*HEADER    TOXIN                                   07-MAY-00   1EYO              
*TITLE     SOLUTION STRUCTURE OF CONOTOXIN TVIIA FROM CONUS TULIPA               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONOTOXIN TVIIA;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.              
*SOURCE   4 THIS SEQUENCE OCCURS NATURALLY IN CONUS TULIPA (TULIP CONE)          
*KEYWDS    CYSTINE KNOT MOTIF                                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.M.HILL, P.F.ALEWOOD, D.J.CRAIK                                      
*REVDAT   1   06-SEP-00 1EYO    0  

! Justine Hill
! Distance restraints
! TVIIA from Conus tulipa

! residue 1  SER  
assign (resid   1 and name  HA    )(resid   2 and name  HN    ) 0 0 2.7 ! 198
assign (resid   1 and name  HB*   )(resid   2 and name  HN    ) 0 0 3.5 ! 199

! residue 2  CYS
assign (resid   2 and name  HN    )(resid   3 and name  HN    ) 0 0 5.0 ! 123
assign (resid   2 and name  HA    )(resid   3 and name  HN    ) 0 0 2.7 ! 125
assign (resid   2 and name  HB*   )(resid   3 and name  HN    ) 0 0 3.7 ! 133
assign (resid   2 and name  HA    )(resid   2 and name  HN    ) 0 0 3.5 ! 196
assign (resid   2 and name  HB*   )(resid   2 and name  HN    ) 0 0 3.7 ! 200
assign (resid   2 and name  HB*   )(resid  15 and name  HN    ) 0 0 4.5 ! 257
assign (resid   2 and name  HA    )(resid  14 and name  HA    ) 0 0 5.0 ! 432
assign (resid   2 and name  HB*   )(resid   2 and name  HA    ) 0 0 3.7 ! 435
assign (resid   2 and name  HA    )(resid  12 and name  HG*   ) 0 0 6.0 ! 444
assign (resid   2 and name  HB*   )(resid  14 and name  HA    ) 0 0 3.7 ! 476
assign (resid   2 and name  HB*   )(resid  14 and name  HB1   ) 0 0 6.0 ! 560
assign (resid   2 and name  HB*   )(resid  14 and name  HB2   ) 0 0 6.0 ! 574

! residue 3  SER
assign (resid   3 and name  HN    )(resid  14 and name  HN    ) 0 0 3.5 ! 87
assign (resid   3 and name  HA    )(resid  14 and name  HN    ) 0 0 5.0 ! 92
assign (resid   3 and name  HB*   )(resid  14 and name  HN    ) 0 0 4.5 ! 95
assign (resid   3 and name  HN    )(resid   4 and name  HN    ) 0 0 5.0 ! 124
assign (resid   3 and name  HA    )(resid   3 and name  HN    ) 0 0 3.5 ! 127
assign (resid   3 and name  HB*   )(resid   3 and name  HN    ) 0 0 3.7 ! 130
assign (resid   3 and name  HB*   )(resid  13 and name  HN    ) 0 0 6.0 ! 184
assign (resid   3 and name  HA    )(resid   4 and name  HN    ) 0 0 2.7 ! 203
assign (resid   3 and name  HB*   )(resid   4 and name  HN    ) 0 0 4.5 ! 205
assign (resid   3 and name  HB*   )(resid   7 and name  HN    ) 0 0 6.0 ! 277
assign (resid   3 and name  HA    )(resid  13 and name  HA    ) 0 0 5.0 ! 433
assign (resid   3 and name  HB*   )(resid  13 and name  HA    ) 0 0 3.7 ! 434
assign (resid   3 and name  HB*   )(resid   3 and name  HA    ) 0 0 4.5 ! 488
assign (resid   3 and name  HN    )(resid  14 and name  HB*   ) 0 0 7.0 ! 131 vw
assign (resid   3 and name  HN    )(resid   9 and name  HB*   ) 0 0 7.0 ! 132 vw
assign (resid   3 and name  HN    )(resid  12 and name  HG*   ) 0 0 6.0 ! 137
assign (resid   3 and name  HN    )(resid  13 and name  HB*   ) 0 0 6.0 ! 135
assign (resid   3 and name  HB*   )(resid   8 and name  HN    ) 0 0 6.0 ! 232

! residue 4  GLY
assign (resid   4 and name  HA1   )(resid  14 and name  HN    ) 0 0 5.0 ! 93
assign (resid   4 and name  HA2   )(resid  14 and name  HN    ) 0 0 5.0 ! 96
assign (resid   4 and name  HN    )(resid   5 and name  HN    ) 0 0 5.0 ! 201
assign (resid   4 and name  HN    )(resid   7 and name  HN    ) 0 0 5.0 ! 202
assign (resid   4 and name  HA1   )(resid   4 and name  HN    ) 0 0 2.7 ! 204
assign (resid   4 and name  HA2   )(resid   4 and name  HN    ) 0 0 2.7 ! 206
assign (resid   4 and name  HA1   )(resid   5 and name  HN    ) 0 0 2.7 ! 210
assign (resid   4 and name  HA2   )(resid   5 and name  HN    ) 0 0 2.7 ! 211
assign (resid   4 and name  HA*   )(resid   7 and name  HN    ) 0 0 6.0 ! 278
assign (resid   4 and name  HA1   )(resid   4 and name  HA2   ) 0 0 2.7 ! 503
assign (resid   4 and name  HA1   )(resid  14 and name  HB1   ) 0 0 5.0 ! 504
assign (resid   4 and name  HA1   )(resid  14 and name  HB2   ) 0 0 5.0 ! 506
assign (resid   4 and name  HA1   )(resid  17 and name  HD*   ) 0 0 5.0 ! 507
assign (resid   4 and name  HA2   )(resid  14 and name  HB*   ) 0 0 6.0 ! 537
assign (resid   4 and name  HA2   )(resid  17 and name  HD*   ) 0 0 5.0 ! 538

