887
  105    HB3  LEU  15           HB1      LEU  15  -1.003  -5.740   5.594
  106    HG   LEU  15           HG       LEU  15   1.127  -5.698   6.866
  107   HD11  LEU  15          HD11      LEU  15   1.363  -2.910   5.744
  108   HD12  LEU  15          HD12      LEU  15   2.398  -4.287   5.375
  109   HD13  LEU  15          HD13      LEU  15   2.383  -3.612   7.006
  110   HD21  LEU  15          HD21      LEU  15  -0.663  -3.306   7.247
  111   HD22  LEU  15          HD22      LEU  15   0.419  -3.991   8.462
  112   HD23  LEU  15          HD23      LEU  15  -0.954  -4.931   7.869
  113    H    ARG  16           H        ARG  16  -0.809  -7.944   4.329
  114    HA   ARG  16           HA       ARG  16   0.942  -9.476   5.956
  115    HB2  ARG  16           HB2      ARG  16  -1.366 -10.435   4.268
  116    HB3  ARG  16           HB1      ARG  16  -0.623 -11.285   5.616
  117    HG2  ARG  16           HG2      ARG  16  -2.150  -8.688   5.790
  118    HG3  ARG  16           HG1      ARG  16  -2.754 -10.275   6.256
  119    HD2  ARG  16           HD2      ARG  16  -0.378  -8.889   7.497
  120    HD3  ARG  16           HD1      ARG  16  -2.001  -8.913   8.177
  121    HE   ARG  16           HE       ARG  16  -1.380 -11.510   7.746
  122   HH11  ARG  16          HH11      ARG  16   0.105  -8.871   9.612
  123   HH12  ARG  16          HH12      ARG  16   0.708  -9.867  10.839
  124   HH21  ARG  16          HH21      ARG  16  -0.560 -12.903   9.499
  125   HH22  ARG  16          HH22      ARG  16   0.314 -12.220  10.784
  126    H    ASN  17           H        ASN  17   0.398  -9.277   2.506
  127    HA   ASN  17           HA       ASN  17   1.864 -11.620   1.763
  128    HB2  ASN  17           HB2      ASN  17   1.309  -9.136   0.151
  129    HB3  ASN  17           HB1      ASN  17   2.036 -10.598  -0.479
  130   HD21  ASN  17          HD21      ASN  17  -0.241  -9.227  -1.282
  131   HD22  ASN  17          HD22      ASN  17  -1.588 -10.325  -1.191
  132    H    GLY  18           H        GLY  18   2.608  -8.278   2.150
  133    HA2  GLY  18           HA2      GLY  18   4.898  -7.717   2.885
  134    HA3  GLY  18           HA1      GLY  18   5.444  -8.940   1.754
  135    H    ASP  19           H        ASP  19   2.850  -7.310   0.464
  136    HA   ASP  19           HA       ASP  19   4.384  -6.180  -1.647
  137    HB2  ASP  19           HB2      ASP  19   1.487  -5.734  -0.880
  138    HB3  ASP  19           HB1      ASP  19   2.223  -5.108  -2.346
  139    H    CYS  20           H        CYS  20   2.907  -4.966   1.227
  140    HA   CYS  20           HA       CYS  20   3.327  -2.187   0.698
  141    HB2  CYS  20           HB2      CYS  20   1.505  -2.928   2.111
  142    HB3  CYS  20           HB1      CYS  20   2.615  -3.747   3.184
  143    H    ASP  21           H        ASP  21   5.331  -4.701   1.697
  144    HA   ASP  21           HA       ASP  21   7.287  -2.836   2.854
  145    HB2  ASP  21           HB2      ASP  21   6.689  -4.616   4.391
  146    HB3  ASP  21           HB1      ASP  21   6.990  -5.838   3.168
  147    H    ASN  22           H        ASN  22   6.530  -4.276   0.028
  148    HA   ASN  22           HA       ASN  22   9.140  -5.165  -0.803
  149    HB2  ASN  22           HB2      ASN  22   7.104  -6.234  -1.713
  150    HB3  ASN  22           HB1      ASN  22   6.613  -4.705  -2.419
  151   HD21  ASN  22          HD21      ASN  22   7.156  -7.313  -3.626
  152   HD22  ASN  22          HD22      ASN  22   8.354  -7.033  -4.840
  153    H    ASP  23           H        ASP  23  10.654  -3.907  -1.373
  154    HA   ASP  23           HA       ASP  23  10.530  -1.125  -1.329
  155    HB2  ASP  23           HB2      ASP  23  12.687  -2.805  -2.615
  156    HB3  ASP  23           HB1      ASP  23  12.835  -1.124  -2.131
  157    H    ASP  24           H        ASP  24  10.588  -3.315  -4.115
  158    HA   ASP  24           HA       ASP  24  10.813  -1.255  -6.054
  159    HB2  ASP  24           HB2      ASP  24  11.390  -3.590  -6.590
  160    HB3  ASP  24           HB1      ASP  24   9.704  -4.053  -6.395
  161    H    LYS  25           H        LYS  25   8.116  -2.667  -4.390
  162    HA   LYS  25           HA       LYS  25   6.233  -1.357  -6.178
  163    HB2  LYS  25           HB2      LYS  25   5.752  -3.160  -3.838
  164    HB3  LYS  25           HB1      LYS  25   4.536  -2.563  -4.961
  165    HG2  LYS  25           HG2      LYS  25   5.586  -3.730  -6.776
  166    HG3  LYS  25           HG1      LYS  25   6.877  -4.281  -5.705
  167    HD2  LYS  25           HD2      LYS  25   5.375  -6.062  -5.903
  168    HD3  LYS  25           HD1      LYS  25   5.173  -5.290  -4.318
  169    HE2  LYS  25           HE2      LYS  25   3.144  -4.235  -4.925
  170    HE3  LYS  25           HE1      LYS  25   3.388  -4.567  -6.638
  171    HZ1  LYS  25           HZ1      LYS  25   3.009  -6.892  -6.212
  172    HZ2  LYS  25           HZ2      LYS  25   1.706  -6.000  -5.669
  173    HZ3  LYS  25           HZ3      LYS  25   2.790  -6.638  -4.558
  174    H    LEU  26           H        LEU  26   7.888  -0.586  -3.460
  175    HA   LEU  26           HA       LEU  26   6.084   0.531  -1.715
  176    HB2  LEU  26           HB2      LEU  26   8.854   1.459  -2.322
  177    HB3  LEU  26           HB1      LEU  26   7.861   2.287  -1.139
  178    HG   LEU  26           HG       LEU  26   8.677  -0.611  -1.022
  179   HD11  LEU  26          HD11      LEU  26   9.596   1.783   0.570
  180   HD12  LEU  26          HD12      LEU  26  10.546   0.929  -0.643
  181   HD13  LEU  26          HD13      LEU  26  10.086   0.113   0.853
  182   HD21  LEU  26          HD21      LEU  26   6.530  -0.268   0.044
  183   HD22  LEU  26          HD22      LEU  26   7.164   1.116   0.929
  184   HD23  LEU  26          HD23      LEU  26   7.772  -0.503   1.273
  185    H    LEU  27           H        LEU  27   7.301   2.298  -4.582
  186    HA   LEU  27           HA       LEU  27   6.043   4.713  -4.047
  187    HB2  LEU  27           HB2      LEU  27   7.656   4.538  -5.777
  188    HB3  LEU  27           HB1      LEU  27   6.751   3.264  -6.573
  189    HG   LEU  27           HG       LEU  27   4.960   4.890  -6.851
  190   HD11  LEU  27          HD11      LEU  27   7.145   6.885  -6.234
  191   HD12  LEU  27          HD12      LEU  27   5.645   6.647  -5.337
  192   HD13  LEU  27          HD13      LEU  27   5.599   7.300  -6.975
  193   HD21  LEU  27          HD21      LEU  27   6.222   4.099  -8.635
  194   HD22  LEU  27          HD22      LEU  27   7.540   5.239  -8.320
  195   HD23  LEU  27          HD23      LEU  27   5.966   5.827  -8.901
  196    H    GLU  28           H        GLU  28   5.003   1.825  -5.740
  197    HA   GLU  28           HA       GLU  28   2.466   2.701  -6.583
  198    HB2  GLU  28           HB2      GLU  28   3.631   0.791  -7.563
  199    HB3  GLU  28           HB1      GLU  28   3.531  -0.074  -6.039
  200    HG2  GLU  28           HG2      GLU  28   1.143  -0.192  -6.232
  201    HG3  GLU  28           HG1      GLU  28   1.185   0.763  -7.722
  202    H    MET  29           H        MET  29   3.706   1.288  -3.723
  203    HA   MET  29           HA       MET  29   1.117   0.699  -2.597
  204    HB2  MET  29           HB2      MET  29   3.869   0.597  -1.376
  205    HB3  MET  29           HB1      MET  29   2.409   0.125  -0.525
  206    HG2  MET  29           HG2      MET  29   3.585  -1.155  -2.980
  207    HG3  MET  29           HG1      MET  29   3.507  -1.844  -1.363
  208    HE1  MET  29           HE1      MET  29  -0.442  -2.147  -0.968
  209    HE2  MET  29           HE2      MET  29   0.490  -0.667  -0.728
  210    HE3  MET  29          3HE       MET  29   1.117  -2.201  -0.127
  211    H    GLY  30           H        GLY  30   3.231   3.245  -2.735
  212    HA2  GLY  30           HA2      GLY  30   2.405   4.702  -0.445
  213    HA3  GLY  30           HA1      GLY  30   3.247   5.376  -1.830
  214    H    TYR  31           H        TYR  31   1.055   4.284  -3.586
  215    HA   TYR  31           HA       TYR  31  -0.867   6.287  -2.802
  216    HB2  TYR  31           HB2      TYR  31  -1.728   6.290  -5.170
  217    HB3  TYR  31           HB1      TYR  31  -0.132   6.952  -4.846
  218    HD1  TYR  31           HD1      TYR  31   1.774   6.130  -5.944
  219    HD2  TYR  31           HD2      TYR  31  -1.938   4.105  -6.296
  220    HE1  TYR  31           HE1      TYR  31   2.678   4.845  -7.764
  221    HE2  TYR  31           HE2      TYR  31  -1.053   2.787  -8.125
  222    HH   TYR  31           HH       TYR  31   0.726   3.078  -9.840
  223    H    TYR  32           H        TYR  32  -0.633   3.027  -3.718
  224    HA   TYR  32           HA       TYR  32  -3.405   2.524  -3.469
  225    HB2  TYR  32           HB2      TYR  32  -1.058   0.661  -3.416
  226    HB3  TYR  32           HB1      TYR  32  -2.635   0.057  -2.949
  227    HD1  TYR  32           HD1      TYR  32  -0.483   0.778  -5.644
  228    HD2  TYR  32           HD2      TYR  32  -4.558   0.438  -4.575
  229    HE1  TYR  32           HE1      TYR  32  -1.068   0.470  -8.011
  230    HE2  TYR  32           HE2      TYR  32  -5.174   0.136  -6.908
  231    HH   TYR  32           HH       TYR  32  -2.788  -0.443  -9.330
  232    H    CYS  33           H        CYS  33  -0.814   2.266  -1.032
  233    HA   CYS  33           HA       CYS  33  -2.948   2.394   0.941
  234    HB2  CYS  33           HB2      CYS  33  -0.707   0.375   1.095
  235    HB3  CYS  33           HB1      CYS  33  -2.063   0.587   2.203
  236    HA   PRO  34           HA       PRO  34   0.846   5.171   1.691
  237    HB2  PRO  34           HB2      PRO  34  -0.625   7.408   2.284
  238    HB3  PRO  34           HB1      PRO  34  -0.040   7.018   0.663
  239    HG2  PRO  34           HG2      PRO  34  -2.731   6.502   1.872
  240    HG3  PRO  34           HG1      PRO  34  -2.346   7.155   0.274
  241    HD2  PRO  34           HD2      PRO  34  -3.030   4.619   0.556
  242    HD3  PRO  34           HD1      PRO  34  -1.729   5.071  -0.561
  243    H    VAL  35           H        VAL  35  -2.159   4.570   3.293
  244    HA   VAL  35           HA       VAL  35  -1.263   5.696   5.764
  245    HB   VAL  35           HB       VAL  35  -3.828   4.248   5.103
  246   HG11  VAL  35          HG11      VAL  35  -3.058   5.897   7.499
  247   HG12  VAL  35          HG12      VAL  35  -3.288   4.149   7.478
  248   HG13  VAL  35          3HG1      VAL  35  -4.661   5.225   7.187
  249   HG21  VAL  35          HG21      VAL  35  -3.199   7.179   5.348
  250   HG22  VAL  35          HG22      VAL  35  -4.799   6.492   5.020
  251   HG23  VAL  35          HG23      VAL  35  -3.479   6.300   3.855
  252    H    THR  36           H        THR  36  -2.166   2.552   4.478
  253    HA   THR  36           HA       THR  36  -1.662   0.975   6.731
  254    HB   THR  36           HB       THR  36  -1.231   0.145   3.869
  255    HG1  THR  36           HG1      THR  36  -3.294   1.142   4.140
  256   HG21  THR  36          HG21      THR  36  -0.518  -1.513   5.526
  257   HG22  THR  36          HG22      THR  36  -1.965  -2.069   4.687
  258   HG23  THR  36          HG23      THR  36  -2.088  -1.415   6.319
  259    H    CYS  37           H        CYS  37   0.535   1.904   4.084
  260    HA   CYS  37           HA       CYS  37   2.728   0.498   5.248
  261    HB2  CYS  37           HB2      CYS  37   2.607   2.464   2.983
  262    HB3  CYS  37           HB1      CYS  37   4.048   1.535   3.409
  263    H    GLY  38           H        GLY  38   1.315   3.417   6.008
  264    HA2  GLY  38           HA2      GLY  38   1.874   4.827   7.720
  265    HA3  GLY  38           HA1      GLY  38   3.360   3.923   7.922
  266    H    PHE  39           H        PHE  39   2.294   5.634   5.012
  267    HA   PHE  39           HA       PHE  39   4.740   7.177   4.964
  268    HB2  PHE  39           HB2      PHE  39   2.240   7.282   3.251
  269    HB3  PHE  39           HB1      PHE  39   3.625   8.328   2.996
  270    HD1  PHE  39           HD1      PHE  39   2.388   4.890   2.824
  271    HD2  PHE  39           HD2      PHE  39   5.592   7.527   1.953
  272    HE1  PHE  39           HE1      PHE  39   3.417   3.172   1.339
  273    HE2  PHE  39           HE2      PHE  39   6.618   5.837   0.499
  274    HZ   PHE  39           HZ       PHE  39   5.527   3.656   0.193
  275    HA   CYS  40           HA       CYS  40   1.972  10.003   7.254
  276    HB2  CYS  40           HB2      CYS  40  -0.255  10.823   6.144
  277    HB3  CYS  40           HB1      CYS  40   1.270  11.000   5.274
  278    HN1  NH2  41           H1       CYS  40   1.634   8.817   9.109
  279    HN2  NH2  41           H2       CYS  40   0.115   8.116   9.543
  Start of MODEL    9
    1    H1   GLU   1           HT1      GLU   1  -2.451  15.829   0.278
    2    H2   GLU   1           HT2      GLU   1  -3.362  17.117   0.824
    3    H3   GLU   1           HT3      GLU   1  -2.993  17.002  -0.799
    4    HA   GLU   1           HA       GLU   1  -5.260  16.378  -0.340
    5    HB2  GLU   1           HB2      GLU   1  -5.247  14.123  -1.382
    6    HB3  GLU   1           HB1      GLU   1  -4.254  15.284  -2.258
    7    HG2  GLU   1           HG2      GLU   1  -2.257  14.275  -1.259
    8    HG3  GLU   1           HG1      GLU   1  -3.276  13.134  -0.378
    9    H    HIS   2           H        HIS   2  -6.425  14.152   0.304
   10    HA   HIS   2           HA       HIS   2  -5.790  13.829   3.104
   11    HB2  HIS   2           HB2      HIS   2  -8.150  14.168   2.532
   12    HB3  HIS   2           HB1      HIS   2  -8.108  12.786   1.447
   13    HD1  HIS   2           HD1      HIS   2  -9.357  10.888   2.512
   14    HD2  HIS   2           HD2      HIS   2  -7.188  13.088   5.284
   15    HE1  HIS   2           HE1      HIS   2  -9.682   9.741   4.721
   16    H    CYS   3           H        CYS   3  -4.339  12.375   3.580
   17    HA   CYS   3           HA       CYS   3  -3.638  10.252   1.837
   18    HB2  CYS   3           HB2      CYS   3  -2.118   9.544   3.662
   19    HB3  CYS   3           HB1      CYS   3  -1.928  11.239   3.233
   20    H    ALA   4           H        ALA   4  -5.050   8.678   1.492
   21    HA   ALA   4           HA       ALA   4  -6.008   7.184   3.800
   22    HB1  ALA   4           HB1      ALA   4  -7.746   8.071   1.509
   23    HB2  ALA   4           HB2      ALA   4  -7.838   8.683   3.164
   24    HB3  ALA   4           HB3      ALA   4  -8.225   6.995   2.815
   25    H    ASP   5           H        ASP   5  -6.107   5.054   3.450
   26    HA   ASP   5           HA       ASP   5  -4.741   3.872   1.262
   27    HB2  ASP   5           HB2      ASP   5  -6.757   2.536   3.076
   28    HB3  ASP   5           HB1      ASP   5  -5.536   1.736   2.105
   29    H    GLU   6           H        GLU   6  -5.481   2.905  -0.551
   30    HA   GLU   6           HA       GLU   6  -7.838   4.017  -1.655
   31    HB2  GLU   6           HB2      GLU   6  -5.496   2.982  -2.697
   32    HB3  GLU   6           HB1      GLU   6  -6.681   1.767  -3.139
   33    HG2  GLU   6           HG2      GLU   6  -6.738   4.697  -3.843
   34    HG3  GLU   6           HG1      GLU   6  -6.470   3.335  -4.925
   35    H    LYS   7           H        LYS   7  -9.606   2.966  -2.446
   36    HA   LYS   7           HA       LYS   7 -10.619   0.905  -0.690
   37    HB2  LYS   7           HB2      LYS   7 -12.779   1.465  -1.623
   38    HB3  LYS   7           HB1      LYS   7 -11.920   2.912  -1.120
   39    HG2  LYS   7           HG2      LYS   7 -11.203   3.146  -3.548
   40    HG3  LYS   7           HG1      LYS   7 -12.405   1.910  -3.907
   41    HD2  LYS   7           HD2      LYS   7 -13.532   3.935  -4.245
   42    HD3  LYS   7           HD1      LYS   7 -14.014   3.356  -2.638
   43    HE2  LYS   7           HE2      LYS   7 -13.542   5.760  -2.593
   44    HE3  LYS   7           HE1      LYS   7 -12.410   4.868  -1.581
   45    HZ1  LYS   7           HZ1      LYS   7 -11.301   6.543  -2.880
   46    HZ2  LYS   7           HZ2      LYS   7 -11.888   5.896  -4.316
   47    HZ3  LYS   7           HZ3      LYS   7 -10.757   5.036  -3.414
   48    H    ASN   8           H        ASN   8  -9.519   1.186  -3.894
   49    HA   ASN   8           HA       ASN   8 -10.721  -1.374  -4.705
   50    HB2  ASN   8           HB2      ASN   8  -9.095   0.590  -6.340
   51    HB3  ASN   8           HB1      ASN   8  -9.797  -0.894  -6.964
   52   HD21  ASN   8          HD21      ASN   8 -10.375   2.312  -5.898
   53   HD22  ASN   8          HD22      ASN   8 -12.016   2.437  -6.450
   54    H    PHE   9           H        PHE   9  -8.167  -0.536  -3.028
   55    HA   PHE   9           HA       PHE   9  -6.434  -2.650  -4.144
   56    HB2  PHE   9           HB2      PHE   9  -5.669  -0.208  -4.303
   57    HB3  PHE   9           HB1      PHE   9  -5.543  -0.276  -2.545
   58    HD1  PHE   9           HD1      PHE   9  -4.440  -1.876  -5.644
   59    HD2  PHE   9           HD2      PHE   9  -3.689  -1.219  -1.531
   60    HE1  PHE   9           HE1      PHE   9  -2.285  -2.907  -5.902
   61    HE2  PHE   9           HE2      PHE   9  -1.489  -2.250  -1.761
   62    HZ   PHE   9           HZ       PHE   9  -0.753  -3.085  -3.931
   63    H    ASP  10           H        ASP  10  -5.843  -4.174  -2.607
   64    HA   ASP  10           HA       ASP  10  -7.204  -3.836  -0.050
   65    HB2  ASP  10           HB2      ASP  10  -7.436  -5.977  -1.438
   66    HB3  ASP  10           HB1      ASP  10  -5.791  -6.346  -0.922
   67    H    CYS  11           H        CYS  11  -6.067  -2.771   1.311
   68    HA   CYS  11           HA       CYS  11  -3.232  -2.690   1.265
   69    HB2  CYS  11           HB2      CYS  11  -5.246  -1.485   3.135
   70    HB3  CYS  11           HB1      CYS  11  -3.513  -1.156   3.184
   71    H    ARG  12           H        ARG  12  -5.556  -4.497   3.080
   72    HA   ARG  12           HA       ARG  12  -3.751  -5.071   5.249
   73    HB2  ARG  12           HB2      ARG  12  -6.254  -6.565   4.447
   74    HB3  ARG  12           HB1      ARG  12  -5.419  -6.694   5.984
   75    HG2  ARG  12           HG2      ARG  12  -6.849  -4.263   4.929
   76    HG3  ARG  12           HG1      ARG  12  -7.427  -5.364   6.176
   77    HD2  ARG  12           HD2      ARG  12  -5.544  -4.698   7.618
   78    HD3  ARG  12           HD1      ARG  12  -4.964  -3.609   6.357
   79    HE   ARG  12           HE       ARG  12  -7.678  -3.224   7.295
   80   HH11  ARG  12          HH11      ARG  12  -4.318  -2.193   7.676
   81   HH12  ARG  12          HH12      ARG  12  -4.687  -0.604   8.165
   82   HH21  ARG  12          HH21      ARG  12  -8.202  -1.033   8.002
   83   HH22  ARG  12          HH22      ARG  12  -6.952   0.074   8.334
   84    H    ARG  13           H        ARG  13  -4.925  -6.745   2.395
   85    HA   ARG  13           HA       ARG  13  -3.498  -9.136   2.627
   86    HB2  ARG  13           HB2      ARG  13  -5.337  -8.632   1.036
   87    HB3  ARG  13           HB1      ARG  13  -4.219  -7.636   0.126
   88    HG2  ARG  13           HG2      ARG  13  -2.834  -9.614  -0.301
   89    HG3  ARG  13           HG1      ARG  13  -4.009 -10.597   0.572
   90    HD2  ARG  13           HD2      ARG  13  -4.509  -8.983  -1.910
   91    HD3  ARG  13           HD1      ARG  13  -4.439 -10.743  -1.787
   92    HE   ARG  13           HE       ARG  13  -6.344 -10.122  -0.035
   93   HH11  ARG  13          HH11      ARG  13  -5.871  -9.183  -3.416
   94   HH12  ARG  13          HH12      ARG  13  -7.519  -9.057  -3.772
   95   HH21  ARG  13          HH21      ARG  13  -8.682  -9.889  -0.518
   96   HH22  ARG  13          HH22      ARG  13  -9.139  -9.467  -2.097
   97    H    SER  14           H        SER  14  -2.699  -6.114   0.989
   98    HA   SER  14           HA       SER  14  -0.203  -6.877  -0.007
   99    HB2  SER  14           HB2      SER  14  -1.173  -4.119   0.754
  100    HB3  SER  14           HB1      SER  14   0.196  -4.470  -0.304
  101    HG   SER  14           HG       SER  14  -2.555  -4.785  -0.763
  102    H    LEU  15           H        LEU  15  -1.105  -5.614   3.143
  103    HA   LEU  15           HA       LEU  15   1.575  -5.173   3.952
  104    HB2  LEU  15           HB2      LEU  15  -0.316  -4.022   4.979
  105    HB3  LEU  15           HB1      LEU  15  -0.904  -5.543   5.607
  106    HG   LEU  15           HG       LEU  15   1.066  -5.758   7.033
  107   HD11  LEU  15          HD11      LEU  15   2.653  -3.912   7.242
  108   HD12  LEU  15          HD12      LEU  15   1.840  -3.070   5.916
  109   HD13  LEU  15          HD13      LEU  15   2.659  -4.604   5.617
  110   HD21  LEU  15          HD21      LEU  15  -0.255  -3.072   7.280
  111   HD22  LEU  15          HD22      LEU  15   0.536  -3.982   8.576
  112   HD23  LEU  15          HD23      LEU  15  -0.930  -4.607   7.817
  113    H    ARG  16           H        ARG  16  -0.730  -7.775   4.424
  114    HA   ARG  16           HA       ARG  16   0.966  -9.312   6.100
  115    HB2  ARG  16           HB2      ARG  16  -1.462 -10.120   4.532
  116    HB3  ARG  16           HB1      ARG  16  -0.665 -11.135   5.727
  117    HG2  ARG  16           HG2      ARG  16  -1.133  -9.477   7.455
  118    HG3  ARG  16           HG1      ARG  16  -1.909  -8.444   6.256
  119    HD2  ARG  16           HD2      ARG  16  -2.776 -11.192   7.099
  120    HD3  ARG  16           HD1      ARG  16  -3.571  -9.673   7.518
  121    HE   ARG  16           HE       ARG  16  -3.329 -10.691   4.775
  122   HH11  ARG  16          HH11      ARG  16  -5.300  -9.150   7.300
  123   HH12  ARG  16          HH12      ARG  16  -6.679  -9.041   6.321
  124   HH21  ARG  16          HH21      ARG  16  -5.233 -10.548   3.465
  125   HH22  ARG  16          HH22      ARG  16  -6.630  -9.819   4.090
  126    H    ASN  17           H        ASN  17   0.445  -9.302   2.646
  127    HA   ASN  17           HA       ASN  17   2.061 -11.658   2.234
  128    HB2  ASN  17           HB2      ASN  17   0.928  -9.637   0.334
  129    HB3  ASN  17           HB1      ASN  17   2.094 -10.835  -0.206
  130   HD21  ASN  17          HD21      ASN  17  -1.086 -10.280   0.956
  131   HD22  ASN  17          HD22      ASN  17  -1.721 -11.836   0.553
  132    H    GLY  18           H        GLY  18   2.659  -8.306   2.470
  133    HA2  GLY  18           HA2      GLY  18   4.877  -7.617   3.087
  134    HA3  GLY  18           HA1      GLY  18   5.506  -8.935   2.113
  135    H    ASP  19           H        ASP  19   3.000  -7.482   0.533
  136    HA   ASP  19           HA       ASP  19   4.611  -6.390  -1.546
  137    HB2  ASP  19           HB2      ASP  19   1.675  -5.978  -0.907
  138    HB3  ASP  19           HB1      ASP  19   2.453  -5.318  -2.337
  139    H    CYS  20           H        CYS  20   3.006  -5.151   1.214
  140    HA   CYS  20           HA       CYS  20   3.189  -2.399   0.870
  141    HB2  CYS  20           HB2      CYS  20   1.883  -3.383   2.629
  142    HB3  CYS  20           HB1      CYS  20   3.320  -4.089   3.353
  143    H    ASP  21           H        ASP  21   5.619  -4.709   1.778
  144    HA   ASP  21           HA       ASP  21   7.540  -2.585   2.448
  145    HB2  ASP  21           HB2      ASP  21   7.203  -4.182   4.223
  146    HB3  ASP  21           HB1      ASP  21   7.440  -5.528   3.122
  147    H    ASN  22           H        ASN  22   6.674  -4.578  -0.078
  148    HA   ASN  22           HA       ASN  22   9.311  -5.418  -0.879
  149    HB2  ASN  22           HB2      ASN  22   7.339  -6.834  -1.364
  150    HB3  ASN  22           HB1      ASN  22   6.714  -5.577  -2.426
  151   HD21  ASN  22          HD21      ASN  22   6.742  -7.084  -4.117
  152   HD22  ASN  22          HD22      ASN  22   8.195  -7.521  -4.936
  153    H    ASP  23           H        ASP  23  10.631  -4.551  -2.277
  154    HA   ASP  23           HA       ASP  23  10.673  -1.816  -2.628
  155    HB2  ASP  23           HB2      ASP  23  12.685  -3.158  -2.714
  156    HB3  ASP  23           HB1      ASP  23  12.178  -3.877  -4.238
  157    H    ASP  24           H        ASP  24   9.817  -4.232  -5.075
  158    HA   ASP  24           HA       ASP  24   9.355  -2.440  -7.195
  159    HB2  ASP  24           HB2      ASP  24   9.573  -4.816  -7.604
  160    HB3  ASP  24           HB1      ASP  24   8.114  -5.150  -6.679
  161    H    LYS  25           H        LYS  25   7.447  -3.038  -4.411
  162    HA   LYS  25           HA       LYS  25   5.047  -2.058  -5.776
  163    HB2  LYS  25           HB2      LYS  25   5.219  -3.236  -3.006
  164    HB3  LYS  25           HB1      LYS  25   3.778  -2.972  -3.974
  165    HG2  LYS  25           HG2      LYS  25   5.951  -4.973  -4.465
  166    HG3  LYS  25           HG1      LYS  25   4.304  -5.291  -3.921
  167    HD2  LYS  25           HD2      LYS  25   3.441  -4.460  -6.032
  168    HD3  LYS  25           HD1      LYS  25   5.085  -4.092  -6.566
  169    HE2  LYS  25           HE2      LYS  25   5.631  -6.485  -6.215
  170    HE3  LYS  25           HE1      LYS  25   3.908  -6.765  -5.947
  171    HZ1  LYS  25           HZ1      LYS  25   3.465  -5.897  -8.151
  172    HZ2  LYS  25           HZ2      LYS  25   4.506  -7.215  -8.244
  173    HZ3  LYS  25           HZ3      LYS  25   5.127  -5.638  -8.392
  174    H    LEU  26           H        LEU  26   7.522  -1.028  -3.711
  175    HA   LEU  26           HA       LEU  26   6.296   0.419  -1.751
  176    HB2  LEU  26           HB2      LEU  26   8.914   0.972  -3.089
  177    HB3  LEU  26           HB1      LEU  26   8.351   1.862  -1.690
  178    HG   LEU  26           HG       LEU  26   8.877  -1.109  -1.788
  179   HD11  LEU  26          HD11      LEU  26  10.917   0.218  -1.861
  180   HD12  LEU  26          HD12      LEU  26  10.743  -0.593  -0.304
  181   HD13  LEU  26          HD13      LEU  26  10.381   1.128  -0.448
  182   HD21  LEU  26          HD21      LEU  26   8.038   0.683   0.486
  183   HD22  LEU  26          HD22      LEU  26   8.565  -0.990   0.654
  184   HD23  LEU  26          HD23      LEU  26   7.088  -0.622  -0.232
  185    H    LEU  27           H        LEU  27   7.113   1.859  -4.966
  186    HA   LEU  27           HA       LEU  27   6.340   4.432  -4.337
  187    HB2  LEU  27           HB2      LEU  27   7.581   3.319  -6.337
  188    HB3  LEU  27           HB1      LEU  27   5.967   3.094  -6.964
  189    HG   LEU  27           HG       LEU  27   7.286   4.912  -7.846
  190   HD11  LEU  27          HD11      LEU  27   5.399   6.576  -7.894
  191   HD12  LEU  27          HD12      LEU  27   4.651   5.687  -6.567
  192   HD13  LEU  27          HD13      LEU  27   4.851   4.915  -8.141
  193   HD21  LEU  27          HD21      LEU  27   7.411   7.052  -6.618
  194   HD22  LEU  27          HD22      LEU  27   8.334   5.747  -5.864
  195   HD23  LEU  27          HD23      LEU  27   6.774   6.228  -5.198
  196    H    GLU  28           H        GLU  28   4.612   1.676  -5.627
  197    HA   GLU  28           HA       GLU  28   2.124   2.927  -6.036
  198    HB2  GLU  28           HB2      GLU  28   3.018   0.081  -5.830
  199    HB3  GLU  28           HB1      GLU  28   1.306   0.430  -5.846
  200    HG2  GLU  28           HG2      GLU  28   2.163  -0.160  -8.052
  201    HG3  GLU  28           HG1      GLU  28   1.509   1.473  -8.014
  202    H    MET  29           H        MET  29   3.629   1.409  -3.314
  203    HA   MET  29           HA       MET  29   1.244   1.139  -1.793
  204    HB2  MET  29           HB2      MET  29   4.119   1.152  -0.871
  205    HB3  MET  29           HB1      MET  29   2.749   0.707   0.136
  206    HG2  MET  29           HG2      MET  29   3.858  -0.716  -2.257
  207    HG3  MET  29           HG1      MET  29   3.791  -1.296  -0.602
  208    HE1  MET  29           HE1      MET  29   0.744  -0.122  -0.084
  209    HE2  MET  29           HE2      MET  29   1.299  -1.638   0.627
  210    HE3  MET  29          3HE       MET  29  -0.218  -1.587  -0.281
  211    H    GLY  30           H        GLY  30   3.452   3.630  -2.392
  212    HA2  GLY  30           HA2      GLY  30   2.937   5.232  -0.098
  213    HA3  GLY  30           HA1      GLY  30   3.651   5.820  -1.584
  214    H    TYR  31           H        TYR  31   1.254   4.796  -3.091
  215    HA   TYR  31           HA       TYR  31  -0.517   6.903  -2.198
  216    HB2  TYR  31           HB2      TYR  31  -1.432   7.049  -4.516
  217    HB3  TYR  31           HB1      TYR  31   0.223   7.584  -4.241
  218    HD1  TYR  31           HD1      TYR  31   1.971   6.737  -5.493
  219    HD2  TYR  31           HD2      TYR  31  -1.800   4.828  -5.651
  220    HE1  TYR  31           HE1      TYR  31   2.736   5.455  -7.379
  221    HE2  TYR  31           HE2      TYR  31  -1.056   3.512  -7.554
  222    HH   TYR  31           HH       TYR  31   2.238   3.382  -8.554
  223    H    TYR  32           H        TYR  32  -0.467   3.659  -3.217
  224    HA   TYR  32           HA       TYR  32  -3.277   3.312  -3.036
  225    HB2  TYR  32           HB2      TYR  32  -1.064   1.268  -3.038
  226    HB3  TYR  32           HB1      TYR  32  -2.718   0.797  -2.753
  227    HD1  TYR  32           HD1      TYR  32  -0.419   0.678  -5.103
  228    HD2  TYR  32           HD2      TYR  32  -4.304   2.271  -4.597
  229    HE1  TYR  32           HE1      TYR  32  -0.787   0.523  -7.535
  230    HE2  TYR  32           HE2      TYR  32  -4.704   2.136  -6.995
  231    HH   TYR  32           HH       TYR  32  -3.420   2.035  -9.061
  232    H    CYS  33           H        CYS  33  -0.712   2.700  -0.633
  233    HA   CYS  33           HA       CYS  33  -2.881   2.758   1.310
  234    HB2  CYS  33           HB2      CYS  33  -0.695   0.680   1.395
  235    HB3  CYS  33           HB1      CYS  33  -2.064   0.850   2.488
  236    HA   PRO  34           HA       PRO  34   0.781   5.382   2.402
  237    HB2  PRO  34           HB2      PRO  34  -0.600   7.618   3.029
  238    HB3  PRO  34           HB1      PRO  34  -0.068   7.237   1.385
  239    HG2  PRO  34           HG2      PRO  34  -2.752   6.829   2.644
  240    HG3  PRO  34           HG1      PRO  34  -2.372   7.477   1.045
  241    HD2  PRO  34           HD2      PRO  34  -3.146   4.943   1.418
  242    HD3  PRO  34           HD1      PRO  34  -1.985   5.385   0.149
  243    H    VAL  35           H        VAL  35  -2.240   4.641   3.850
  244    HA   VAL  35           HA       VAL  35  -1.426   5.581   6.433
  245    HB   VAL  35           HB       VAL  35  -3.967   4.177   5.619
  246   HG11  VAL  35          HG11      VAL  35  -4.842   5.051   7.731
  247   HG12  VAL  35          HG12      VAL  35  -3.245   5.724   8.092
  248   HG13  VAL  35          3HG1      VAL  35  -3.461   3.979   7.998
  249   HG21  VAL  35          HG21      VAL  35  -3.336   7.084   6.014
  250   HG22  VAL  35          HG22      VAL  35  -4.930   6.421   5.606
  251   HG23  VAL  35          HG23      VAL  35  -3.565   6.269   4.479
  252    H    THR  36           H        THR  36  -2.389   2.503   4.973
  253    HA   THR  36           HA       THR  36  -1.869   0.896   7.205
  254    HB   THR  36           HB       THR  36  -1.808   0.100   4.288
  255    HG1  THR  36           HG1      THR  36  -3.787   1.142   5.056
  256   HG21  THR  36          HG21      THR  36  -2.308  -1.553   6.772
  257   HG22  THR  36          HG22      THR  36  -0.869  -1.631   5.754
  258   HG23  THR  36          HG23      THR  36  -2.432  -2.134   5.111
  259    H    CYS  37           H        CYS  37   0.297   1.913   4.614
  260    HA   CYS  37           HA       CYS  37   2.410   0.280   5.714
  261    HB2  CYS  37           HB2      CYS  37   2.247   2.031   3.309
  262    HB3  CYS  37           HB1      CYS  37   3.742   1.209   3.778
  263    H    GLY  38           H        GLY  38   1.233   3.129   6.676
  264    HA2  GLY  38           HA2      GLY  38   2.055   4.599   8.229
  265    HA3  GLY  38           HA1      GLY  38   3.528   3.654   8.253
  266    H    PHE  39           H        PHE  39   2.070   5.508   5.598
  267    HA   PHE  39           HA       PHE  39   4.551   7.071   5.387
  268    HB2  PHE  39           HB2      PHE  39   2.099   6.967   3.600
  269    HB3  PHE  39           HB1      PHE  39   3.487   8.002   3.315
  270    HD1  PHE  39           HD1      PHE  39   2.219   4.586   3.253
  271    HD2  PHE  39           HD2      PHE  39   5.528   7.116   2.464
  272    HE1  PHE  39           HE1      PHE  39   3.300   2.789   1.890
  273    HE2  PHE  39           HE2      PHE  39   6.603   5.349   1.144
  274    HZ   PHE  39           HZ       PHE  39   5.480   3.181   0.858
  275    HA   CYS  40           HA       CYS  40   1.467   9.911   7.155
  276    HB2  CYS  40           HB2      CYS  40   0.777  10.326   4.802
  277    HB3  CYS  40           HB1      CYS  40  -0.605   9.265   5.070
  278    HN1  NH2  41           H1       CYS  40   1.011   9.105   9.122
  279    HN2  NH2  41           H2       CYS  40  -0.410   8.216   9.533
  Start of MODEL   10
    1    H1   GLU   1           HT1      GLU   1  -7.067  18.322   1.475
    2    H2   GLU   1           HT2      GLU   1  -5.943  18.031   2.709
    3    H3   GLU   1           HT3      GLU   1  -7.492  17.382   2.812
    4    HA   GLU   1           HA       GLU   1  -7.067  15.996   0.907
    5    HB2  GLU   1           HB2      GLU   1  -5.381  17.651  -0.074
    6    HB3  GLU   1           HB1      GLU   1  -4.255  17.038   1.137
    7    HG2  GLU   1           HG2      GLU   1  -3.841  16.003  -0.994
    8    HG3  GLU   1           HG1      GLU   1  -4.405  14.820   0.192
    9    H    HIS   2           H        HIS   2  -7.360  14.267   2.294
   10    HA   HIS   2           HA       HIS   2  -5.208  13.839   4.219
   11    HB2  HIS   2           HB2      HIS   2  -6.695  12.427   5.531
   12    HB3  HIS   2           HB1      HIS   2  -7.528  13.929   5.197
   13    HD1  HIS   2           HD1      HIS   2  -8.005  10.315   5.119
   14    HD2  HIS   2           HD2      HIS   2  -9.540  13.567   3.033
   15    HE1  HIS   2           HE1      HIS   2 -10.122   9.522   4.052
   16    H    CYS   3           H        CYS   3  -3.746  12.416   3.716
   17    HA   CYS   3           HA       CYS   3  -3.940  10.735   1.483
   18    HB2  CYS   3           HB2      CYS   3  -1.889   9.629   2.331
   19    HB3  CYS   3           HB1      CYS   3  -1.747  11.376   2.390
   20    H    ALA   4           H        ALA   4  -4.952   8.860   1.198
   21    HA   ALA   4           HA       ALA   4  -5.700   7.317   3.546
   22    HB1  ALA   4           HB1      ALA   4  -8.012   7.136   2.778
   23    HB2  ALA   4           HB2      ALA   4  -7.659   8.233   1.444
   24    HB3  ALA   4           HB3      ALA   4  -7.581   8.814   3.106
   25    H    ASP   5           H        ASP   5  -5.792   5.202   3.206
   26    HA   ASP   5           HA       ASP   5  -4.565   4.031   0.973
   27    HB2  ASP   5           HB2      ASP   5  -6.455   2.719   2.934
   28    HB3  ASP   5           HB1      ASP   5  -5.416   1.865   1.807
   29    H    GLU   6           H        GLU   6  -5.352   2.895  -0.770
   30    HA   GLU   6           HA       GLU   6  -7.715   3.850  -1.944
   31    HB2  GLU   6           HB2      GLU   6  -5.733   3.243  -3.249
   32    HB3  GLU   6           HB1      GLU   6  -5.846   1.586  -2.696
   33    HG2  GLU   6           HG2      GLU   6  -6.600   1.908  -4.988
   34    HG3  GLU   6           HG1      GLU   6  -7.864   1.268  -3.932
   35    H    LYS   7           H        LYS   7  -9.714   2.976  -2.041
   36    HA   LYS   7           HA       LYS   7 -10.323   0.856  -0.180
   37    HB2  LYS   7           HB2      LYS   7 -12.670   1.350  -0.646
   38    HB3  LYS   7           HB1      LYS   7 -11.766   2.780  -0.181
   39    HG2  LYS   7           HG2      LYS   7 -11.652   3.468  -2.525
   40    HG3  LYS   7           HG1      LYS   7 -12.538   2.018  -2.986
   41    HD2  LYS   7           HD2      LYS   7 -14.093   3.842  -2.884
   42    HD3  LYS   7           HD1      LYS   7 -14.352   2.714  -1.540
   43    HE2  LYS   7           HE2      LYS   7 -14.530   5.087  -0.837
   44    HE3  LYS   7           HE1      LYS   7 -13.271   4.208   0.016
   45    HZ1  LYS   7           HZ1      LYS   7 -11.611   5.260  -1.356
   46    HZ2  LYS   7           HZ2      LYS   7 -12.580   6.450  -0.703
   47    HZ3  LYS   7           HZ3      LYS   7 -12.777   6.004  -2.313
   48    H    ASN   8           H        ASN   8  -9.916   1.256  -3.472
   49    HA   ASN   8           HA       ASN   8 -11.210  -1.234  -4.260
   50    HB2  ASN   8           HB2      ASN   8  -9.707   0.900  -5.774
   51    HB3  ASN   8           HB1      ASN   8 -10.145  -0.625  -6.533
   52   HD21  ASN   8          HD21      ASN   8 -12.239  -1.019  -7.002
   53   HD22  ASN   8          HD22      ASN   8 -13.501   0.154  -6.929
   54    H    PHE   9           H        PHE   9  -8.829  -0.968  -2.460
   55    HA   PHE   9           HA       PHE   9  -7.026  -2.984  -3.655
   56    HB2  PHE   9           HB2      PHE   9  -6.358  -0.428  -3.759
   57    HB3  PHE   9           HB1      PHE   9  -6.096  -0.651  -2.038
   58    HD1  PHE   9           HD1      PHE   9  -4.250   0.012  -4.449
   59    HD2  PHE   9           HD2      PHE   9  -5.010  -3.475  -2.193
   60    HE1  PHE   9           HE1      PHE   9  -2.012  -0.790  -4.966
   61    HE2  PHE   9           HE2      PHE   9  -2.818  -4.301  -2.683
   62    HZ   PHE   9           HZ       PHE   9  -1.241  -2.898  -4.103
   63    H    ASP  10           H        ASP  10  -6.659  -4.518  -2.059
   64    HA   ASP  10           HA       ASP  10  -7.517  -3.783   0.655
   65    HB2  ASP  10           HB2      ASP  10  -8.519  -5.890  -0.353
   66    HB3  ASP  10           HB1      ASP  10  -6.902  -6.583  -0.329
   67    H    CYS  11           H        CYS  11  -5.704  -2.637   1.224
   68    HA   CYS  11           HA       CYS  11  -3.182  -3.877   0.825
   69    HB2  CYS  11           HB2      CYS  11  -3.879  -1.252   2.122
   70    HB3  CYS  11           HB1      CYS  11  -2.229  -1.846   1.963
   71    H    ARG  12           H        ARG  12  -5.467  -4.307   3.111
   72    HA   ARG  12           HA       ARG  12  -3.863  -4.793   5.399
   73    HB2  ARG  12           HB2      ARG  12  -6.439  -6.072   4.474
   74    HB3  ARG  12           HB1      ARG  12  -5.717  -6.372   6.042
   75    HG2  ARG  12           HG2      ARG  12  -6.712  -3.693   5.073
   76    HG3  ARG  12           HG1      ARG  12  -7.636  -4.811   6.066
   77    HD2  ARG  12           HD2      ARG  12  -6.776  -3.327   7.635
   78    HD3  ARG  12           HD1      ARG  12  -5.641  -4.669   7.690
   79    HE   ARG  12           HE       ARG  12  -4.879  -2.601   5.884
   80   HH11  ARG  12          HH11      ARG  12  -4.640  -3.753   9.225
   81   HH12  ARG  12          HH12      ARG  12  -3.488  -2.611   9.714
   82   HH21  ARG  12          HH21      ARG  12  -3.271  -0.974   6.580
   83   HH22  ARG  12          HH22      ARG  12  -2.665  -1.015   8.169
   84    H    ARG  13           H        ARG  13  -5.129  -6.873   2.801
   85    HA   ARG  13           HA       ARG  13  -3.674  -9.187   3.437
   86    HB2  ARG  13           HB2      ARG  13  -5.585  -9.264   1.926
   87    HB3  ARG  13           HB1      ARG  13  -4.752  -8.236   0.774
   88    HG2  ARG  13           HG2      ARG  13  -3.116  -9.986   0.353
   89    HG3  ARG  13           HG1      ARG  13  -3.884 -11.017   1.559
   90    HD2  ARG  13           HD2      ARG  13  -4.543 -11.627  -0.721
   91    HD3  ARG  13           HD1      ARG  13  -5.919 -11.085   0.237
   92    HE   ARG  13           HE       ARG  13  -4.747  -8.961  -1.255
   93   HH11  ARG  13          HH11      ARG  13  -6.879 -11.759  -1.647
   94   HH12  ARG  13          HH12      ARG  13  -7.802 -11.037  -2.888
   95   HH21  ARG  13          HH21      ARG  13  -6.013  -8.009  -2.951
   96   HH22  ARG  13          HH22      ARG  13  -7.314  -8.887  -3.643
   97    H    SER  14           H        SER  14  -2.925  -6.509   1.211
   98    HA   SER  14           HA       SER  14  -0.526  -7.464   0.220
   99    HB2  SER  14           HB2      SER  14  -1.226  -4.590   0.814
  100    HB3  SER  14           HB1      SER  14  -0.095  -5.178  -0.405
  101    HG   SER  14           HG       SER  14  -1.675  -5.554  -1.691
  102    H    LEU  15           H        LEU  15  -1.230  -5.898   3.300
  103    HA   LEU  15           HA       LEU  15   1.534  -5.550   3.981
  104    HB2  LEU  15           HB2      LEU  15  -0.294  -4.073   4.791
  105    HB3  LEU  15           HB1      LEU  15  -0.913  -5.413   5.727
  106    HG   LEU  15           HG       LEU  15   1.179  -5.453   7.029
  107   HD11  LEU  15          HD11      LEU  15   2.745  -3.573   6.840
  108   HD12  LEU  15          HD12      LEU  15   1.835  -2.958   5.458
  109   HD13  LEU  15          HD13      LEU  15   2.670  -4.504   5.342
  110   HD21  LEU  15          HD21      LEU  15   0.724  -3.466   8.304
  111   HD22  LEU  15          HD22      LEU  15  -0.800  -4.191   7.776
  112   HD23  LEU  15          HD23      LEU  15  -0.161  -2.762   6.956
  113    H    ARG  16           H        ARG  16  -1.048  -7.796   4.792
  114    HA   ARG  16           HA       ARG  16   0.347  -9.388   6.646
  115    HB2  ARG  16           HB2      ARG  16  -1.801 -10.200   4.679
  116    HB3  ARG  16           HB1      ARG  16  -1.245 -11.198   6.005
  117    HG2  ARG  16           HG2      ARG  16  -2.669  -8.551   6.222
  118    HG3  ARG  16           HG1      ARG  16  -3.353 -10.144   6.543
  119    HD2  ARG  16           HD2      ARG  16  -1.687 -10.435   8.357
  120    HD3  ARG  16           HD1      ARG  16  -1.136  -8.786   8.049
  121    HE   ARG  16           HE       ARG  16  -3.933  -8.970   8.525
  122   HH11  ARG  16          HH11      ARG  16  -0.786  -8.601  10.048
  123   HH12  ARG  16          HH12      ARG  16  -1.380  -8.031  11.540
  124   HH21  ARG  16          HH21      ARG  16  -4.801  -8.158  10.605
  125   HH22  ARG  16          HH22      ARG  16  -3.710  -7.785  11.857
  126    H    ASN  17           H        ASN  17   0.200  -9.453   3.166
  127    HA   ASN  17           HA       ASN  17   1.784 -11.841   2.930
  128    HB2  ASN  17           HB2      ASN  17   0.826  -9.838   0.897
  129    HB3  ASN  17           HB1      ASN  17   1.923 -11.139   0.472
  130   HD21  ASN  17          HD21      ASN  17  -0.680 -11.517   2.823
  131   HD22  ASN  17          HD22      ASN  17  -1.630 -12.572   1.845
  132    H    GLY  18           H        GLY  18   2.414  -8.395   2.340
  133    HA2  GLY  18           HA2      GLY  18   4.668  -7.734   3.257
  134    HA3  GLY  18           HA1      GLY  18   5.288  -9.083   2.312
  135    H    ASP  19           H        ASP  19   2.877  -7.856   0.544
  136    HA   ASP  19           HA       ASP  19   4.522  -6.738  -1.474
  137    HB2  ASP  19           HB2      ASP  19   1.546  -6.536  -1.009
  138    HB3  ASP  19           HB1      ASP  19   2.345  -5.868  -2.419
  139    H    CYS  20           H        CYS  20   2.638  -5.394   1.074
  140    HA   CYS  20           HA       CYS  20   2.845  -2.650   0.331
  141    HB2  CYS  20           HB2      CYS  20   1.003  -3.474   1.675
  142    HB3  CYS  20           HB1      CYS  20   2.118  -4.032   2.903
  143    H    ASP  21           H        ASP  21   5.148  -4.766   1.595
  144    HA   ASP  21           HA       ASP  21   6.666  -2.523   2.759
  145    HB2  ASP  21           HB2      ASP  21   6.076  -4.238   4.430
  146    HB3  ASP  21           HB1      ASP  21   6.853  -5.468   3.446
  147    H    ASN  22           H        ASN  22   6.422  -4.487   0.165
  148    HA   ASN  22           HA       ASN  22   9.172  -5.147  -0.251
  149    HB2  ASN  22           HB2      ASN  22   7.468  -6.616  -1.151
  150    HB3  ASN  22           HB1      ASN  22   6.769  -5.299  -2.079
  151   HD21  ASN  22          HD21      ASN  22   6.999  -6.525  -3.945
  152   HD22  ASN  22          HD22      ASN  22   8.526  -6.757  -4.713
  153    H    ASP  23           H        ASP  23  10.654  -3.882  -0.942
  154    HA   ASP  23           HA       ASP  23  10.435  -1.160  -1.412
  155    HB2  ASP  23           HB2      ASP  23  12.634  -2.993  -2.377
  156    HB3  ASP  23           HB1      ASP  23  12.718  -1.243  -2.370
  157    H    ASP  24           H        ASP  24  10.507  -3.773  -3.718
  158    HA   ASP  24           HA       ASP  24  10.774  -2.284  -6.071
  159    HB2  ASP  24           HB2      ASP  24  11.042  -4.708  -6.040
  160    HB3  ASP  24           HB1      ASP  24   9.340  -4.908  -5.653
  161    H    LYS  25           H        LYS  25   7.884  -3.056  -4.207
  162    HA   LYS  25           HA       LYS  25   6.254  -1.782  -6.258
  163    HB2  LYS  25           HB2      LYS  25   5.471  -3.525  -3.924
  164    HB3  LYS  25           HB1      LYS  25   4.344  -2.788  -5.053
  165    HG2  LYS  25           HG2      LYS  25   6.444  -4.834  -5.713
  166    HG3  LYS  25           HG1      LYS  25   4.700  -5.097  -5.625
  167    HD2  LYS  25           HD2      LYS  25   4.511  -3.278  -7.384
  168    HD3  LYS  25           HD1      LYS  25   6.243  -3.434  -7.579
  169    HE2  LYS  25           HE2      LYS  25   6.049  -5.771  -8.155
  170    HE3  LYS  25           HE1      LYS  25   4.305  -5.706  -7.894
  171    HZ1  LYS  25           HZ1      LYS  25   4.123  -4.167  -9.751
  172    HZ2  LYS  25           HZ2      LYS  25   4.886  -5.566 -10.266
  173    HZ3  LYS  25           HZ3      LYS  25   5.790  -4.185  -9.971
  174    H    LEU  26           H        LEU  26   7.868  -0.731  -3.641
  175    HA   LEU  26           HA       LEU  26   5.907   0.492  -2.090
  176    HB2  LEU  26           HB2      LEU  26   8.791   1.201  -2.430
  177    HB3  LEU  26           HB1      LEU  26   7.736   2.106  -1.364
  178    HG   LEU  26           HG       LEU  26   8.455  -0.813  -1.124
  179   HD11  LEU  26          HD11      LEU  26  10.254   0.734  -0.500
  180   HD12  LEU  26          HD12      LEU  26   9.606  -0.116   0.903
  181   HD13  LEU  26          HD13      LEU  26   9.151   1.561   0.601
  182   HD21  LEU  26          HD21      LEU  26   7.232  -0.708   1.019
  183   HD22  LEU  26          HD22      LEU  26   6.181  -0.478  -0.371
  184   HD23  LEU  26          HD23      LEU  26   6.672   0.913   0.600
  185    H    LEU  27           H        LEU  27   7.402   1.746  -5.074
  186    HA   LEU  27           HA       LEU  27   6.607   4.339  -4.949
  187    HB2  LEU  27           HB2      LEU  27   7.938   2.906  -6.658
  188    HB3  LEU  27           HB1      LEU  27   6.370   2.611  -7.360
  189    HG   LEU  27           HG       LEU  27   7.763   4.252  -8.432
  190   HD11  LEU  27          HD11      LEU  27   5.330   4.303  -8.818
  191   HD12  LEU  27          HD12      LEU  27   5.951   5.954  -8.809
  192   HD13  LEU  27          HD13      LEU  27   5.118   5.319  -7.390
  193   HD21  LEU  27          HD21      LEU  27   7.215   5.947  -6.016
  194   HD22  LEU  27          HD22      LEU  27   7.941   6.539  -7.511
  195   HD23  LEU  27          HD23      LEU  27   8.774   5.318  -6.544
  196    H    GLU  28           H        GLU  28   4.869   1.496  -6.151
  197    HA   GLU  28           HA       GLU  28   2.489   2.856  -6.834
  198    HB2  GLU  28           HB2      GLU  28   2.970  -0.060  -6.236
  199    HB3  GLU  28           HB1      GLU  28   1.457   0.584  -6.849
  200    HG2  GLU  28           HG2      GLU  28   2.654   1.389  -8.839
  201    HG3  GLU  28           HG1      GLU  28   4.122   0.613  -8.236
  202    H    MET  29           H        MET  29   3.712   1.439  -3.931
  203    HA   MET  29           HA       MET  29   1.142   1.295  -2.689
  204    HB2  MET  29           HB2      MET  29   3.883   0.945  -1.493
  205    HB3  MET  29           HB1      MET  29   2.379   0.662  -0.640
  206    HG2  MET  29           HG2      MET  29   3.510  -0.870  -2.961
  207    HG3  MET  29           HG1      MET  29   3.185  -1.452  -1.332
  208    HE1  MET  29           HE1      MET  29   0.309   0.116  -1.042
  209    HE2  MET  29           HE2      MET  29   0.599  -1.485  -0.354
  210    HE3  MET  29          3HE       MET  29  -0.817  -1.201  -1.384
  211    H    GLY  30           H        GLY  30   3.555   3.622  -3.032
  212    HA2  GLY  30           HA2      GLY  30   2.991   5.134  -0.702
  213    HA3  GLY  30           HA1      GLY  30   3.823   5.767  -2.103
  214    H    TYR  31           H        TYR  31   1.707   5.198  -3.950
  215    HA   TYR  31           HA       TYR  31  -0.036   7.304  -3.081
  216    HB2  TYR  31           HB2      TYR  31  -0.899   7.397  -5.433
  217    HB3  TYR  31           HB1      TYR  31   0.803   7.772  -5.185
  218    HD1  TYR  31           HD1      TYR  31  -1.558   5.335  -6.564
  219    HD2  TYR  31           HD2      TYR  31   2.510   6.477  -6.206
  220    HE1  TYR  31           HE1      TYR  31  -0.979   3.813  -8.359
  221    HE2  TYR  31           HE2      TYR  31   3.121   4.960  -7.972
  222    HH   TYR  31           HH       TYR  31   0.756   3.492  -9.985
  223    H    TYR  32           H        TYR  32  -0.217   4.002  -3.981
  224    HA   TYR  32           HA       TYR  32  -3.021   3.832  -3.814
  225    HB2  TYR  32           HB2      TYR  32  -0.905   1.715  -3.822
  226    HB3  TYR  32           HB1      TYR  32  -2.519   1.259  -3.354
  227    HD1  TYR  32           HD1      TYR  32  -0.402   1.347  -6.041
  228    HD2  TYR  32           HD2      TYR  32  -4.362   2.419  -4.965
  229    HE1  TYR  32           HE1      TYR  32  -1.086   1.188  -8.400
  230    HE2  TYR  32           HE2      TYR  32  -5.062   2.268  -7.278
  231    HH   TYR  32           HH       TYR  32  -4.063   2.406  -9.463
  232    H    CYS  33           H        CYS  33  -0.634   2.904  -1.308
  233    HA   CYS  33           HA       CYS  33  -2.764   3.457   0.542
  234    HB2  CYS  33           HB2      CYS  33  -1.241   0.863   0.513
  235    HB3  CYS  33           HB1      CYS  33  -2.203   1.430   1.877
  236    HA   PRO  34           HA       PRO  34   1.083   5.472   1.834
  237    HB2  PRO  34           HB2      PRO  34  -0.057   7.771   2.634
  238    HB3  PRO  34           HB1      PRO  34   0.296   7.441   0.931
  239    HG2  PRO  34           HG2      PRO  34  -2.287   7.112   2.415
  240    HG3  PRO  34           HG1      PRO  34  -2.007   7.897   0.857
  241    HD2  PRO  34           HD2      PRO  34  -2.928   5.407   1.026
  242    HD3  PRO  34           HD1      PRO  34  -1.807   5.885  -0.267
  243    H    VAL  35           H        VAL  35  -1.907   4.764   3.361
  244    HA   VAL  35           HA       VAL  35  -0.935   5.563   5.945
  245    HB   VAL  35           HB       VAL  35  -3.528   4.158   5.314
  246   HG11  VAL  35          HG11      VAL  35  -2.619   5.746   7.709
  247   HG12  VAL  35          HG12      VAL  35  -2.838   4.000   7.649
  248   HG13  VAL  35          3HG1      VAL  35  -4.236   5.072   7.487
  249   HG21  VAL  35          HG21      VAL  35  -4.515   6.413   5.390
  250   HG22  VAL  35          HG22      VAL  35  -3.315   6.223   4.095
  251   HG23  VAL  35          HG23      VAL  35  -2.883   7.082   5.563
  252    H    THR  36           H        THR  36  -2.115   2.592   4.455
  253    HA   THR  36           HA       THR  36  -1.379   0.859   6.525
  254    HB   THR  36           HB       THR  36  -1.806   0.319   3.587
  255    HG1  THR  36           HG1      THR  36  -3.620   1.041   4.850
  256   HG21  THR  36          HG21      THR  36  -0.412  -1.477   4.542
  257   HG22  THR  36          HG22      THR  36  -2.041  -2.056   4.186
  258   HG23  THR  36          HG23      THR  36  -1.583  -1.680   5.845
  259    H    CYS  37           H        CYS  37   0.511   1.895   3.721
  260    HA   CYS  37           HA       CYS  37   2.624   0.115   4.475
  261    HB2  CYS  37           HB2      CYS  37   2.318   2.054   2.223
  262    HB3  CYS  37           HB1      CYS  37   3.757   1.035   2.426
  263    H    GLY  38           H        GLY  38   1.779   2.762   5.946
  264    HA2  GLY  38           HA2      GLY  38   2.905   3.888   7.593
  265    HA3  GLY  38           HA1      GLY  38   4.341   2.994   7.149
  266    H    PHE  39           H        PHE  39   2.512   5.194   5.078
  267    HA   PHE  39           HA       PHE  39   4.900   6.888   4.933
  268    HB2  PHE  39           HB2      PHE  39   2.352   6.937   3.280
  269    HB3  PHE  39           HB1      PHE  39   3.714   8.024   3.049
  270    HD1  PHE  39           HD1      PHE  39   2.521   4.585   2.693
  271    HD2  PHE  39           HD2      PHE  39   5.690   7.297   1.950
  272    HE1  PHE  39           HE1      PHE  39   3.580   2.954   1.118
  273    HE2  PHE  39           HE2      PHE  39   6.736   5.689   0.417
  274    HZ   PHE  39           HZ       PHE  39   5.673   3.518   0.006
  275    HA   CYS  40           HA       CYS  40   1.894   8.888   7.739
  276    HB2  CYS  40           HB2      CYS  40   0.107  10.413   6.716
  277    HB3  CYS  40           HB1      CYS  40   1.694  10.462   5.956
  278    HN1  NH2  41           H1       CYS  40  -1.232   8.704   6.270
  279    HN2  NH2  41           H2       CYS  40  -1.911   7.558   7.371
  Start of MODEL   11
    1    H1   GLU   1           HT1      GLU   1  -5.978  17.081   0.275
    2    H2   GLU   1           HT2      GLU   1  -6.704  17.615   1.683
    3    H3   GLU   1           HT3      GLU   1  -7.630  17.485   0.272
    4    HA   GLU   1           HA       GLU   1  -8.112  15.712   1.793
    5    HB2  GLU   1           HB2      GLU   1  -7.658  13.797   0.413
    6    HB3  GLU   1           HB1      GLU   1  -8.136  15.140  -0.636
    7    HG2  GLU   1           HG2      GLU   1  -5.789  15.442  -1.250
    8    HG3  GLU   1           HG1      GLU   1  -5.327  14.167  -0.124
    9    H    HIS   2           H        HIS   2  -7.423  14.083   3.111
   10    HA   HIS   2           HA       HIS   2  -4.627  14.200   3.840
   11    HB2  HIS   2           HB2      HIS   2  -6.948  12.654   5.042
   12    HB3  HIS   2           HB1      HIS   2  -5.309  12.660   5.676
   13    HD1  HIS   2           HD1      HIS   2  -8.473  14.581   5.747
   14    HD2  HIS   2           HD2      HIS   2  -4.487  15.139   6.775
   15    HE1  HIS   2           HE1      HIS   2  -8.408  16.619   7.229
   16    H    CYS   3           H        CYS   3  -3.241  12.704   3.200
   17    HA   CYS   3           HA       CYS   3  -3.838  10.883   1.179
   18    HB2  CYS   3           HB2      CYS   3  -1.564   9.890   1.726
   19    HB3  CYS   3           HB1      CYS   3  -1.584  11.616   1.392
   20    H    ALA   4           H        ALA   4  -4.999   9.129   1.257
   21    HA   ALA   4           HA       ALA   4  -4.964   7.490   3.665
   22    HB1  ALA   4           HB1      ALA   4  -7.430   8.352   2.154
   23    HB2  ALA   4           HB2      ALA   4  -6.958   8.911   3.757
   24    HB3  ALA   4           HB3      ALA   4  -7.396   7.220   3.506
   25    H    ASP   5           H        ASP   5  -5.573   5.351   3.278
   26    HA   ASP   5           HA       ASP   5  -4.505   4.166   0.944
   27    HB2  ASP   5           HB2      ASP   5  -6.477   2.841   2.799
   28    HB3  ASP   5           HB1      ASP   5  -5.252   2.075   1.806
   29    H    GLU   6           H        GLU   6  -5.414   3.260  -0.809
   30    HA   GLU   6           HA       GLU   6  -7.898   4.257  -1.775
   31    HB2  GLU   6           HB2      GLU   6  -5.716   3.473  -3.059
   32    HB3  GLU   6           HB1      GLU   6  -6.372   1.866  -2.884
   33    HG2  GLU   6           HG2      GLU   6  -7.722   4.148  -4.304
   34    HG3  GLU   6           HG1      GLU   6  -6.788   2.870  -5.066
   35    H    LYS   7           H        LYS   7  -9.862   3.322  -1.441
   36    HA   LYS   7           HA       LYS   7  -9.870   1.226   0.544
   37    HB2  LYS   7           HB2      LYS   7 -12.209   1.581   0.952
   38    HB3  LYS   7           HB1      LYS   7 -11.392   3.125   0.917
   39    HG2  LYS   7           HG2      LYS   7 -12.879   2.058  -1.473
   40    HG3  LYS   7           HG1      LYS   7 -13.696   2.919  -0.177
   41    HD2  LYS   7           HD2      LYS   7 -11.436   4.037  -1.862
   42    HD3  LYS   7           HD1      LYS   7 -13.144   4.355  -2.104
   43    HE2  LYS   7           HE2      LYS   7 -11.558   5.080   0.369
   44    HE3  LYS   7           HE1      LYS   7 -12.094   6.187  -0.880
   45    HZ1  LYS   7           HZ1      LYS   7 -14.416   5.604  -0.297
   46    HZ2  LYS   7           HZ2      LYS   7 -13.562   6.296   0.970
   47    HZ3  LYS   7           HZ3      LYS   7 -13.848   4.662   0.979
   48    H    ASN   8           H        ASN   8 -10.351   1.315  -2.772
   49    HA   ASN   8           HA       ASN   8 -11.976  -1.102  -2.824
   50    HB2  ASN   8           HB2      ASN   8 -10.573   0.329  -5.109
   51    HB3  ASN   8           HB1      ASN   8 -11.711  -0.999  -5.291
   52   HD21  ASN   8          HD21      ASN   8 -11.308   2.335  -4.535
   53   HD22  ASN   8          HD22      ASN   8 -12.959   2.826  -4.656
   54    H    PHE   9           H        PHE   9  -8.745  -0.173  -2.808
   55    HA   PHE   9           HA       PHE   9  -7.562  -2.637  -3.752
   56    HB2  PHE   9           HB2      PHE   9  -6.640  -0.238  -3.856
   57    HB3  PHE   9           HB1      PHE   9  -6.273  -0.458  -2.149
   58    HD1  PHE   9           HD1      PHE   9  -5.766  -1.905  -5.470
   59    HD2  PHE   9           HD2      PHE   9  -4.330  -1.559  -1.504
   60    HE1  PHE   9           HE1      PHE   9  -3.764  -3.038  -6.130
   61    HE2  PHE   9           HE2      PHE   9  -2.268  -2.712  -2.151
   62    HZ   PHE   9           HZ       PHE   9  -1.953  -3.448  -4.465
   63    H    ASP  10           H        ASP  10  -6.793  -4.273  -2.403
   64    HA   ASP  10           HA       ASP  10  -7.727  -4.039   0.336
   65    HB2  ASP  10           HB2      ASP  10  -8.152  -6.152  -1.035
   66    HB3  ASP  10           HB1      ASP  10  -6.434  -6.499  -0.844
   67    H    CYS  11           H        CYS  11  -6.390  -2.835   1.390
   68    HA   CYS  11           HA       CYS  11  -3.574  -2.858   0.989
   69    HB2  CYS  11           HB2      CYS  11  -5.249  -1.524   3.119
   70    HB3  CYS  11           HB1      CYS  11  -3.526  -1.259   2.876
   71    H    ARG  12           H        ARG  12  -5.714  -4.649   2.968
   72    HA   ARG  12           HA       ARG  12  -3.810  -5.162   5.063
   73    HB2  ARG  12           HB2      ARG  12  -6.304  -6.732   4.411
   74    HB3  ARG  12           HB1      ARG  12  -5.408  -6.771   5.919
   75    HG2  ARG  12           HG2      ARG  12  -7.105  -4.549   4.820
   76    HG3  ARG  12           HG1      ARG  12  -7.355  -5.497   6.281
   77    HD2  ARG  12           HD2      ARG  12  -5.178  -3.460   5.774
   78    HD3  ARG  12           HD1      ARG  12  -6.545  -3.279   6.862
   79    HE   ARG  12           HE       ARG  12  -5.006  -5.534   7.583
   80   HH11  ARG  12          HH11      ARG  12  -4.922  -1.973   7.723
   81   HH12  ARG  12          HH12      ARG  12  -3.905  -1.936   9.070
   82   HH21  ARG  12          HH21      ARG  12  -3.538  -5.430   9.419
   83   HH22  ARG  12          HH22      ARG  12  -3.106  -3.919  10.047
   84    H    ARG  13           H        ARG  13  -5.105  -6.897   2.329
   85    HA   ARG  13           HA       ARG  13  -3.658  -9.277   2.374
   86    HB2  ARG  13           HB2      ARG  13  -5.489  -8.627   0.784
   87    HB3  ARG  13           HB1      ARG  13  -4.335  -7.599  -0.047
   88    HG2  ARG  13           HG2      ARG  13  -2.966  -9.632  -0.487
   89    HG3  ARG  13           HG1      ARG  13  -4.293 -10.595   0.167
   90    HD2  ARG  13           HD2      ARG  13  -4.634 -10.571  -2.185
   91    HD3  ARG  13           HD1      ARG  13  -5.778  -9.414  -1.514
   92    HE   ARG  13           HE       ARG  13  -3.296  -8.212  -2.276
   93   HH11  ARG  13          HH11      ARG  13  -6.485  -9.121  -3.473
   94   HH12  ARG  13          HH12      ARG  13  -6.411  -8.142  -4.859
   95   HH21  ARG  13          HH21      ARG  13  -3.161  -6.888  -4.162
   96   HH22  ARG  13          HH22      ARG  13  -4.449  -6.830  -5.269
   97    H    SER  14           H        SER  14  -2.921  -6.193   0.867
   98    HA   SER  14           HA       SER  14  -0.438  -6.812  -0.207
   99    HB2  SER  14           HB2      SER  14  -1.486  -4.150   0.736
  100    HB3  SER  14           HB1      SER  14  -0.195  -4.404  -0.444
  101    HG   SER  14           HG       SER  14  -2.956  -4.691  -0.747
  102    H    LEU  15           H        LEU  15  -1.307  -5.778   3.034
  103    HA   LEU  15           HA       LEU  15   1.415  -5.295   3.770
  104    HB2  LEU  15           HB2      LEU  15  -0.544  -4.135   4.795
  105    HB3  LEU  15           HB1      LEU  15  -0.977  -5.648   5.555
  106    HG   LEU  15           HG       LEU  15   1.108  -5.643   6.829
  107   HD11  LEU  15          HD11      LEU  15   2.514  -4.487   5.237
  108   HD12  LEU  15          HD12      LEU  15   2.565  -3.662   6.798
  109   HD13  LEU  15          HD13      LEU  15   1.607  -2.993   5.471
  110   HD21  LEU  15          HD21      LEU  15  -0.881  -4.586   7.772
  111   HD22  LEU  15          HD22      LEU  15  -0.415  -3.051   7.031
  112   HD23  LEU  15          HD23      LEU  15   0.592  -3.763   8.294
  113    H    ARG  16           H        ARG  16  -0.887  -7.878   4.151
  114    HA   ARG  16           HA       ARG  16   0.756  -9.502   5.799
  115    HB2  ARG  16           HB2      ARG  16  -1.602 -10.192   4.065
  116    HB3  ARG  16           HB1      ARG  16  -0.812 -11.333   5.141
  117    HG2  ARG  16           HG2      ARG  16  -1.382  -9.942   7.051
  118    HG3  ARG  16           HG1      ARG  16  -2.149  -8.772   5.974
  119    HD2  ARG  16           HD2      ARG  16  -3.775 -10.390   5.289
  120    HD3  ARG  16           HD1      ARG  16  -2.961 -11.661   6.197
  121    HE   ARG  16           HE       ARG  16  -3.934  -9.332   7.633
  122   HH11  ARG  16          HH11      ARG  16  -4.338 -12.775   6.827
  123   HH12  ARG  16          HH12      ARG  16  -5.376 -13.089   8.135
  124   HH21  ARG  16          HH21      ARG  16  -5.392  -9.817   9.461
  125   HH22  ARG  16          HH22      ARG  16  -6.003 -11.405   9.611
  126    H    ASN  17           H        ASN  17   0.334  -9.264   2.325
  127    HA   ASN  17           HA       ASN  17   1.898 -11.576   1.668
  128    HB2  ASN  17           HB2      ASN  17   1.320  -9.103   0.035
  129    HB3  ASN  17           HB1      ASN  17   2.175 -10.502  -0.568
  130   HD21  ASN  17          HD21      ASN  17  -0.130  -9.287  -1.535
  131   HD22  ASN  17          HD22      ASN  17  -1.408 -10.477  -1.535
  132    H    GLY  18           H        GLY  18   2.514  -8.168   1.952
  133    HA2  GLY  18           HA2      GLY  18   4.687  -7.517   2.884
  134    HA3  GLY  18           HA1      GLY  18   5.397  -8.732   1.824
  135    H    ASP  19           H        ASP  19   2.885  -7.376   0.195
  136    HA   ASP  19           HA       ASP  19   4.442  -6.103  -1.797
  137    HB2  ASP  19           HB2      ASP  19   1.543  -5.484  -1.129
  138    HB3  ASP  19           HB1      ASP  19   2.349  -5.138  -2.644
  139    H    CYS  20           H        CYS  20   2.710  -4.997   0.935
  140    HA   CYS  20           HA       CYS  20   3.095  -2.163   0.559
  141    HB2  CYS  20           HB2      CYS  20   1.085  -3.242   1.553
  142    HB3  CYS  20           HB1      CYS  20   2.101  -3.788   2.870
  143    H    ASP  21           H        ASP  21   5.162  -4.560   1.544
  144    HA   ASP  21           HA       ASP  21   6.565  -2.794   3.441
  145    HB2  ASP  21           HB2      ASP  21   5.526  -4.724   4.565
  146    HB3  ASP  21           HB1      ASP  21   6.363  -5.813   3.475
  147    H    ASN  22           H        ASN  22   6.640  -4.329   0.490
  148    HA   ASN  22           HA       ASN  22   9.475  -4.918   0.402