! residue 5  ARG
assign (resid   5 and name  HN    )(resid   6 and name  HN    ) 0 0 5.0 ! 1
assign (resid   5 and name  HA    )(resid   6 and name  HN    ) 0 0 2.7 ! 8
assign (resid   5 and name  HB*   )(resid   6 and name  HN    ) 0 0 4.5 ! 12
assign (resid   5 and name  HG*   )(resid   6 and name  HN    ) 0 0 4.5 ! 13
assign (resid   5 and name  HA    )(resid  26 and name  HN    ) 0 0 6.0 ! 164
assign (resid   5 and name  HN    )(resid   7 and name  HN    ) 0 0 5.0 ! 208
assign (resid   5 and name  HA    )(resid   5 and name  HN    ) 0 0 2.7 ! 212
assign (resid   5 and name  HB*   )(resid   5 and name  HN    ) 0 0 3.7 ! 216
assign (resid   5 and name  HG*   )(resid   5 and name  HN    ) 0 0 3.7 ! 217
assign (resid   5 and name  HA    )(resid  24 and name  HN    ) 0 0 5.0 ! 233
assign (resid   5 and name  HA    )(resid   7 and name  HN    ) 0 0 3.5 ! 279
assign (resid   5 and name  HA    )(resid   5 and name  HB1   ) 0 0 3.5 ! 548
assign (resid   5 and name  HA    )(resid   5 and name  HB2   ) 0 0 3.5 ! 549
assign (resid   5 and name  HA    )(resid   5 and name  HG1   ) 0 0 3.5 ! 550
assign (resid   5 and name  HA    )(resid   5 and name  HG2   ) 0 0 3.5 ! 551
assign (resid   5 and name  HA    )(resid  17 and name  HD1*  ) 0 0 5.0 ! 553 m-s
assign (resid   5 and name  HA    )(resid  17 and name  HD2*  ) 0 0 5.0 ! 554 m-s
assign (resid   5 and name  HB*   )(resid   7 and name  HN    ) 0 0 6.0 ! 282
assign (resid   5 and name  HG*   )(resid   7 and name  HN    ) 0 0 6.0 ! 283
assign (resid   5 and name  HD*   )(resid  26 and name  HN    ) 0 0 7.0 ! 165
assign (resid   5 and name  HB*   )(resid  26 and name  HN    ) 0 0 7.0 ! 169
assign (resid   5 and name  HG*   )(resid  26 and name  HN    ) 0 0 4.5 ! 170
assign (resid   5 and name  HD*   )(resid   5 and name  HN    ) 0 0 4.5 ! 213
assign (resid   5 and name  HA    )(resid  24 and name  HB1   ) 0 0 5.0 ! 546
assign (resid   5 and name  HA    )(resid  24 and name  HB2   ) 0 0 5.0 ! 547

! residue 6  ASP
assign (resid   6 and name  HN    )(resid  24 and name  HN    ) 0 0 3.5 ! 2
assign (resid   6 and name  HN    )(resid   7 and name  HN    ) 0 0 2.7 ! 3
assign (resid   6 and name  HN    )(resid  24 and name  HA    ) 0 0 5.0 ! 4
assign (resid   6 and name  HN    )(resid  25 and name  HA    ) 0 0 5.0 ! 5
assign (resid   6 and name  HA    )(resid   6 and name  HN    ) 0 0 2.7 ! 6
assign (resid   6 and name  HB*   )(resid   6 and name  HN    ) 0 0 4.5 ! 10
assign (resid   6 and name  HN    )(resid  24 and name  HB*   ) 0 0 4.5 ! 11
assign (resid   6 and name  HN    )(resid  23 and name  HG*   ) 0 0 6.0 ! 14
assign (resid   6 and name  HN    )(resid  17 and name  HB*   ) 0 0 7.0 ! 15 vw
assign (resid   6 and name  HN    )(resid  25 and name  HG1*  ) 0 0 6.5 ! 16
assign (resid   6 and name  HN    )(resid  25 and name  HG2*  ) 0 0 6.5 ! 17
assign (resid   6 and name  HN    )(resid  17 and name  HD1*  ) 0 0 5.0 ! 18
assign (resid   6 and name  HN    )(resid  17 and name  HD2*  ) 0 0 5.0 ! 19
assign (resid   6 and name  HA    )(resid  24 and name  HN    ) 0 0 3.5 ! 230 w-m
assign (resid   6 and name  HA    )(resid   7 and name  HN    ) 0 0 3.5 ! 275
assign (resid   6 and name  HB*   )(resid   7 and name  HN    ) 0 0 3.7 ! 280
assign (resid   6 and name  HB*   )(resid   6 and name  HA    ) 0 0 3.7 ! 494