  149    HB2  ASN  22           HB2      ASN  22   7.739  -6.334  -0.755
  150    HB3  ASN  22           HB1      ASN  22   7.417  -4.977  -1.821
  151   HD21  ASN  22          HD21      ASN  22   8.222  -7.539  -2.599
  152   HD22  ASN  22          HD22      ASN  22   9.768  -7.444  -3.363
  153    H    ASP  23           H        ASP  23  10.901  -3.500  -0.199
  154    HA   ASP  23           HA       ASP  23  10.463  -0.803  -0.680
  155    HB2  ASP  23           HB2      ASP  23  12.591  -1.620   0.111
  156    HB3  ASP  23           HB1      ASP  23  12.843  -2.522  -1.375
  157    H    ASP  24           H        ASP  24  10.775  -3.445  -2.930
  158    HA   ASP  24           HA       ASP  24  11.061  -1.886  -5.293
  159    HB2  ASP  24           HB2      ASP  24  11.761  -4.227  -5.213
  160    HB3  ASP  24           HB1      ASP  24  10.096  -4.730  -4.953
  161    H    LYS  25           H        LYS  25   8.300  -2.955  -3.450
  162    HA   LYS  25           HA       LYS  25   6.503  -2.145  -5.584
  163    HB2  LYS  25           HB2      LYS  25   6.138  -3.869  -3.155
  164    HB3  LYS  25           HB1      LYS  25   4.745  -3.146  -3.943
  165    HG2  LYS  25           HG2      LYS  25   5.058  -5.411  -4.648
  166    HG3  LYS  25           HG1      LYS  25   5.351  -4.309  -5.995
  167    HD2  LYS  25           HD2      LYS  25   7.763  -4.563  -5.641
  168    HD3  LYS  25           HD1      LYS  25   7.444  -5.691  -4.321
  169    HE2  LYS  25           HE2      LYS  25   6.367  -7.205  -5.803
  170    HE3  LYS  25           HE1      LYS  25   6.482  -6.052  -7.134
  171    HZ1  LYS  25           HZ1      LYS  25   8.189  -7.701  -7.355
  172    HZ2  LYS  25           HZ2      LYS  25   8.755  -7.439  -5.799
  173    HZ3  LYS  25           HZ3      LYS  25   8.906  -6.215  -6.974
  174    H    LEU  26           H        LEU  26   8.003  -0.597  -3.173
  175    HA   LEU  26           HA       LEU  26   5.868   0.494  -1.729
  176    HB2  LEU  26           HB2      LEU  26   8.686   1.435  -2.006
  177    HB3  LEU  26           HB1      LEU  26   7.513   2.307  -1.043
  178    HG   LEU  26           HG       LEU  26   8.445  -0.525  -0.589
  179   HD11  LEU  26          HD11      LEU  26   9.420   0.379   1.453
  180   HD12  LEU  26          HD12      LEU  26   8.876   1.994   0.999
  181   HD13  LEU  26          HD13      LEU  26  10.091   1.168   0.024
  182   HD21  LEU  26          HD21      LEU  26   7.119  -0.398   1.492
  183   HD22  LEU  26          HD22      LEU  26   6.120  -0.347   0.049
  184   HD23  LEU  26          HD23      LEU  26   6.445   1.139   0.946
  185    H    LEU  27           H        LEU  27   7.342   1.745  -4.744
  186    HA   LEU  27           HA       LEU  27   6.236   4.265  -4.633
  187    HB2  LEU  27           HB2      LEU  27   7.953   3.131  -6.193
  188    HB3  LEU  27           HB1      LEU  27   6.566   2.559  -7.067
  189    HG   LEU  27           HG       LEU  27   7.757   4.421  -7.977
  190   HD11  LEU  27          HD11      LEU  27   4.849   4.978  -7.308
  191   HD12  LEU  27          HD12      LEU  27   5.433   4.023  -8.674
  192   HD13  LEU  27          HD13      LEU  27   5.725   5.763  -8.623
  193   HD21  LEU  27          HD21      LEU  27   7.378   6.712  -7.101
  194   HD22  LEU  27          HD22      LEU  27   8.313   5.678  -6.015
  195   HD23  LEU  27          HD23      LEU  27   6.608   5.993  -5.689
  196    H    GLU  28           H        GLU  28   5.079   1.217  -5.928
  197    HA   GLU  28           HA       GLU  28   2.610   2.150  -6.904
  198    HB2  GLU  28           HB2      GLU  28   3.633   0.067  -7.657
  199    HB3  GLU  28           HB1      GLU  28   3.448  -0.620  -6.052
  200    HG2  GLU  28           HG2      GLU  28   1.073  -0.604  -6.260
  201    HG3  GLU  28           HG1      GLU  28   1.165   0.252  -7.802
  202    H    MET  29           H        MET  29   3.701   1.030  -3.814
  203    HA   MET  29           HA       MET  29   1.015   0.730  -2.854
  204    HB2  MET  29           HB2      MET  29   3.676   0.323  -1.538
  205    HB3  MET  29           HB1      MET  29   2.153   0.146  -0.680
  206    HG2  MET  29           HG2      MET  29   3.095  -1.447  -3.053
  207    HG3  MET  29           HG1      MET  29   2.932  -2.033  -1.405
  208    HE1  MET  29           HE1      MET  29  -1.035  -1.600  -1.008
  209    HE2  MET  29           HE2      MET  29   0.137  -0.292  -0.875
  210    HE3  MET  29          3HE       MET  29   0.489  -1.858  -0.144
  211    H    GLY  30           H        GLY  30   3.184   3.188  -3.131
  212    HA2  GLY  30           HA2      GLY  30   2.397   4.705  -0.839
  213    HA3  GLY  30           HA1      GLY  30   3.279   5.342  -2.215
  214    H    TYR  31           H        TYR  31   1.376   4.568  -4.198
  215    HA   TYR  31           HA       TYR  31  -0.565   6.570  -3.595
  216    HB2  TYR  31           HB2      TYR  31  -1.404   6.263  -5.965
  217    HB3  TYR  31           HB1      TYR  31   0.215   6.908  -5.690
  218    HD1  TYR  31           HD1      TYR  31   2.106   5.849  -6.571
  219    HD2  TYR  31           HD2      TYR  31  -1.682   3.963  -6.856
  220    HE1  TYR  31           HE1      TYR  31   3.042   4.291  -8.166
  221    HE2  TYR  31           HE2      TYR  31  -0.781   2.372  -8.465
  222    HH   TYR  31           HH       TYR  31   2.621   2.086  -9.127
  223    H    TYR  32           H        TYR  32  -0.456   3.270  -3.852
  224    HA   TYR  32           HA       TYR  32  -3.298   2.988  -3.635
  225    HB2  TYR  32           HB2      TYR  32  -1.141   0.919  -3.489
  226    HB3  TYR  32           HB1      TYR  32  -2.782   0.517  -3.003
  227    HD1  TYR  32           HD1      TYR  32  -0.646   0.275  -5.635
  228    HD2  TYR  32           HD2      TYR  32  -4.558   1.633  -4.745
  229    HE1  TYR  32           HE1      TYR  32  -1.282  -0.024  -7.994
  230    HE2  TYR  32           HE2      TYR  32  -5.221   1.351  -7.038
  231    HH   TYR  32           HH       TYR  32  -4.125   1.298  -9.236
  232    H    CYS  33           H        CYS  33  -0.783   2.295  -1.144
  233    HA   CYS  33           HA       CYS  33  -2.928   2.886   0.745
  234    HB2  CYS  33           HB2      CYS  33  -1.033   0.559   1.052
  235    HB3  CYS  33           HB1      CYS  33  -2.386   0.991   2.096
  236    HA   PRO  34           HA       PRO  34   1.041   5.243   1.565
  237    HB2  PRO  34           HB2      PRO  34  -0.238   7.519   2.388
  238    HB3  PRO  34           HB1      PRO  34   0.215   7.192   0.710
  239    HG2  PRO  34           HG2      PRO  34  -2.404   6.723   2.079
  240    HG3  PRO  34           HG1      PRO  34  -2.103   7.504   0.520
  241    HD2  PRO  34           HD2      PRO  34  -2.892   5.001   0.578
  242    HD3  PRO  34           HD1      PRO  34  -1.587   5.471  -0.525
  243    H    VAL  35           H        VAL  35  -1.877   4.706   3.365
  244    HA   VAL  35           HA       VAL  35  -0.615   5.569   5.802
  245    HB   VAL  35           HB       VAL  35  -3.365   4.367   5.457
  246   HG11  VAL  35          HG11      VAL  35  -2.488   4.168   7.739
  247   HG12  VAL  35          HG12      VAL  35  -3.799   5.352   7.672
  248   HG13  VAL  35          3HG1      VAL  35  -2.117   5.890   7.745
  249   HG21  VAL  35          HG21      VAL  35  -3.043   6.410   4.208
  250   HG22  VAL  35          HG22      VAL  35  -2.450   7.217   5.652
  251   HG23  VAL  35          HG23      VAL  35  -4.139   6.687   5.571
  252    H    THR  36           H        THR  36  -1.959   2.601   4.478
  253    HA   THR  36           HA       THR  36  -1.335   0.857   6.576
  254    HB   THR  36           HB       THR  36  -1.347   0.122   3.642
  255    HG1  THR  36           HG1      THR  36  -3.229   1.300   4.166
  256   HG21  THR  36          HG21      THR  36  -2.196  -2.035   4.476
  257   HG22  THR  36          HG22      THR  36  -2.091  -1.435   6.130
  258   HG23  THR  36          HG23      THR  36  -0.624  -1.658   5.177
  259    H    CYS  37           H        CYS  37   0.610   1.882   3.830
  260    HA   CYS  37           HA       CYS  37   2.782   0.157   4.584
  261    HB2  CYS  37           HB2      CYS  37   2.544   2.195   2.394
  262    HB3  CYS  37           HB1      CYS  37   3.876   1.049   2.572
  263    H    GLY  38           H        GLY  38   1.797   2.822   6.018
  264    HA2  GLY  38           HA2      GLY  38   2.856   4.004   7.651
  265    HA3  GLY  38           HA1      GLY  38   4.333   3.163   7.236
  266    H    PHE  39           H        PHE  39   2.808   4.966   4.693
  267    HA   PHE  39           HA       PHE  39   5.035   6.820   4.655
  268    HB2  PHE  39           HB2      PHE  39   2.512   6.768   2.968
  269    HB3  PHE  39           HB1      PHE  39   3.872   7.844   2.704
  270    HD1  PHE  39           HD1      PHE  39   5.951   6.992   1.803
  271    HD2  PHE  39           HD2      PHE  39   2.573   4.499   2.337
  272    HE1  PHE  39           HE1      PHE  39   6.962   5.336   0.288
  273    HE2  PHE  39           HE2      PHE  39   3.583   2.816   0.798
  274    HZ   PHE  39           HZ       PHE  39   5.769   3.246  -0.210
  275    HA   CYS  40           HA       CYS  40   1.849   9.515   6.462
  276    HB2  CYS  40           HB2      CYS  40  -0.611   8.105   5.412
  277    HB3  CYS  40           HB1      CYS  40  -0.563   9.738   6.066
  278    HN1  NH2  41           H1       CYS  40   2.558   8.665   8.438
  279    HN2  NH2  41           H2       CYS  40   1.537   7.718   9.467
  Start of MODEL   12
    1    H1   GLU   1           HT1      GLU   1  -4.500  16.889   0.087
    2    H2   GLU   1           HT2      GLU   1  -5.939  17.731  -0.033
    3    H3   GLU   1           HT3      GLU   1  -5.001  17.462  -1.418
    4    HA   GLU   1           HA       GLU   1  -6.931  15.994  -1.316
    5    HB2  GLU   1           HB2      GLU   1  -5.716  13.825  -1.513
    6    HB3  GLU   1           HB1      GLU   1  -5.011  15.091  -2.496
    7    HG2  GLU   1           HG2      GLU   1  -3.187  15.344  -0.999
    8    HG3  GLU   1           HG1      GLU   1  -3.977  14.353   0.225
    9    H    HIS   2           H        HIS   2  -7.468  13.761  -0.354
   10    HA   HIS   2           HA       HIS   2  -7.353  13.979   2.549
   11    HB2  HIS   2           HB2      HIS   2  -9.169  12.397   0.704
   12    HB3  HIS   2           HB1      HIS   2  -9.202  12.245   2.454
   13    HD1  HIS   2           HD1      HIS   2 -10.503  14.058   3.749
   14    HD2  HIS   2           HD2      HIS   2 -10.145  14.855  -0.311
   15    HE1  HIS   2           HE1      HIS   2 -12.049  15.974   3.280
   16    H    CYS   3           H        CYS   3  -5.768  12.863   3.394
   17    HA   CYS   3           HA       CYS   3  -4.471  10.843   1.813
   18    HB2  CYS   3           HB2      CYS   3  -3.201  12.546   3.047
   19    HB3  CYS   3           HB1      CYS   3  -3.816  11.841   4.555
   20    H    ALA   4           H        ALA   4  -5.661   9.207   1.770
   21    HA   ALA   4           HA       ALA   4  -5.961   7.549   4.144
   22    HB1  ALA   4           HB1      ALA   4  -8.060   8.796   4.066
   23    HB2  ALA   4           HB2      ALA   4  -8.328   7.092   3.703
   24    HB3  ALA   4           HB3      ALA   4  -8.316   8.281   2.399
   25    H    ASP   5           H        ASP   5  -6.007   5.396   3.652
   26    HA   ASP   5           HA       ASP   5  -4.732   4.495   1.316
   27    HB2  ASP   5           HB2      ASP   5  -6.571   2.821   3.021
   28    HB3  ASP   5           HB1      ASP   5  -5.268   2.246   1.998
   29    H    GLU   6           H        GLU   6  -5.485   3.337  -0.485
   30    HA   GLU   6           HA       GLU   6  -7.861   4.438  -1.513
   31    HB2  GLU   6           HB2      GLU   6  -5.816   4.090  -2.837
   32    HB3  GLU   6           HB1      GLU   6  -6.013   2.354  -2.664
   33    HG2  GLU   6           HG2      GLU   6  -6.731   3.242  -4.824
   34    HG3  GLU   6           HG1      GLU   6  -8.003   2.380  -3.949
   35    H    LYS   7           H        LYS   7  -9.661   3.401  -2.207
   36    HA   LYS   7           HA       LYS   7 -10.592   1.307  -0.430
   37    HB2  LYS   7           HB2      LYS   7 -12.781   1.873  -1.267
   38    HB3  LYS   7           HB1      LYS   7 -11.909   3.327  -0.817
   39    HG2  LYS   7           HG2      LYS   7 -11.301   3.504  -3.299
   40    HG3  LYS   7           HG1      LYS   7 -12.569   2.307  -3.557
   41    HD2  LYS   7           HD2      LYS   7 -13.611   4.401  -3.848
   42    HD3  LYS   7           HD1      LYS   7 -14.048   3.804  -2.233
   43    HE2  LYS   7           HE2      LYS   7 -13.481   6.196  -2.166
   44    HE3  LYS   7           HE1      LYS   7 -12.369   5.236  -1.202
   45    HZ1  LYS   7           HZ1      LYS   7 -11.170   6.862  -2.472
   46    HZ2  LYS   7           HZ2      LYS   7 -11.863   6.360  -3.908
   47    HZ3  LYS   7           HZ3      LYS   7 -10.762   5.360  -3.128
   48    H    ASN   8           H        ASN   8  -9.643   1.714  -3.623
   49    HA   ASN   8           HA       ASN   8 -10.877  -0.738  -4.649
   50    HB2  ASN   8           HB2      ASN   8  -8.912   1.100  -6.034
   51    HB3  ASN   8           HB1      ASN   8  -9.833  -0.186  -6.793
   52   HD21  ASN   8          HD21      ASN   8 -12.053   0.150  -7.193
   53   HD22  ASN   8          HD22      ASN   8 -12.720   1.742  -7.167
   54    H    PHE   9           H        PHE   9  -8.439  -0.278  -2.689
   55    HA   PHE   9           HA       PHE   9  -6.755  -2.395  -3.845
   56    HB2  PHE   9           HB2      PHE   9  -5.903   0.047  -3.949
   57    HB3  PHE   9           HB1      PHE   9  -5.726  -0.114  -2.204
   58    HD1  PHE   9           HD1      PHE   9  -3.865  -1.165  -1.307
   59    HD2  PHE   9           HD2      PHE   9  -4.805  -1.627  -5.407
   60    HE1  PHE   9           HE1      PHE   9  -1.718  -2.277  -1.667
   61    HE2  PHE   9           HE2      PHE   9  -2.704  -2.732  -5.796
   62    HZ   PHE   9           HZ       PHE   9  -1.104  -3.052  -3.906
   63    H    ASP  10           H        ASP  10  -6.100  -3.870  -2.244
   64    HA   ASP  10           HA       ASP  10  -7.401  -3.433   0.344
   65    HB2  ASP  10           HB2      ASP  10  -7.960  -5.560  -0.949
   66    HB3  ASP  10           HB1      ASP  10  -6.300  -6.071  -0.649
   67    H    CYS  11           H        CYS  11  -6.062  -2.415   1.550
   68    HA   CYS  11           HA       CYS  11  -3.267  -2.605   1.257
   69    HB2  CYS  11           HB2      CYS  11  -4.994  -1.194   3.252
   70    HB3  CYS  11           HB1      CYS  11  -3.236  -1.020   3.160
   71    H    ARG  12           H        ARG  12  -5.525  -4.233   3.308
   72    HA   ARG  12           HA       ARG  12  -3.575  -4.949   5.291
   73    HB2  ARG  12           HB2      ARG  12  -6.243  -6.223   4.684
   74    HB3  ARG  12           HB1      ARG  12  -5.253  -6.565   6.094
   75    HG2  ARG  12           HG2      ARG  12  -6.492  -3.900   5.440
   76    HG3  ARG  12           HG1      ARG  12  -7.124  -5.075   6.591
   77    HD2  ARG  12           HD2      ARG  12  -5.143  -4.826   7.973
   78    HD3  ARG  12           HD1      ARG  12  -4.414  -3.749   6.782
   79    HE   ARG  12           HE       ARG  12  -6.959  -2.850   7.708
   80   HH11  ARG  12          HH11      ARG  12  -3.527  -2.877   8.560
   81   HH12  ARG  12          HH12      ARG  12  -3.588  -1.420   9.414
   82   HH21  ARG  12          HH21      ARG  12  -7.019  -0.780   8.862
   83   HH22  ARG  12          HH22      ARG  12  -5.587  -0.193   9.557
   84    H    ARG  13           H        ARG  13  -5.107  -6.644   2.592
   85    HA   ARG  13           HA       ARG  13  -3.705  -9.060   2.839
   86    HB2  ARG  13           HB2      ARG  13  -5.707  -8.832   1.449
   87    HB3  ARG  13           HB1      ARG  13  -4.857  -7.739   0.374
   88    HG2  ARG  13           HG2      ARG  13  -3.394  -9.549  -0.329
   89    HG3  ARG  13           HG1      ARG  13  -4.197 -10.647   0.794
   90    HD2  ARG  13           HD2      ARG  13  -5.073 -10.970  -1.442
   91    HD3  ARG  13           HD1      ARG  13  -6.311 -10.289  -0.386
   92    HE   ARG  13           HE       ARG  13  -4.787  -8.422  -2.007
   93   HH11  ARG  13          HH11      ARG  13  -7.830 -10.241  -1.623
   94   HH12  ARG  13          HH12      ARG  13  -8.673  -9.272  -2.751
   95   HH21  ARG  13          HH21      ARG  13  -5.998  -7.160  -3.600
   96   HH22  ARG  13          HH22      ARG  13  -7.628  -7.562  -3.887
   97    H    SER  14           H        SER  14  -2.949  -6.131   1.040
   98    HA   SER  14           HA       SER  14  -0.680  -7.171  -0.269
   99    HB2  SER  14           HB2      SER  14  -1.321  -4.292   0.407
  100    HB3  SER  14           HB1      SER  14  -0.241  -4.855  -0.873
  101    HG   SER  14           HG       SER  14  -3.006  -4.780  -0.772
  102    H    LEU  15           H        LEU  15  -1.109  -5.411   2.784
  103    HA   LEU  15           HA       LEU  15   1.596  -5.081   3.449
  104    HB2  LEU  15           HB2      LEU  15  -0.207  -3.870   4.540
  105    HB3  LEU  15           HB1      LEU  15  -0.844  -5.362   5.192
  106    HG   LEU  15           HG       LEU  15   1.236  -5.608   6.529
  107   HD11  LEU  15          HD11      LEU  15   2.728  -4.270   5.167
  108   HD12  LEU  15          HD12      LEU  15   2.682  -3.679   6.825
  109   HD13  LEU  15          HD13      LEU  15   1.808  -2.815   5.557
  110   HD21  LEU  15          HD21      LEU  15  -0.789  -4.697   7.503
  111   HD22  LEU  15          HD22      LEU  15  -0.342  -3.080   6.955
  112   HD23  LEU  15          HD23      LEU  15   0.638  -3.904   8.169
  113    H    ARG  16           H        ARG  16  -0.733  -7.609   4.210
  114    HA   ARG  16           HA       ARG  16   1.042  -9.138   5.808
  115    HB2  ARG  16           HB2      ARG  16  -1.591  -9.828   4.526
  116    HB3  ARG  16           HB1      ARG  16  -0.724 -10.912   5.604
  117    HG2  ARG  16           HG2      ARG  16  -0.897  -9.281   7.411
  118    HG3  ARG  16           HG1      ARG  16  -1.706  -8.156   6.326
  119    HD2  ARG  16           HD2      ARG  16  -3.298  -9.328   7.778
  120    HD3  ARG  16           HD1      ARG  16  -3.565  -9.688   6.074
  121    HE   ARG  16           HE       ARG  16  -1.876 -11.627   7.121
  122   HH11  ARG  16          HH11      ARG  16  -5.263 -10.611   7.510
  123   HH12  ARG  16          HH12      ARG  16  -5.839 -12.158   7.880
  124   HH21  ARG  16          HH21      ARG  16  -2.687 -13.780   7.687
  125   HH22  ARG  16          HH22      ARG  16  -4.347 -13.986   8.009
  126    H    ASN  17           H        ASN  17   0.368  -9.109   2.395
  127    HA   ASN  17           HA       ASN  17   1.738 -11.603   1.910
  128    HB2  ASN  17           HB2      ASN  17   0.558  -9.544   0.112
  129    HB3  ASN  17           HB1      ASN  17   1.776 -10.642  -0.532
  130   HD21  ASN  17          HD21      ASN  17  -1.333 -10.421   0.924
  131   HD22  ASN  17          HD22      ASN  17  -1.913 -11.973   0.399
  132    H    GLY  18           H        GLY  18   2.582  -8.304   1.884
  133    HA2  GLY  18           HA2      GLY  18   4.952  -7.929   2.594
  134    HA3  GLY  18           HA1      GLY  18   5.368  -9.200   1.462
  135    H    ASP  19           H        ASP  19   2.929  -7.113   0.372
  136    HA   ASP  19           HA       ASP  19   4.423  -6.205  -1.842
  137    HB2  ASP  19           HB2      ASP  19   1.812  -5.303  -0.680
  138    HB3  ASP  19           HB1      ASP  19   2.520  -4.506  -2.077
  139    H    CYS  20           H        CYS  20   3.834  -4.783   1.286
  140    HA   CYS  20           HA       CYS  20   4.892  -2.222   0.424
  141    HB2  CYS  20           HB2      CYS  20   2.938  -2.528   2.062
  142    HB3  CYS  20           HB1      CYS  20   4.131  -3.046   3.237
  143    H    ASP  21           H        ASP  21   6.119  -5.107   1.279
  144    HA   ASP  21           HA       ASP  21   8.592  -4.033   2.476
  145    HB2  ASP  21           HB2      ASP  21   7.494  -5.926   3.661
  146    HB3  ASP  21           HB1      ASP  21   7.600  -6.887   2.195
  147    H    ASN  22           H        ASN  22   7.185  -4.844  -0.365
  148    HA   ASN  22           HA       ASN  22   9.456  -6.084  -1.658
  149    HB2  ASN  22           HB2      ASN  22   7.106  -6.826  -2.089
  150    HB3  ASN  22           HB1      ASN  22   6.757  -5.242  -2.750
  151   HD21  ASN  22          HD21      ASN  22   6.520  -7.829  -3.987
  152   HD22  ASN  22          HD22      ASN  22   7.565  -7.840  -5.357
  153    H    ASP  23           H        ASP  23  11.023  -4.786  -2.376
  154    HA   ASP  23           HA       ASP  23  10.888  -1.999  -2.437
  155    HB2  ASP  23           HB2      ASP  23  12.855  -3.872  -3.712
  156    HB3  ASP  23           HB1      ASP  23  12.979  -2.129  -3.914
  157    H    ASP  24           H        ASP  24  10.306  -4.282  -4.985
  158    HA   ASP  24           HA       ASP  24  10.217  -2.352  -7.082
  159    HB2  ASP  24           HB2      ASP  24   9.056  -5.139  -6.961
  160    HB3  ASP  24           HB1      ASP  24   8.967  -4.108  -8.377
  161    H    LYS  25           H        LYS  25   7.930  -3.331  -4.695
  162    HA   LYS  25           HA       LYS  25   5.818  -1.939  -6.146
  163    HB2  LYS  25           HB2      LYS  25   5.754  -4.088  -4.067
  164    HB3  LYS  25           HB1      LYS  25   4.359  -3.049  -4.307
  165    HG2  LYS  25           HG2      LYS  25   4.064  -5.091  -5.485
  166    HG3  LYS  25           HG1      LYS  25   4.295  -3.768  -6.634
  167    HD2  LYS  25           HD2      LYS  25   6.578  -4.489  -7.024
  168    HD3  LYS  25           HD1      LYS  25   6.404  -5.764  -5.813
  169    HE2  LYS  25           HE2      LYS  25   4.658  -6.790  -7.099
  170    HE3  LYS  25           HE1      LYS  25   4.740  -5.497  -8.294
  171    HZ1  LYS  25           HZ1      LYS  25   5.889  -7.466  -9.051
  172    HZ2  LYS  25           HZ2      LYS  25   6.926  -7.459  -7.728
  173    HZ3  LYS  25           HZ3      LYS  25   6.968  -6.201  -8.870
  174    H    LEU  26           H        LEU  26   8.060  -0.964  -4.092
  175    HA   LEU  26           HA       LEU  26   6.655   0.010  -1.879
  176    HB2  LEU  26           HB2      LEU  26   9.210   0.947  -3.120
  177    HB3  LEU  26           HB1      LEU  26   8.533   1.716  -1.696
  178    HG   LEU  26           HG       LEU  26   9.283  -1.186  -1.893
  179   HD11  LEU  26          HD11      LEU  26  10.674   1.121  -0.525
  180   HD12  LEU  26          HD12      LEU  26  11.240   0.301  -1.980
  181   HD13  LEU  26          HD13      LEU  26  11.170  -0.570  -0.446
  182   HD21  LEU  26          HD21      LEU  26   9.030  -1.134   0.559
  183   HD22  LEU  26          HD22      LEU  26   7.523  -0.833  -0.294
  184   HD23  LEU  26          HD23      LEU  26   8.406   0.511   0.435
  185    H    LEU  27           H        LEU  27   7.317   1.727  -4.944
  186    HA   LEU  27           HA       LEU  27   6.181   4.161  -4.244
  187    HB2  LEU  27           HB2      LEU  27   7.508   3.886  -6.224
  188    HB3  LEU  27           HB1      LEU  27   6.418   2.654  -6.834
  189    HG   LEU  27           HG       LEU  27   4.684   4.381  -6.789
  190   HD11  LEU  27          HD11      LEU  27   5.435   6.743  -7.096
  191   HD12  LEU  27          HD12      LEU  27   7.066   6.235  -6.657
  192   HD13  LEU  27          HD13      LEU  27   5.756   6.103  -5.484
  193   HD21  LEU  27          HD21      LEU  27   5.329   5.232  -9.027
  194   HD22  LEU  27          HD22      LEU  27   5.520   3.491  -8.780
  195   HD23  LEU  27          HD23      LEU  27   6.941   4.542  -8.755
  196    H    GLU  28           H        GLU  28   4.957   1.276  -5.751
  197    HA   GLU  28           HA       GLU  28   2.336   1.959  -6.424
  198    HB2  GLU  28           HB2      GLU  28   3.717  -0.131  -6.984
  199    HB3  GLU  28           HB1      GLU  28   3.256  -0.734  -5.406
  200    HG2  GLU  28           HG2      GLU  28   1.772  -1.750  -6.874
  201    HG3  GLU  28           HG1      GLU  28   0.844  -0.410  -6.203
  202    H    MET  29           H        MET  29   3.803   0.878  -3.460
  203    HA   MET  29           HA       MET  29   1.256   0.401  -2.161
  204    HB2  MET  29           HB2      MET  29   4.091  -0.013  -1.337
  205    HB3  MET  29           HB1      MET  29   2.786  -0.161  -0.166
  206    HG2  MET  29           HG2      MET  29   3.163  -1.744  -2.695
  207    HG3  MET  29           HG1      MET  29   3.391  -2.327  -1.050
  208    HE1  MET  29           HE1      MET  29   1.325  -2.345   0.750
  209    HE2  MET  29           HE2      MET  29  -0.346  -1.995   0.290
  210    HE3  MET  29          3HE       MET  29   0.868  -0.714   0.257
  211    H    GLY  30           H        GLY  30   3.653   2.798  -2.257
  212    HA2  GLY  30           HA2      GLY  30   2.905   4.006   0.206
  213    HA3  GLY  30           HA1      GLY  30   3.944   4.777  -0.956
  214    H    TYR  31           H        TYR  31   1.872   4.479  -3.124
  215    HA   TYR  31           HA       TYR  31   0.271   6.642  -2.086
  216    HB2  TYR  31           HB2      TYR  31  -0.502   7.156  -4.267
  217    HB3  TYR  31           HB1      TYR  31   1.269   7.084  -4.232
  218    HD1  TYR  31           HD1      TYR  31   2.378   5.273  -5.464
  219    HD2  TYR  31           HD2      TYR  31  -1.819   5.808  -5.580
  220    HE1  TYR  31           HE1      TYR  31   2.285   3.917  -7.460
  221    HE2  TYR  31           HE2      TYR  31  -1.968   4.449  -7.566
  222    HH   TYR  31           HH       TYR  31   0.480   2.467  -8.615
  223    H    TYR  32           H        TYR  32  -0.206   3.445  -3.209
  224    HA   TYR  32           HA       TYR  32  -3.019   3.615  -3.047
  225    HB2  TYR  32           HB2      TYR  32  -1.197   1.224  -3.106
  226    HB3  TYR  32           HB1      TYR  32  -2.887   1.006  -2.720
  227    HD1  TYR  32           HD1      TYR  32  -0.597   0.886  -5.274
  228    HD2  TYR  32           HD2      TYR  32  -4.493   2.338  -4.446
  229    HE1  TYR  32           HE1      TYR  32  -1.126   0.791  -7.657
  230    HE2  TYR  32           HE2      TYR  32  -5.038   2.258  -6.831
  231    HH   TYR  32           HH       TYR  32  -2.934   0.706  -9.106
  232    H    CYS  33           H        CYS  33  -0.588   2.699  -0.629
  233    HA   CYS  33           HA       CYS  33  -2.735   2.798   1.366
  234    HB2  CYS  33           HB2      CYS  33  -0.484   0.806   1.300
  235    HB3  CYS  33           HB1      CYS  33  -1.780   0.899   2.489
  236    HA   PRO  34           HA       PRO  34   1.019   5.443   2.418
  237    HB2  PRO  34           HB2      PRO  34  -0.366   7.713   3.025
  238    HB3  PRO  34           HB1      PRO  34   0.252   7.341   1.412
  239    HG2  PRO  34           HG2      PRO  34  -2.509   6.986   2.509
  240    HG3  PRO  34           HG1      PRO  34  -2.003   7.595   0.926
  241    HD2  PRO  34           HD2      PRO  34  -2.873   5.080   1.283
  242    HD3  PRO  34           HD1      PRO  34  -1.625   5.487   0.089
  243    H    VAL  35           H        VAL  35  -2.100   4.916   3.852
  244    HA   VAL  35           HA       VAL  35  -1.226   5.855   6.427
  245    HB   VAL  35           HB       VAL  35  -3.932   4.807   5.590
  246   HG11  VAL  35          HG11      VAL  35  -3.053   6.237   8.098
  247   HG12  VAL  35          HG12      VAL  35  -3.539   4.545   7.987
  248   HG13  VAL  35          3HG1      VAL  35  -4.721   5.825   7.688
  249   HG21  VAL  35          HG21      VAL  35  -2.905   7.599   5.992
  250   HG22  VAL  35          HG22      VAL  35  -4.571   7.168   5.574
  251   HG23  VAL  35          HG23      VAL  35  -3.234   6.826   4.451
  252    H    THR  36           H        THR  36  -2.461   2.850   5.010
  253    HA   THR  36           HA       THR  36  -2.268   1.292   7.320
  254    HB   THR  36           HB       THR  36  -2.091   0.432   4.425
  255    HG1  THR  36           HG1      THR  36  -4.057   1.502   5.300
  256   HG21  THR  36          HG21      THR  36  -2.732  -1.829   5.198
  257   HG22  THR  36          HG22      THR  36  -2.637  -1.285   6.871
  258   HG23  THR  36          HG23      THR  36  -1.181  -1.346   5.879
  259    H    CYS  37           H        CYS  37   0.280   1.959   4.906
  260    HA   CYS  37           HA       CYS  37   2.054   0.174   6.274
  261    HB2  CYS  37           HB2      CYS  37   2.574   2.214   4.132
  262    HB3  CYS  37           HB1      CYS  37   3.834   1.204   4.827
  263    H    GLY  38           H        GLY  38   1.163   3.451   6.714
  264    HA2  GLY  38           HA2      GLY  38   1.661   4.607   8.698
  265    HA3  GLY  38           HA1      GLY  38   3.061   3.575   8.921
  266    H    PHE  39           H        PHE  39   2.211   5.416   6.035
  267    HA   PHE  39           HA       PHE  39   4.714   6.940   6.286
  268    HB2  PHE  39           HB2      PHE  39   2.662   6.912   4.060
  269    HB3  PHE  39           HB1      PHE  39   4.203   7.739   4.026
  270    HD1  PHE  39           HD1      PHE  39   6.290   6.345   3.997
  271    HD2  PHE  39           HD2      PHE  39   2.428   4.725   3.355
  272    HE1  PHE  39           HE1      PHE  39   7.306   4.418   2.866
  273    HE2  PHE  39           HE2      PHE  39   3.432   2.774   2.220
  274    HZ   PHE  39           HZ       PHE  39   5.872   2.621   1.975
  275    HA   CYS  40           HA       CYS  40   1.276  10.055   6.536
  276    HB2  CYS  40           HB2      CYS  40   0.161   9.079   4.532
  277    HB3  CYS  40           HB1      CYS  40  -0.889   8.184   5.616
  278    HN1  NH2  41           H1       CYS  40   1.461  10.104   8.754
  279    HN2  NH2  41           H2       CYS  40   0.371   9.332   9.846
  Start of MODEL   13
    1    H1   GLU   1           HT1      GLU   1  -4.670  15.314  -1.248
    2    H2   GLU   1           HT2      GLU   1  -3.655  14.065  -1.705
    3    H3   GLU   1           HT3      GLU   1  -3.233  15.659  -2.057
    4    HA   GLU   1           HA       GLU   1  -1.899  14.885  -0.281
    5    HB2  GLU   1           HB2      GLU   1  -2.354  16.575   1.362
    6    HB3  GLU   1           HB1      GLU   1  -2.709  17.251  -0.227
    7    HG2  GLU   1           HG2      GLU   1  -5.067  16.962   0.137
    8    HG3  GLU   1           HG1      GLU   1  -4.737  16.078   1.628
    9    H    HIS   2           H        HIS   2  -5.349  14.134   0.083
   10    HA   HIS   2           HA       HIS   2  -5.372  13.608   2.812
   11    HB2  HIS   2           HB2      HIS   2  -7.171  12.646   0.594
   12    HB3  HIS   2           HB1      HIS   2  -7.447  12.273   2.287
   13    HD1  HIS   2           HD1      HIS   2  -9.145  13.827   3.316
   14    HD2  HIS   2           HD2      HIS   2  -6.958  15.675   0.303
   15    HE1  HIS   2           HE1      HIS   2 -10.132  16.103   3.029
   16    H    CYS   3           H        CYS   3  -4.291  12.274   3.760
   17    HA   CYS   3           HA       CYS   3  -3.230   9.921   2.489
   18    HB2  CYS   3           HB2      CYS   3  -2.020  11.363   4.148
   19    HB3  CYS   3           HB1      CYS   3  -3.096  10.657   5.368
   20    H    ALA   4           H        ALA   4  -4.762   8.597   2.087
   21    HA   ALA   4           HA       ALA   4  -5.995   7.079   4.232
   22    HB1  ALA   4           HB1      ALA   4  -7.689   8.804   3.770
   23    HB2  ALA   4           HB2      ALA   4  -8.253   7.215   3.251
   24    HB3  ALA   4           HB3      ALA   4  -7.664   8.374   2.059
   25    H    ASP   5           H        ASP   5  -6.106   4.985   3.694
   26    HA   ASP   5           HA       ASP   5  -4.861   4.016   1.320
   27    HB2  ASP   5           HB2      ASP   5  -6.618   2.453   3.226
   28    HB3  ASP   5           HB1      ASP   5  -5.508   1.780   2.048
   29    H    GLU   6           H        GLU   6  -5.647   3.103  -0.491
   30    HA   GLU   6           HA       GLU   6  -8.149   3.914  -1.501