! residue 7  SER
assign (resid   7 and name  HN    )(resid   8 and name  HN    ) 0 0 5.0 ! 223 m
assign (resid   7 and name  HN    )(resid  24 and name  HN    ) 0 0 5.0 ! 223a 298K
assign (resid   7 and name  HA    )(resid   8 and name  HN    ) 0 0 2.7 ! 229
assign (resid   7 and name  HB*   )(resid   8 and name  HN    ) 0 0 3.7 ! 231
assign (resid   7 and name  HA    )(resid   7 and name  HN    ) 0 0 3.5 ! 274
assign (resid   7 and name  HB*   )(resid   7 and name  HN    ) 0 0 3.7 ! 276
assign (resid   7 and name  HB*   )(resid   7 and name  HA    ) 0 0 4.5 ! 457
assign (resid   7 and name  HB*   )(resid   3 and name  HA    ) 0 0 6.0 ! 487
assign (resid   7 and name  HB1   )(resid   3 and name  HN    ) 0 0 5.0 ! 128
assign (resid   7 and name  HB2   )(resid   3 and name  HN    ) 0 0 5.0 ! 129
assign (resid   7 and name  HA    )(resid   9 and name  HN    ) 0 0 6.0 ! 370

! residue 8  ARG
assign (resid   8 and name  HN    )(resid   9 and name  HN    ) 0 0 5.0 ! 225 m
assign (resid   8 and name  HA    )(resid   8 and name  HN    ) 0 0 2.7 ! 228
assign (resid   8 and name  HD*   )(resid   8 and name  HN    ) 0 0 6.0 ! 235
assign (resid   8 and name  HB*   )(resid   8 and name  HN    ) 0 0 3.7 ! 239
assign (resid   8 and name  HG*   )(resid   8 and name  HN    ) 0 0 3.7 ! 240
assign (resid   8 and name  HA    )(resid   9 and name  HN    ) 0 0 2.7 ! 369
assign (resid   8 and name  HD*   )(resid   9 and name  HN    ) 0 0 4.5 ! 375
assign (resid   8 and name  HB*   )(resid   9 and name  HN    ) 0 0 3.7 ! 377
assign (resid   8 and name  HG*   )(resid   9 and name  HN    ) 0 0 6.0 ! 378
assign (resid   8 and name  HA    )(resid  23 and name  HA    ) 0 0 3.5 ! 283K overlap
assign (resid   8 and name  HA    )(resid  24 and name  HN    ) 0 0 5.0 ! 298K

! residue 9  CYS
assign (resid   9 and name  HB1   )(resid  19 and name  HN    ) 0 0 6.0 ! 143
assign (resid   9 and name  HB2   )(resid  19 and name  HN    ) 0 0 6.0 ! 146
assign (resid   9 and name  HB1   )(resid  13 and name  HN    ) 0 0 3.5 ! 185 w-m
assign (resid   9 and name  HB2   )(resid  13 and name  HN    ) 0 0 3.5 ! 188 w-m
assign (resid   9 and name  HN    )(resid  24 and name  HN    ) 0 0 6.0 ! 225a 298K
assign (resid   9 and name  HB1   )(resid  12 and name  HN    ) 0 0 6.0 ! 294 vw
assign (resid   9 and name  HB2   )(resid  12 and name  HN    ) 0 0 6.0 ! 295 vw
assign (resid   9 and name  HA    )(resid   9 and name  HN    ) 0 0 2.7 ! 368
assign (resid   9 and name  HB1   )(resid   9 and name  HN    ) 0 0 3.5 ! 374
assign (resid   9 and name  HB2   )(resid   9 and name  HN    ) 0 0 3.5 ! 376
assign (resid   9 and name  HA    )(resid  10 and name  HA    ) 0 0 2.7 ! 413
assign (resid   9 and name  HA    )(resid  11 and name  HD11  ) 0 0 6.0 ! 416
assign (resid   9 and name  HA    )(resid  11 and name  HD12  ) 0 0 6.0 ! 417
assign (resid   9 and name  HB1   )(resid   9 and name  HA    ) 0 0 2.7 ! 418
assign (resid   9 and name  HB2   )(resid   9 and name  HA    ) 0 0 2.7 ! 421
assign (resid   9 and name  HB1   )(resid  10 and name  HA    ) 0 0 3.5 ! 467
assign (resid   9 and name  HB2   )(resid  10 and name  HA    ) 0 0 3.5 ! 468
assign (resid   9 and name  HB1   )(resid  12 and name  HA    ) 0 0 6.0 ! 508
assign (resid   9 and name  HB2   )(resid  12 and name  HA    ) 0 0 6.0 ! 510
assign (resid   9 and name  HB1   )(resid   3 and name  HB*   ) 0 0 6.0 ! 531
assign (resid   9 and name  HB2   )(resid   3 and name  HB*   ) 0 0 6.0 ! 533
assign (resid   9 and name  HB1   )(resid  19 and name  HB1   ) 0 0 6.0 ! 564
assign (resid   9 and name  HB1   )(resid  19 and name  HB2   ) 0 0 6.0 ! 565
assign (resid   9 and name  HB1   )(resid   9 and name  HB2   ) 0 0 2.7 ! 566
assign (resid   9 and name  HB2   )(resid  19 and name  HB1   ) 0 0 6.0 ! 576
assign (resid   9 and name  HB2   )(resid  19 and name  HB2   ) 0 0 6.0 ! 584
assign (resid   9 and name  HA    )(resid  12 and name  HN    ) 0 0 6.0 ! 287 vw
assign (resid   9 and name  HA    )(resid  11 and name  HA    ) 0 0 5.0 ! 412
assign (resid   9 and name  HA    )(resid  12 and name  HA    ) 0 0 6.0 ! 414
assign (resid   9 and name  HB*   )(resid  11 and name  HB*   ) 0 0 8.0 ! 567 vw
assign (resid   9 and name  HB1   )(resid  19 and name  HA    ) 0 0 6.0 ! 283K
assign (resid   9 and name  HB2   )(resid  19 and name  HA    ) 0 0 6.0 ! 283K