   31    HB2  GLU   6           HB2      GLU   6  -6.230   3.622  -2.943
   32    HB3  GLU   6           HB1      GLU   6  -6.047   1.955  -2.441
   33    HG2  GLU   6           HG2      GLU   6  -6.931   2.159  -4.702
   34    HG3  GLU   6           HG1      GLU   6  -8.058   1.343  -3.623
   35    H    LYS   7           H        LYS   7 -10.040   2.732  -1.805
   36    HA   LYS   7           HA       LYS   7 -10.410   0.530  -0.003
   37    HB2  LYS   7           HB2      LYS   7 -12.783   0.805  -0.624
   38    HB3  LYS   7           HB1      LYS   7 -12.049   2.246   0.068
   39    HG2  LYS   7           HG2      LYS   7 -11.749   3.108  -2.264
   40    HG3  LYS   7           HG1      LYS   7 -12.679   1.723  -2.829
   41    HD2  LYS   7           HD2      LYS   7 -13.602   3.743  -0.840
   42    HD3  LYS   7           HD1      LYS   7 -14.041   3.768  -2.557
   43    HE2  LYS   7           HE2      LYS   7 -15.043   1.544  -2.266
   44    HE3  LYS   7           HE1      LYS   7 -14.635   1.619  -0.553
   45    HZ1  LYS   7           HZ1      LYS   7 -16.931   2.236  -0.908
   46    HZ2  LYS   7           HZ2      LYS   7 -16.469   3.454  -1.988
   47    HZ3  LYS   7           HZ3      LYS   7 -16.062   3.582  -0.367
   48    H    ASN   8           H        ASN   8  -9.962   1.118  -3.265
   49    HA   ASN   8           HA       ASN   8 -11.089  -1.394  -4.271
   50    HB2  ASN   8           HB2      ASN   8  -9.585   0.829  -5.661
   51    HB3  ASN   8           HB1      ASN   8 -10.194  -0.605  -6.480
   52   HD21  ASN   8          HD21      ASN   8 -11.038   2.369  -4.878
   53   HD22  ASN   8          HD22      ASN   8 -12.666   2.413  -5.410
   54    H    PHE   9           H        PHE   9  -8.664  -1.036  -2.478
   55    HA   PHE   9           HA       PHE   9  -6.907  -2.951  -3.819
   56    HB2  PHE   9           HB2      PHE   9  -6.217  -0.427  -3.936
   57    HB3  PHE   9           HB1      PHE   9  -5.868  -0.646  -2.224
   58    HD1  PHE   9           HD1      PHE   9  -5.131  -1.838  -5.583
   59    HD2  PHE   9           HD2      PHE   9  -3.930  -1.768  -1.528
   60    HE1  PHE   9           HE1      PHE   9  -3.025  -2.793  -6.224
   61    HE2  PHE   9           HE2      PHE   9  -1.771  -2.735  -2.152
   62    HZ   PHE   9           HZ       PHE   9  -1.281  -3.229  -4.495
   63    H    ASP  10           H        ASP  10  -6.471  -4.517  -2.240
   64    HA   ASP  10           HA       ASP  10  -7.552  -3.904   0.405
   65    HB2  ASP  10           HB2      ASP  10  -8.055  -6.118  -0.779
   66    HB3  ASP  10           HB1      ASP  10  -6.394  -6.568  -0.412
   67    H    CYS  11           H        CYS  11  -6.154  -2.667   1.411
   68    HA   CYS  11           HA       CYS  11  -3.375  -2.890   1.110
   69    HB2  CYS  11           HB2      CYS  11  -4.915  -1.407   3.239
   70    HB3  CYS  11           HB1      CYS  11  -3.235  -1.171   2.794
   71    H    ARG  12           H        ARG  12  -5.600  -4.302   3.385
   72    HA   ARG  12           HA       ARG  12  -3.604  -5.000   5.296
   73    HB2  ARG  12           HB2      ARG  12  -6.333  -6.204   4.834
   74    HB3  ARG  12           HB1      ARG  12  -5.300  -6.553   6.213
   75    HG2  ARG  12           HG2      ARG  12  -6.516  -3.892   5.515
   76    HG3  ARG  12           HG1      ARG  12  -7.019  -4.993   6.798
   77    HD2  ARG  12           HD2      ARG  12  -4.843  -4.690   7.914
   78    HD3  ARG  12           HD1      ARG  12  -4.314  -3.641   6.604
   79    HE   ARG  12           HE       ARG  12  -6.701  -2.844   8.025
   80   HH11  ARG  12          HH11      ARG  12  -3.220  -2.404   7.631
   81   HH12  ARG  12          HH12      ARG  12  -3.182  -0.888   8.419
   82   HH21  ARG  12          HH21      ARG  12  -6.625  -0.782   9.121
   83   HH22  ARG  12          HH22      ARG  12  -5.140   0.047   9.263
   84    H    ARG  13           H        ARG  13  -5.228  -6.769   2.739
   85    HA   ARG  13           HA       ARG  13  -3.815  -9.179   2.919
   86    HB2  ARG  13           HB2      ARG  13  -5.807  -8.829   1.485
   87    HB3  ARG  13           HB1      ARG  13  -4.850  -7.805   0.436
   88    HG2  ARG  13           HG2      ARG  13  -3.471  -9.693  -0.198
   89    HG3  ARG  13           HG1      ARG  13  -4.371 -10.738   0.903
   90    HD2  ARG  13           HD2      ARG  13  -5.175 -11.015  -1.381
   91    HD3  ARG  13           HD1      ARG  13  -6.421 -10.298  -0.362
   92    HE   ARG  13           HE       ARG  13  -4.764  -8.465  -1.884
   93   HH11  ARG  13          HH11      ARG  13  -7.881 -10.169  -1.709
   94   HH12  ARG  13          HH12      ARG  13  -8.650  -9.116  -2.810
   95   HH21  ARG  13          HH21      ARG  13  -5.865  -7.067  -3.419
   96   HH22  ARG  13          HH22      ARG  13  -7.507  -7.355  -3.779
   97    H    SER  14           H        SER  14  -3.049  -6.221   1.173
   98    HA   SER  14           HA       SER  14  -0.702  -7.139  -0.073
   99    HB2  SER  14           HB2      SER  14  -1.450  -4.327   0.747
  100    HB3  SER  14           HB1      SER  14  -0.246  -4.756  -0.467
  101    HG   SER  14           HG       SER  14  -3.032  -4.904  -0.565
  102    H    LEU  15           H        LEU  15  -1.318  -5.808   3.114
  103    HA   LEU  15           HA       LEU  15   1.423  -5.463   3.777
  104    HB2  LEU  15           HB2      LEU  15  -0.493  -4.220   4.821
  105    HB3  LEU  15           HB1      LEU  15  -0.942  -5.702   5.636
  106    HG   LEU  15           HG       LEU  15   1.246  -5.676   6.813
  107   HD11  LEU  15          HD11      LEU  15   2.511  -4.404   5.182
  108   HD12  LEU  15          HD12      LEU  15   2.585  -3.628   6.765
  109   HD13  LEU  15          HD13      LEU  15   1.536  -2.974   5.506
  110   HD21  LEU  15          HD21      LEU  15   0.688  -3.849   8.330
  111   HD22  LEU  15          HD22      LEU  15  -0.761  -4.745   7.860
  112   HD23  LEU  15          HD23      LEU  15  -0.410  -3.178   7.125
  113    H    ARG  16           H        ARG  16  -1.027  -7.896   4.367
  114    HA   ARG  16           HA       ARG  16   0.454  -9.634   6.004
  115    HB2  ARG  16           HB2      ARG  16  -1.893 -10.155   4.172
  116    HB3  ARG  16           HB1      ARG  16  -1.264 -11.333   5.316
  117    HG2  ARG  16           HG2      ARG  16  -1.865  -9.965   7.178
  118    HG3  ARG  16           HG1      ARG  16  -2.237  -8.605   6.123
  119    HD2  ARG  16           HD2      ARG  16  -4.268  -9.675   6.925
  120    HD3  ARG  16           HD1      ARG  16  -4.119  -9.844   5.180
  121    HE   ARG  16           HE       ARG  16  -3.022 -12.099   6.429
  122   HH11  ARG  16          HH11      ARG  16  -6.200 -10.592   5.979
  123   HH12  ARG  16          HH12      ARG  16  -7.065 -12.051   5.961
  124   HH21  ARG  16          HH21      ARG  16  -4.170 -14.089   6.442
  125   HH22  ARG  16          HH22      ARG  16  -5.878 -14.123   6.243
  126    H    ASN  17           H        ASN  17   0.323  -9.298   2.536
  127    HA   ASN  17           HA       ASN  17   1.823 -11.741   2.115
  128    HB2  ASN  17           HB2      ASN  17   0.742  -9.685   0.225
  129    HB3  ASN  17           HB1      ASN  17   1.906 -10.883  -0.319
  130   HD21  ASN  17          HD21      ASN  17  -1.288 -10.365   0.895
  131   HD22  ASN  17          HD22      ASN  17  -1.938 -11.894   0.445
  132    H    GLY  18           H        GLY  18   2.497  -8.270   1.913
  133    HA2  GLY  18           HA2      GLY  18   4.880  -7.881   2.749
  134    HA3  GLY  18           HA1      GLY  18   5.317  -9.024   1.500
  135    H    ASP  19           H        ASP  19   2.819  -7.458   0.204
  136    HA   ASP  19           HA       ASP  19   4.297  -6.135  -1.806
  137    HB2  ASP  19           HB2      ASP  19   1.417  -5.800  -0.962
  138    HB3  ASP  19           HB1      ASP  19   2.099  -5.112  -2.426
  139    H    CYS  20           H        CYS  20   2.797  -5.079   1.110
  140    HA   CYS  20           HA       CYS  20   2.954  -2.272   0.537
  141    HB2  CYS  20           HB2      CYS  20   1.116  -3.301   1.805
  142    HB3  CYS  20           HB1      CYS  20   2.260  -3.792   3.036
  143    H    ASP  21           H        ASP  21   5.180  -4.534   1.687
  144    HA   ASP  21           HA       ASP  21   6.719  -2.434   3.086
  145    HB2  ASP  21           HB2      ASP  21   6.061  -4.283   4.532
  146    HB3  ASP  21           HB1      ASP  21   6.788  -5.436   3.423
  147    H    ASN  22           H        ASN  22   6.511  -4.096   0.290
  148    HA   ASN  22           HA       ASN  22   9.299  -4.678  -0.161
  149    HB2  ASN  22           HB2      ASN  22   7.390  -5.987  -1.168
  150    HB3  ASN  22           HB1      ASN  22   7.054  -4.589  -2.181
  151   HD21  ASN  22          HD21      ASN  22   9.143  -7.224  -1.579
  152   HD22  ASN  22          HD22      ASN  22  10.085  -7.125  -3.014
  153    H    ASP  23           H        ASP  23  10.706  -3.163  -0.630
  154    HA   ASP  23           HA       ASP  23  10.194  -0.454  -0.957
  155    HB2  ASP  23           HB2      ASP  23  12.332  -1.319  -0.205
  156    HB3  ASP  23           HB1      ASP  23  12.646  -1.997  -1.798
  157    H    ASP  24           H        ASP  24  10.702  -2.900  -3.385
  158    HA   ASP  24           HA       ASP  24  10.927  -1.054  -5.552
  159    HB2  ASP  24           HB2      ASP  24  10.605  -4.029  -5.461
  160    HB3  ASP  24           HB1      ASP  24  10.550  -3.150  -6.981
  161    H    LYS  25           H        LYS  25   8.244  -2.206  -3.855
  162    HA   LYS  25           HA       LYS  25   6.503  -1.514  -6.124
  163    HB2  LYS  25           HB2      LYS  25   5.769  -3.044  -3.640
  164    HB3  LYS  25           HB1      LYS  25   4.819  -2.875  -5.114
  165    HG2  LYS  25           HG2      LYS  25   6.449  -4.137  -6.357
  166    HG3  LYS  25           HG1      LYS  25   7.484  -4.240  -4.936
  167    HD2  LYS  25           HD2      LYS  25   6.424  -6.279  -4.976
  168    HD3  LYS  25           HD1      LYS  25   5.526  -5.294  -3.812
  169    HE2  LYS  25           HE2      LYS  25   3.755  -4.888  -5.339
  170    HE3  LYS  25           HE1      LYS  25   4.671  -5.543  -6.691
  171    HZ1  LYS  25           HZ1      LYS  25   4.541  -7.736  -5.537
  172    HZ2  LYS  25           HZ2      LYS  25   3.084  -7.136  -6.075
  173    HZ3  LYS  25           HZ3      LYS  25   3.434  -7.067  -4.446
  174    H    LEU  26           H        LEU  26   7.785  -0.292  -3.438
  175    HA   LEU  26           HA       LEU  26   5.686   0.800  -2.005
  176    HB2  LEU  26           HB2      LEU  26   8.490   1.780  -2.225
  177    HB3  LEU  26           HB1      LEU  26   7.297   2.619  -1.255
  178    HG   LEU  26           HG       LEU  26   8.230  -0.219  -0.863
  179   HD11  LEU  26          HD11      LEU  26   9.856   1.491  -0.200
  180   HD12  LEU  26          HD12      LEU  26   9.187   0.651   1.201
  181   HD13  LEU  26          HD13      LEU  26   8.622   2.269   0.790
  182   HD21  LEU  26          HD21      LEU  26   5.891  -0.045  -0.246
  183   HD22  LEU  26          HD22      LEU  26   6.215   1.421   0.671
  184   HD23  LEU  26          HD23      LEU  26   6.880  -0.120   1.213
  185    H    LEU  27           H        LEU  27   7.061   2.222  -4.980
  186    HA   LEU  27           HA       LEU  27   5.966   4.734  -4.757
  187    HB2  LEU  27           HB2      LEU  27   7.565   3.616  -6.453
  188    HB3  LEU  27           HB1      LEU  27   6.108   3.059  -7.227
  189    HG   LEU  27           HG       LEU  27   7.250   4.927  -8.204
  190   HD11  LEU  27          HD11      LEU  27   5.183   6.251  -8.713
  191   HD12  LEU  27          HD12      LEU  27   4.403   5.485  -7.331
  192   HD13  LEU  27          HD13      LEU  27   4.873   4.512  -8.727
  193   HD21  LEU  27          HD21      LEU  27   6.941   7.195  -7.294
  194   HD22  LEU  27          HD22      LEU  27   7.911   6.156  -6.243
  195   HD23  LEU  27          HD23      LEU  27   6.223   6.483  -5.854
  196    H    GLU  28           H        GLU  28   4.753   1.744  -6.136
  197    HA   GLU  28           HA       GLU  28   2.191   2.668  -6.833
  198    HB2  GLU  28           HB2      GLU  28   3.266   0.714  -7.845
  199    HB3  GLU  28           HB1      GLU  28   3.205  -0.126  -6.308
  200    HG2  GLU  28           HG2      GLU  28   0.815  -0.217  -6.401
  201    HG3  GLU  28           HG1      GLU  28   0.795   0.780  -7.858
  202    H    MET  29           H        MET  29   3.569   1.403  -3.903
  203    HA   MET  29           HA       MET  29   1.009   0.802  -2.750
  204    HB2  MET  29           HB2      MET  29   3.778   0.708  -1.601
  205    HB3  MET  29           HB1      MET  29   2.343   0.322  -0.677
  206    HG2  MET  29           HG2      MET  29   3.376  -1.109  -3.109
  207    HG3  MET  29           HG1      MET  29   3.335  -1.718  -1.456
  208    HE1  MET  29           HE1      MET  29  -0.629  -1.798  -0.901
  209    HE2  MET  29           HE2      MET  29   0.388  -0.370  -0.765
  210    HE3  MET  29          3HE       MET  29   0.948  -1.905  -0.111
  211    H    GLY  30           H        GLY  30   2.991   3.481  -2.976
  212    HA2  GLY  30           HA2      GLY  30   2.100   4.686  -0.537
  213    HA3  GLY  30           HA1      GLY  30   3.002   5.540  -1.757
  214    H    TYR  31           H        TYR  31   1.188   4.986  -3.929
  215    HA   TYR  31           HA       TYR  31  -0.826   6.825  -3.126
  216    HB2  TYR  31           HB2      TYR  31  -1.685   6.722  -5.489
  217    HB3  TYR  31           HB1      TYR  31  -0.049   7.319  -5.222
  218    HD1  TYR  31           HD1      TYR  31  -1.971   4.370  -6.353
  219    HD2  TYR  31           HD2      TYR  31   1.732   6.428  -6.372
  220    HE1  TYR  31           HE1      TYR  31  -1.166   2.884  -8.092
  221    HE2  TYR  31           HE2      TYR  31   2.574   4.952  -8.089
  222    HH   TYR  31           HH       TYR  31   0.482   2.743  -9.766
  223    H    TYR  32           H        TYR  32  -0.688   3.532  -3.747
  224    HA   TYR  32           HA       TYR  32  -3.499   3.217  -3.474
  225    HB2  TYR  32           HB2      TYR  32  -1.301   1.200  -3.660
  226    HB3  TYR  32           HB1      TYR  32  -2.835   0.676  -3.000
  227    HD1  TYR  32           HD1      TYR  32  -1.048   0.798  -5.927
  228    HD2  TYR  32           HD2      TYR  32  -4.893   1.728  -4.399
  229    HE1  TYR  32           HE1      TYR  32  -2.008   0.558  -8.183
  230    HE2  TYR  32           HE2      TYR  32  -5.860   1.492  -6.632
  231    HH   TYR  32           HH       TYR  32  -5.135   1.635  -8.904
  232    H    CYS  33           H        CYS  33  -0.894   2.569  -1.077
  233    HA   CYS  33           HA       CYS  33  -3.020   2.872   0.892
  234    HB2  CYS  33           HB2      CYS  33  -0.933   0.700   1.025
  235    HB3  CYS  33           HB1      CYS  33  -2.288   0.965   2.120
  236    HA   PRO  34           HA       PRO  34   0.731   5.428   1.892
  237    HB2  PRO  34           HB2      PRO  34  -0.636   7.621   2.735
  238    HB3  PRO  34           HB1      PRO  34  -0.231   7.332   1.037
  239    HG2  PRO  34           HG2      PRO  34  -2.786   6.761   2.491
  240    HG3  PRO  34           HG1      PRO  34  -2.565   7.542   0.921
  241    HD2  PRO  34           HD2      PRO  34  -3.251   4.982   1.106
  242    HD3  PRO  34           HD1      PRO  34  -2.134   5.532  -0.160
  243    H    VAL  35           H        VAL  35  -2.161   4.598   3.595
  244    HA   VAL  35           HA       VAL  35  -1.086   5.464   6.118
  245    HB   VAL  35           HB       VAL  35  -3.700   4.044   5.578
  246   HG11  VAL  35          HG11      VAL  35  -4.324   4.803   7.830
  247   HG12  VAL  35          HG12      VAL  35  -2.706   5.480   8.040
  248   HG13  VAL  35          3HG1      VAL  35  -2.915   3.737   7.877
  249   HG21  VAL  35          HG21      VAL  35  -3.063   6.947   6.029
  250   HG22  VAL  35          HG22      VAL  35  -4.689   6.268   5.835
  251   HG23  VAL  35          HG23      VAL  35  -3.521   6.206   4.503
  252    H    THR  36           H        THR  36  -2.152   2.437   4.644
  253    HA   THR  36           HA       THR  36  -1.372   0.757   6.752
  254    HB   THR  36           HB       THR  36  -1.621   0.061   3.821
  255    HG1  THR  36           HG1      THR  36  -3.505   1.036   4.925
  256   HG21  THR  36          HG21      THR  36  -0.474  -1.684   5.127
  257   HG22  THR  36          HG22      THR  36  -2.082  -2.213   4.631
  258   HG23  THR  36          HG23      THR  36  -1.802  -1.680   6.288
  259    H    CYS  37           H        CYS  37   0.442   1.876   3.934
  260    HA   CYS  37           HA       CYS  37   2.681   0.249   4.655
  261    HB2  CYS  37           HB2      CYS  37   2.312   2.278   2.470
  262    HB3  CYS  37           HB1      CYS  37   3.780   1.310   2.670
  263    H    GLY  38           H        GLY  38   1.570   2.870   6.078
  264    HA2  GLY  38           HA2      GLY  38   2.482   4.092   7.755
  265    HA3  GLY  38           HA1      GLY  38   3.967   3.198   7.521
  266    H    PHE  39           H        PHE  39   2.282   5.418   5.302
  267    HA   PHE  39           HA       PHE  39   4.746   6.934   5.172
  268    HB2  PHE  39           HB2      PHE  39   2.127   7.221   3.672
  269    HB3  PHE  39           HB1      PHE  39   3.476   8.334   3.472
  270    HD1  PHE  39           HD1      PHE  39   5.431   7.703   2.243
  271    HD2  PHE  39           HD2      PHE  39   2.288   4.915   2.875
  272    HE1  PHE  39           HE1      PHE  39   6.423   6.228   0.553
  273    HE2  PHE  39           HE2      PHE  39   3.287   3.423   1.166
  274    HZ   PHE  39           HZ       PHE  39   5.348   4.081   0.014
  275    HA   CYS  40           HA       CYS  40   2.261   9.713   7.722
  276    HB2  CYS  40           HB2      CYS  40  -0.544   8.711   7.234
  277    HB3  CYS  40           HB1      CYS  40  -0.046  10.328   7.718
  278    HN1  NH2  41           H1       CYS  40   3.298   8.159   9.269
  279    HN2  NH2  41           H2       CYS  40   2.314   7.457  10.503
  Start of MODEL   14
    1    H1   GLU   1           HT1      GLU   1  -5.226  16.740  -2.234
    2    H2   GLU   1           HT2      GLU   1  -5.724  16.648  -0.634
    3    H3   GLU   1           HT3      GLU   1  -5.949  15.331  -1.674
    4    HA   GLU   1           HA       GLU   1  -3.587  15.025  -1.895
    5    HB2  GLU   1           HB2      GLU   1  -2.009  16.302  -0.647
    6    HB3  GLU   1           HB1      GLU   1  -3.026  17.453  -1.501
    7    HG2  GLU   1           HG2      GLU   1  -4.274  17.903   0.533
    8    HG3  GLU   1           HG1      GLU   1  -3.352  16.648   1.366
    9    H    HIS   2           H        HIS   2  -6.092  14.781   0.258
   10    HA   HIS   2           HA       HIS   2  -4.778  13.993   2.603
   11    HB2  HIS   2           HB2      HIS   2  -7.162  14.656   2.551
   12    HB3  HIS   2           HB1      HIS   2  -7.530  13.261   1.549
   13    HD1  HIS   2           HD1      HIS   2  -8.655  11.471   2.917
   14    HD2  HIS   2           HD2      HIS   2  -5.866  13.619   5.134
   15    HE1  HIS   2           HE1      HIS   2  -8.740  10.538   5.237
   16    H    CYS   3           H        CYS   3  -3.419  12.442   2.629
   17    HA   CYS   3           HA       CYS   3  -3.684  10.208   0.825
   18    HB2  CYS   3           HB2      CYS   3  -1.491   9.452   1.722
   19    HB3  CYS   3           HB1      CYS   3  -1.450  11.094   1.102
   20    H    ALA   4           H        ALA   4  -5.011   8.652   1.269
   21    HA   ALA   4           HA       ALA   4  -4.932   7.392   3.876
   22    HB1  ALA   4           HB1      ALA   4  -7.468   8.248   2.481
   23    HB2  ALA   4           HB2      ALA   4  -6.835   8.940   3.975
   24    HB3  ALA   4           HB3      ALA   4  -7.384   7.262   3.941
   25    H    ASP   5           H        ASP   5  -5.768   5.232   3.754
   26    HA   ASP   5           HA       ASP   5  -4.789   3.812   1.532
   27    HB2  ASP   5           HB2      ASP   5  -6.799   2.792   3.525
   28    HB3  ASP   5           HB1      ASP   5  -5.736   1.829   2.515
   29    H    GLU   6           H        GLU   6  -5.679   3.017  -0.277
   30    HA   GLU   6           HA       GLU   6  -8.143   4.018  -1.168
   31    HB2  GLU   6           HB2      GLU   6  -6.276   3.526  -2.673
   32    HB3  GLU   6           HB1      GLU   6  -6.360   1.829  -2.242
   33    HG2  GLU   6           HG2      GLU   6  -7.343   2.283  -4.406
   34    HG3  GLU   6           HG1      GLU   6  -8.525   1.636  -3.264
   35    H    LYS   7           H        LYS   7 -10.080   3.198  -0.956
   36    HA   LYS   7           HA       LYS   7 -10.421   0.784   0.599
   37    HB2  LYS   7           HB2      LYS   7 -12.767   1.422   0.723
   38    HB3  LYS   7           HB1      LYS   7 -11.700   2.727   1.214
   39    HG2  LYS   7           HG2      LYS   7 -11.985   3.721  -1.047
   40    HG3  LYS   7           HG1      LYS   7 -13.178   2.469  -1.390
   41    HD2  LYS   7           HD2      LYS   7 -14.404   4.357  -0.668
   42    HD3  LYS   7           HD1      LYS   7 -14.358   3.187   0.662
   43    HE2  LYS   7           HE2      LYS   7 -12.598   4.439   1.772
   44    HE3  LYS   7           HE1      LYS   7 -12.536   5.581   0.431
   45    HZ1  LYS   7           HZ1      LYS   7 -14.815   5.154   2.276
   46    HZ2  LYS   7           HZ2      LYS   7 -14.825   6.222   0.972
   47    HZ3  LYS   7           HZ3      LYS   7 -13.791   6.489   2.257
   48    H    ASN   8           H        ASN   8 -10.337   1.662  -2.599
   49    HA   ASN   8           HA       ASN   8 -11.941  -0.610  -3.535
   50    HB2  ASN   8           HB2      ASN   8 -10.333   1.428  -5.116
   51    HB3  ASN   8           HB1      ASN   8 -11.347   0.183  -5.823
   52   HD21  ASN   8          HD21      ASN   8 -13.467   0.604  -3.737
   53   HD22  ASN   8          HD22      ASN   8 -14.232   2.074  -4.200
   54    H    PHE   9           H        PHE   9  -9.343  -0.658  -2.013
   55    HA   PHE   9           HA       PHE   9  -7.844  -2.570  -3.675
   56    HB2  PHE   9           HB2      PHE   9  -6.909  -0.167  -3.548
   57    HB3  PHE   9           HB1      PHE   9  -6.612  -0.521  -1.851
   58    HD1  PHE   9           HD1      PHE   9  -5.966  -1.709  -5.248
   59    HD2  PHE   9           HD2      PHE   9  -4.671  -1.628  -1.224
   60    HE1  PHE   9           HE1      PHE   9  -3.923  -2.755  -5.920
   61    HE2  PHE   9           HE2      PHE   9  -2.565  -2.690  -1.873
   62    HZ   PHE   9           HZ       PHE   9  -2.154  -3.256  -4.228
   63    H    ASP  10           H        ASP  10  -6.818  -4.160  -2.233
   64    HA   ASP  10           HA       ASP  10  -7.888  -4.067   0.506
   65    HB2  ASP  10           HB2      ASP  10  -8.279  -6.158  -0.963
   66    HB3  ASP  10           HB1      ASP  10  -6.566  -6.491  -0.727
   67    H    CYS  11           H        CYS  11  -6.502  -2.854   1.572
   68    HA   CYS  11           HA       CYS  11  -3.734  -2.749   1.047
   69    HB2  CYS  11           HB2      CYS  11  -5.329  -1.720   3.388
   70    HB3  CYS  11           HB1      CYS  11  -3.652  -1.308   3.036
   71    H    ARG  12           H        ARG  12  -5.687  -4.592   3.250
   72    HA   ARG  12           HA       ARG  12  -3.596  -5.383   4.995
   73    HB2  ARG  12           HB2      ARG  12  -6.177  -6.755   4.322
   74    HB3  ARG  12           HB1      ARG  12  -5.086  -7.249   5.603
   75    HG2  ARG  12           HG2      ARG  12  -6.612  -4.666   5.427
   76    HG3  ARG  12           HG1      ARG  12  -6.943  -6.044   6.481
   77    HD2  ARG  12           HD2      ARG  12  -4.544  -4.213   6.539
   78    HD3  ARG  12           HD1      ARG  12  -5.813  -4.328   7.749
   79    HE   ARG  12           HE       ARG  12  -4.747  -6.841   7.610
   80   HH11  ARG  12          HH11      ARG  12  -3.639  -3.600   8.469
   81   HH12  ARG  12          HH12      ARG  12  -2.304  -4.113   9.372
   82   HH21  ARG  12          HH21      ARG  12  -2.854  -7.591   8.861
   83   HH22  ARG  12          HH22      ARG  12  -1.831  -6.436   9.566
   84    H    ARG  13           H        ARG  13  -5.049  -6.811   2.154
   85    HA   ARG  13           HA       ARG  13  -3.589  -9.179   2.074
   86    HB2  ARG  13           HB2      ARG  13  -5.550  -8.666   0.623
   87    HB3  ARG  13           HB1      ARG  13  -4.528  -7.595  -0.321
   88    HG2  ARG  13           HG2      ARG  13  -3.108  -9.490  -0.927
   89    HG3  ARG  13           HG1      ARG  13  -4.145 -10.554   0.016
   90    HD2  ARG  13           HD2      ARG  13  -4.715 -10.707  -2.339
   91    HD3  ARG  13           HD1      ARG  13  -6.045  -9.977  -1.440
   92    HE   ARG  13           HE       ARG  13  -4.324  -8.003  -2.468
   93   HH11  ARG  13          HH11      ARG  13  -6.847 -10.256  -3.557
   94   HH12  ARG  13          HH12      ARG  13  -7.315  -9.255  -4.857
   95   HH21  ARG  13          HH21      ARG  13  -4.979  -6.714  -4.241
   96   HH22  ARG  13          HH22      ARG  13  -6.253  -7.247  -5.251
   97    H    SER  14           H        SER  14  -2.790  -6.045   0.551
   98    HA   SER  14           HA       SER  14  -0.343  -6.962  -0.491
   99    HB2  SER  14           HB2      SER  14  -1.248  -4.157   0.152
  100    HB3  SER  14           HB1      SER  14   0.173  -4.564  -0.815
  101    HG   SER  14           HG       SER  14  -1.090  -5.446  -2.340
  102    H    LEU  15           H        LEU  15  -1.192  -5.761   2.671
  103    HA   LEU  15           HA       LEU  15   1.501  -5.361   3.493
  104    HB2  LEU  15           HB2      LEU  15  -0.409  -4.232   4.569
  105    HB3  LEU  15           HB1      LEU  15  -0.984  -5.775   5.151
  106    HG   LEU  15           HG       LEU  15   0.967  -6.001   6.601
  107   HD11  LEU  15          HD11      LEU  15   2.600  -4.829   5.219
  108   HD12  LEU  15          HD12      LEU  15   2.561  -4.158   6.848
  109   HD13  LEU  15          HD13      LEU  15   1.775  -3.300   5.521
  110   HD21  LEU  15          HD21      LEU  15  -0.375  -3.319   6.847
  111   HD22  LEU  15          HD22      LEU  15   0.469  -4.167   8.138
  112   HD23  LEU  15          HD23      LEU  15  -1.005  -4.851   7.450
  113    H    ARG  16           H        ARG  16  -0.840  -7.949   3.884
  114    HA   ARG  16           HA       ARG  16   0.851  -9.639   5.387
  115    HB2  ARG  16           HB2      ARG  16  -1.516 -10.362   3.659
  116    HB3  ARG  16           HB1      ARG  16  -0.741 -11.440   4.811
  117    HG2  ARG  16           HG2      ARG  16  -1.326  -9.865   6.621
  118    HG3  ARG  16           HG1      ARG  16  -2.174  -8.871   5.441
  119    HD2  ARG  16           HD2      ARG  16  -2.814 -11.739   6.104
  120    HD3  ARG  16           HD1      ARG  16  -3.698 -10.336   6.682
  121    HE   ARG  16           HE       ARG  16  -4.242  -9.889   4.309
  122   HH11  ARG  16          HH11      ARG  16  -3.358 -13.197   5.265
  123   HH12  ARG  16          HH12      ARG  16  -4.309 -13.948   4.084
  124   HH21  ARG  16          HH21      ARG  16  -5.574 -10.944   2.669
  125   HH22  ARG  16          HH22      ARG  16  -5.592 -12.643   2.577
  126    H    ASN  17           H        ASN  17   0.358  -9.257   1.952
  127    HA   ASN  17           HA       ASN  17   2.006 -11.462   1.153
  128    HB2  ASN  17           HB2      ASN  17   0.931  -9.072  -0.259
  129    HB3  ASN  17           HB1      ASN  17   2.245  -9.969  -1.001
  130   HD21  ASN  17          HD21      ASN  17  -1.026 -10.045   0.014
  131   HD22  ASN  17          HD22      ASN  17  -1.494 -11.451  -0.883
  132    H    GLY  18           H        GLY  18   2.600  -8.191   1.987
  133    HA2  GLY  18           HA2      GLY  18   4.737  -7.595   2.911
  134    HA3  GLY  18           HA1      GLY  18   5.472  -8.772   1.830
  135    H    ASP  19           H        ASP  19   3.237  -7.274   0.013
  136    HA   ASP  19           HA       ASP  19   5.113  -5.874  -1.603
  137    HB2  ASP  19           HB2      ASP  19   2.100  -5.571  -1.505
  138    HB3  ASP  19           HB1      ASP  19   3.138  -4.915  -2.761
  139    H    CYS  20           H        CYS  20   3.042  -4.989   0.930
  140    HA   CYS  20           HA       CYS  20   3.121  -2.168   0.784
  141    HB2  CYS  20           HB2      CYS  20   1.526  -3.632   2.060
  142    HB3  CYS  20           HB1      CYS  20   2.834  -3.924   3.194
  143    H    ASP  21           H        ASP  21   5.482  -4.499   1.919
  144    HA   ASP  21           HA       ASP  21   7.050  -2.308   3.106
  145    HB2  ASP  21           HB2      ASP  21   6.430  -4.067   4.744
  146    HB3  ASP  21           HB1      ASP  21   7.198  -5.274   3.725
  147    H    ASN  22           H        ASN  22   6.798  -4.145   0.423
  148    HA   ASN  22           HA       ASN  22   9.563  -4.779   0.005
  149    HB2  ASN  22           HB2      ASN  22   7.847  -6.193  -1.022
  150    HB3  ASN  22           HB1      ASN  22   7.216  -4.814  -1.911
  151   HD21  ASN  22          HD21      ASN  22   9.786  -7.120  -1.683
  152   HD22  ASN  22          HD22      ASN  22  10.493  -6.791  -3.228
  153    H    ASP  23           H        ASP  23  11.051  -3.499  -0.856
  154    HA   ASP  23           HA       ASP  23  10.622  -0.755  -1.106
  155    HB2  ASP  23           HB2      ASP  23  12.950  -2.468  -1.853
  156    HB3  ASP  23           HB1      ASP  23  12.933  -0.756  -2.266
  157    H    ASP  24           H        ASP  24  10.798  -3.145  -3.652
  158    HA   ASP  24           HA       ASP  24  10.722  -1.259  -5.784
  159    HB2  ASP  24           HB2      ASP  24  11.514  -3.522  -6.197
  160    HB3  ASP  24           HB1      ASP  24   9.962  -4.188  -5.716
  161    H    LYS  25           H        LYS  25   8.292  -2.703  -3.782
  162    HA   LYS  25           HA       LYS  25   6.167  -1.753  -5.539
  163    HB2  LYS  25           HB2      LYS  25   5.896  -3.391  -3.005
  164    HB3  LYS  25           HB1      LYS  25   4.665  -3.078  -4.219
  165    HG2  LYS  25           HG2      LYS  25   7.158  -4.668  -4.643
  166    HG3  LYS  25           HG1      LYS  25   5.533  -5.308  -4.387
  167    HD2  LYS  25           HD2      LYS  25   4.787  -4.128  -6.407
  168    HD3  LYS  25           HD1      LYS  25   6.438  -3.564  -6.654
  169    HE2  LYS  25           HE2      LYS  25   5.641  -6.414  -6.446
  170    HE3  LYS  25           HE1      LYS  25   5.845  -5.576  -7.995
  171    HZ1  LYS  25           HZ1      LYS  25   7.971  -6.077  -5.939
  172    HZ2  LYS  25           HZ2      LYS  25   8.184  -5.154  -7.345
  173    HZ3  LYS  25           HZ3      LYS  25   7.847  -6.796  -7.456
  174    H    LEU  26           H        LEU  26   7.966  -0.416  -3.114
  175    HA   LEU  26           HA       LEU  26   6.065   0.594  -1.348
  176    HB2  LEU  26           HB2      LEU  26   8.754   1.699  -2.090
  177    HB3  LEU  26           HB1      LEU  26   7.727   2.445  -0.885
  178    HG   LEU  26           HG       LEU  26   8.813  -0.354  -0.745
  179   HD11  LEU  26          HD11      LEU  26   9.587   2.147   0.769
  180   HD12  LEU  26          HD12      LEU  26  10.553   1.369  -0.480
  181   HD13  LEU  26          HD13      LEU  26  10.245   0.535   1.043
  182   HD21  LEU  26          HD21      LEU  26   6.691  -0.162   0.404
  183   HD22  LEU  26          HD22      LEU  26   7.255   1.279   1.248
  184   HD23  LEU  26          HD23      LEU  26   8.006  -0.283   1.571
  185    H    LEU  27           H        LEU  27   7.228   2.108  -4.360
  186    HA   LEU  27           HA       LEU  27   5.846   4.481  -4.094
  187    HB2  LEU  27           HB2      LEU  27   7.523   4.125  -5.775
  188    HB3  LEU  27           HB1      LEU  27   6.563   2.849  -6.510
  189    HG   LEU  27           HG       LEU  27   4.808   4.525  -6.754
  190   HD11  LEU  27          HD11      LEU  27   5.628   6.298  -5.361
  191   HD12  LEU  27          HD12      LEU  27   5.507   6.890  -7.013