! residue 10  HYP
assign (resid  10 and name  HB1   )(resid  11 and name  HA    ) 0 0 3.5 ! 463
assign (resid  10 and name  HB2   )(resid  11 and name  HA    ) 0 0 3.5 ! 465
assign (resid  10 and name  HA    )(resid  12 and name  HA    ) 0 0 5.0 ! 466
assign (resid  10 and name  HA    )(resid  10 and name  HB1   ) 0 0 3.5 ! 469
assign (resid  10 and name  HA    )(resid  10 and name  HB2   ) 0 0 3.5 ! 470
assign (resid  10 and name  HG    )(resid  10 and name  HD11  ) 0 0 2.7 ! 471
assign (resid  10 and name  HG    )(resid  10 and name  HD12  ) 0 0 2.7 ! 472
assign (resid  10 and name  HG    )(resid  10 and name  HB1   ) 0 0 3.5 ! 473
assign (resid  10 and name  HG    )(resid  10 and name  HB2   ) 0 0 3.5 ! 474
assign (resid  10 and name  HD11  )(resid  10 and name  HD12  ) 0 0 2.7 ! 539
assign (resid  10 and name  HD11  )(resid  10 and name  HB1   ) 0 0 5.0 ! 540
assign (resid  10 and name  HD11  )(resid  10 and name  HB2   ) 0 0 5.0 ! 541
assign (resid  10 and name  HD12  )(resid  10 and name  HB1   ) 0 0 5.0 ! 555
assign (resid  10 and name  HD12  )(resid  10 and name  HB2   ) 0 0 5.0 ! 557
assign (resid  10 and name  HA    )(resid  13 and name  HN    ) 0 0 6.0 ! 182
assign (resid  10 and name  HA    )(resid  12 and name  HN    ) 0 0 3.5 ! 289
assign (resid  10 and name  HB1   )(resid  12 and name  HN    ) 0 0 3.5 ! 297
assign (resid  10 and name  HB2   )(resid  12 and name  HN    ) 0 0 3.5 ! 300
assign (resid  10 and name  HA    )(resid   9 and name  HN    ) 0 0 5.0 ! 371
assign (resid  10 and name  HD1*  )(resid  18 and name  HG*   ) 0 0 8.0 ! 556 vw

! residue 11  HYP
assign (resid  11 and name  HA    )(resid  12 and name  HN    ) 0 0 2.7 ! 288
assign (resid  11 and name  HD11  )(resid  12 and name  HN    ) 0 0 5.0 ! 292
assign (resid  11 and name  HD12  )(resid  12 and name  HN    ) 0 0 5.0 ! 293
assign (resid  11 and name  HB1   )(resid  12 and name  HN    ) 0 0 5.0 ! 296
assign (resid  11 and name  HB2   )(resid  12 and name  HN    ) 0 0 5.0 ! 298
assign (resid  11 and name  HA    )(resid  11 and name  HD11  ) 0 0 5.0 ! 458
assign (resid  11 and name  HA    )(resid  11 and name  HD12  ) 0 0 5.0 ! 459
assign (resid  11 and name  HA    )(resid  11 and name  HB1   ) 0 0 3.5 ! 462
assign (resid  11 and name  HA    )(resid  11 and name  HB2   ) 0 0 3.5 ! 464
assign (resid  11 and name  HG    )(resid  11 and name  HD11  ) 0 0 2.7 ! 479
assign (resid  11 and name  HG    )(resid  11 and name  HD12  ) 0 0 2.7 ! 480
assign (resid  11 and name  HG    )(resid  11 and name  HB1   ) 0 0 2.7 ! 481
assign (resid  11 and name  HG    )(resid  11 and name  HB2   ) 0 0 2.7 ! 482
assign (resid  11 and name  HD11  )(resid  11 and name  HD12  ) 0 0 2.7 ! 534
assign (resid  11 and name  HD11  )(resid  11 and name  HB1   ) 0 0 5.0 ! 535
assign (resid  11 and name  HD11  )(resid  11 and name  HB2   ) 0 0 5.0 ! 536
assign (resid  11 and name  HD12  )(resid  11 and name  HB1   ) 0 0 5.0 ! 558
assign (resid  11 and name  HD12  )(resid  11 and name  HB2   ) 0 0 5.0 ! 559
assign (resid  11 and name  HB1   )(resid  11 and name  HB2   ) 0 0 3.5 ! 590

! residue 12  VAL
assign (resid  12 and name  HN    )(resid  13 and name  HN    ) 0 0 3.5 ! 177
assign (resid  12 and name  HA    )(resid  13 and name  HN    ) 0 0 3.5 ! 183 overlap
assign (resid  12 and name  HA    )(resid  12 and name  HN    ) 0 0 2.7 ! 291
assign (resid  12 and name  HB    )(resid  12 and name  HN    ) 0 0 2.7 ! 299
assign (resid  12 and name  HG*   )(resid  12 and name  HN    ) 0 0 5.2 ! 301
assign (resid  12 and name  HA    )(resid  12 and name  HB    ) 0 0 3.5 ! 512
assign (resid  12 and name  HA    )(resid  12 and name  HG1*  ) 0 0 5.0 ! 514
assign (resid  12 and name  HA    )(resid  12 and name  HG2*  ) 0 0 5.0 ! 515
assign (resid  12 and name  HB    )(resid  13 and name  HN    ) 0 0 2.7 ! 191
assign (resid  12 and name  HG*   )(resid  13 and name  HN    ) 0 0 5.2 ! 193
assign (resid  12 and name  HG*   )(resid  14 and name  HN    ) 0 0 7.5 ! 106
assign (resid  12 and name  HA    )(resid  13 and name  HB*   ) 0 0 7.0 ! 509 vw
assign (resid  12 and name  HB    )(resid  14 and name  HN    ) 0 0 6.0 ! 103

! residue 13  CYS
assign (resid  13 and name  HN    )(resid  14 and name  HN    ) 0 0 5.0 ! 88
assign (resid  13 and name  HA    )(resid  14 and name  HN    ) 0 0 2.7 ! 90
assign (resid  13 and name  HB*   )(resid  14 and name  HN    ) 0 0 4.5 ! 101
assign (resid  13 and name  HN    )(resid  19 and name  HN    ) 0 0 7.0 ! 139 vw
assign (resid  13 and name  HA    )(resid  13 and name  HN    ) 0 0 3.5 ! 179
assign (resid  13 and name  HB1   )(resid  13 and name  HN    ) 0 0 3.5 ! 186
assign (resid  13 and name  HB2   )(resid  13 and name  HN    ) 0 0 3.5 ! 189
assign (resid  13 and name  HB1   )(resid  17 and name  HN    ) 0 0 5.0 ! 331
assign (resid  13 and name  HB2   )(resid  17 and name  HN    ) 0 0 5.0 ! 334
assign (resid  13 and name  HB*   )(resid  17 and name  HA    ) 0 0 7.0 ! 404 vw
assign (resid  13 and name  HB1   )(resid  13 and name  HA    ) 0 0 3.5 ! 436
assign (resid  13 and name  HB2   )(resid  13 and name  HA    ) 0 0 3.5 ! 439
assign (resid  13 and name  HB1   )(resid  18 and name  HA    ) 0 0 5.0 ! 451
assign (resid  13 and name  HB2   )(resid  18 and name  HA    ) 0 0 5.0 ! 452
assign (resid  13 and name  HB*   )(resid   3 and name  HB*   ) 0 0 8.0 ! 532 vw
assign (resid  13 and name  HB*   )(resid  24 and name  HB*   ) 0 0 7.0 ! 577
assign (resid  13 and name  HB1   )(resid  13 and name  HB2   ) 0 0 3.5 ! 578
assign (resid  13 and name  HB1   )(resid  17 and name  HB1   ) 0 0 3.5 ! 579
assign (resid  13 and name  HB1   )(resid  17 and name  HB2   ) 0 0 3.5 ! 581
assign (resid  13 and name  HB1   )(resid  17 and name  HG    ) 0 0 6.0 ! 580
assign (resid  13 and name  HB1   )(resid  17 and name  HD1*  ) 0 0 6.5 ! 582
assign (resid  13 and name  HB1   )(resid  17 and name  HD2*  ) 0 0 6.5 ! 583
assign (resid  13 and name  HB2   )(resid  17 and name  HB1   ) 0 0 3.5 ! 593
assign (resid  13 and name  HB2   )(resid  17 and name  HB2   ) 0 0 3.5 ! 594
assign (resid  13 and name  HB2   )(resid  17 and name  HG    ) 0 0 6.0 ! 
assign (resid  13 and name  HB2   )(resid  17 and name  HD*   ) 0 0 7.5 ! 595
assign (resid  13 and name  HB1   )(resid  18 and name  HN    ) 0 0 5.0 ! 57
assign (resid  13 and name  HB2   )(resid  18 and name  HN    ) 0 0 5.0 ! 59
assign (resid  13 and name  HB*   )(resid  24 and name  HA    ) 0 0 7.0 ! 420

! residue 14  CYS
assign (resid  14 and name  HN    )(resid  15 and name  HN    ) 0 0 5.0 ! 89
assign (resid  14 and name  HA    )(resid  14 and name  HN    ) 0 0 2.7 ! 91 m-s
assign (resid  14 and name  HB1   )(resid  14 and name  HN    ) 0 0 3.5 ! 98
assign (resid  14 and name  HB2   )(resid  14 and name  HN    ) 0 0 2.7 ! 100
assign (resid  14 and name  HA    )(resid   3 and name  HN    ) 0 0 5.0 ! 126
assign (resid  14 and name  HA    )(resid   2 and name  HN    ) 0 0 6.0 ! 197
assign (resid  14 and name  HA    )(resid  15 and name  HN    ) 0 0 2.7 ! 251
assign (resid  14 and name  HB1   )(resid  15 and name  HN    ) 0 0 3.5 ! 256 s
assign (resid  14 and name  HB2   )(resid  15 and name  HN    ) 0 0 3.5 ! 259 s
assign (resid  14 and name  HB1   )(resid  14 and name  HA    ) 0 0 3.5 ! 475
assign (resid  14 and name  HB2   )(resid  14 and name  HA    ) 0 0 3.5 ! 477
assign (resid  14 and name  HB1   )(resid  14 and name  HB2   ) 0 0 2.7 ! 561
assign (resid  14 and name  HB1   )(resid  17 and name  HD*   ) 0 0 6.0 ! 563
assign (resid  14 and name  HB2   )(resid  17 and name  HD*   ) 0 0 6.0 ! 592
assign (resid  14 and name  HB1   )(resid  17 and name  HG    ) 0 0 5.0 ! 562
assign (resid  14 and name  HB2   )(resid  17 and name  HG    ) 0 0 5.0 ! 591