  192   HD13  LEU  27          HD13      LEU  27   7.085   6.459  -6.347
  193   HD21  LEU  27          HD21      LEU  27   7.295   4.708  -8.412
  194   HD22  LEU  27          HD22      LEU  27   5.721   5.366  -8.899
  195   HD23  LEU  27          HD23      LEU  27   5.905   3.633  -8.598
  196    H    GLU  28           H        GLU  28   4.985   1.394  -5.471
  197    HA   GLU  28           HA       GLU  28   2.468   1.934  -6.574
  198    HB2  GLU  28           HB2      GLU  28   3.410  -0.619  -5.264
  199    HB3  GLU  28           HB1      GLU  28   2.118  -0.466  -6.439
  200    HG2  GLU  28           HG2      GLU  28   5.016   0.127  -6.972
  201    HG3  GLU  28           HG1      GLU  28   4.196  -1.378  -7.378
  202    H    MET  29           H        MET  29   3.563   1.188  -3.404
  203    HA   MET  29           HA       MET  29   0.867   0.742  -2.459
  204    HB2  MET  29           HB2      MET  29   3.533   0.330  -1.169
  205    HB3  MET  29           HB1      MET  29   2.020   0.129  -0.293
  206    HG2  MET  29           HG2      MET  29   2.944  -1.392  -2.714
  207    HG3  MET  29           HG1      MET  29   2.784  -2.034  -1.088
  208    HE1  MET  29           HE1      MET  29   0.306  -1.914   0.187
  209    HE2  MET  29           HE2      MET  29  -1.197  -1.591  -0.688
  210    HE3  MET  29          3HE       MET  29  -0.007  -0.307  -0.467
  211    H    GLY  30           H        GLY  30   3.090   3.198  -2.573
  212    HA2  GLY  30           HA2      GLY  30   2.261   4.646  -0.263
  213    HA3  GLY  30           HA1      GLY  30   3.155   5.324  -1.613
  214    H    TYR  31           H        TYR  31   1.311   4.735  -3.665
  215    HA   TYR  31           HA       TYR  31  -0.609   6.724  -2.969
  216    HB2  TYR  31           HB2      TYR  31  -1.407   6.588  -5.355
  217    HB3  TYR  31           HB1      TYR  31   0.234   7.144  -5.030
  218    HD1  TYR  31           HD1      TYR  31  -1.685   4.158  -6.110
  219    HD2  TYR  31           HD2      TYR  31   1.999   6.249  -6.175
  220    HE1  TYR  31           HE1      TYR  31  -0.855   2.617  -7.790
  221    HE2  TYR  31           HE2      TYR  31   2.868   4.721  -7.843
  222    HH   TYR  31           HH       TYR  31   2.466   2.437  -8.726
  223    H    TYR  32           H        TYR  32  -0.606   3.438  -3.428
  224    HA   TYR  32           HA       TYR  32  -3.466   3.245  -3.299
  225    HB2  TYR  32           HB2      TYR  32  -1.369   1.129  -3.342
  226    HB3  TYR  32           HB1      TYR  32  -2.961   0.702  -2.735
  227    HD1  TYR  32           HD1      TYR  32  -4.876   1.908  -4.301
  228    HD2  TYR  32           HD2      TYR  32  -1.064   0.512  -5.562
  229    HE1  TYR  32           HE1      TYR  32  -5.742   1.638  -6.565
  230    HE2  TYR  32           HE2      TYR  32  -1.936   0.238  -7.855
  231    HH   TYR  32           HH       TYR  32  -4.060  -0.056  -8.989
  232    H    CYS  33           H        CYS  33  -1.047   2.268  -0.816
  233    HA   CYS  33           HA       CYS  33  -3.179   2.833   1.093
  234    HB2  CYS  33           HB2      CYS  33  -1.425   0.387   1.194
  235    HB3  CYS  33           HB1      CYS  33  -2.694   0.828   2.336
  236    HA   PRO  34           HA       PRO  34   0.846   4.910   2.033
  237    HB2  PRO  34           HB2      PRO  34  -0.232   7.267   2.857
  238    HB3  PRO  34           HB1      PRO  34   0.109   6.895   1.162
  239    HG2  PRO  34           HG2      PRO  34  -2.469   6.639   2.665
  240    HG3  PRO  34           HG1      PRO  34  -2.190   7.379   1.085
  241    HD2  PRO  34           HD2      PRO  34  -3.159   4.931   1.280
  242    HD3  PRO  34           HD1      PRO  34  -1.965   5.321   0.025
  243    H    VAL  35           H        VAL  35  -2.072   4.458   3.825
  244    HA   VAL  35           HA       VAL  35  -0.836   5.298   6.293
  245    HB   VAL  35           HB       VAL  35  -3.614   4.203   5.828
  246   HG11  VAL  35          HG11      VAL  35  -2.419   5.630   8.196
  247   HG12  VAL  35          HG12      VAL  35  -2.839   3.919   8.139
  248   HG13  VAL  35          3HG1      VAL  35  -4.109   5.148   8.034
  249   HG21  VAL  35          HG21      VAL  35  -3.150   6.264   4.638
  250   HG22  VAL  35          HG22      VAL  35  -2.610   7.018   6.131
  251   HG23  VAL  35          HG23      VAL  35  -4.310   6.549   5.945
  252    H    THR  36           H        THR  36  -2.095   2.384   4.835
  253    HA   THR  36           HA       THR  36  -1.521   0.604   6.928
  254    HB   THR  36           HB       THR  36  -1.552   0.019   3.957
  255    HG1  THR  36           HG1      THR  36  -3.448   1.059   4.573
  256   HG21  THR  36          HG21      THR  36  -2.287  -2.228   4.662
  257   HG22  THR  36          HG22      THR  36  -2.133  -1.747   6.351
  258   HG23  THR  36          HG23      THR  36  -0.701  -1.838   5.324
  259    H    CYS  37           H        CYS  37   0.461   1.698   4.209
  260    HA   CYS  37           HA       CYS  37   2.642   0.008   4.995
  261    HB2  CYS  37           HB2      CYS  37   2.373   2.038   2.803
  262    HB3  CYS  37           HB1      CYS  37   3.790   1.004   3.026
  263    H    GLY  38           H        GLY  38   1.625   2.728   6.373
  264    HA2  GLY  38           HA2      GLY  38   2.628   3.978   8.000
  265    HA3  GLY  38           HA1      GLY  38   4.087   3.050   7.739
  266    H    PHE  39           H        PHE  39   2.409   5.153   5.438
  267    HA   PHE  39           HA       PHE  39   4.793   6.894   5.398
  268    HB2  PHE  39           HB2      PHE  39   2.442   6.785   3.483
  269    HB3  PHE  39           HB1      PHE  39   3.841   7.830   3.321
  270    HD1  PHE  39           HD1      PHE  39   6.024   6.863   2.730
  271    HD2  PHE  39           HD2      PHE  39   2.478   4.556   2.818
  272    HE1  PHE  39           HE1      PHE  39   7.123   5.160   1.339
  273    HE2  PHE  39           HE2      PHE  39   3.578   2.825   1.401
  274    HZ   PHE  39           HZ       PHE  39   5.896   3.139   0.676
  275    HA   CYS  40           HA       CYS  40   1.323   9.513   6.754
  276    HB2  CYS  40           HB2      CYS  40  -0.933   8.033   5.386
  277    HB3  CYS  40           HB1      CYS  40  -1.006   9.683   6.004
  278    HN1  NH2  41           H1       CYS  40   1.417   9.225   8.860
  279    HN2  NH2  41           H2       CYS  40   0.487   8.118   9.797
  Start of MODEL   15
    1    H1   GLU   1           HT1      GLU   1  -1.640  10.044  -2.460
    2    H2   GLU   1           HT2      GLU   1  -1.350  11.000  -3.818
    3    H3   GLU   1           HT3      GLU   1  -2.751  11.195  -2.910
    4    HA   GLU   1           HA       GLU   1  -0.016  11.646  -1.875
    5    HB2  GLU   1           HB2      GLU   1  -0.718  13.406  -3.482
    6    HB3  GLU   1           HB1      GLU   1  -2.152  13.623  -2.455
    7    HG2  GLU   1           HG2      GLU   1  -0.873  14.336  -0.627
    8    HG3  GLU   1           HG1      GLU   1   0.638  13.981  -1.444
    9    H    HIS   2           H        HIS   2  -3.430  12.554  -1.377
   10    HA   HIS   2           HA       HIS   2  -3.141  13.055   1.355
   11    HB2  HIS   2           HB2      HIS   2  -5.613  12.270  -0.212
   12    HB3  HIS   2           HB1      HIS   2  -5.613  12.941   1.412
   13    HD1  HIS   2           HD1      HIS   2  -5.869  13.946  -2.075
   14    HD2  HIS   2           HD2      HIS   2  -4.484  15.654   1.450
   15    HE1  HIS   2           HE1      HIS   2  -5.790  16.418  -2.484
   16    H    CYS   3           H        CYS   3  -2.492  11.653   2.594
   17    HA   CYS   3           HA       CYS   3  -2.610   8.909   2.229
   18    HB2  CYS   3           HB2      CYS   3  -1.803   8.537   4.495
   19    HB3  CYS   3           HB1      CYS   3  -0.927   9.835   3.710
   20    H    ALA   4           H        ALA   4  -4.528   8.257   1.670
   21    HA   ALA   4           HA       ALA   4  -6.196   7.332   3.851
   22    HB1  ALA   4           HB1      ALA   4  -8.216   7.825   2.487
   23    HB2  ALA   4           HB2      ALA   4  -7.200   8.673   1.322
   24    HB3  ALA   4           HB3      ALA   4  -7.372   9.301   2.961
   25    H    ASP   5           H        ASP   5  -6.250   5.193   3.599
   26    HA   ASP   5           HA       ASP   5  -5.092   3.872   1.391
   27    HB2  ASP   5           HB2      ASP   5  -7.049   2.666   3.361
   28    HB3  ASP   5           HB1      ASP   5  -5.897   1.796   2.359
   29    H    GLU   6           H        GLU   6  -5.883   2.936  -0.393
   30    HA   GLU   6           HA       GLU   6  -8.153   4.121  -1.585
   31    HB2  GLU   6           HB2      GLU   6  -5.895   3.031  -2.524
   32    HB3  GLU   6           HB1      GLU   6  -6.934   1.630  -2.686
   33    HG2  GLU   6           HG2      GLU   6  -7.333   4.322  -3.986
   34    HG3  GLU   6           HG1      GLU   6  -6.793   2.852  -4.777
   35    H    LYS   7           H        LYS   7 -10.147   3.314  -1.941
   36    HA   LYS   7           HA       LYS   7 -11.078   1.423  -0.029
   37    HB2  LYS   7           HB2      LYS   7 -13.318   1.951  -0.918
   38    HB3  LYS   7           HB1      LYS   7 -12.402   3.313  -0.290
   39    HG2  LYS   7           HG2      LYS   7 -11.810   3.940  -2.591
   40    HG3  LYS   7           HG1      LYS   7 -12.778   2.591  -3.186
   41    HD2  LYS   7           HD2      LYS   7 -14.093   4.595  -3.320
   42    HD3  LYS   7           HD1      LYS   7 -14.701   3.521  -2.046
   43    HE2  LYS   7           HE2      LYS   7 -14.702   5.886  -1.360
   44    HE3  LYS   7           HE1      LYS   7 -13.687   4.895  -0.325
   45    HZ1  LYS   7           HZ1      LYS   7 -11.740   5.767  -1.461
   46    HZ2  LYS   7           HZ2      LYS   7 -12.675   7.054  -0.948
   47    HZ3  LYS   7           HZ3      LYS   7 -12.690   6.596  -2.554
   48    H    ASN   8           H        ASN   8 -10.416   1.161  -3.348
   49    HA   ASN   8           HA       ASN   8 -11.883  -1.376  -3.378
   50    HB2  ASN   8           HB2      ASN   8 -10.784   0.278  -5.650
   51    HB3  ASN   8           HB1      ASN   8 -11.366  -1.366  -5.882
   52   HD21  ASN   8          HD21      ASN   8 -13.552  -1.770  -5.745
   53   HD22  ASN   8          HD22      ASN   8 -14.744  -0.523  -5.758
   54    H    PHE   9           H        PHE   9  -8.958  -0.336  -2.611
   55    HA   PHE   9           HA       PHE   9  -7.495  -2.634  -3.725
   56    HB2  PHE   9           HB2      PHE   9  -6.681  -0.166  -3.799
   57    HB3  PHE   9           HB1      PHE   9  -6.343  -0.403  -2.084
   58    HD1  PHE   9           HD1      PHE   9  -4.334  -1.380  -1.435
   59    HD2  PHE   9           HD2      PHE   9  -5.735  -1.833  -5.407
   60    HE1  PHE   9           HE1      PHE   9  -2.220  -2.457  -2.054
   61    HE2  PHE   9           HE2      PHE   9  -3.672  -2.902  -6.047
   62    HZ   PHE   9           HZ       PHE   9  -1.861  -3.220  -4.366
   63    H    ASP  10           H        ASP  10  -6.628  -4.162  -2.272
   64    HA   ASP  10           HA       ASP  10  -7.754  -3.878   0.414
   65    HB2  ASP  10           HB2      ASP  10  -8.431  -5.919  -0.843
   66    HB3  ASP  10           HB1      ASP  10  -6.741  -6.431  -0.831
   67    H    CYS  11           H        CYS  11  -6.411  -2.907   1.631
   68    HA   CYS  11           HA       CYS  11  -3.619  -2.956   1.307
   69    HB2  CYS  11           HB2      CYS  11  -5.260  -1.949   3.634
   70    HB3  CYS  11           HB1      CYS  11  -3.584  -1.553   3.276
   71    H    ARG  12           H        ARG  12  -5.813  -4.850   3.193
   72    HA   ARG  12           HA       ARG  12  -4.020  -5.848   5.151
   73    HB2  ARG  12           HB2      ARG  12  -6.393  -7.263   3.910
   74    HB3  ARG  12           HB1      ARG  12  -5.600  -7.730   5.402
   75    HG2  ARG  12           HG2      ARG  12  -7.130  -5.176   4.925
   76    HG3  ARG  12           HG1      ARG  12  -7.711  -6.584   5.806
   77    HD2  ARG  12           HD2      ARG  12  -5.954  -6.277   7.473
   78    HD3  ARG  12           HD1      ARG  12  -5.336  -4.891   6.575
   79    HE   ARG  12           HE       ARG  12  -8.052  -4.510   7.139
   80   HH11  ARG  12          HH11      ARG  12  -4.968  -4.594   8.873
   81   HH12  ARG  12          HH12      ARG  12  -5.442  -3.455  10.034
   82   HH21  ARG  12          HH21      ARG  12  -8.688  -2.930   8.743
   83   HH22  ARG  12          HH22      ARG  12  -7.586  -2.489   9.963
   84    H    ARG  13           H        ARG  13  -5.028  -7.118   2.011
   85    HA   ARG  13           HA       ARG  13  -3.430  -9.402   1.930
   86    HB2  ARG  13           HB2      ARG  13  -5.268  -9.018   0.353
   87    HB3  ARG  13           HB1      ARG  13  -4.402  -7.666  -0.356
   88    HG2  ARG  13           HG2      ARG  13  -2.646  -9.191  -1.123
   89    HG3  ARG  13           HG1      ARG  13  -3.519 -10.546  -0.420
   90    HD2  ARG  13           HD2      ARG  13  -3.914 -10.436  -2.816
   91    HD3  ARG  13           HD1      ARG  13  -5.397 -10.110  -1.931
   92    HE   ARG  13           HE       ARG  13  -5.067  -7.741  -2.439
   93   HH11  ARG  13          HH11      ARG  13  -3.090  -9.966  -4.410
   94   HH12  ARG  13          HH12      ARG  13  -3.130  -8.944  -5.770
   95   HH21  ARG  13          HH21      ARG  13  -5.074  -6.401  -4.315
   96   HH22  ARG  13          HH22      ARG  13  -4.283  -6.886  -5.737
   97    H    SER  14           H        SER  14  -2.760  -6.173   0.576
   98    HA   SER  14           HA       SER  14  -0.242  -6.833  -0.428
   99    HB2  SER  14           HB2      SER  14  -1.316  -4.149   0.415
  100    HB3  SER  14           HB1      SER  14   0.048  -4.421  -0.672
  101    HG   SER  14           HG       SER  14  -1.264  -5.033  -2.217
  102    H    LEU  15           H        LEU  15  -1.226  -5.684   2.765
  103    HA   LEU  15           HA       LEU  15   1.375  -5.105   3.705
  104    HB2  LEU  15           HB2      LEU  15  -0.883  -4.343   4.657
  105    HB3  LEU  15           HB1      LEU  15  -1.031  -5.933   5.351
  106    HG   LEU  15           HG       LEU  15  -0.360  -4.197   6.983
  107   HD11  LEU  15          HD11      LEU  15   0.250  -6.471   7.475
  108   HD12  LEU  15          HD12      LEU  15   1.503  -5.358   8.034
  109   HD13  LEU  15          HD13      LEU  15   1.742  -6.289   6.554
  110   HD21  LEU  15          HD21      LEU  15   0.954  -2.765   5.508
  111   HD22  LEU  15          HD22      LEU  15   2.177  -4.022   5.374
  112   HD23  LEU  15          HD23      LEU  15   1.880  -3.245   6.926
  113    H    ARG  16           H        ARG  16  -0.709  -7.954   3.846
  114    HA   ARG  16           HA       ARG  16   1.091  -9.525   5.367
  115    HB2  ARG  16           HB2      ARG  16  -1.290 -10.251   3.698
  116    HB3  ARG  16           HB1      ARG  16  -0.349 -11.446   4.574
  117    HG2  ARG  16           HG2      ARG  16  -0.866 -10.323   6.677
  118    HG3  ARG  16           HG1      ARG  16  -1.793  -9.104   5.799
  119    HD2  ARG  16           HD2      ARG  16  -3.228 -10.850   6.791
  120    HD3  ARG  16           HD1      ARG  16  -3.344 -10.783   5.033
  121    HE   ARG  16           HE       ARG  16  -1.392 -12.624   5.630
  122   HH11  ARG  16          HH11      ARG  16  -4.882 -12.337   6.250
  123   HH12  ARG  16          HH12      ARG  16  -5.160 -14.012   6.202
  124   HH21  ARG  16          HH21      ARG  16  -1.788 -14.941   5.588
  125   HH22  ARG  16          HH22      ARG  16  -3.377 -15.520   5.811
  126    H    ASN  17           H        ASN  17   0.596  -9.204   1.900
  127    HA   ASN  17           HA       ASN  17   2.351 -11.341   1.213
  128    HB2  ASN  17           HB2      ASN  17   1.192  -9.083  -0.374
  129    HB3  ASN  17           HB1      ASN  17   2.464 -10.080  -1.066
  130   HD21  ASN  17          HD21      ASN  17  -0.785 -10.044   0.132
  131   HD22  ASN  17          HD22      ASN  17  -1.272 -11.531  -0.613
  132    H    GLY  18           H        GLY  18   2.847  -7.947   1.746
  133    HA2  GLY  18           HA2      GLY  18   5.085  -7.445   2.678
  134    HA3  GLY  18           HA1      GLY  18   5.724  -8.496   1.431
  135    H    ASP  19           H        ASP  19   3.260  -6.941   0.013
  136    HA   ASP  19           HA       ASP  19   4.878  -5.437  -1.749
  137    HB2  ASP  19           HB2      ASP  19   1.912  -5.255  -1.205
  138    HB3  ASP  19           HB1      ASP  19   2.713  -4.325  -2.459
  139    H    CYS  20           H        CYS  20   3.356  -4.656   1.216
  140    HA   CYS  20           HA       CYS  20   3.520  -1.800   0.865
  141    HB2  CYS  20           HB2      CYS  20   1.615  -2.830   2.013
  142    HB3  CYS  20           HB1      CYS  20   2.682  -3.522   3.209
  143    H    ASP  21           H        ASP  21   5.749  -4.140   1.619
  144    HA   ASP  21           HA       ASP  21   7.440  -2.173   3.039
  145    HB2  ASP  21           HB2      ASP  21   6.885  -4.019   4.532
  146    HB3  ASP  21           HB1      ASP  21   7.382  -5.189   3.321
  147    H    ASN  22           H        ASN  22   6.926  -3.889   0.276
  148    HA   ASN  22           HA       ASN  22   9.645  -4.469  -0.469
  149    HB2  ASN  22           HB2      ASN  22   7.864  -5.975  -1.172
  150    HB3  ASN  22           HB1      ASN  22   7.038  -4.658  -1.987
  151   HD21  ASN  22          HD21      ASN  22   9.719  -6.844  -2.094
  152   HD22  ASN  22          HD22      ASN  22  10.133  -6.561  -3.743
  153    H    ASP  23           H        ASP  23  10.960  -3.105  -1.375
  154    HA   ASP  23           HA       ASP  23  10.564  -0.384  -1.730
  155    HB2  ASP  23           HB2      ASP  23  12.795  -1.356  -1.535
  156    HB3  ASP  23           HB1      ASP  23  12.606  -2.167  -3.076
  157    H    ASP  24           H        ASP  24  10.386  -2.948  -4.069
  158    HA   ASP  24           HA       ASP  24  10.134  -1.252  -6.336
  159    HB2  ASP  24           HB2      ASP  24   9.645  -4.201  -6.000
  160    HB3  ASP  24           HB1      ASP  24   9.488  -3.374  -7.542
  161    H    LYS  25           H        LYS  25   7.891  -2.219  -4.005
  162    HA   LYS  25           HA       LYS  25   5.696  -1.445  -5.810
  163    HB2  LYS  25           HB2      LYS  25   5.554  -3.106  -3.292
  164    HB3  LYS  25           HB1      LYS  25   4.192  -2.707  -4.334
  165    HG2  LYS  25           HG2      LYS  25   6.588  -4.385  -5.016
  166    HG3  LYS  25           HG1      LYS  25   4.963  -4.971  -4.668
  167    HD2  LYS  25           HD2      LYS  25   5.604  -3.093  -6.930
  168    HD3  LYS  25           HD1      LYS  25   5.627  -4.842  -7.052
  169    HE2  LYS  25           HE2      LYS  25   3.218  -3.238  -6.169
  170    HE3  LYS  25           HE1      LYS  25   3.487  -3.772  -7.824
  171    HZ1  LYS  25           HZ1      LYS  25   3.172  -5.577  -5.460
  172    HZ2  LYS  25           HZ2      LYS  25   3.448  -6.066  -7.050
  173    HZ3  LYS  25           HZ3      LYS  25   2.028  -5.279  -6.655
  174    H    LEU  26           H        LEU  26   7.578  -0.298  -3.307
  175    HA   LEU  26           HA       LEU  26   5.765   0.723  -1.503
  176    HB2  LEU  26           HB2      LEU  26   8.499   1.712  -2.190
  177    HB3  LEU  26           HB1      LEU  26   7.518   2.479  -0.961
  178    HG   LEU  26           HG       LEU  26   8.507  -0.371  -0.936
  179   HD11  LEU  26          HD11      LEU  26   9.209   1.996   0.775
  180   HD12  LEU  26          HD12      LEU  26  10.217   1.333  -0.506
  181   HD13  LEU  26          HD13      LEU  26   9.862   0.365   0.931
  182   HD21  LEU  26          HD21      LEU  26   6.841   1.151   1.066
  183   HD22  LEU  26          HD22      LEU  26   7.589  -0.417   1.350
  184   HD23  LEU  26          HD23      LEU  26   6.333  -0.258   0.129
  185    H    LEU  27           H        LEU  27   6.856   2.408  -4.465
  186    HA   LEU  27           HA       LEU  27   5.693   4.843  -3.871
  187    HB2  LEU  27           HB2      LEU  27   7.226   4.544  -5.692
  188    HB3  LEU  27           HB1      LEU  27   6.135   3.403  -6.461
  189    HG   LEU  27           HG       LEU  27   4.495   5.192  -6.496
  190   HD11  LEU  27          HD11      LEU  27   6.914   6.940  -6.014
  191   HD12  LEU  27          HD12      LEU  27   5.475   6.815  -5.003
  192   HD13  LEU  27          HD13      LEU  27   5.366   7.540  -6.606
  193   HD21  LEU  27          HD21      LEU  27   6.939   5.387  -8.202
  194   HD22  LEU  27          HD22      LEU  27   5.364   6.109  -8.608
  195   HD23  LEU  27          HD23      LEU  27   5.527   4.355  -8.412
  196    H    GLU  28           H        GLU  28   4.473   1.993  -5.479
  197    HA   GLU  28           HA       GLU  28   1.923   3.021  -6.138
  198    HB2  GLU  28           HB2      GLU  28   2.889   0.182  -5.833
  199    HB3  GLU  28           HB1      GLU  28   1.351   0.653  -6.556
  200    HG2  GLU  28           HG2      GLU  28   2.481   1.869  -8.273
  201    HG3  GLU  28           HG1      GLU  28   4.036   1.534  -7.516
  202    H    MET  29           H        MET  29   3.297   1.517  -3.397
  203    HA   MET  29           HA       MET  29   0.727   0.980  -2.197
  204    HB2  MET  29           HB2      MET  29   3.525   0.638  -1.162
  205    HB3  MET  29           HB1      MET  29   2.102   0.288  -0.196
  206    HG2  MET  29           HG2      MET  29   2.943  -1.046  -2.755
  207    HG3  MET  29           HG1      MET  29   2.928  -1.757  -1.145
  208    HE1  MET  29           HE1      MET  29  -1.002  -1.657  -0.445
  209    HE2  MET  29           HE2      MET  29   0.098  -0.293  -0.243
  210    HE3  MET  29          3HE       MET  29   0.594  -1.902   0.281
  211    H    GLY  30           H        GLY  30   2.952   3.443  -2.324
  212    HA2  GLY  30           HA2      GLY  30   2.208   4.776   0.081
  213    HA3  GLY  30           HA1      GLY  30   3.118   5.504  -1.227
  214    H    TYR  31           H        TYR  31   0.995   4.731  -3.175
  215    HA   TYR  31           HA       TYR  31  -0.879   6.711  -2.264
  216    HB2  TYR  31           HB2      TYR  31  -1.755   6.853  -4.615
  217    HB3  TYR  31           HB1      TYR  31  -0.125   7.427  -4.285
  218    HD1  TYR  31           HD1      TYR  31  -1.999   4.555  -5.713
  219    HD2  TYR  31           HD2      TYR  31   1.621   6.747  -5.589
  220    HE1  TYR  31           HE1      TYR  31  -1.203   3.329  -7.654
  221    HE2  TYR  31           HE2      TYR  31   2.454   5.545  -7.505
  222    HH   TYR  31           HH       TYR  31   2.098   3.537  -8.777
  223    H    TYR  32           H        TYR  32  -0.811   3.483  -3.304
  224    HA   TYR  32           HA       TYR  32  -3.609   3.174  -3.119
  225    HB2  TYR  32           HB2      TYR  32  -1.423   1.160  -3.326
  226    HB3  TYR  32           HB1      TYR  32  -3.031   0.620  -2.848
  227    HD1  TYR  32           HD1      TYR  32  -1.023   0.832  -5.614
  228    HD2  TYR  32           HD2      TYR  32  -4.892   1.975  -4.303
  229    HE1  TYR  32           HE1      TYR  32  -1.808   0.899  -7.955
  230    HE2  TYR  32           HE2      TYR  32  -5.676   2.050  -6.590
  231    HH   TYR  32           HH       TYR  32  -3.879   0.770  -9.186
  232    H    CYS  33           H        CYS  33  -1.141   2.350  -0.674
  233    HA   CYS  33           HA       CYS  33  -3.342   2.626   1.207
  234    HB2  CYS  33           HB2      CYS  33  -1.348   0.358   1.293
  235    HB3  CYS  33           HB1      CYS  33  -2.598   0.706   2.487
  236    HA   PRO  34           HA       PRO  34   0.497   5.082   2.148
  237    HB2  PRO  34           HB2      PRO  34  -0.827   7.376   2.808
  238    HB3  PRO  34           HB1      PRO  34  -0.291   6.981   1.170
  239    HG2  PRO  34           HG2      PRO  34  -2.979   6.584   2.421
  240    HG3  PRO  34           HG1      PRO  34  -2.592   7.257   0.833
  241    HD2  PRO  34           HD2      PRO  34  -3.406   4.765   1.085
  242    HD3  PRO  34           HD1      PRO  34  -2.118   5.175  -0.065
  243    H    VAL  35           H        VAL  35  -2.513   4.594   3.832
  244    HA   VAL  35           HA       VAL  35  -1.387   5.569   6.296
  245    HB   VAL  35           HB       VAL  35  -4.052   4.186   5.914
  246   HG11  VAL  35          HG11      VAL  35  -3.236   4.126   8.228
  247   HG12  VAL  35          HG12      VAL  35  -4.635   5.191   8.072
  248   HG13  VAL  35          3HG1      VAL  35  -3.010   5.875   8.192
  249   HG21  VAL  35          HG21      VAL  35  -3.893   6.207   4.600
  250   HG22  VAL  35          HG22      VAL  35  -3.345   7.103   6.010
  251   HG23  VAL  35          HG23      VAL  35  -4.990   6.453   5.964
  252    H    THR  36           H        THR  36  -2.392   2.522   4.897
  253    HA   THR  36           HA       THR  36  -1.724   0.830   7.027
  254    HB   THR  36           HB       THR  36  -1.558   0.182   4.080
  255    HG1  THR  36           HG1      THR  36  -3.576   1.121   4.586
  256   HG21  THR  36          HG21      THR  36  -2.182  -2.100   4.816
  257   HG22  THR  36          HG22      THR  36  -2.155  -1.550   6.492
  258   HG23  THR  36          HG23      THR  36  -0.672  -1.561   5.547
  259    H    CYS  37           H        CYS  37   0.208   2.010   4.300
  260    HA   CYS  37           HA       CYS  37   2.537   0.616   5.179
  261    HB2  CYS  37           HB2      CYS  37   2.122   2.638   2.989
  262    HB3  CYS  37           HB1      CYS  37   3.665   1.830   3.290
  263    H    GLY  38           H        GLY  38   1.121   3.255   6.429
  264    HA2  GLY  38           HA2      GLY  38   1.816   4.529   8.198
  265    HA3  GLY  38           HA1      GLY  38   3.370   3.732   8.095
  266    H    PHE  39           H        PHE  39   1.675   5.860   5.771
  267    HA   PHE  39           HA       PHE  39   4.075   7.488   5.803
  268    HB2  PHE  39           HB2      PHE  39   1.695   7.526   3.948
  269    HB3  PHE  39           HB1      PHE  39   2.988   8.724   3.875
  270    HD1  PHE  39           HD1      PHE  39   2.046   5.297   3.183
  271    HD2  PHE  39           HD2      PHE  39   5.246   8.071   3.224
  272    HE1  PHE  39           HE1      PHE  39   3.399   3.758   1.796
  273    HE2  PHE  39           HE2      PHE  39   6.601   6.549   1.849
  274    HZ   PHE  39           HZ       PHE  39   5.673   4.388   1.136
  275    HA   CYS  40           HA       CYS  40   1.863   9.888   8.651
  276    HB2  CYS  40           HB2      CYS  40  -0.387  10.932   8.493
  277    HB3  CYS  40           HB1      CYS  40   0.359  10.796   6.911
  278    HN1  NH2  41           H1       CYS  40   2.041   9.140  10.605
  279    HN2  NH2  41           H2       CYS  40   1.014   7.962  11.337
  Start of MODEL   16
    1    H1   GLU   1           HT1      GLU   1  -1.424  16.649  -2.962
    2    H2   GLU   1           HT2      GLU   1  -0.893  16.371  -1.382
    3    H3   GLU   1           HT3      GLU   1  -2.383  17.097  -1.647
    4    HA   GLU   1           HA       GLU   1  -3.228  15.110  -2.645
    5    HB2  GLU   1           HB2      GLU   1  -1.074  14.319  -3.562
    6    HB3  GLU   1           HB1      GLU   1  -0.495  14.007  -1.934
    7    HG2  GLU   1           HG2      GLU   1  -1.159  11.958  -3.080
    8    HG3  GLU   1           HG1      GLU   1  -2.158  12.262  -1.659
    9    H    HIS   2           H        HIS   2  -4.446  13.870  -1.291
   10    HA   HIS   2           HA       HIS   2  -3.812  14.074   1.567
   11    HB2  HIS   2           HB2      HIS   2  -6.493  13.719   0.188
   12    HB3  HIS   2           HB1      HIS   2  -6.268  13.619   1.929
   13    HD1  HIS   2           HD1      HIS   2  -6.042  15.891   3.220
   14    HD2  HIS   2           HD2      HIS   2  -6.318  16.278  -0.917
   15    HE1  HIS   2           HE1      HIS   2  -6.401  18.316   2.779
   16    H    CYS   3           H        CYS   3  -3.016  12.230   2.350
   17    HA   CYS   3           HA       CYS   3  -3.249   9.933   0.665
   18    HB2  CYS   3           HB2      CYS   3  -1.497   8.945   2.079
   19    HB3  CYS   3           HB1      CYS   3  -1.062  10.529   1.465
   20    H    ALA   4           H        ALA   4  -4.727   8.462   0.845
   21    HA   ALA   4           HA       ALA   4  -5.585   7.498   3.440
   22    HB1  ALA   4           HB1      ALA   4  -7.242   9.230   2.875
   23    HB2  ALA   4           HB2      ALA   4  -7.956   7.617   2.816
   24    HB3  ALA   4           HB3      ALA   4  -7.526   8.445   1.320
   25    H    ASP   5           H        ASP   5  -5.944   5.358   3.362
   26    HA   ASP   5           HA       ASP   5  -4.956   3.789   1.255
   27    HB2  ASP   5           HB2      ASP   5  -6.946   2.861   3.312
   28    HB3  ASP   5           HB1      ASP   5  -5.782   1.873   2.436
   29    H    GLU   6           H        GLU   6  -5.770   3.019  -0.535
   30    HA   GLU   6           HA       GLU   6  -8.294   3.752  -1.527
   31    HB2  GLU   6           HB2      GLU   6  -6.428   3.457  -3.049
   32    HB3  GLU   6           HB1      GLU   6  -6.178   1.817  -2.506
   33    HG2  GLU   6           HG2      GLU   6  -7.169   1.923  -4.690
   34    HG3  GLU   6           HG1      GLU   6  -8.232   1.125  -3.537
   35    H    LYS   7           H        LYS   7 -10.142   2.807  -1.415
   36    HA   LYS   7           HA       LYS   7 -10.578   0.545   0.323
   37    HB2  LYS   7           HB2      LYS   7 -12.932   0.982  -0.021
   38    HB3  LYS   7           HB1      LYS   7 -12.070   2.472   0.340
   39    HG2  LYS   7           HG2      LYS   7 -12.068   3.057  -2.016
   40    HG3  LYS   7           HG1      LYS   7 -12.921   1.562  -2.396
   41    HD2  LYS   7           HD2      LYS   7 -14.554   3.271  -2.325
   42    HD3  LYS   7           HD1      LYS   7 -14.691   2.295  -0.853
   43    HE2  LYS   7           HE2      LYS   7 -14.897   4.675  -0.302
   44    HE3  LYS   7           HE1      LYS   7 -13.446   3.991   0.412
   45    HZ1  LYS   7           HZ1      LYS   7 -12.980   6.141  -0.591
   46    HZ2  LYS   7           HZ2      LYS   7 -13.544   5.625  -2.073
   47    HZ3  LYS   7           HZ3      LYS   7 -12.156   4.959  -1.438
   48    H    ASN   8           H        ASN   8 -10.242   1.093  -2.966
   49    HA   ASN   8           HA       ASN   8 -11.606  -1.347  -3.812
   50    HB2  ASN   8           HB2      ASN   8 -11.606   0.829  -5.130
   51    HB3  ASN   8           HB1      ASN   8  -9.918   0.513  -5.493
   52   HD21  ASN   8          HD21      ASN   8 -13.179  -0.405  -6.064
   53   HD22  ASN   8          HD22      ASN   8 -12.882  -1.421  -7.424
   54    H    PHE   9           H        PHE   9  -8.691  -0.566  -2.553
   55    HA   PHE   9           HA       PHE   9  -7.144  -2.692  -3.911
   56    HB2  PHE   9           HB2      PHE   9  -6.409  -0.212  -3.750
   57    HB3  PHE   9           HB1      PHE   9  -6.135  -0.568  -2.049
   58    HD1  PHE   9           HD1      PHE   9  -4.155  -1.574  -1.376
   59    HD2  PHE   9           HD2      PHE   9  -5.310  -1.632  -5.447
   60    HE1  PHE   9           HE1      PHE   9  -1.963  -2.480  -1.978
   61    HE2  PHE   9           HE2      PHE   9  -3.175  -2.527  -6.074
   62    HZ   PHE   9           HZ       PHE   9  -1.435  -2.944  -4.319
   63    H    ASP  10           H        ASP  10  -6.167  -4.252  -2.455
   64    HA   ASP  10           HA       ASP  10  -7.398  -4.166   0.196
   65    HB2  ASP  10           HB2      ASP  10  -7.695  -6.276  -1.238
   66    HB3  ASP  10           HB1      ASP  10  -5.989  -6.590  -0.916
   67    H    CYS  11           H        CYS  11  -6.209  -3.043   1.428
   68    HA   CYS  11           HA       CYS  11  -3.413  -2.765   1.212
   69    HB2  CYS  11           HB2      CYS  11  -5.267  -1.991   3.468
   70    HB3  CYS  11           HB1      CYS  11  -3.634  -1.396   3.192
   71    H    ARG  12           H        ARG  12  -5.496  -4.879   2.982
   72    HA   ARG  12           HA       ARG  12  -3.642  -5.497   5.070
   73    HB2  ARG  12           HB2      ARG  12  -6.068  -7.060   4.168
   74    HB3  ARG  12           HB1      ARG  12  -5.228  -7.244   5.700