! residue 15  MET
assign (resid  15 and name  HN    )(resid  16 and name  HN    ) 0 0 5.0 ! 109
assign (resid  15 and name  HA    )(resid  16 and name  HN    ) 0 0 2.7 ! 112
assign (resid  15 and name  HG*   )(resid  16 and name  HN    ) 0 0 4.5 ! 114
assign (resid  15 and name  HB1   )(resid  16 and name  HN    ) 0 0 5.0 ! 116
assign (resid  15 and name  HB2   )(resid  16 and name  HN    ) 0 0 5.0 ! 117
assign (resid  15 and name  HN    )(resid  17 and name  HN    ) 0 0 5.0 ! 248
assign (resid  15 and name  HA    )(resid  15 and name  HN    ) 0 0 2.7 ! 252
assign (resid  15 and name  HG*   )(resid  15 and name  HN    ) 0 0 4.5 ! 258
assign (resid  15 and name  HB1   )(resid  15 and name  HN    ) 0 0 3.5 ! 260
assign (resid  15 and name  HB2   )(resid  15 and name  HN    ) 0 0 3.5 ! 261
assign (resid  15 and name  HA    )(resid  17 and name  HN    ) 0 0 3.5 ! 329 s!!
assign (resid  15 and name  HG*   )(resid  17 and name  HN    ) 0 0 6.0 ! 332
assign (resid  15 and name  HB1   )(resid  17 and name  HN    ) 0 0 6.0 ! 336
assign (resid  15 and name  HB2   )(resid  17 and name  HN    ) 0 0 6.0 ! 337
assign (resid  15 and name  HG*   )(resid  15 and name  HA    ) 0 0 6.0 ! 495
assign (resid  15 and name  HB1   )(resid  15 and name  HA    ) 0 0 3.5 ! 496
assign (resid  15 and name  HB2   )(resid  15 and name  HA    ) 0 0 3.5 ! 497

! residue 16  GLY
assign (resid  16 and name  HN    )(resid  17 and name  HN    ) 0 0 2.7 ! 110
assign (resid  16 and name  HA1   )(resid  16 and name  HN    ) 0 0 3.5 ! 111
assign (resid  16 and name  HA2   )(resid  16 and name  HN    ) 0 0 3.5 ! 113
assign (resid  16 and name  HA1   )(resid  17 and name  HN    ) 0 0 3.5 ! 328
assign (resid  16 and name  HA2   )(resid  17 and name  HN    ) 0 0 3.5 ! 330
assign (resid  16 and name  HA1   )(resid  27 and name  HN    ) 0 0 6.0 ! 348
assign (resid  16 and name  HA2   )(resid  27 and name  HN    ) 0 0 6.0 ! 353
assign (resid  16 and name  HA1   )(resid  28 and name  HE*   ) 0 0 7.0 ! 393
assign (resid  16 and name  HA2   )(resid  28 and name  HE*   ) 0 0 7.0 ! 394
assign (resid  16 and name  HA1   )(resid  16 and name  HA2   ) 0 0 2.7 ! 489
assign (resid  16 and name  HA1   )(resid  27 and name  HG12  ) 0 0 6.0 ! 491
assign (resid  16 and name  HA1   )(resid  27 and name  HG2*  ) 0 0 6.5 ! 492
assign (resid  16 and name  HA1   )(resid  27 and name  HD1*  ) 0 0 7.5 ! 493
assign (resid  16 and name  HA*   )(resid  27 and name  HG11  ) 0 0 7.0 ! 542
assign (resid  16 and name  HA2   )(resid  27 and name  HG12  ) 0 0 6.0 ! 543
assign (resid  16 and name  HA2   )(resid  27 and name  HG2*  ) 0 0 6.5 ! 544
assign (resid  16 and name  HA2   )(resid  27 and name  HD1*  ) 0 0 7.5 ! 545

! residue 17  LEU
assign (resid  17 and name  HA    )(resid  25 and name  HN    ) 0 0 3.5 ! 24 w-m
assign (resid  17 and name  HG    )(resid  25 and name  HN    ) 0 0 5.0 ! 41
assign (resid  17 and name  HB1   )(resid  25 and name  HN    ) 0 0 5.0 ! 38
assign (resid  17 and name  HB2   )(resid  25 and name  HN    ) 0 0 5.0 ! 42
assign (resid  17 and name  HD1*  )(resid  25 and name  HN    ) 0 0 6.5 ! 45 w
assign (resid  17 and name  HD2*  )(resid  25 and name  HN    ) 0 0 6.5 ! 46 w
assign (resid  17 and name  HN    )(resid  18 and name  HN    ) 0 0 5.0 ! 48
assign (resid  17 and name  HA    )(resid  18 and name  HN    ) 0 0 2.7 ! 50
assign (resid  17 and name  HG    )(resid  18 and name  HN    ) 0 0 5.0 ! 64
assign (resid  17 and name  HB*   )(resid  18 and name  HN    ) 0 0 3.7 ! 65
assign (resid  17 and name  HD1*  )(resid  18 and name  HN    ) 0 0 6.0 ! 68
assign (resid  17 and name  HD2*  )(resid  18 and name  HN    ) 0 0 6.0 ! 69
assign (resid  17 and name  HB1   )(resid  14 and name  HN    ) 0 0 3.5 ! 102
assign (resid  17 and name  HB2   )(resid  14 and name  HN    ) 0 0 3.5 ! 105
assign (resid  17 and name  HG    )(resid  14 and name  HN    ) 0 0 5.0 ! 104
assign (resid  17 and name  HD1*  )(resid  14 and name  HN    ) 0 0 6.5 ! 107
assign (resid  17 and name  HD2*  )(resid  14 and name  HN    ) 0 0 6.5 ! 108
assign (resid  17 and name  HB1   )(resid  16 and name  HN    ) 0 0 6.0 ! 115
assign (resid  17 and name  HB2   )(resid  16 and name  HN    ) 0 0 6.0 ! 119
assign (resid  17 and name  HG    )(resid  16 and name  HN    ) 0 0 5.0 ! 118
assign (resid  17 and name  HA    )(resid  26 and name  HN    ) 0 0 5.0 ! 158
assign (resid  17 and name  HG    )(resid  26 and name  HN    ) 0 0 5.0 ! 171
assign (resid  17 and name  HB*   )(resid  26 and name  HN    ) 0 0 6.0 ! 172
assign (resid  17 and name  HD*   )(resid  26 and name  HN    ) 0 0 5.2 ! 176
assign (resid  17 and name  HB1   )(resid  13 and name  HN    ) 0 0 6.0 ! 190
assign (resid  17 and name  HB2   )(resid  13 and name  HN    ) 0 0 6.0 ! 192
assign (resid  17 and name  HD*   )(resid  13 and name  HN    ) 0 0 8.5 ! 194 vw
assign (resid  17 and name  HD*   )(resid   4 and name  HN    ) 0 0 6.0 ! 207
assign (resid  17 and name  HG    )(resid   5 and name  HN    ) 0 0 5.0 ! 218
assign (resid  17 and name  HB*   )(resid   5 and name  HN    ) 0 0 6.0 ! 219
assign (resid  17 and name  HD1*  )(resid   5 and name  HN    ) 0 0 4.2 ! 220
assign (resid  17 and name  HD2*  )(resid   5 and name  HN    ) 0 0 4.2 ! 221
assign (resid  17 and name  HD*   )(resid  15 and name  HN    ) 0 0 7.5 ! 264
assign (resid  17 and name  HD1*  )(resid   7 and name  HN    ) 0 0 6.5 ! 285
assign (resid  17 and name  HD2*  )(resid   7 and name  HN    ) 0 0 6.5 ! 286
assign (resid  17 and name  HA    )(resid  28 and name  HN    ) 0 0 6.0 ! 303
assign (resid  17 and name  HA    )(resid  17 and name  HN    ) 0 0 3.5 ! 326
assign (resid  17 and name  HB1   )(resid  17 and name  HN    ) 0 0 3.5 ! 340
assign (resid  17 and name  HB2   )(resid  17 and name  HN    ) 0 0 3.5 ! 335
assign (resid  17 and name  HG    )(resid  17 and name  HN    ) 0 0 3.5 ! 339
assign (resid  17 and name  HD1*  )(resid  17 and name  HN    ) 0 0 5.0 ! 342
assign (resid  17 and name  HD2*  )(resid  17 and name  HN    ) 0 0 5.0 ! 343
assign (resid  17 and name  HA    )(resid  27 and name  HN    ) 0 0 3.5 ! 344
assign (resid  17 and name  HA    )(resid  26 and name  HA    ) 0 0 2.7 ! 402 m-s
assign (resid  17 and name  HB1   )(resid  17 and name  HA    ) 0 0 3.5 ! 406
assign (resid  17 and name  HB2   )(resid  17 and name  HA    ) 0 0 3.5 ! 408
assign (resid  17 and name  HG    )(resid  17 and name  HA    ) 0 0 5.0 ! 407
assign (resid  17 and name  HD1*  )(resid  17 and name  HA    ) 0 0 6.5 ! 410
assign (resid  17 and name  HD2*  )(resid  17 and name  HA    ) 0 0 6.5 ! 411
assign (resid  17 and name  HB1   )(resid  13 and name  HA    ) 0 0 5.0 ! 441
assign (resid  17 and name  HB2   )(resid  13 and name  HA    ) 0 0 5.0 ! 442
assign (resid  17 and name  HD*   )(resid  13 and name  HA    ) 0 0 7.5 ! 443
assign (resid  17 and name  HG    )(resid  26 and name  HA    ) 0 0 5.0 ! 483
assign (resid  17 and name  HB*   )(resid  26 and name  HA    ) 0 0 6.0 ! 484
assign (resid  17 and name  HD1*  )(resid  26 and name  HA    ) 0 0 6.5 ! 485
assign (resid  17 and name  HD2*  )(resid  26 and name  HA    ) 0 0 6.5 ! 486
assign (resid  17 and name  HB*   )(resid  24 and name  HN    ) 0 0 6.0 ! 243
assign (resid  17 and name  HD1*  )(resid  24 and name  HN    ) 0 0 6.5 ! 246
assign (resid  17 and name  HD2*  )(resid  24 and name  HN    ) 0 0 6.5 ! 247
assign (resid  17 and name  HD*   )(resid  16 and name  HN    ) 0 0 7.5 ! 120
assign (resid  17 and name  HD*   )(resid   3 and name  HN    ) 0 0 7.5 ! 138
assign (resid  17 and name  HB*   )(resid  27 and name  HN    ) 0 0 6.0 ! 362
assign (resid  17 and name  HB*   )(resid  24 and name  HA    ) 0 0 6.0 ! 427
assign (resid  17 and name  HD1*  )(resid  24 and name  HA    ) 0 0 7.5 ! 430
assign (resid  17 and name  HD2*  )(resid  24 and name  HA    ) 0 0 7.5 ! 431