   75    HG2  ARG  12           HG2      ARG  12  -6.767  -4.824   4.777
   76    HG3  ARG  12           HG1      ARG  12  -7.270  -5.990   6.001
   77    HD2  ARG  12           HD2      ARG  12  -5.467  -5.314   7.452
   78    HD3  ARG  12           HD1      ARG  12  -4.801  -4.257   6.207
   79    HE   ARG  12           HE       ARG  12  -7.462  -3.585   6.745
   80   HH11  ARG  12          HH11      ARG  12  -4.308  -3.375   8.315
   81   HH12  ARG  12          HH12      ARG  12  -4.600  -1.895   9.089
   82   HH21  ARG  12          HH21      ARG  12  -7.924  -1.562   7.840
   83   HH22  ARG  12          HH22      ARG  12  -6.731  -0.842   8.813
   84    H    ARG  13           H        ARG  13  -4.808  -7.225   2.220
   85    HA   ARG  13           HA       ARG  13  -3.184  -9.483   2.408
   86    HB2  ARG  13           HB2      ARG  13  -5.122  -9.201   0.882
   87    HB3  ARG  13           HB1      ARG  13  -4.151  -8.112  -0.095
   88    HG2  ARG  13           HG2      ARG  13  -2.558  -9.958  -0.495
   89    HG3  ARG  13           HG1      ARG  13  -3.634 -11.025   0.403
   90    HD2  ARG  13           HD2      ARG  13  -4.333  -9.507  -2.093
   91    HD3  ARG  13           HD1      ARG  13  -3.981 -11.231  -1.992
   92    HE   ARG  13           HE       ARG  13  -6.034 -10.674  -0.220
   93   HH11  ARG  13          HH11      ARG  13  -5.498 -10.739  -3.709
   94   HH12  ARG  13          HH12      ARG  13  -7.139 -10.989  -4.109
   95   HH21  ARG  13          HH21      ARG  13  -8.297 -11.047  -0.787
   96   HH22  ARG  13          HH22      ARG  13  -8.734 -11.160  -2.444
   97    H    SER  14           H        SER  14  -2.650  -6.419   0.740
   98    HA   SER  14           HA       SER  14  -0.209  -7.071  -0.457
   99    HB2  SER  14           HB2      SER  14  -1.179  -4.349   0.444
  100    HB3  SER  14           HB1      SER  14   0.071  -4.658  -0.764
  101    HG   SER  14           HG       SER  14  -2.692  -4.920  -0.928
  102    H    LEU  15           H        LEU  15  -0.919  -5.751   2.744
  103    HA   LEU  15           HA       LEU  15   1.811  -5.402   3.430
  104    HB2  LEU  15           HB2      LEU  15   0.070  -4.098   4.507
  105    HB3  LEU  15           HB1      LEU  15  -0.664  -5.553   5.135
  106    HG   LEU  15           HG       LEU  15   1.222  -5.937   6.614
  107   HD11  LEU  15          HD11      LEU  15   3.036  -4.318   6.799
  108   HD12  LEU  15          HD12      LEU  15   2.393  -3.435   5.408
  109   HD13  LEU  15          HD13      LEU  15   3.001  -5.081   5.210
  110   HD21  LEU  15          HD21      LEU  15   0.268  -3.087   6.737
  111   HD22  LEU  15          HD22      LEU  15   0.963  -4.012   8.069
  112   HD23  LEU  15          HD23      LEU  15  -0.588  -4.490   7.374
  113    H    ARG  16           H        ARG  16  -0.628  -7.830   4.166
  114    HA   ARG  16           HA       ARG  16   0.836  -9.547   5.781
  115    HB2  ARG  16           HB2      ARG  16  -1.286 -10.197   3.742
  116    HB3  ARG  16           HB1      ARG  16  -0.649 -11.365   4.886
  117    HG2  ARG  16           HG2      ARG  16  -1.499 -10.097   6.734
  118    HG3  ARG  16           HG1      ARG  16  -2.007  -8.798   5.652
  119    HD2  ARG  16           HD2      ARG  16  -3.579 -10.281   4.560
  120    HD3  ARG  16           HD1      ARG  16  -3.043 -11.626   5.569
  121    HE   ARG  16           HE       ARG  16  -3.784  -9.849   7.383
  122   HH11  ARG  16          HH11      ARG  16  -5.510 -10.838   4.428
  123   HH12  ARG  16          HH12      ARG  16  -7.038 -10.783   5.133
  124   HH21  ARG  16          HH21      ARG  16  -5.931  -9.778   8.353
  125   HH22  ARG  16          HH22      ARG  16  -7.297 -10.173   7.416
  126    H    ASN  17           H        ASN  17   0.604  -9.566   2.238
  127    HA   ASN  17           HA       ASN  17   2.321 -11.793   1.809
  128    HB2  ASN  17           HB2      ASN  17   1.802  -9.465  -0.068
  129    HB3  ASN  17           HB1      ASN  17   2.513 -11.006  -0.509
  130   HD21  ASN  17          HD21      ASN  17   0.545 -12.373   1.306
  131   HD22  ASN  17          HD22      ASN  17  -0.919 -12.379   0.397
  132    H    GLY  18           H        GLY  18   2.789  -8.422   2.127
  133    HA2  GLY  18           HA2      GLY  18   4.824  -7.592   3.136
  134    HA3  GLY  18           HA1      GLY  18   5.692  -8.868   2.291
  135    H    ASP  19           H        ASP  19   3.469  -7.743   0.175
  136    HA   ASP  19           HA       ASP  19   5.528  -6.553  -1.377
  137    HB2  ASP  19           HB2      ASP  19   2.632  -7.017  -1.914
  138    HB3  ASP  19           HB1      ASP  19   3.552  -5.943  -2.962
  139    H    CYS  20           H        CYS  20   3.275  -5.322   0.782
  140    HA   CYS  20           HA       CYS  20   3.242  -2.748  -0.338
  141    HB2  CYS  20           HB2      CYS  20   1.424  -3.485   1.116
  142    HB3  CYS  20           HB1      CYS  20   2.538  -3.584   2.473
  143    H    ASP  21           H        ASP  21   5.410  -4.427   1.765
  144    HA   ASP  21           HA       ASP  21   6.816  -1.948   2.476
  145    HB2  ASP  21           HB2      ASP  21   6.265  -3.505   4.331
  146    HB3  ASP  21           HB1      ASP  21   7.171  -4.776   3.525
  147    H    ASN  22           H        ASN  22   6.698  -4.161   0.180
  148    HA   ASN  22           HA       ASN  22   9.470  -4.629  -0.373
  149    HB2  ASN  22           HB2      ASN  22   7.891  -6.343  -1.015
  150    HB3  ASN  22           HB1      ASN  22   6.901  -5.167  -1.858
  151   HD21  ASN  22          HD21      ASN  22   6.987  -6.745  -3.581
  152   HD22  ASN  22          HD22      ASN  22   8.347  -6.777  -4.642
  153    H    ASP  23           H        ASP  23  10.752  -3.473  -1.590
  154    HA   ASP  23           HA       ASP  23  10.362  -0.770  -2.096
  155    HB2  ASP  23           HB2      ASP  23  12.358  -2.696  -3.259
  156    HB3  ASP  23           HB1      ASP  23  12.386  -0.974  -3.612
  157    H    ASP  24           H        ASP  24   9.823  -3.471  -4.106
  158    HA   ASP  24           HA       ASP  24   9.561  -2.227  -6.596
  159    HB2  ASP  24           HB2      ASP  24   9.822  -4.624  -6.346
  160    HB3  ASP  24           HB1      ASP  24   8.277  -4.733  -5.524
  161    H    LYS  25           H        LYS  25   7.224  -2.481  -3.938
  162    HA   LYS  25           HA       LYS  25   5.301  -1.120  -5.673
  163    HB2  LYS  25           HB2      LYS  25   4.804  -2.852  -3.263
  164    HB3  LYS  25           HB1      LYS  25   3.592  -1.764  -3.907
  165    HG2  LYS  25           HG2      LYS  25   3.061  -3.847  -4.759
  166    HG3  LYS  25           HG1      LYS  25   3.882  -2.994  -6.071
  167    HD2  LYS  25           HD2      LYS  25   5.901  -4.218  -5.653
  168    HD3  LYS  25           HD1      LYS  25   5.175  -5.003  -4.245
  169    HE2  LYS  25           HE2      LYS  25   3.483  -6.004  -5.671
  170    HE3  LYS  25           HE1      LYS  25   4.203  -5.227  -7.081
  171    HZ1  LYS  25           HZ1      LYS  25   6.235  -6.462  -6.641
  172    HZ2  LYS  25           HZ2      LYS  25   4.910  -7.479  -6.933
  173    HZ3  LYS  25           HZ3      LYS  25   5.460  -7.290  -5.357
  174    H    LEU  26           H        LEU  26   7.514  -0.203  -3.466
  175    HA   LEU  26           HA       LEU  26   6.127   1.083  -1.445
  176    HB2  LEU  26           HB2      LEU  26   8.764   1.804  -2.661
  177    HB3  LEU  26           HB1      LEU  26   8.087   2.709  -1.325
  178    HG   LEU  26           HG       LEU  26   8.746  -0.231  -1.276
  179   HD11  LEU  26          HD11      LEU  26  10.129   2.129   0.011
  180   HD12  LEU  26          HD12      LEU  26  10.741   1.216  -1.364
  181   HD13  LEU  26          HD13      LEU  26  10.578   0.436   0.212
  182   HD21  LEU  26          HD21      LEU  26   8.363  -0.017   1.151
  183   HD22  LEU  26          HD22      LEU  26   6.908   0.272   0.210
  184   HD23  LEU  26          HD23      LEU  26   7.794   1.634   0.897
  185    H    LEU  27           H        LEU  27   7.010   2.669  -4.548
  186    HA   LEU  27           HA       LEU  27   5.947   5.162  -3.930
  187    HB2  LEU  27           HB2      LEU  27   7.405   4.785  -5.813
  188    HB3  LEU  27           HB1      LEU  27   6.237   3.668  -6.509
  189    HG   LEU  27           HG       LEU  27   4.668   5.539  -6.475
  190   HD11  LEU  27          HD11      LEU  27   5.836   7.149  -5.130
  191   HD12  LEU  27          HD12      LEU  27   5.644   7.828  -6.746
  192   HD13  LEU  27          HD13      LEU  27   7.200   7.165  -6.247
  193   HD21  LEU  27          HD21      LEU  27   5.442   6.352  -8.689
  194   HD22  LEU  27          HD22      LEU  27   5.453   4.599  -8.454
  195   HD23  LEU  27          HD23      LEU  27   6.971   5.502  -8.387
  196    H    GLU  28           H        GLU  28   4.649   2.282  -5.422
  197    HA   GLU  28           HA       GLU  28   2.128   3.210  -6.252
  198    HB2  GLU  28           HB2      GLU  28   2.873   0.427  -5.321
  199    HB3  GLU  28           HB1      GLU  28   1.519   0.856  -6.352
  200    HG2  GLU  28           HG2      GLU  28   4.406   1.242  -7.113
  201    HG3  GLU  28           HG1      GLU  28   3.458  -0.183  -7.519
  202    H    MET  29           H        MET  29   3.390   1.968  -3.276
  203    HA   MET  29           HA       MET  29   0.788   1.614  -2.093
  204    HB2  MET  29           HB2      MET  29   3.530   1.266  -0.950
  205    HB3  MET  29           HB1      MET  29   2.049   0.954  -0.045
  206    HG2  MET  29           HG2      MET  29   3.178  -0.478  -2.410
  207    HG3  MET  29           HG1      MET  29   2.810  -1.065  -0.787
  208    HE1  MET  29           HE1      MET  29   0.266  -1.305   0.124
  209    HE2  MET  29           HE2      MET  29  -1.154  -0.923  -0.868
  210    HE3  MET  29          3HE       MET  29  -0.013   0.347  -0.419
  211    H    GLY  30           H        GLY  30   3.116   3.996  -2.268
  212    HA2  GLY  30           HA2      GLY  30   2.522   5.480   0.051
  213    HA3  GLY  30           HA1      GLY  30   3.205   6.138  -1.433
  214    H    TYR  31           H        TYR  31   0.931   5.149  -3.010
  215    HA   TYR  31           HA       TYR  31  -0.974   7.095  -2.052
  216    HB2  TYR  31           HB2      TYR  31  -1.881   7.239  -4.353
  217    HB3  TYR  31           HB1      TYR  31  -0.236   7.819  -4.086
  218    HD1  TYR  31           HD1      TYR  31   1.610   6.867  -5.277
  219    HD2  TYR  31           HD2      TYR  31  -2.287   5.208  -5.640
  220    HE1  TYR  31           HE1      TYR  31   2.336   5.644  -7.212
  221    HE2  TYR  31           HE2      TYR  31  -1.575   3.945  -7.585
  222    HH   TYR  31           HH       TYR  31   1.724   3.633  -8.520
  223    H    TYR  32           H        TYR  32  -0.702   3.865  -3.052
  224    HA   TYR  32           HA       TYR  32  -3.474   3.306  -2.974
  225    HB2  TYR  32           HB2      TYR  32  -1.123   1.429  -2.918
  226    HB3  TYR  32           HB1      TYR  32  -2.741   0.819  -2.647
  227    HD1  TYR  32           HD1      TYR  32  -4.370   2.308  -4.475
  228    HD2  TYR  32           HD2      TYR  32  -0.455   0.752  -5.021
  229    HE1  TYR  32           HE1      TYR  32  -4.780   2.177  -6.838
  230    HE2  TYR  32           HE2      TYR  32  -0.851   0.613  -7.440
  231    HH   TYR  32           HH       TYR  32  -2.809   0.431  -8.944
  232    H    CYS  33           H        CYS  33  -1.046   2.468  -0.477
  233    HA   CYS  33           HA       CYS  33  -3.254   2.726   1.399
  234    HB2  CYS  33           HB2      CYS  33  -1.449   0.329   1.297
  235    HB3  CYS  33           HB1      CYS  33  -2.688   0.633   2.522
  236    HA   PRO  34           HA       PRO  34   0.678   4.778   2.637
  237    HB2  PRO  34           HB2      PRO  34  -0.345   7.206   3.129
  238    HB3  PRO  34           HB1      PRO  34   0.081   6.673   1.497
  239    HG2  PRO  34           HG2      PRO  34  -2.602   6.723   2.823
  240    HG3  PRO  34           HG1      PRO  34  -2.167   7.239   1.189
  241    HD2  PRO  34           HD2      PRO  34  -3.293   4.867   1.722
  242    HD3  PRO  34           HD1      PRO  34  -2.155   5.100   0.379
  243    H    VAL  35           H        VAL  35  -2.440   4.540   4.111
  244    HA   VAL  35           HA       VAL  35  -1.357   5.441   6.597
  245    HB   VAL  35           HB       VAL  35  -4.133   4.385   6.055
  246   HG11  VAL  35          HG11      VAL  35  -4.731   5.421   8.188
  247   HG12  VAL  35          HG12      VAL  35  -3.051   5.907   8.416
  248   HG13  VAL  35          3HG1      VAL  35  -3.476   4.196   8.408
  249   HG21  VAL  35          HG21      VAL  35  -3.669   6.380   4.778
  250   HG22  VAL  35          HG22      VAL  35  -3.066   7.193   6.215
  251   HG23  VAL  35          HG23      VAL  35  -4.780   6.777   6.096
  252    H    THR  36           H        THR  36  -2.608   2.511   5.143
  253    HA   THR  36           HA       THR  36  -2.481   0.740   7.259
  254    HB   THR  36           HB       THR  36  -1.878   0.095   4.370
  255    HG1  THR  36           HG1      THR  36  -3.840   1.163   4.530
  256   HG21  THR  36          HG21      THR  36  -2.762  -2.146   4.931
  257   HG22  THR  36          HG22      THR  36  -2.998  -1.637   6.601
  258   HG23  THR  36          HG23      THR  36  -1.370  -1.754   5.937
  259    H    CYS  37           H        CYS  37   0.175   1.362   4.897
  260    HA   CYS  37           HA       CYS  37   1.793  -0.315   6.619
  261    HB2  CYS  37           HB2      CYS  37   2.416   0.822   3.913
  262    HB3  CYS  37           HB1      CYS  37   3.479  -0.256   4.822
  263    H    GLY  38           H        GLY  38   1.005   2.665   6.962
  264    HA2  GLY  38           HA2      GLY  38   1.860   4.103   8.551
  265    HA3  GLY  38           HA1      GLY  38   3.271   3.066   8.646
  266    H    PHE  39           H        PHE  39   2.011   4.823   5.840
  267    HA   PHE  39           HA       PHE  39   4.578   6.154   5.536
  268    HB2  PHE  39           HB2      PHE  39   1.996   6.375   3.942
  269    HB3  PHE  39           HB1      PHE  39   3.488   7.195   3.532
  270    HD1  PHE  39           HD1      PHE  39   5.090   6.145   2.229
  271    HD2  PHE  39           HD2      PHE  39   1.916   3.854   3.849
  272    HE1  PHE  39           HE1      PHE  39   5.740   4.256   0.790
  273    HE2  PHE  39           HE2      PHE  39   2.556   1.952   2.396
  274    HZ   PHE  39           HZ       PHE  39   4.469   2.160   0.882
  275    HA   CYS  40           HA       CYS  40   1.764   9.114   7.711
  276    HB2  CYS  40           HB2      CYS  40   0.226  10.615   6.282
  277    HB3  CYS  40           HB1      CYS  40   1.874  10.367   5.710
  278    HN1  NH2  41           H1       CYS  40   0.690   7.868   9.226
  279    HN2  NH2  41           H2       CYS  40  -1.008   7.553   9.171
  Start of MODEL   17
    1    H1   GLU   1           HT1      GLU   1  -4.162  17.050  -0.326
    2    H2   GLU   1           HT2      GLU   1  -3.563  16.932  -1.894
    3    H3   GLU   1           HT3      GLU   1  -2.848  16.045  -0.628
    4    HA   GLU   1           HA       GLU   1  -5.581  15.658  -1.617
    5    HB2  GLU   1           HB2      GLU   1  -4.831  13.570  -2.544
    6    HB3  GLU   1           HB1      GLU   1  -3.715  14.788  -3.133
    7    HG2  GLU   1           HG2      GLU   1  -3.177  12.879  -0.847
    8    HG3  GLU   1           HG1      GLU   1  -2.641  12.641  -2.503
    9    H    HIS   2           H        HIS   2  -6.427  13.601  -0.635
   10    HA   HIS   2           HA       HIS   2  -5.743  13.497   2.193
   11    HB2  HIS   2           HB2      HIS   2  -7.848  11.963   0.632
   12    HB3  HIS   2           HB1      HIS   2  -7.677  11.994   2.378
   13    HD1  HIS   2           HD1      HIS   2  -9.905  13.203   0.015
   14    HD2  HIS   2           HD2      HIS   2  -7.836  15.022   3.125
   15    HE1  HIS   2           HE1      HIS   2 -11.190  15.281   0.578
   16    H    CYS   3           H        CYS   3  -3.995  12.191   2.587
   17    HA   CYS   3           HA       CYS   3  -3.605   9.964   0.831
   18    HB2  CYS   3           HB2      CYS   3  -1.581   9.436   2.124
   19    HB3  CYS   3           HB1      CYS   3  -1.602  11.119   1.636
   20    H    ALA   4           H        ALA   4  -4.904   8.366   0.994
   21    HA   ALA   4           HA       ALA   4  -5.321   7.091   3.554
   22    HB1  ALA   4           HB1      ALA   4  -7.189   8.660   3.385
   23    HB2  ALA   4           HB2      ALA   4  -7.747   6.993   3.231
   24    HB3  ALA   4           HB3      ALA   4  -7.599   8.009   1.798
   25    H    ASP   5           H        ASP   5  -5.629   4.974   3.348
   26    HA   ASP   5           HA       ASP   5  -4.695   3.618   1.087
   27    HB2  ASP   5           HB2      ASP   5  -6.531   2.425   3.167
   28    HB3  ASP   5           HB1      ASP   5  -5.277   1.612   2.240
   29    H    GLU   6           H        GLU   6  -5.626   2.829  -0.654
   30    HA   GLU   6           HA       GLU   6  -8.069   3.892  -1.523
   31    HB2  GLU   6           HB2      GLU   6  -6.207   3.399  -3.025
   32    HB3  GLU   6           HB1      GLU   6  -6.348   1.689  -2.661
   33    HG2  GLU   6           HG2      GLU   6  -7.276   2.262  -4.815
   34    HG3  GLU   6           HG1      GLU   6  -8.494   1.599  -3.723
   35    H    LYS   7           H        LYS   7 -10.082   3.091  -1.543
   36    HA   LYS   7           HA       LYS   7 -10.608   0.882   0.180
   37    HB2  LYS   7           HB2      LYS   7 -12.962   1.513  -0.214
   38    HB3  LYS   7           HB1      LYS   7 -11.961   2.786   0.469
   39    HG2  LYS   7           HG2      LYS   7 -11.757   3.774  -1.794
   40    HG3  LYS   7           HG1      LYS   7 -12.856   2.534  -2.397
   41    HD2  LYS   7           HD2      LYS   7 -13.487   4.444  -0.188
   42    HD3  LYS   7           HD1      LYS   7 -13.965   4.711  -1.875
   43    HE2  LYS   7           HE2      LYS   7 -15.185   2.565  -1.788
   44    HE3  LYS   7           HE1      LYS   7 -14.731   2.421  -0.093
   45    HZ1  LYS   7           HZ1      LYS   7 -16.016   4.381   0.427
   46    HZ2  LYS   7           HZ2      LYS   7 -16.982   3.281  -0.405
   47    HZ3  LYS   7           HZ3      LYS   7 -16.393   4.623  -1.209
   48    H    ASN   8           H        ASN   8 -10.150   1.276  -3.085
   49    HA   ASN   8           HA       ASN   8 -11.807  -1.030  -3.871
   50    HB2  ASN   8           HB2      ASN   8  -9.955   0.634  -5.604
   51    HB3  ASN   8           HB1      ASN   8 -11.111  -0.557  -6.174
   52   HD21  ASN   8          HD21      ASN   8 -10.896   2.141  -6.948
   53   HD22  ASN   8          HD22      ASN   8 -12.374   2.941  -6.547
   54    H    PHE   9           H        PHE   9  -9.068  -0.710  -2.351
   55    HA   PHE   9           HA       PHE   9  -7.603  -2.907  -3.679
   56    HB2  PHE   9           HB2      PHE   9  -6.748  -0.488  -3.930
   57    HB3  PHE   9           HB1      PHE   9  -6.444  -0.559  -2.202
   58    HD1  PHE   9           HD1      PHE   9  -4.374  -1.220  -1.508
   59    HD2  PHE   9           HD2      PHE   9  -5.815  -2.470  -5.288
   60    HE1  PHE   9           HE1      PHE   9  -2.205  -2.238  -1.986
   61    HE2  PHE   9           HE2      PHE   9  -3.703  -3.492  -5.792
   62    HZ   PHE   9           HZ       PHE   9  -1.824  -3.363  -4.120
   63    H    ASP  10           H        ASP  10  -6.697  -4.329  -2.051
   64    HA   ASP  10           HA       ASP  10  -7.710  -3.744   0.640
   65    HB2  ASP  10           HB2      ASP  10  -8.408  -5.957  -0.424
   66    HB3  ASP  10           HB1      ASP  10  -6.724  -6.454  -0.277
   67    H    CYS  11           H        CYS  11  -6.226  -2.597   1.553
   68    HA   CYS  11           HA       CYS  11  -3.471  -2.952   1.053
   69    HB2  CYS  11           HB2      CYS  11  -4.996  -1.192   2.933
   70    HB3  CYS  11           HB1      CYS  11  -3.233  -1.194   2.835
   71    H    ARG  12           H        ARG  12  -5.622  -4.239   3.408
   72    HA   ARG  12           HA       ARG  12  -3.604  -4.830   5.346
   73    HB2  ARG  12           HB2      ARG  12  -6.279  -6.157   4.912
   74    HB3  ARG  12           HB1      ARG  12  -5.241  -6.401   6.307
   75    HG2  ARG  12           HG2      ARG  12  -6.634  -3.859   5.511
   76    HG3  ARG  12           HG1      ARG  12  -7.029  -4.915   6.863
   77    HD2  ARG  12           HD2      ARG  12  -4.766  -4.429   7.802
   78    HD3  ARG  12           HD1      ARG  12  -4.533  -3.266   6.500
   79    HE   ARG  12           HE       ARG  12  -6.615  -3.080   8.555
   80   HH11  ARG  12          HH11      ARG  12  -4.407  -1.452   6.267
   81   HH12  ARG  12          HH12      ARG  12  -4.774   0.088   6.835
   82   HH21  ARG  12          HH21      ARG  12  -7.068  -0.931   9.324
   83   HH22  ARG  12          HH22      ARG  12  -6.300   0.403   8.621
   84    H    ARG  13           H        ARG  13  -5.219  -6.684   2.841
   85    HA   ARG  13           HA       ARG  13  -3.703  -9.015   3.182
   86    HB2  ARG  13           HB2      ARG  13  -5.826  -8.950   1.929
   87    HB3  ARG  13           HB1      ARG  13  -5.051  -8.003   0.670
   88    HG2  ARG  13           HG2      ARG  13  -3.571  -9.860   0.155
   89    HG3  ARG  13           HG1      ARG  13  -4.297 -10.808   1.454
   90    HD2  ARG  13           HD2      ARG  13  -5.264 -11.489  -0.637
   91    HD3  ARG  13           HD1      ARG  13  -6.474 -10.629   0.309
   92    HE   ARG  13           HE       ARG  13  -4.979  -9.105  -1.644
   93   HH11  ARG  13          HH11      ARG  13  -8.034 -10.592  -0.709
   94   HH12  ARG  13          HH12      ARG  13  -8.908 -10.025  -2.050
   95   HH21  ARG  13          HH21      ARG  13  -6.204  -8.297  -3.525
   96   HH22  ARG  13          HH22      ARG  13  -7.855  -8.694  -3.656
   97    H    SER  14           H        SER  14  -3.239  -6.219   1.034
   98    HA   SER  14           HA       SER  14  -0.977  -7.177  -0.311
   99    HB2  SER  14           HB2      SER  14  -1.681  -4.307   0.342
  100    HB3  SER  14           HB1      SER  14  -0.586  -4.842  -0.938
  101    HG   SER  14           HG       SER  14  -3.350  -4.873  -0.835
  102    H    LEU  15           H        LEU  15  -1.298  -5.544   2.778
  103    HA   LEU  15           HA       LEU  15   1.409  -5.159   3.339
  104    HB2  LEU  15           HB2      LEU  15  -0.390  -4.140   4.641
  105    HB3  LEU  15           HB1      LEU  15  -0.921  -5.717   5.174
  106    HG   LEU  15           HG       LEU  15   1.197  -5.987   6.421
  107   HD11  LEU  15          HD11      LEU  15   2.644  -4.046   6.756
  108   HD12  LEU  15          HD12      LEU  15   1.701  -3.146   5.559
  109   HD13  LEU  15          HD13      LEU  15   2.607  -4.582   5.076
  110   HD21  LEU  15          HD21      LEU  15   0.665  -4.383   8.190
  111   HD22  LEU  15          HD22      LEU  15  -0.793  -5.130   7.529
  112   HD23  LEU  15          HD23      LEU  15  -0.353  -3.485   7.063
  113    H    ARG  16           H        ARG  16  -0.787  -7.849   3.956
  114    HA   ARG  16           HA       ARG  16   1.158  -9.443   5.300
  115    HB2  ARG  16           HB2      ARG  16  -1.464 -10.296   4.079
  116    HB3  ARG  16           HB1      ARG  16  -0.510 -11.218   5.233
  117    HG2  ARG  16           HG2      ARG  16  -1.879  -8.584   5.731
  118    HG3  ARG  16           HG1      ARG  16  -2.356 -10.160   6.366
  119    HD2  ARG  16           HD2      ARG  16  -0.319 -10.301   7.653
  120    HD3  ARG  16           HD1      ARG  16   0.282  -8.818   6.917
  121    HE   ARG  16           HE       ARG  16  -2.212  -8.538   8.256
  122   HH11  ARG  16          HH11      ARG  16   1.331  -8.376   8.554
  123   HH12  ARG  16          HH12      ARG  16   1.302  -7.410   9.953
  124   HH21  ARG  16          HH21      ARG  16  -2.208  -7.190  10.217
  125   HH22  ARG  16          HH22      ARG  16  -0.725  -6.745  10.923
  126    H    ASN  17           H        ASN  17   0.119  -9.211   1.986
  127    HA   ASN  17           HA       ASN  17   1.310 -11.598   0.998
  128    HB2  ASN  17           HB2      ASN  17   1.023  -8.978  -0.470
  129    HB3  ASN  17           HB1      ASN  17   1.366 -10.534  -1.187
  130   HD21  ASN  17          HD21      ASN  17  -0.639  -8.677  -1.719
  131   HD22  ASN  17          HD22      ASN  17  -2.173  -9.441  -1.521
  132    H    GLY  18           H        GLY  18   2.463  -8.392   1.598
  133    HA2  GLY  18           HA2      GLY  18   4.785  -8.091   2.202
  134    HA3  GLY  18           HA1      GLY  18   5.188  -9.330   1.019
  135    H    ASP  19           H        ASP  19   2.740  -7.280  -0.062
  136    HA   ASP  19           HA       ASP  19   4.360  -6.154  -2.116
  137    HB2  ASP  19           HB2      ASP  19   1.570  -5.438  -1.167
  138    HB3  ASP  19           HB1      ASP  19   2.339  -4.682  -2.554
  139    H    CYS  20           H        CYS  20   3.200  -5.146   0.937
  140    HA   CYS  20           HA       CYS  20   4.185  -2.445   0.746
  141    HB2  CYS  20           HB2      CYS  20   2.128  -3.002   1.980
  142    HB3  CYS  20           HB1      CYS  20   3.067  -4.032   3.049
  143    H    ASP  21           H        ASP  21   5.655  -5.361   1.197
  144    HA   ASP  21           HA       ASP  21   7.660  -4.392   3.126
  145    HB2  ASP  21           HB2      ASP  21   6.634  -6.495   3.728
  146    HB3  ASP  21           HB1      ASP  21   6.882  -7.132   2.116
  147    H    ASN  22           H        ASN  22   7.042  -4.845  -0.129
  148    HA   ASN  22           HA       ASN  22   9.777  -5.380  -0.929
  149    HB2  ASN  22           HB2      ASN  22   7.827  -6.430  -2.105
  150    HB3  ASN  22           HB1      ASN  22   7.349  -4.831  -2.652
  151   HD21  ASN  22          HD21      ASN  22   8.024  -7.117  -4.243
  152   HD22  ASN  22          HD22      ASN  22   9.371  -6.673  -5.219
  153    H    ASP  23           H        ASP  23  11.159  -3.810  -1.360
  154    HA   ASP  23           HA       ASP  23  10.556  -1.091  -0.989
  155    HB2  ASP  23           HB2      ASP  23  12.796  -0.591  -1.815
  156    HB3  ASP  23           HB1      ASP  23  12.826  -1.920  -0.661
  157    H    ASP  24           H        ASP  24  10.635  -3.042  -3.821
  158    HA   ASP  24           HA       ASP  24  10.676  -0.960  -5.759
  159    HB2  ASP  24           HB2      ASP  24  11.332  -3.249  -6.308
  160    HB3  ASP  24           HB1      ASP  24   9.699  -3.803  -5.987
  161    H    LYS  25           H        LYS  25   8.117  -2.459  -3.922
  162    HA   LYS  25           HA       LYS  25   6.103  -1.277  -5.643
  163    HB2  LYS  25           HB2      LYS  25   5.960  -3.186  -3.353
  164    HB3  LYS  25           HB1      LYS  25   4.563  -2.556  -4.213
  165    HG2  LYS  25           HG2      LYS  25   5.283  -3.575  -6.247
  166    HG3  LYS  25           HG1      LYS  25   6.794  -4.100  -5.492
  167    HD2  LYS  25           HD2      LYS  25   5.700  -5.503  -4.035
  168    HD3  LYS  25           HD1      LYS  25   4.128  -4.813  -4.431
  169    HE2  LYS  25           HE2      LYS  25   4.344  -5.722  -6.740
  170    HE3  LYS  25           HE1      LYS  25   5.896  -6.430  -6.298
  171    HZ1  LYS  25           HZ1      LYS  25   4.023  -8.001  -6.281
  172    HZ2  LYS  25           HZ2      LYS  25   3.317  -7.142  -4.996
  173    HZ3  LYS  25           HZ3      LYS  25   4.812  -7.909  -4.802
  174    H    LEU  26           H        LEU  26   7.857  -0.349  -3.048
  175    HA   LEU  26           HA       LEU  26   5.979   0.730  -1.317
  176    HB2  LEU  26           HB2      LEU  26   8.761   1.710  -1.892
  177    HB3  LEU  26           HB1      LEU  26   7.746   2.403  -0.643
  178    HG   LEU  26           HG       LEU  26   8.682  -0.462  -0.751
  179   HD11  LEU  26          HD11      LEU  26   9.531   1.825   1.024
  180   HD12  LEU  26          HD12      LEU  26  10.498   1.090  -0.254
  181   HD13  LEU  26          HD13      LEU  26  10.067   0.153   1.176
  182   HD21  LEU  26          HD21      LEU  26   6.520  -0.298   0.347
  183   HD22  LEU  26          HD22      LEU  26   7.106   1.027   1.350
  184   HD23  LEU  26          HD23      LEU  26   7.781  -0.590   1.545
  185    H    LEU  27           H        LEU  27   7.147   2.232  -4.370
  186    HA   LEU  27           HA       LEU  27   6.003   4.709  -3.968
  187    HB2  LEU  27           HB2      LEU  27   7.596   3.702  -5.746
  188    HB3  LEU  27           HB1      LEU  27   6.127   3.253  -6.565
  189    HG   LEU  27           HG       LEU  27   7.255   5.181  -7.381
  190   HD11  LEU  27          HD11      LEU  27   5.235   6.680  -7.609
  191   HD12  LEU  27          HD12      LEU  27   4.465   5.753  -6.320
  192   HD13  LEU  27          HD13      LEU  27   4.853   4.975  -7.853
  193   HD21  LEU  27          HD21      LEU  27   7.102   7.361  -6.214
  194   HD22  LEU  27          HD22      LEU  27   8.103   6.172  -5.377
  195   HD23  LEU  27          HD23      LEU  27   6.472   6.516  -4.804
  196    H    GLU  28           H        GLU  28   4.740   1.672  -5.285
  197    HA   GLU  28           HA       GLU  28   2.176   2.517  -6.080
  198    HB2  GLU  28           HB2      GLU  28   3.054  -0.164  -4.976
  199    HB3  GLU  28           HB1      GLU  28   1.547   0.136  -5.823
  200    HG2  GLU  28           HG2      GLU  28   4.278   0.506  -7.019
  201    HG3  GLU  28           HG1      GLU  28   3.290  -0.943  -7.204
  202    H    MET  29           H        MET  29   3.560   1.540  -3.043
  203    HA   MET  29           HA       MET  29   1.070   1.326  -1.618
  204    HB2  MET  29           HB2      MET  29   3.922   1.445  -0.644
  205    HB3  MET  29           HB1      MET  29   2.530   1.058   0.355
  206    HG2  MET  29           HG2      MET  29   3.524  -0.580  -1.975
  207    HG3  MET  29           HG1      MET  29   3.951  -0.864  -0.301
  208    HE1  MET  29           HE1      MET  29  -0.029  -1.970  -2.385
  209    HE2  MET  29           HE2      MET  29   1.491  -1.572  -3.181
  210    HE3  MET  29          3HE       MET  29   0.523  -0.301  -2.440
  211    H    GLY  30           H        GLY  30   3.297   3.793  -2.411
  212    HA2  GLY  30           HA2      GLY  30   2.824   5.596  -0.306
  213    HA3  GLY  30           HA1      GLY  30   3.401   6.029  -1.907
  214    H    TYR  31           H        TYR  31   1.018   4.865  -3.159
  215    HA   TYR  31           HA       TYR  31  -0.840   6.890  -2.269
  216    HB2  TYR  31           HB2      TYR  31  -1.780   7.027  -4.566
  217    HB3  TYR  31           HB1      TYR  31  -0.123   7.592  -4.347
  218    HD1  TYR  31           HD1      TYR  31  -2.311   5.426  -6.142
  219    HD2  TYR  31           HD2      TYR  31   1.746   6.144  -5.160
  220    HE1  TYR  31           HE1      TYR  31  -1.625   4.093  -8.048
  221    HE2  TYR  31           HE2      TYR  31   2.473   4.805  -7.041
  222    HH   TYR  31           HH       TYR  31   1.609   3.044  -8.559
  223    H    TYR  32           H        TYR  32  -0.643   3.642  -3.357
  224    HA   TYR  32           HA       TYR  32  -3.427   3.161  -3.065
  225    HB2  TYR  32           HB2      TYR  32  -1.117   1.283  -3.365
  226    HB3  TYR  32           HB1      TYR  32  -2.656   0.630  -2.849
  227    HD1  TYR  32           HD1      TYR  32  -4.678   1.100  -4.267
  228    HD2  TYR  32           HD2      TYR  32  -0.710   1.728  -5.625
  229    HE1  TYR  32           HE1      TYR  32  -5.477   1.037  -6.573
  230    HE2  TYR  32           HE2      TYR  32  -1.498   1.667  -7.948
  231    HH   TYR  32           HH       TYR  32  -4.841   1.757  -8.691
  232    H    CYS  33           H        CYS  33  -0.749   2.652  -0.778
  233    HA   CYS  33           HA       CYS  33  -2.786   2.252   1.300
  234    HB2  CYS  33           HB2      CYS  33  -0.336   0.534   0.903
  235    HB3  CYS  33           HB1      CYS  33  -1.528   0.377   2.191
  236    HA   PRO  34           HA       PRO  34   0.905   5.108   2.231
  237    HB2  PRO  34           HB2      PRO  34  -0.458   7.355   2.882
  238    HB3  PRO  34           HB1      PRO  34   0.003   6.962   1.221
  239    HG2  PRO  34           HG2      PRO  34  -2.611   6.518   2.606
  240    HG3  PRO  34           HG1      PRO  34  -2.321   7.196   1.001
  241    HD2  PRO  34           HD2      PRO  34  -3.051   4.654   1.341
  242    HD3  PRO  34           HD1      PRO  34  -1.907   5.115   0.063
  243    H    VAL  35           H        VAL  35  -2.094   4.468   3.889
  244    HA   VAL  35           HA       VAL  35  -0.949   5.428   6.343
  245    HB   VAL  35           HB       VAL  35  -3.678   4.226   5.888
  246   HG11  VAL  35          HG11      VAL  35  -2.574   5.754   8.244
  247   HG12  VAL  35          HG12      VAL  35  -2.910   4.023   8.213
  248   HG13  VAL  35          3HG1      VAL  35  -4.238   5.182   8.068
  249   HG21  VAL  35          HG21      VAL  35  -2.781   7.083   6.129
  250   HG22  VAL  35          HG22      VAL  35  -4.458   6.538   5.928
  251   HG23  VAL  35          HG23      VAL  35  -3.263   6.270   4.650
  252    H    THR  36           H        THR  36  -2.045   2.418   4.916
  253    HA   THR  36           HA       THR  36  -1.515   0.714   7.062
  254    HB   THR  36           HB       THR  36  -1.269   0.058   4.124
  255    HG1  THR  36           HG1      THR  36  -3.253   1.008   4.500
  256   HG21  THR  36          HG21      THR  36  -0.471  -1.718   5.626
  257   HG22  THR  36          HG22      THR  36  -1.971  -2.193   4.828
  258   HG23  THR  36          HG23      THR  36  -1.997  -1.658   6.508
  259    H    CYS  37           H        CYS  37   0.606   1.836   4.464
  260    HA   CYS  37           HA       CYS  37   2.793   0.289   5.494
  261    HB2  CYS  37           HB2      CYS  37   2.544   2.122   3.153
  262    HB3  CYS  37           HB1      CYS  37   4.035   1.248   3.545
  263    H    GLY  38           H        GLY  38   1.571   3.188   6.455
  264    HA2  GLY  38           HA2      GLY  38   2.415   4.574   8.086
  265    HA3  GLY  38           HA1      GLY  38   3.919   3.684   8.014
  266    H    PHE  39           H        PHE  39   2.315   5.503   5.429
  267    HA   PHE  39           HA       PHE  39   4.674   7.208   5.131
  268    HB2  PHE  39           HB2      PHE  39   2.096   7.014   3.539
  269    HB3  PHE  39           HB1      PHE  39   3.365   8.175   3.194
  270    HD1  PHE  39           HD1      PHE  39   5.228   7.577   1.919
  271    HD2  PHE  39           HD2      PHE  39   2.542   4.591   3.283
  272    HE1  PHE  39           HE1      PHE  39   6.325   5.950   0.440
  273    HE2  PHE  39           HE2      PHE  39   3.655   2.932   1.780
  274    HZ   PHE  39           HZ       PHE  39   5.533   3.624   0.377
  275    HA   CYS  40           HA       CYS  40   1.646  10.058   6.936
  276    HB2  CYS  40           HB2      CYS  40  -0.886   8.492   6.377
  277    HB3  CYS  40           HB1      CYS  40  -0.790  10.212   6.745
  278    HN1  NH2  41           H1       CYS  40   2.252  10.047   8.973
  279    HN2  NH2  41           H2       CYS  40   1.586   9.071  10.241
  Start of MODEL   18
    1    H1   GLU   1           HT1      GLU   1  -3.322  17.695   1.568
    2    H2   GLU   1           HT2      GLU   1  -4.988  17.782   1.360
    3    H3   GLU   1           HT3      GLU   1  -3.952  18.145   0.055
    4    HA   GLU   1           HA       GLU   1  -4.922  15.982  -0.197
    5    HB2  GLU   1           HB2      GLU   1  -2.676  16.221  -1.061
    6    HB3  GLU   1           HB1      GLU   1  -1.994  15.987   0.541
    7    HG2  GLU   1           HG2      GLU   1  -2.890  13.681   0.539
    8    HG3  GLU   1           HG1      GLU   1  -3.426  13.927  -1.121
    9    H    HIS   2           H        HIS   2  -6.076  14.600   0.951
   10    HA   HIS   2           HA       HIS   2  -5.081  13.801   3.577
   11    HB2  HIS   2           HB2      HIS   2  -7.476  14.545   3.441
   12    HB3  HIS   2           HB1      HIS   2  -7.781  13.275   2.265
   13    HD1  HIS   2           HD1      HIS   2  -7.836  13.918   5.868
   14    HD2  HIS   2           HD2      HIS   2  -7.481  10.597   3.402
   15    HE1  HIS   2           HE1      HIS   2  -8.322  11.919   7.318
   16    H    CYS   3           H        CYS   3  -3.787  12.108   3.431
   17    HA   CYS   3           HA       CYS   3  -4.074  10.323   1.199
   18    HB2  CYS   3           HB2      CYS   3  -1.974   9.288   2.116
   19    HB3  CYS   3           HB1      CYS   3  -1.823  10.979   1.661
   20    H    ALA   4           H        ALA   4  -5.099   8.467   1.281
   21    HA   ALA   4           HA       ALA   4  -5.414   7.064   3.792
   22    HB1  ALA   4           HB1      ALA   4  -7.824   6.728   3.392
   23    HB2  ALA   4           HB2      ALA   4  -7.747   7.814   2.007
   24    HB3  ALA   4           HB3      ALA   4  -7.449   8.433   3.632
   25    H    ASP   5           H        ASP   5  -6.030   4.820   3.375
   26    HA   ASP   5           HA       ASP   5  -4.729   3.803   1.045
   27    HB2  ASP   5           HB2      ASP   5  -6.579   2.312   2.925
   28    HB3  ASP   5           HB1      ASP   5  -5.469   1.588   1.777
   29    H    GLU   6           H        GLU   6  -5.610   2.787  -0.733
   30    HA   GLU   6           HA       GLU   6  -8.026   3.860  -1.724
   31    HB2  GLU   6           HB2      GLU   6  -6.246   3.337  -3.261
   32    HB3  GLU   6           HB1      GLU   6  -6.141   1.692  -2.683
   33    HG2  GLU   6           HG2      GLU   6  -7.126   1.858  -4.886
   34    HG3  GLU   6           HG1      GLU   6  -8.238   1.150  -3.721
   35    H    LYS   7           H        LYS   7 -10.008   3.107  -1.558
   36    HA   LYS   7           HA       LYS   7 -10.538   0.905   0.199
   37    HB2  LYS   7           HB2      LYS   7 -12.870   1.485  -0.054
   38    HB3  LYS   7           HB1      LYS   7 -11.885   2.895   0.306
   39    HG2  LYS   7           HG2      LYS   7 -11.979   3.586  -2.023
   40    HG3  LYS   7           HG1      LYS   7 -12.891   2.135  -2.427
   41    HD2  LYS   7           HD2      LYS   7 -14.441   3.949  -2.202
   42    HD3  LYS   7           HD1      LYS   7 -14.605   2.826  -0.842
   43    HE2  LYS   7           HE2      LYS   7 -13.304   4.328   0.575
   44    HE3  LYS   7           HE1      LYS   7 -13.113   5.447  -0.776
   45    HZ1  LYS   7           HZ1      LYS   7 -14.874   6.132   0.701
   46    HZ2  LYS   7           HZ2      LYS   7 -15.676   4.669   0.486
   47    HZ3  LYS   7           HZ3      LYS   7 -15.496   5.737  -0.816
   48    H    ASN   8           H        ASN   8 -10.209   1.237  -3.108
   49    HA   ASN   8           HA       ASN   8 -11.752  -1.199  -3.688
   50    HB2  ASN   8           HB2      ASN   8 -10.266   0.663  -5.558
   51    HB3  ASN   8           HB1      ASN   8 -11.159  -0.759  -6.077
   52   HD21  ASN   8          HD21      ASN   8 -11.378   2.443  -4.783
   53   HD22  ASN   8          HD22      ASN   8 -13.050   2.685  -5.131
   54    H    PHE   9           H        PHE   9  -8.928  -0.672  -2.417
   55    HA   PHE   9           HA       PHE   9  -7.502  -2.877  -3.789
   56    HB2  PHE   9           HB2      PHE   9  -6.603  -0.488  -4.051
   57    HB3  PHE   9           HB1      PHE   9  -6.301  -0.546  -2.318
   58    HD1  PHE   9           HD1      PHE   9  -5.638  -2.332  -5.449
   59    HD2  PHE   9           HD2      PHE   9  -4.319  -1.429  -1.536
   60    HE1  PHE   9           HE1      PHE   9  -3.571  -3.415  -5.935
   61    HE2  PHE   9           HE2      PHE   9  -2.180  -2.525  -1.996
   62    HZ   PHE   9           HZ       PHE   9  -1.765  -3.515  -4.198
   63    H    ASP  10           H        ASP  10  -6.647  -4.377  -2.264
   64    HA   ASP  10           HA       ASP  10  -7.616  -3.830   0.430
   65    HB2  ASP  10           HB2      ASP  10  -8.331  -5.995  -0.754
   66    HB3  ASP  10           HB1      ASP  10  -6.681  -6.546  -0.461
   67    H    CYS  11           H        CYS  11  -6.088  -2.621   1.186
   68    HA   CYS  11           HA       CYS  11  -3.334  -3.052   0.824
   69    HB2  CYS  11           HB2      CYS  11  -4.873  -1.335   2.744
   70    HB3  CYS  11           HB1      CYS  11  -3.117  -1.298   2.574
   71    H    ARG  12           H        ARG  12  -5.579  -4.411   2.946
   72    HA   ARG  12           HA       ARG  12  -3.765  -4.892   5.122
   73    HB2  ARG  12           HB2      ARG  12  -6.229  -6.531   4.616
   74    HB3  ARG  12           HB1      ARG  12  -5.536  -6.048   6.152
   75    HG2  ARG  12           HG2      ARG  12  -7.121  -4.328   4.241
   76    HG3  ARG  12           HG1      ARG  12  -7.601  -4.896   5.833
   77    HD2  ARG  12           HD2      ARG  12  -5.913  -3.470   6.874
   78    HD3  ARG  12           HD1      ARG  12  -5.340  -2.957   5.285
   79    HE   ARG  12           HE       ARG  12  -8.137  -2.503   5.962
   80   HH11  ARG  12          HH11      ARG  12  -4.914  -0.975   5.466
   81   HH12  ARG  12          HH12      ARG  12  -5.530   0.574   5.312
   82   HH21  ARG  12          HH21      ARG  12  -8.929  -0.283   5.781
   83   HH22  ARG  12          HH22      ARG  12  -7.850   0.999   5.532
   84    H    ARG  13           H        ARG  13  -5.149  -6.741   2.447
   85    HA   ARG  13           HA       ARG  13  -3.816  -9.170   2.693
   86    HB2  ARG  13           HB2      ARG  13  -5.684  -8.596   1.134
   87    HB3  ARG  13           HB1      ARG  13  -4.534  -7.704   0.164
   88    HG2  ARG  13           HG2      ARG  13  -3.291  -9.762  -0.269
   89    HG3  ARG  13           HG1      ARG  13  -4.459 -10.661   0.705
   90    HD2  ARG  13           HD2      ARG  13  -5.062  -9.095  -1.793
   91    HD3  ARG  13           HD1      ARG  13  -4.965 -10.855  -1.670
   92    HE   ARG  13           HE       ARG  13  -6.824 -10.072   0.192
   93   HH11  ARG  13          HH11      ARG  13  -6.560  -9.777  -3.347
   94   HH12  ARG  13          HH12      ARG  13  -8.228  -9.813  -3.625
   95   HH21  ARG  13          HH21      ARG  13  -9.115 -10.062  -0.177
   96   HH22  ARG  13          HH22      ARG  13  -9.730  -9.954  -1.761
   97    H    SER  14           H        SER  14  -2.900  -6.274   0.801
   98    HA   SER  14           HA       SER  14  -0.469  -7.263  -0.119
   99    HB2  SER  14           HB2      SER  14  -1.368  -4.410   0.318
  100    HB3  SER  14           HB1      SER  14   0.002  -4.890  -0.684
  101    HG   SER  14           HG       SER  14  -1.317  -5.691  -2.161
  102    H    LEU  15           H        LEU  15  -1.288  -5.701   2.917
  103    HA   LEU  15           HA       LEU  15   1.355  -5.228   3.776
  104    HB2  LEU  15           HB2      LEU  15  -0.598  -4.176   4.827
  105    HB3  LEU  15           HB1      LEU  15  -1.129  -5.738   5.411
  106    HG   LEU  15           HG       LEU  15   0.891  -5.878   6.828
  107   HD11  LEU  15          HD11      LEU  15   1.407  -3.067   5.865
  108   HD12  LEU  15          HD12      LEU  15   2.356  -4.500   5.482
  109   HD13  LEU  15          HD13      LEU  15   2.292  -3.908   7.146
  110   HD21  LEU  15          HD21      LEU  15  -0.751  -3.381   7.205
  111   HD22  LEU  15          HD22      LEU  15   0.199  -4.185   8.454
  112   HD23  LEU  15          HD23      LEU  15  -1.193  -5.004   7.738
  113    H    ARG  16           H        ARG  16  -0.892  -7.868   4.363
  114    HA   ARG  16           HA       ARG  16   0.753  -9.476   5.964
  115    HB2  ARG  16           HB2      ARG  16  -1.554 -10.178   4.167
  116    HB3  ARG  16           HB1      ARG  16  -0.800 -11.306   5.284
  117    HG2  ARG  16           HG2      ARG  16  -1.474 -10.012   7.161
  118    HG3  ARG  16           HG1      ARG  16  -2.028  -8.696   6.126
  119    HD2  ARG  16           HD2      ARG  16  -3.869 -10.075   6.997
  120    HD3  ARG  16           HD1      ARG  16  -3.786 -10.087   5.235
  121    HE   ARG  16           HE       ARG  16  -2.349 -12.270   6.076
  122   HH11  ARG  16          HH11      ARG  16  -5.678 -11.177   6.512
  123   HH12  ARG  16          HH12      ARG  16  -6.331 -12.755   6.536
  124   HH21  ARG  16          HH21      ARG  16  -3.246 -14.400   6.045
  125   HH22  ARG  16          HH22      ARG  16  -4.921 -14.635   6.257
  126    H    ASN  17           H        ASN  17   0.375  -9.342   2.469
  127    HA   ASN  17           HA       ASN  17   2.073 -11.646   2.105
  128    HB2  ASN  17           HB2      ASN  17   0.766  -9.809   0.116
  129    HB3  ASN  17           HB1      ASN  17   1.888 -11.076  -0.365
  130   HD21  ASN  17          HD21      ASN  17  -1.199 -10.377   0.996
  131   HD22  ASN  17          HD22      ASN  17  -1.881 -11.950   0.785
  132    H    GLY  18           H        GLY  18   2.573  -8.365   2.468
  133    HA2  GLY  18           HA2      GLY  18   4.762  -7.614   3.031
  134    HA3  GLY  18           HA1      GLY  18   5.423  -8.927   2.075
  135    H    ASP  19           H        ASP  19   2.965  -7.342   0.431
  136    HA   ASP  19           HA       ASP  19   4.718  -6.258  -1.561
  137    HB2  ASP  19           HB2      ASP  19   1.791  -5.716  -1.004
  138    HB3  ASP  19           HB1      ASP  19   2.642  -5.132  -2.426
  139    H    CYS  20           H        CYS  20   3.037  -5.133   1.171
  140    HA   CYS  20           HA       CYS  20   3.409  -2.333   0.865
  141    HB2  CYS  20           HB2      CYS  20   1.590  -3.406   2.158
  142    HB3  CYS  20           HB1      CYS  20   2.802  -4.014   3.277
  143    H    ASP  21           H        ASP  21   5.552  -4.821   1.671
  144    HA   ASP  21           HA       ASP  21   7.304  -3.005   3.203
  145    HB2  ASP  21           HB2      ASP  21   6.602  -5.071   4.380
  146    HB3  ASP  21           HB1      ASP  21   7.315  -6.028   3.090
  147    H    ASN  22           H        ASN  22   6.764  -4.386   0.249
  148    HA   ASN  22           HA       ASN  22   9.495  -5.053  -0.334
  149    HB2  ASN  22           HB2      ASN  22   7.617  -6.432  -1.197
  150    HB3  ASN  22           HB1      ASN  22   7.088  -5.058  -2.159
  151   HD21  ASN  22          HD21      ASN  22   9.581  -7.398  -1.688
  152   HD22  ASN  22          HD22      ASN  22  10.286  -7.284  -3.258
  153    H    ASP  23           H        ASP  23  10.882  -3.616  -0.872
  154    HA   ASP  23           HA       ASP  23  10.501  -0.902  -1.136
  155    HB2  ASP  23           HB2      ASP  23  12.686  -1.906  -0.692
  156    HB3  ASP  23           HB1      ASP  23  12.740  -2.540  -2.332
  157    H    ASP  24           H        ASP  24  10.788  -3.273  -3.683
  158    HA   ASP  24           HA       ASP  24  10.764  -1.581  -5.902
  159    HB2  ASP  24           HB2      ASP  24  11.420  -3.912  -6.020
  160    HB3  ASP  24           HB1      ASP  24   9.792  -4.412  -5.601
  161    H    LYS  25           H        LYS  25   8.124  -2.780  -3.950
  162    HA   LYS  25           HA       LYS  25   6.136  -1.935  -5.924
  163    HB2  LYS  25           HB2      LYS  25   5.629  -3.252  -3.241
  164    HB3  LYS  25           HB1      LYS  25   4.536  -3.118  -4.611
  165    HG2  LYS  25           HG2      LYS  25   7.044  -4.729  -4.550
  166    HG3  LYS  25           HG1      LYS  25   5.406  -5.341  -4.334
  167    HD2  LYS  25           HD2      LYS  25   4.830  -4.591  -6.574
  168    HD3  LYS  25           HD1      LYS  25   6.462  -3.944  -6.778
  169    HE2  LYS  25           HE2      LYS  25   5.828  -6.765  -6.130
  170    HE3  LYS  25           HE1      LYS  25   6.097  -6.199  -7.789
  171    HZ1  LYS  25           HZ1      LYS  25   8.077  -6.087  -5.546
  172    HZ2  LYS  25           HZ2      LYS  25   8.336  -5.512  -7.108
  173    HZ3  LYS  25           HZ3      LYS  25   8.130  -7.156  -6.843
  174    H    LEU  26           H        LEU  26   7.814  -0.580  -3.384
  175    HA   LEU  26           HA       LEU  26   5.823   0.590  -1.857
  176    HB2  LEU  26           HB2      LEU  26   8.650   1.488  -2.250
  177    HB3  LEU  26           HB1      LEU  26   7.544   2.297  -1.159
  178    HG   LEU  26           HG       LEU  26   8.482  -0.562  -0.959
  179   HD11  LEU  26          HD11      LEU  26   9.014   1.843   0.776
  180   HD12  LEU  26          HD12      LEU  26  10.162   1.087  -0.325
  181   HD13  LEU  26          HD13      LEU  26   9.577   0.200   1.085
  182   HD21  LEU  26          HD21      LEU  26   6.191  -0.416  -0.185
  183   HD22  LEU  26          HD22      LEU  26   6.581   0.998   0.789
  184   HD23  LEU  26          HD23      LEU  26   7.270  -0.573   1.201
  185    H    LEU  27           H        LEU  27   7.129   1.881  -4.924
  186    HA   LEU  27           HA       LEU  27   6.147   4.423  -4.727
  187    HB2  LEU  27           HB2      LEU  27   7.556   3.110  -6.488
  188    HB3  LEU  27           HB1      LEU  27   5.991   2.735  -7.168
  189    HG   LEU  27           HG       LEU  27   7.219   4.489  -8.234
  190   HD11  LEU  27          HD11      LEU  27   5.304   6.090  -8.479
  191   HD12  LEU  27          HD12      LEU  27   4.585   5.390  -7.031
  192   HD13  LEU  27          HD13      LEU  27   4.764   4.409  -8.487
  193   HD21  LEU  27          HD21      LEU  27   6.702   6.072  -5.738
  194   HD22  LEU  27          HD22      LEU  27   7.320   6.752  -7.245
  195   HD23  LEU  27          HD23      LEU  27   8.263   5.548  -6.362
  196    H    GLU  28           H        GLU  28   4.642   1.454  -5.927
  197    HA   GLU  28           HA       GLU  28   2.108   2.520  -6.506
  198    HB2  GLU  28           HB2      GLU  28   3.163  -0.255  -6.086
  199    HB3  GLU  28           HB1      GLU  28   1.434   0.005  -6.200
  200    HG2  GLU  28           HG2      GLU  28   2.477  -0.691  -8.330
  201    HG3  GLU  28           HG1      GLU  28   1.644   0.852  -8.429
  202    H    MET  29           H        MET  29   3.579   1.308  -3.605
  203    HA   MET  29           HA       MET  29   1.094   0.986  -2.168
  204    HB2  MET  29           HB2      MET  29   3.924   1.129  -1.116
  205    HB3  MET  29           HB1      MET  29   2.515   0.689  -0.184
  206    HG2  MET  29           HG2      MET  29   3.589  -0.899  -2.516
  207    HG3  MET  29           HG1      MET  29   3.972  -1.225  -0.839
  208    HE1  MET  29           HE1      MET  29   0.044  -2.282  -3.033
  209    HE2  MET  29           HE2      MET  29   1.581  -1.879  -3.790
  210    HE3  MET  29          3HE       MET  29   0.604  -0.615  -3.054
  211    H    GLY  30           H        GLY  30   3.331   3.517  -2.782
  212    HA2  GLY  30           HA2      GLY  30   2.682   5.193  -0.622
  213    HA3  GLY  30           HA1      GLY  30   3.351   5.741  -2.146
  214    H    TYR  31           H        TYR  31   1.144   4.743  -3.734
  215    HA   TYR  31           HA       TYR  31  -0.749   6.732  -2.872
  216    HB2  TYR  31           HB2      TYR  31  -1.689   6.694  -5.211
  217    HB3  TYR  31           HB1      TYR  31  -0.063   7.318  -4.957
  218    HD1  TYR  31           HD1      TYR  31  -2.033   4.596  -6.401
  219    HD2  TYR  31           HD2      TYR  31   1.833   6.281  -5.964
  220    HE1  TYR  31           HE1      TYR  31  -1.225   3.216  -8.229
  221    HE2  TYR  31           HE2      TYR  31   2.659   4.917  -7.762
  222    HH   TYR  31           HH       TYR  31   2.135   2.906  -8.963
  223    H    TYR  32           H        TYR  32  -0.648   3.423  -3.734
  224    HA   TYR  32           HA       TYR  32  -3.455   3.026  -3.421
  225    HB2  TYR  32           HB2      TYR  32  -1.189   1.054  -3.548
  226    HB3  TYR  32           HB1      TYR  32  -2.785   0.510  -3.083
  227    HD1  TYR  32           HD1      TYR  32  -0.633   0.882  -5.780
  228    HD2  TYR  32           HD2      TYR  32  -4.699   1.422  -4.685
  229    HE1  TYR  32           HE1      TYR  32  -1.291   0.722  -8.143
  230    HE2  TYR  32           HE2      TYR  32  -5.370   1.263  -7.016
  231    HH   TYR  32           HH       TYR  32  -3.316   0.157  -9.466
  232    H    CYS  33           H        CYS  33  -0.768   2.617  -1.126
  233    HA   CYS  33           HA       CYS  33  -2.797   2.351   0.973
  234    HB2  CYS  33           HB2      CYS  33  -0.359   0.600   0.714
  235    HB3  CYS  33           HB1      CYS  33  -1.605   0.517   1.956
  236    HA   PRO  34           HA       PRO  34   0.857   5.250   1.889
  237    HB2  PRO  34           HB2      PRO  34  -0.599   7.436   2.577
  238    HB3  PRO  34           HB1      PRO  34  -0.057   7.109   0.926
  239    HG2  PRO  34           HG2      PRO  34  -2.711   6.529   2.187
  240    HG3  PRO  34           HG1      PRO  34  -2.382   7.272   0.617
  241    HD2  PRO  34           HD2      PRO  34  -3.030   4.703   0.799
  242    HD3  PRO  34           HD1      PRO  34  -1.798   5.242  -0.358
  243    H    VAL  35           H        VAL  35  -2.130   4.451   3.441
  244    HA   VAL  35           HA       VAL  35  -1.174   5.385   5.994
  245    HB   VAL  35           HB       VAL  35  -3.778   4.015   5.318
  246   HG11  VAL  35          HG11      VAL  35  -2.881   5.414   7.839
  247   HG12  VAL  35          HG12      VAL  35  -3.127   3.679   7.661
  248   HG13  VAL  35          3HG1      VAL  35  -4.504   4.783   7.540
  249   HG21  VAL  35          HG21      VAL  35  -4.699   6.275   5.550
  250   HG22  VAL  35          HG22      VAL  35  -3.470   6.154   4.266
  251   HG23  VAL  35          HG23      VAL  35  -3.054   6.885   5.803
  252    H    THR  36           H        THR  36  -2.115   2.315   4.544
  253    HA   THR  36           HA       THR  36  -1.520   0.677   6.742
  254    HB   THR  36           HB       THR  36  -1.287  -0.061   3.818
  255    HG1  THR  36           HG1      THR  36  -3.363   0.868   4.662
  256   HG21  THR  36          HG21      THR  36  -0.316  -1.732   5.325
  257   HG22  THR  36          HG22      THR  36  -1.807  -2.324   4.586
  258   HG23  THR  36          HG23      THR  36  -1.815  -1.757   6.256
  259    H    CYS  37           H        CYS  37   0.566   1.717   4.078
  260    HA   CYS  37           HA       CYS  37   2.777   0.225   5.124
  261    HB2  CYS  37           HB2      CYS  37   2.521   2.100   2.819
  262    HB3  CYS  37           HB1      CYS  37   3.991   1.175   3.168
  263    H    GLY  38           H        GLY  38   1.504   3.042   6.141
  264    HA2  GLY  38           HA2      GLY  38   2.332   4.486   7.732
  265    HA3  GLY  38           HA1      GLY  38   3.839   3.596   7.679
  266    H    PHE  39           H        PHE  39   2.217   5.420   5.094
  267    HA   PHE  39           HA       PHE  39   4.600   7.095   4.786
  268    HB2  PHE  39           HB2      PHE  39   2.046   6.864   3.169
  269    HB3  PHE  39           HB1      PHE  39   3.322   8.004   2.807
  270    HD1  PHE  39           HD1      PHE  39   2.333   4.499   2.801
  271    HD2  PHE  39           HD2      PHE  39   5.327   7.305   1.742
  272    HE1  PHE  39           HE1      PHE  39   3.428   2.807   1.305
  273    HE2  PHE  39           HE2      PHE  39   6.409   5.643   0.292
  274    HZ   PHE  39           HZ       PHE  39   5.451   3.395   0.080
  275    HA   CYS  40           HA       CYS  40   1.547   9.946   6.601
  276    HB2  CYS  40           HB2      CYS  40  -0.847   8.105   6.491
  277    HB3  CYS  40           HB1      CYS  40  -0.857   9.864   6.606
  278    HN1  NH2  41           H1       CYS  40   2.666   9.795   8.551
  279    HN2  NH2  41           H2       CYS  40   1.994   9.090   9.972
  Start of MODEL   19
    1    H1   GLU   1           HT1      GLU   1  -4.236  17.202  -0.617
    2    H2   GLU   1           HT2      GLU   1  -3.241  17.037  -1.977
    3    H3   GLU   1           HT3      GLU   1  -2.704  16.554  -0.444
    4    HA   GLU   1           HA       GLU   1  -4.955  15.312  -1.855
    5    HB2  GLU   1           HB2      GLU   1  -2.821  14.776  -2.946
    6    HB3  GLU   1           HB1      GLU   1  -2.112  14.361  -1.394
    7    HG2  GLU   1           HG2      GLU   1  -2.665  12.358  -2.648
    8    HG3  GLU   1           HG1      GLU   1  -3.670  12.472  -1.206
    9    H    HIS   2           H        HIS   2  -6.072  13.900  -0.639
   10    HA   HIS   2           HA       HIS   2  -5.386  13.854   2.181
   11    HB2  HIS   2           HB2      HIS   2  -7.943  13.034   0.760
   12    HB3  HIS   2           HB1      HIS   2  -7.681  12.884   2.493
   13    HD1  HIS   2           HD1      HIS   2  -8.264  14.928   3.892
   14    HD2  HIS   2           HD2      HIS   2  -7.900  15.773  -0.155
   15    HE1  HIS   2           HE1      HIS   2  -8.925  17.336   3.626
   16    H    CYS   3           H        CYS   3  -4.202  12.257   2.807
   17    HA   CYS   3           HA       CYS   3  -3.851  10.027   1.050
   18    HB2  CYS   3           HB2      CYS   3  -1.998   9.441   2.635
   19    HB3  CYS   3           HB1      CYS   3  -1.849  11.012   1.862
   20    H    ALA   4           H        ALA   4  -5.410   8.581   1.164
   21    HA   ALA   4           HA       ALA   4  -5.853   7.295   3.736
   22    HB1  ALA   4           HB1      ALA   4  -8.246   7.074   3.185
   23    HB2  ALA   4           HB2      ALA   4  -7.998   8.079   1.756
   24    HB3  ALA   4           HB3      ALA   4  -7.764   8.760   3.365
   25    H    ASP   5           H        ASP   5  -5.998   5.141   3.566
   26    HA   ASP   5           HA       ASP   5  -4.873   3.779   1.402
   27    HB2  ASP   5           HB2      ASP   5  -6.841   2.578   3.358
   28    HB3  ASP   5           HB1      ASP   5  -5.594   1.734   2.453
   29    H    GLU   6           H        GLU   6  -5.612   3.012  -0.441
   30    HA   GLU   6           HA       GLU   6  -7.992   3.947  -1.533
   31    HB2  GLU   6           HB2      GLU   6  -5.978   3.468  -2.829
   32    HB3  GLU   6           HB1      GLU   6  -6.121   1.762  -2.454
   33    HG2  GLU   6           HG2      GLU   6  -6.848   2.278  -4.705
   34    HG3  GLU   6           HG1      GLU   6  -8.161   1.627  -3.718
   35    H    LYS   7           H        LYS   7  -9.890   2.969  -1.992
   36    HA   LYS   7           HA       LYS   7 -10.578   0.877  -0.114
   37    HB2  LYS   7           HB2      LYS   7 -12.913   1.389  -0.645
   38    HB3  LYS   7           HB1      LYS   7 -11.988   2.767  -0.068
   39    HG2  LYS   7           HG2      LYS   7 -11.755   3.542  -2.384
   40    HG3  LYS   7           HG1      LYS   7 -12.739   2.172  -2.905
   41    HD2  LYS   7           HD2      LYS   7 -14.160   4.100  -2.731
   42    HD3  LYS   7           HD1      LYS   7 -14.513   2.942  -1.430
   43    HE2  LYS   7           HE2      LYS   7 -13.287   4.268   0.163
   44    HE3  LYS   7           HE1      LYS   7 -12.757   5.367  -1.109
   45    HZ1  LYS   7           HZ1      LYS   7 -15.555   4.991  -0.178
   46    HZ2  LYS   7           HZ2      LYS   7 -15.056   6.027  -1.415
   47    HZ3  LYS   7           HZ3      LYS   7 -14.546   6.304   0.144
   48    H    ASN   8           H        ASN   8 -10.191   1.201  -3.451
   49    HA   ASN   8           HA       ASN   8 -11.422  -1.437  -3.862
   50    HB2  ASN   8           HB2      ASN   8 -11.121  -1.160  -6.288
   51    HB3  ASN   8           HB1      ASN   8 -11.959   0.221  -5.608
   52   HD21  ASN   8          HD21      ASN   8 -11.052   2.196  -5.784
   53   HD22  ASN   8          HD22      ASN   8  -9.600   2.517  -6.651
   54    H    PHE   9           H        PHE   9  -8.740  -0.559  -2.665
   55    HA   PHE   9           HA       PHE   9  -7.061  -2.685  -3.866
   56    HB2  PHE   9           HB2      PHE   9  -6.288  -0.244  -4.029
   57    HB3  PHE   9           HB1      PHE   9  -6.171  -0.301  -2.271
   58    HD1  PHE   9           HD1      PHE   9  -5.046  -1.949  -5.327
   59    HD2  PHE   9           HD2      PHE   9  -4.278  -1.162  -1.249
   60    HE1  PHE   9           HE1      PHE   9  -2.884  -2.967  -5.571
   61    HE2  PHE   9           HE2      PHE   9  -2.064  -2.182  -1.458
   62    HZ   PHE   9           HZ       PHE   9  -1.334  -3.089  -3.622
   63    H    ASP  10           H        ASP  10  -6.411  -4.216  -2.358
   64    HA   ASP  10           HA       ASP  10  -7.530  -3.823   0.317
   65    HB2  ASP  10           HB2      ASP  10  -7.937  -5.989  -0.964
   66    HB3  ASP  10           HB1      ASP  10  -6.239  -6.359  -0.668
   67    H    CYS  11           H        CYS  11  -6.250  -2.760   1.547
   68    HA   CYS  11           HA       CYS  11  -3.426  -2.772   1.248
   69    HB2  CYS  11           HB2      CYS  11  -5.165  -1.559   3.377
   70    HB3  CYS  11           HB1      CYS  11  -3.435  -1.280   3.200
   71    H    ARG  12           H        ARG  12  -5.629  -4.562   3.259
   72    HA   ARG  12           HA       ARG  12  -3.679  -5.126   5.290
   73    HB2  ARG  12           HB2      ARG  12  -6.195  -6.687   4.699
   74    HB3  ARG  12           HB1      ARG  12  -5.267  -6.732   6.183
   75    HG2  ARG  12           HG2      ARG  12  -7.060  -4.568   5.141
   76    HG3  ARG  12           HG1      ARG  12  -7.168  -5.474   6.644
   77    HD2  ARG  12           HD2      ARG  12  -5.160  -3.338   5.916
   78    HD3  ARG  12           HD1      ARG  12  -6.413  -3.240   7.145
   79    HE   ARG  12           HE       ARG  12  -4.730  -5.372   7.782
   80   HH11  ARG  12          HH11      ARG  12  -4.622  -1.835   7.634
   81   HH12  ARG  12          HH12      ARG  12  -3.349  -1.701   8.762
   82   HH21  ARG  12          HH21      ARG  12  -2.982  -5.180   9.256
   83   HH22  ARG  12          HH22      ARG  12  -2.356  -3.655   9.690
   84    H    ARG  13           H        ARG  13  -5.068  -6.851   2.596
   85    HA   ARG  13           HA       ARG  13  -3.639  -9.247   2.729
   86    HB2  ARG  13           HB2      ARG  13  -5.544  -8.789   1.207
   87    HB3  ARG  13           HB1      ARG  13  -4.493  -7.750   0.260
   88    HG2  ARG  13           HG2      ARG  13  -2.999  -9.805   0.000
   89    HG3  ARG  13           HG1      ARG  13  -4.400 -10.717   0.575
   90    HD2  ARG  13           HD2      ARG  13  -4.450 -10.681  -1.820
   91    HD3  ARG  13           HD1      ARG  13  -5.745  -9.648  -1.201
   92    HE   ARG  13           HE       ARG  13  -3.177  -8.499  -1.990
   93   HH11  ARG  13          HH11      ARG  13  -6.701  -8.658  -2.423
   94   HH12  ARG  13          HH12      ARG  13  -6.744  -7.350  -3.512
   95   HH21  ARG  13          HH21      ARG  13  -3.252  -6.714  -3.472
   96   HH22  ARG  13          HH22      ARG  13  -4.742  -6.230  -4.132
   97    H    SER  14           H        SER  14  -2.960  -6.280   0.901
   98    HA   SER  14           HA       SER  14  -0.590  -7.111  -0.268
   99    HB2  SER  14           HB2      SER  14  -1.479  -4.321   0.469
  100    HB3  SER  14           HB1      SER  14  -0.231  -4.708  -0.715
  101    HG   SER  14           HG       SER  14  -2.991  -4.915  -0.898
  102    H    LEU  15           H        LEU  15  -1.157  -5.641   2.879
  103    HA   LEU  15           HA       LEU  15   1.561  -5.179   3.495
  104    HB2  LEU  15           HB2      LEU  15  -0.363  -4.079   4.607
  105    HB3  LEU  15           HB1      LEU  15  -0.777  -5.610   5.349
  106    HG   LEU  15           HG       LEU  15   1.409  -5.581   6.519
  107   HD11  LEU  15          HD11      LEU  15   2.656  -3.479   6.613
  108   HD12  LEU  15          HD12      LEU  15   1.590  -2.798   5.379
  109   HD13  LEU  15          HD13      LEU  15   2.627  -4.174   4.993
  110   HD21  LEU  15          HD21      LEU  15  -0.380  -3.205   6.985
  111   HD22  LEU  15          HD22      LEU  15   0.772  -3.870   8.142
  112   HD23  LEU  15          HD23      LEU  15  -0.616  -4.832   7.622
  113    H    ARG  16           H        ARG  16  -0.723  -7.816   4.279
  114    HA   ARG  16           HA       ARG  16   1.034  -9.361   5.789
  115    HB2  ARG  16           HB2      ARG  16  -1.561  -9.287   5.533
  116    HB3  ARG  16           HB1      ARG  16  -1.288 -10.398   4.205
  117    HG2  ARG  16           HG2      ARG  16  -0.361 -10.832   6.998
  118    HG3  ARG  16           HG1      ARG  16  -1.904 -11.418   6.374
  119    HD2  ARG  16           HD2      ARG  16   0.833 -12.168   5.315
  120    HD3  ARG  16           HD1      ARG  16  -0.139 -13.182   6.381
  121    HE   ARG  16           HE       ARG  16  -1.818 -12.838   4.400
  122   HH11  ARG  16          HH11      ARG  16   1.629 -13.632   4.267
  123   HH12  ARG  16          HH12      ARG  16   1.555 -14.512   2.822
  124   HH21  ARG  16          HH21      ARG  16  -1.975 -14.105   2.449
  125   HH22  ARG  16          HH22      ARG  16  -0.592 -14.808   1.752
  126    H    ASN  17           H        ASN  17   0.243  -9.206   2.384
  127    HA   ASN  17           HA       ASN  17   1.518 -11.634   1.581
  128    HB2  ASN  17           HB2      ASN  17   0.561  -9.239   0.040
  129    HB3  ASN  17           HB1      ASN  17   1.503 -10.485  -0.752
  130   HD21  ASN  17          HD21      ASN  17  -0.783 -11.274   1.774
  131   HD22  ASN  17          HD22      ASN  17  -1.944 -12.009   0.724
  132    H    GLY  18           H        GLY  18   2.566  -8.293   1.691
  133    HA2  GLY  18           HA2      GLY  18   4.973  -8.072   2.278
  134    HA3  GLY  18           HA1      GLY  18   5.261  -9.294   1.051
  135    H    ASP  19           H        ASP  19   2.806  -7.254   0.092
  136    HA   ASP  19           HA       ASP  19   4.277  -6.186  -2.071
  137    HB2  ASP  19           HB2      ASP  19   1.577  -5.481  -0.943
  138    HB3  ASP  19           HB1      ASP  19   2.221  -4.740  -2.402
  139    H    CYS  20           H        CYS  20   3.610  -5.057   1.121
  140    HA   CYS  20           HA       CYS  20   4.525  -2.361   0.474
  141    HB2  CYS  20           HB2      CYS  20   2.490  -2.616   1.867
  142    HB3  CYS  20           HB1      CYS  20   3.415  -3.500   3.062
  143    H    ASP  21           H        ASP  21   5.933  -5.205   1.152
  144    HA   ASP  21           HA       ASP  21   8.178  -3.929   2.597
  145    HB2  ASP  21           HB2      ASP  21   7.170  -5.882   3.740
  146    HB3  ASP  21           HB1      ASP  21   7.455  -6.859   2.310
  147    H    ASN  22           H        ASN  22   7.089  -5.023  -0.322
  148    HA   ASN  22           HA       ASN  22   9.630  -5.892  -1.372
  149    HB2  ASN  22           HB2      ASN  22   7.584  -7.068  -1.999
  150    HB3  ASN  22           HB1      ASN  22   6.923  -5.585  -2.673
  151   HD21  ASN  22          HD21      ASN  22   7.600  -4.917  -4.638
  152   HD22  ASN  22          HD22      ASN  22   8.616  -5.856  -5.672
  153    H    ASP  23           H        ASP  23  11.024  -4.553  -2.194
  154    HA   ASP  23           HA       ASP  23  10.861  -1.801  -2.019
  155    HB2  ASP  23           HB2      ASP  23  12.966  -3.090  -2.111
  156    HB3  ASP  23           HB1      ASP  23  12.720  -3.319  -3.839
  157    H    ASP  24           H        ASP  24  10.413  -3.718  -4.949
  158    HA   ASP  24           HA       ASP  24  10.207  -1.357  -6.536
  159    HB2  ASP  24           HB2      ASP  24   9.613  -2.757  -8.446
  160    HB3  ASP  24           HB1      ASP  24  11.003  -3.408  -7.597
  161    H    LYS  25           H        LYS  25   7.916  -2.709  -4.466
  162    HA   LYS  25           HA       LYS  25   5.714  -1.550  -6.009
  163    HB2  LYS  25           HB2      LYS  25   5.813  -3.445  -3.694
  164    HB3  LYS  25           HB1      LYS  25   4.335  -2.746  -4.329
  165    HG2  LYS  25           HG2      LYS  25   4.596  -3.890  -6.392
  166    HG3  LYS  25           HG1      LYS  25   6.227  -4.419  -5.954
  167    HD2  LYS  25           HD2      LYS  25   5.449  -5.779  -4.243
  168    HD3  LYS  25           HD1      LYS  25   3.852  -5.042  -4.290
  169    HE2  LYS  25           HE2      LYS  25   3.464  -6.081  -6.492
  170    HE3  LYS  25           HE1      LYS  25   5.093  -6.750  -6.469
  171    HZ1  LYS  25           HZ1      LYS  25   2.900  -7.422  -4.582
  172    HZ2  LYS  25           HZ2      LYS  25   4.466  -8.073  -4.531
  173    HZ3  LYS  25           HZ3      LYS  25   3.467  -8.416  -5.826
  174    H    LEU  26           H        LEU  26   7.841  -0.777  -3.572
  175    HA   LEU  26           HA       LEU  26   6.323   0.193  -1.486
  176    HB2  LEU  26           HB2      LEU  26   9.000   1.124  -2.477
  177    HB3  LEU  26           HB1      LEU  26   8.272   1.711  -0.990
  178    HG   LEU  26           HG       LEU  26   9.027  -1.136  -1.602
  179   HD11  LEU  26          HD11      LEU  26  10.963   0.312  -1.324
  180   HD12  LEU  26          HD12      LEU  26  10.787  -0.761   0.067
  181   HD13  LEU  26          HD13      LEU  26  10.297   0.930   0.187
  182   HD21  LEU  26          HD21      LEU  26   7.144  -1.043  -0.085
  183   HD22  LEU  26          HD22      LEU  26   7.978   0.145   0.911
  184   HD23  LEU  26          HD23      LEU  26   8.602  -1.499   0.795
  185    H    LEU  27           H        LEU  27   7.456   2.190  -4.286
  186    HA   LEU  27           HA       LEU  27   6.362   4.547  -3.468
  187    HB2  LEU  27           HB2      LEU  27   7.977   3.916  -5.334
  188    HB3  LEU  27           HB1      LEU  27   6.565   3.522  -6.272
  189    HG   LEU  27           HG       LEU  27   7.681   5.610  -6.728
  190   HD11  LEU  27          HD11      LEU  27   5.365   5.336  -7.454
  191   HD12  LEU  27          HD12      LEU  27   5.577   7.003  -6.904
  192   HD13  LEU  27          HD13      LEU  27   4.787   5.821  -5.861
  193   HD21  LEU  27          HD21      LEU  27   7.276   7.576  -5.291
  194   HD22  LEU  27          HD22      LEU  27   8.259   6.327  -4.517
  195   HD23  LEU  27          HD23      LEU  27   6.557   6.506  -4.092
  196    H    GLU  28           H        GLU  28   4.957   1.857  -5.300
  197    HA   GLU  28           HA       GLU  28   2.491   3.049  -5.974
  198    HB2  GLU  28           HB2      GLU  28   3.151   0.134  -5.529
  199    HB3  GLU  28           HB1      GLU  28   1.686   0.734  -6.288
  200    HG2  GLU  28           HG2      GLU  28   3.030   1.696  -8.093
  201    HG3  GLU  28           HG1      GLU  28   4.487   1.063  -7.327
  202    H    MET  29           H        MET  29   3.644   1.316  -3.195
  203    HA   MET  29           HA       MET  29   1.095   1.015  -1.982
  204    HB2  MET  29           HB2      MET  29   3.901   0.667  -0.978
  205    HB3  MET  29           HB1      MET  29   2.501   0.387   0.053
  206    HG2  MET  29           HG2      MET  29   3.259  -1.066  -2.473
  207    HG3  MET  29           HG1      MET  29   3.280  -1.706  -0.834
  208    HE1  MET  29           HE1      MET  29   0.991  -1.859   0.652
  209    HE2  MET  29           HE2      MET  29  -0.616  -1.567  -0.028
  210    HE3  MET  29          3HE       MET  29   0.541  -0.239   0.124
  211    H    GLY  30           H        GLY  30   3.485   3.396  -2.071
  212    HA2  GLY  30           HA2      GLY  30   2.745   4.854   0.244
  213    HA3  GLY  30           HA1      GLY  30   3.664   5.515  -1.088
  214    H    TYR  31           H        TYR  31   1.409   4.744  -2.958
  215    HA   TYR  31           HA       TYR  31  -0.329   6.874  -2.084
  216    HB2  TYR  31           HB2      TYR  31  -1.208   7.022  -4.466
  217    HB3  TYR  31           HB1      TYR  31   0.422   7.562  -4.113
  218    HD1  TYR  31           HD1      TYR  31  -1.505   4.788  -5.630
  219    HD2  TYR  31           HD2      TYR  31   2.224   6.761  -5.261
  220    HE1  TYR  31           HE1      TYR  31  -0.648   3.508  -7.517
  221    HE2  TYR  31           HE2      TYR  31   3.118   5.495  -7.109
  222    HH   TYR  31           HH       TYR  31   2.738   3.566  -8.411
  223    H    TYR  32           H        TYR  32  -0.449   3.647  -3.158
  224    HA   TYR  32           HA       TYR  32  -3.251   3.398  -3.008
  225    HB2  TYR  32           HB2      TYR  32  -1.070   1.360  -2.983
  226    HB3  TYR  32           HB1      TYR  32  -2.705   0.871  -2.569
  227    HD1  TYR  32           HD1      TYR  32  -0.448   1.142  -5.202
  228    HD2  TYR  32           HD2      TYR  32  -4.527   1.825  -4.247
  229    HE1  TYR  32           HE1      TYR  32  -1.036   0.960  -7.583
  230    HE2  TYR  32           HE2      TYR  32  -5.127   1.645  -6.608
  231    HH   TYR  32           HH       TYR  32  -4.061   1.926  -8.752
  232    H    CYS  33           H        CYS  33  -0.802   2.720  -0.492
  233    HA   CYS  33           HA       CYS  33  -3.032   2.883   1.375
  234    HB2  CYS  33           HB2      CYS  33  -0.902   0.755   1.546
  235    HB3  CYS  33           HB1      CYS  33  -2.296   0.976   2.602
  236    HA   PRO  34           HA       PRO  34   0.624   5.485   2.500
  237    HB2  PRO  34           HB2      PRO  34  -0.771   7.698   3.164
  238    HB3  PRO  34           HB1      PRO  34  -0.310   7.324   1.495
  239    HG2  PRO  34           HG2      PRO  34  -2.906   6.797   2.889
  240    HG3  PRO  34           HG1      PRO  34  -2.645   7.542   1.308
  241    HD2  PRO  34           HD2      PRO  34  -3.312   4.989   1.536
  242    HD3  PRO  34           HD1      PRO  34  -2.146   5.509   0.299
  243    H    VAL  35           H        VAL  35  -2.372   4.694   4.082
  244    HA   VAL  35           HA       VAL  35  -1.335   5.643   6.586
  245    HB   VAL  35           HB       VAL  35  -3.986   4.311   6.010
  246   HG11  VAL  35          HG11      VAL  35  -2.998   5.739   8.479
  247   HG12  VAL  35          HG12      VAL  35  -3.290   4.006   8.342
  248   HG13  VAL  35          3HG1      VAL  35  -4.644   5.141   8.232
  249   HG21  VAL  35          HG21      VAL  35  -4.871   6.593   6.180
  250   HG22  VAL  35          HG22      VAL  35  -3.642   6.445   4.904
  251   HG23  VAL  35          HG23      VAL  35  -3.222   7.185   6.436
  252    H    THR  36           H        THR  36  -2.295   2.613   5.123
  253    HA   THR  36           HA       THR  36  -1.642   0.856   7.210
  254    HB   THR  36           HB       THR  36  -1.420   0.289   4.253
  255    HG1  THR  36           HG1      THR  36  -3.426   1.249   4.690
  256   HG21  THR  36          HG21      THR  36  -2.143  -1.482   6.597
  257   HG22  THR  36          HG22      THR  36  -0.620  -1.511   5.708
  258   HG23  THR  36          HG23      THR  36  -2.117  -1.981   4.905
  259    H    CYS  37           H        CYS  37   0.359   2.195   4.607
  260    HA   CYS  37           HA       CYS  37   2.623   0.695   5.562
  261    HB2  CYS  37           HB2      CYS  37   2.200   2.400   3.137
  262    HB3  CYS  37           HB1      CYS  37   3.777   1.714   3.552
  263    H    GLY  38           H        GLY  38   1.311   3.268   6.786
  264    HA2  GLY  38           HA2      GLY  38   2.106   4.692   8.392
  265    HA3  GLY  38           HA1      GLY  38   3.653   3.899   8.228
  266    H    PHE  39           H        PHE  39   1.874   5.834   5.848
  267    HA   PHE  39           HA       PHE  39   4.140   7.698   5.784
  268    HB2  PHE  39           HB2      PHE  39   1.793   7.369   3.887
  269    HB3  PHE  39           HB1      PHE  39   3.050   8.584   3.709
  270    HD1  PHE  39           HD1      PHE  39   2.239   5.045   3.471
  271    HD2  PHE  39           HD2      PHE  39   5.228   7.993   2.937
  272    HE1  PHE  39           HE1      PHE  39   3.613   3.432   2.161
  273    HE2  PHE  39           HE2      PHE  39   6.601   6.410   1.650
  274    HZ   PHE  39           HZ       PHE  39   5.787   4.124   1.263
  275    HA   CYS  40           HA       CYS  40   0.797  10.095   7.614
  276    HB2  CYS  40           HB2      CYS  40  -1.536   8.717   6.251
  277    HB3  CYS  40           HB1      CYS  40  -1.586  10.297   7.030
  278    HN1  NH2  41           H1       CYS  40   1.300   9.303   9.610
  279    HN2  NH2  41           H2       CYS  40   0.250   8.305  10.551
  Start of MODEL   20
    1    H1   GLU   1           HT1      GLU   1  -7.109  15.814  -0.700
    2    H2   GLU   1           HT2      GLU   1  -6.104  14.992  -1.757
    3    H3   GLU   1           HT3      GLU   1  -6.356  16.653  -1.962
    4    HA   GLU   1           HA       GLU   1  -4.195  16.215  -1.035
    5    HB2  GLU   1           HB2      GLU   1  -5.411  18.264  -0.230
    6    HB3  GLU   1           HB1      GLU   1  -6.046  17.246   1.074
    7    HG2  GLU   1           HG2      GLU   1  -4.192  18.648   1.850
    8    HG3  GLU   1           HG1      GLU   1  -3.878  16.919   2.000
    9    H    HIS   2           H        HIS   2  -6.679  15.353   1.386
   10    HA   HIS   2           HA       HIS   2  -5.025  14.201   3.207
   11    HB2  HIS   2           HB2      HIS   2  -7.399  14.829   3.583
   12    HB3  HIS   2           HB1      HIS   2  -7.893  13.411   2.668
   13    HD1  HIS   2           HD1      HIS   2  -6.856  14.501   6.043
   14    HD2  HIS   2           HD2      HIS   2  -7.329  10.926   3.990
   15    HE1  HIS   2           HE1      HIS   2  -6.875  12.698   7.788
   16    H    CYS   3           H        CYS   3  -3.723  12.725   2.937
   17    HA   CYS   3           HA       CYS   3  -3.975  10.656   1.011
   18    HB2  CYS   3           HB2      CYS   3  -1.816   9.801   2.067
   19    HB3  CYS   3           HB1      CYS   3  -1.773  11.414   1.364
   20    H    ALA   4           H        ALA   4  -5.249   9.013   1.197
   21    HA   ALA   4           HA       ALA   4  -5.422   7.552   3.724
   22    HB1  ALA   4           HB1      ALA   4  -7.827   7.194   3.259
   23    HB2  ALA   4           HB2      ALA   4  -7.710   8.322   1.906
   24    HB3  ALA   4           HB3      ALA   4  -7.445   8.888   3.556
   25    H    ASP   5           H        ASP   5  -6.127   5.301   3.322
   26    HA   ASP   5           HA       ASP   5  -4.749   4.137   1.072
   27    HB2  ASP   5           HB2      ASP   5  -6.796   2.723   2.762
   28    HB3  ASP   5           HB1      ASP   5  -5.431   2.023   1.909
   29    H    GLU   6           H        GLU   6  -5.602   3.051  -0.668
   30    HA   GLU   6           HA       GLU   6  -7.948   4.257  -1.759
   31    HB2  GLU   6           HB2      GLU   6  -5.707   3.239  -2.852
   32    HB3  GLU   6           HB1      GLU   6  -6.729   1.822  -2.985
   33    HG2  GLU   6           HG2      GLU   6  -7.313   4.538  -4.158
   34    HG3  GLU   6           HG1      GLU   6  -6.715   3.134  -5.034
   35    H    LYS   7           H        LYS   7  -9.841   3.059  -2.438
   36    HA   LYS   7           HA       LYS   7 -10.751   1.420  -0.242
   37    HB2  LYS   7           HB2      LYS   7 -12.958   1.801  -1.069
   38    HB3  LYS   7           HB1      LYS   7 -12.069   3.314  -1.064
   39    HG2  LYS   7           HG2      LYS   7 -11.623   2.894  -3.526
   40    HG3  LYS   7           HG1      LYS   7 -12.819   1.607  -3.422
   41    HD2  LYS   7           HD2      LYS   7 -14.031   3.468  -4.160
   42    HD3  LYS   7           HD1      LYS   7 -14.330   3.349  -2.414
   43    HE2  LYS   7           HE2      LYS   7 -13.890   5.670  -3.052
   44    HE3  LYS   7           HE1      LYS   7 -12.642   5.051  -1.978
   45    HZ1  LYS   7           HZ1      LYS   7 -11.204   4.698  -3.948
   46    HZ2  LYS   7           HZ2      LYS   7 -11.692   6.302  -3.779
   47    HZ3  LYS   7           HZ3      LYS   7 -12.435   5.329  -4.924
   48    H    ASN   8           H        ASN   8 -10.093   1.017  -3.569
   49    HA   ASN   8           HA       ASN   8 -11.408  -1.593  -3.736
   50    HB2  ASN   8           HB2      ASN   8  -9.623  -0.274  -5.789
   51    HB3  ASN   8           HB1      ASN   8 -10.632  -1.686  -6.047
   52   HD21  ASN   8          HD21      ASN   8 -10.501   1.723  -5.763
   53   HD22  ASN   8          HD22      ASN   8 -12.109   2.045  -6.312
   54    H    PHE   9           H        PHE   9  -8.323  -0.209  -3.375
   55    HA   PHE   9           HA       PHE   9  -6.782  -2.575  -3.913
   56    HB2  PHE   9           HB2      PHE   9  -6.069  -0.110  -4.091
   57    HB3  PHE   9           HB1      PHE   9  -5.890  -0.183  -2.337
   58    HD1  PHE   9           HD1      PHE   9  -3.988  -1.132  -1.380
   59    HD2  PHE   9           HD2      PHE   9  -4.846  -1.738  -5.477
   60    HE1  PHE   9           HE1      PHE   9  -1.790  -2.166  -1.680
   61    HE2  PHE   9           HE2      PHE   9  -2.696  -2.765  -5.807
   62    HZ   PHE   9           HZ       PHE   9  -1.111  -2.979  -3.891
   63    H    ASP  10           H        ASP  10  -6.384  -4.157  -2.505
   64    HA   ASP  10           HA       ASP  10  -7.472  -3.909   0.186
   65    HB2  ASP  10           HB2      ASP  10  -7.761  -5.971  -1.306
   66    HB3  ASP  10           HB1      ASP  10  -6.079  -6.333  -0.933
   67    H    CYS  11           H        CYS  11  -6.164  -2.824   1.466
   68    HA   CYS  11           HA       CYS  11  -3.332  -2.932   1.165
   69    HB2  CYS  11           HB2      CYS  11  -5.045  -1.606   3.254
   70    HB3  CYS  11           HB1      CYS  11  -3.310  -1.378   3.067
   71    H    ARG  12           H        ARG  12  -5.707  -4.474   3.160
   72    HA   ARG  12           HA       ARG  12  -4.026  -5.350   5.270
   73    HB2  ARG  12           HB2      ARG  12  -6.486  -6.708   4.134
   74    HB3  ARG  12           HB1      ARG  12  -5.718  -7.122   5.656
   75    HG2  ARG  12           HG2      ARG  12  -7.064  -4.515   4.985
   76    HG3  ARG  12           HG1      ARG  12  -7.690  -5.781   6.034
   77    HD2  ARG  12           HD2      ARG  12  -5.814  -5.456   7.558
   78    HD3  ARG  12           HD1      ARG  12  -5.163  -4.209   6.498
   79    HE   ARG  12           HE       ARG  12  -7.814  -3.616   7.247
   80   HH11  ARG  12          HH11      ARG  12  -4.513  -3.603   8.469
   81   HH12  ARG  12          HH12      ARG  12  -4.743  -2.315   9.557
   82   HH21  ARG  12          HH21      ARG  12  -8.179  -1.876   8.762
   83   HH22  ARG  12          HH22      ARG  12  -6.911  -1.308   9.738
   84    H    ARG  13           H        ARG  13  -5.049  -6.944   2.308
   85    HA   ARG  13           HA       ARG  13  -3.527  -9.295   2.474
   86    HB2  ARG  13           HB2      ARG  13  -5.337  -8.839   0.827
   87    HB3  ARG  13           HB1      ARG  13  -4.277  -7.694   0.029
   88    HG2  ARG  13           HG2      ARG  13  -2.683  -9.616  -0.336
   89    HG3  ARG  13           HG1      ARG  13  -3.990 -10.676   0.200
   90    HD2  ARG  13           HD2      ARG  13  -4.067  -8.750  -2.104
   91    HD3  ARG  13           HD1      ARG  13  -3.971 -10.510  -2.215
   92    HE   ARG  13           HE       ARG  13  -6.209 -10.309  -0.897
   93   HH11  ARG  13          HH11      ARG  13  -5.193  -8.216  -3.567
   94   HH12  ARG  13          HH12      ARG  13  -6.775  -7.954  -4.142
   95   HH21  ARG  13          HH21      ARG  13  -8.377  -9.914  -1.705
   96   HH22  ARG  13          HH22      ARG  13  -8.628  -8.918  -3.070
   97    H    SER  14           H        SER  14  -2.868  -6.257   0.834
   98    HA   SER  14           HA       SER  14  -0.401  -7.037  -0.195
   99    HB2  SER  14           HB2      SER  14  -1.424  -4.245   0.312
  100    HB3  SER  14           HB1      SER  14  -0.153  -4.699  -0.830
  101    HG   SER  14           HG       SER  14  -2.894  -4.984  -0.989
  102    H    LEU  15           H        LEU  15  -1.152  -5.443   2.876
  103    HA   LEU  15           HA       LEU  15   1.551  -4.898   3.511
  104    HB2  LEU  15           HB2      LEU  15  -0.361  -3.801   4.626
  105    HB3  LEU  15           HB1      LEU  15  -0.783  -5.329   5.372
  106    HG   LEU  15           HG       LEU  15   1.437  -5.310   6.506
  107   HD11  LEU  15          HD11      LEU  15   2.619  -3.850   5.022
  108   HD12  LEU  15          HD12      LEU  15   2.642  -3.198   6.661
  109   HD13  LEU  15          HD13      LEU  15   1.564  -2.503   5.447
  110   HD21  LEU  15          HD21      LEU  15  -0.577  -4.644   7.657
  111   HD22  LEU  15          HD22      LEU  15  -0.384  -2.984   7.083
  112   HD23  LEU  15          HD23      LEU  15   0.799  -3.684   8.193
  113    H    ARG  16           H        ARG  16  -0.651  -7.561   4.324
  114    HA   ARG  16           HA       ARG  16   1.250  -8.956   5.916
  115    HB2  ARG  16           HB2      ARG  16  -1.393  -9.780   4.723
  116    HB3  ARG  16           HB1      ARG  16  -0.428 -10.819   5.761
  117    HG2  ARG  16           HG2      ARG  16  -0.674  -9.323   7.612
  118    HG3  ARG  16           HG1      ARG  16  -1.444  -8.110   6.588
  119    HD2  ARG  16           HD2      ARG  16  -3.056  -9.380   7.983
  120    HD3  ARG  16           HD1      ARG  16  -3.363  -9.529   6.257
  121    HE   ARG  16           HE       ARG  16  -1.797 -11.679   6.865
  122   HH11  ARG  16          HH11      ARG  16  -4.879 -10.513   8.211
  123   HH12  ARG  16          HH12      ARG  16  -5.492 -12.090   8.447
  124   HH21  ARG  16          HH21      ARG  16  -2.658 -13.784   7.232
  125   HH22  ARG  16          HH22      ARG  16  -4.243 -13.970   7.875
  126    H    ASN  17           H        ASN  17   0.398  -9.027   2.542
  127    HA   ASN  17           HA       ASN  17   1.678 -11.517   1.949
  128    HB2  ASN  17           HB2      ASN  17   0.691  -9.288   0.191
  129    HB3  ASN  17           HB1      ASN  17   1.663 -10.589  -0.469
  130   HD21  ASN  17          HD21      ASN  17  -0.658 -11.094   2.099
  131   HD22  ASN  17          HD22      ASN  17  -1.781 -11.984   1.142
  132    H    GLY  18           H        GLY  18   2.719  -8.215   2.012
  133    HA2  GLY  18           HA2      GLY  18   5.121  -8.005   2.580
  134    HA3  GLY  18           HA1      GLY  18   5.399  -9.247   1.380
  135    H    ASP  19           H        ASP  19   2.973  -7.146   0.367
  136    HA   ASP  19           HA       ASP  19   4.454  -6.193  -1.855
  137    HB2  ASP  19           HB2      ASP  19   1.839  -5.237  -0.703
  138    HB3  ASP  19           HB1      ASP  19   2.492  -4.711  -2.248
  139    H    CYS  20           H        CYS  20   3.695  -4.883   1.250
  140    HA   CYS  20           HA       CYS  20   4.551  -2.224   0.534
  141    HB2  CYS  20           HB2      CYS  20   2.698  -2.665   2.154
  142    HB3  CYS  20           HB1      CYS  20   3.871  -3.359   3.256
  143    H    ASP  21           H        ASP  21   6.048  -5.074   1.484
  144    HA   ASP  21           HA       ASP  21   8.440  -3.609   2.368
  145    HB2  ASP  21           HB2      ASP  21   7.616  -5.353   3.930
  146    HB3  ASP  21           HB1      ASP  21   7.765  -6.555   2.656
  147    H    ASN  22           H        ASN  22   7.082  -4.712  -0.302
  148    HA   ASN  22           HA       ASN  22   9.390  -5.985  -1.534
  149    HB2  ASN  22           HB2      ASN  22   7.063  -6.791  -1.995
  150    HB3  ASN  22           HB1      ASN  22   6.704  -5.236  -2.717
  151   HD21  ASN  22          HD21      ASN  22   6.608  -7.912  -3.820
  152   HD22  ASN  22          HD22      ASN  22   7.614  -7.908  -5.219
  153    H    ASP  23           H        ASP  23  10.890  -4.815  -2.417
  154    HA   ASP  23           HA       ASP  23  10.981  -2.048  -2.491
  155    HB2  ASP  23           HB2      ASP  23  12.611  -4.081  -3.993
  156    HB3  ASP  23           HB1      ASP  23  12.923  -2.355  -4.103
  157    H    ASP  24           H        ASP  24  10.146  -4.250  -5.095
  158    HA   ASP  24           HA       ASP  24   9.995  -2.292  -7.135
  159    HB2  ASP  24           HB2      ASP  24  10.209  -4.599  -7.763
  160    HB3  ASP  24           HB1      ASP  24   8.734  -5.025  -6.909
  161    H    LYS  25           H        LYS  25   7.699  -3.316  -4.724
  162    HA   LYS  25           HA       LYS  25   5.538  -1.919  -6.084
  163    HB2  LYS  25           HB2      LYS  25   5.589  -3.689  -3.673
  164    HB3  LYS  25           HB1      LYS  25   4.149  -2.981  -4.385
  165    HG2  LYS  25           HG2      LYS  25   4.426  -4.238  -6.387
  166    HG3  LYS  25           HG1      LYS  25   6.015  -4.808  -5.864
  167    HD2  LYS  25           HD2      LYS  25   5.102  -6.031  -4.114
  168    HD3  LYS  25           HD1      LYS  25   3.517  -5.288  -4.326
  169    HE2  LYS  25           HE2      LYS  25   3.336  -6.382  -6.544
  170    HE3  LYS  25           HE1      LYS  25   4.914  -7.123  -6.286
  171    HZ1  LYS  25           HZ1      LYS  25   2.941  -8.570  -5.819
  172    HZ2  LYS  25           HZ2      LYS  25   2.618  -7.582  -4.479
  173    HZ3  LYS  25           HZ3      LYS  25   4.055  -8.454  -4.566
  174    H    LEU  26           H        LEU  26   7.881  -1.186  -3.837
  175    HA   LEU  26           HA       LEU  26   6.642   0.032  -1.702
  176    HB2  LEU  26           HB2      LEU  26   9.164   0.849  -3.095
  177    HB3  LEU  26           HB1      LEU  26   8.617   1.613  -1.614
  178    HG   LEU  26           HG       LEU  26   9.322  -1.284  -1.965
  179   HD11  LEU  26          HD11      LEU  26  11.272   0.202  -2.094
  180   HD12  LEU  26          HD12      LEU  26  11.287  -0.713  -0.584
  181   HD13  LEU  26          HD13      LEU  26  10.786   0.978  -0.588
  182   HD21  LEU  26          HD21      LEU  26   8.605   0.287   0.500
  183   HD22  LEU  26          HD22      LEU  26   9.181  -1.380   0.475
  184   HD23  LEU  26          HD23      LEU  26   7.633  -0.973  -0.260
  185    H    LEU  27           H        LEU  27   7.494   1.782  -4.749
  186    HA   LEU  27           HA       LEU  27   6.575   4.231  -3.988
  187    HB2  LEU  27           HB2      LEU  27   7.984   3.416  -5.932
  188    HB3  LEU  27           HB1      LEU  27   6.484   3.004  -6.719
  189    HG   LEU  27           HG       LEU  27   7.594   4.998  -7.454
  190   HD11  LEU  27          HD11      LEU  27   5.176   4.785  -7.855
  191   HD12  LEU  27          HD12      LEU  27   5.572   6.477  -7.551
  192   HD13  LEU  27          HD13      LEU  27   4.848   5.499  -6.274
  193   HD21  LEU  27          HD21      LEU  27   8.486   5.852  -5.413
  194   HD22  LEU  27          HD22      LEU  27   6.864   6.127  -4.775
  195   HD23  LEU  27          HD23      LEU  27   7.451   7.089  -6.131
  196    H    GLU  28           H        GLU  28   4.957   1.533  -5.561
  197    HA   GLU  28           HA       GLU  28   2.477   2.717  -6.192
  198    HB2  GLU  28           HB2      GLU  28   3.076  -0.165  -5.512
  199    HB3  GLU  28           HB1      GLU  28   1.667   0.423  -6.379
  200    HG2  GLU  28           HG2      GLU  28   4.505   0.643  -7.338
  201    HG3  GLU  28           HG1      GLU  28   3.356  -0.591  -7.845
  202    H    MET  29           H        MET  29   3.740   1.147  -3.361
  203    HA   MET  29           HA       MET  29   1.212   0.789  -2.096
  204    HB2  MET  29           HB2      MET  29   4.042   0.416  -1.188
  205    HB3  MET  29           HB1      MET  29   2.686   0.170  -0.091
  206    HG2  MET  29           HG2      MET  29   3.263  -1.299  -2.657
  207    HG3  MET  29           HG1      MET  29   3.408  -1.946  -1.028
  208    HE1  MET  29           HE1      MET  29   1.244  -2.061   0.635
  209    HE2  MET  29           HE2      MET  29  -0.411  -1.770   0.081
  210    HE3  MET  29          3HE       MET  29   0.751  -0.440   0.142
  211    H    GLY  30           H        GLY  30   3.569   3.206  -2.185
  212    HA2  GLY  30           HA2      GLY  30   2.890   4.518   0.231
  213    HA3  GLY  30           HA1      GLY  30   3.764   5.271  -1.078
  214    H    TYR  31           H        TYR  31   1.593   4.756  -3.012
  215    HA   TYR  31           HA       TYR  31  -0.107   6.817  -1.936
  216    HB2  TYR  31           HB2      TYR  31  -0.928   7.291  -4.217
  217    HB3  TYR  31           HB1      TYR  31   0.789   7.564  -3.917
  218    HD1  TYR  31           HD1      TYR  31  -1.686   5.648  -5.773
  219    HD2  TYR  31           HD2      TYR  31   2.440   6.228  -5.017
  220    HE1  TYR  31           HE1      TYR  31  -1.154   4.441  -7.817
  221    HE2  TYR  31           HE2      TYR  31   3.002   5.019  -7.033
  222    HH   TYR  31           HH       TYR  31   2.054   3.413  -8.607
  223    H    TYR  32           H        TYR  32  -0.321   3.685  -3.169
  224    HA   TYR  32           HA       TYR  32  -3.151   3.606  -3.051
  225    HB2  TYR  32           HB2      TYR  32  -1.151   1.363  -3.219
  226    HB3  TYR  32           HB1      TYR  32  -2.852   1.024  -2.958
  227    HD1  TYR  32           HD1      TYR  32  -4.408   2.532  -4.603
  228    HD2  TYR  32           HD2      TYR  32  -0.461   1.188  -5.431
  229    HE1  TYR  32           HE1      TYR  32  -4.868   2.712  -6.995
  230    HE2  TYR  32           HE2      TYR  32  -0.907   1.367  -7.843
  231    HH   TYR  32           HH       TYR  32  -2.814   1.369  -9.340
  232    H    CYS  33           H        CYS  33  -0.717   2.735  -0.588
  233    HA   CYS  33           HA       CYS  33  -2.956   2.811   1.292
  234    HB2  CYS  33           HB2      CYS  33  -0.758   0.747   1.394
  235    HB3  CYS  33           HB1      CYS  33  -2.127   0.901   2.489
  236    HA   PRO  34           HA       PRO  34   0.721   5.397   2.605
  237    HB2  PRO  34           HB2      PRO  34  -0.637   7.663   3.172
  238    HB3  PRO  34           HB1      PRO  34  -0.045   7.281   1.549
  239    HG2  PRO  34           HG2      PRO  34  -2.772   6.873   2.705
  240    HG3  PRO  34           HG1      PRO  34  -2.339   7.582   1.147
  241    HD2  PRO  34           HD2      PRO  34  -3.144   5.054   1.364
  242    HD3  PRO  34           HD1      PRO  34  -1.885   5.510   0.194
  243    H    VAL  35           H        VAL  35  -2.400   4.706   3.921
  244    HA   VAL  35           HA       VAL  35  -1.587   5.637   6.515
  245    HB   VAL  35           HB       VAL  35  -4.185   4.353   5.661
  246   HG11  VAL  35          HG11      VAL  35  -5.030   5.134   7.854
  247   HG12  VAL  35          HG12      VAL  35  -3.378   5.627   8.271
  248   HG13  VAL  35          3HG1      VAL  35  -3.748   3.928   8.016
  249   HG21  VAL  35          HG21      VAL  35  -5.064   6.630   5.843
  250   HG22  VAL  35          HG22      VAL  35  -3.714   6.527   4.689
  251   HG23  VAL  35          HG23      VAL  35  -3.445   7.197   6.286
  252    H    THR  36           H        THR  36  -2.589   2.597   5.048
  253    HA   THR  36           HA       THR  36  -2.155   0.931   7.252
  254    HB   THR  36           HB       THR  36  -1.890   0.179   4.333
  255    HG1  THR  36           HG1      THR  36  -3.823   1.211   4.564
  256   HG21  THR  36          HG21      THR  36  -2.769  -1.440   6.745
  257   HG22  THR  36          HG22      THR  36  -1.239  -1.609   5.879
  258   HG23  THR  36          HG23      THR  36  -2.748  -2.017   5.075
  259    H    CYS  37           H        CYS  37   0.147   2.237   4.951
  260    HA   CYS  37           HA       CYS  37   2.205   0.490   6.032
  261    HB2  CYS  37           HB2      CYS  37   2.072   2.191   3.604
  262    HB3  CYS  37           HB1      CYS  37   3.615   1.537   4.169
  263    H    GLY  38           H        GLY  38   1.011   3.291   7.042
  264    HA2  GLY  38           HA2      GLY  38   1.820   4.657   8.696
  265    HA3  GLY  38           HA1      GLY  38   3.342   3.797   8.607
  266    H    PHE  39           H        PHE  39   1.867   5.529   5.910
  267    HA   PHE  39           HA       PHE  39   4.166   7.337   5.821
  268    HB2  PHE  39           HB2      PHE  39   1.768   7.065   3.983
  269    HB3  PHE  39           HB1      PHE  39   3.073   8.211   3.740
  270    HD1  PHE  39           HD1      PHE  39   5.136   7.531   2.796
  271    HD2  PHE  39           HD2      PHE  39   2.136   4.684   3.723
  272    HE1  PHE  39           HE1      PHE  39   6.352   5.858   1.479
  273    HE2  PHE  39           HE2      PHE  39   3.369   2.981   2.382
  274    HZ   PHE  39           HZ       PHE  39   5.454   3.576   1.278
  275    HA   CYS  40           HA       CYS  40   0.829  10.087   7.215
  276    HB2  CYS  40           HB2      CYS  40  -1.499   8.718   5.851
  277    HB3  CYS  40           HB1      CYS  40  -1.431  10.390   6.403
  278    HN1  NH2  41           H1       CYS  40   1.008   9.610   9.326
  279    HN2  NH2  41           H2       CYS  40  -0.079   8.623  10.235