! residue 18  MET
assign (resid  18 and name  HN    )(resid  19 and name  HN    ) 0 0 5.0 ! 47
assign (resid  18 and name  HN    )(resid  27 and name  HN    ) 0 0 5.0 ! 49
assign (resid  18 and name  HA    )(resid  18 and name  HN    ) 0 0 3.5 ! 53
assign (resid  18 and name  HG1   )(resid  18 and name  HN    ) 0 0 3.5 ! 60
assign (resid  18 and name  HG2   )(resid  18 and name  HN    ) 0 0 3.5 ! 61
assign (resid  18 and name  HB1   )(resid  18 and name  HN    ) 0 0 5.0 ! 62
assign (resid  18 and name  HB2   )(resid  18 and name  HN    ) 0 0 5.0 ! 63
assign (resid  18 and name  HG*   )(resid  20 and name  HN    ) 0 0 6.0 ! 81
assign (resid  18 and name  HA    )(resid  19 and name  HN    ) 0 0 3.5 ! 142 overlap
assign (resid  18 and name  HG1   )(resid  19 and name  HN    ) 0 0 3.5 ! 148
assign (resid  18 and name  HG2   )(resid  19 and name  HN    ) 0 0 3.5 ! 149
assign (resid  18 and name  HB1   )(resid  19 and name  HN    ) 0 0 3.5 ! 150
assign (resid  18 and name  HB2   )(resid  19 and name  HN    ) 0 0 3.5 ! 151
assign (resid  18 and name  HA    )(resid  13 and name  HN    ) 0 0 5.0 ! 180
assign (resid  18 and name  HG1   )(resid  18 and name  HA    ) 0 0 5.0 ! 453
assign (resid  18 and name  HG2   )(resid  18 and name  HA    ) 0 0 5.0 ! 454
assign (resid  18 and name  HB1   )(resid  18 and name  HA    ) 0 0 2.7 ! 455 m-s
assign (resid  18 and name  HB2   )(resid  18 and name  HA    ) 0 0 2.7 ! 456 m-s
assign (resid  18 and name  HG1   )(resid  27 and name  HN    ) 0 0 5.0 ! 355
assign (resid  18 and name  HG2   )(resid  27 and name  HN    ) 0 0 5.0 ! 356
assign (resid  18 and name  HN    )(resid  25 and name  HN    ) 0 0 3.5 ! diagonal

! residue 19  CYS
assign (resid  19 and name  HN    )(resid  20 and name  HN    ) 0 0 5.0 ! 70
assign (resid  19 and name  HB1   )(resid  20 and name  HN    ) 0 0 5.0 ! 78
assign (resid  19 and name  HB2   )(resid  20 and name  HN    ) 0 0 5.0 ! 79
assign (resid  19 and name  HA    )(resid  19 and name  HN    ) 0 0 3.5 ! 141 overlap
assign (resid  19 and name  HB1   )(resid  19 and name  HN    ) 0 0 3.5 ! 144
assign (resid  19 and name  HB2   )(resid  19 and name  HN    ) 0 0 3.5 ! 145
assign (resid  19 and name  HB*   )(resid  13 and name  HN    ) 0 0 6.0 ! 187
assign (resid  19 and name  HB1   )(resid  19 and name  HB2   ) 0 0 3.5 ! 575
assign (resid  19 and name  HB1   )(resid  21 and name  HN    ) 0 0 5.0 ! 34 w-vw
assign (resid  19 and name  HB2   )(resid  21 and name  HN    ) 0 0 5.0 ! 35 w-vw
assign (resid  19 and name  HA    )(resid  22 and name  HN    ) 0 0 3.5 ! 250
assign (resid  19 and name  HA    )(resid  24 and name  HA    ) 0 0 3.5 ! 283K overlap
assign (resid  19 and name  HA    )(resid  23 and name  HN    ) 0 0 3.5 ! 346

! residue 20  SER
assign (resid  20 and name  HN    )(resid  21 and name  HN    ) 0 0 3.5 ! 20
assign (resid  20 and name  HN    )(resid  25 and name  HN    ) 0 0 5.0 ! 20a 298K
assign (resid  20 and name  HA    )(resid  21 and name  HN    ) 0 0 2.7 ! 27
assign (resid  20 and name  HB1   )(resid  21 and name  HN    ) 0 0 5.0 ! 31
assign (resid  20 and name  HB2   )(resid  21 and name  HN    ) 0 0 5.0 ! 30
assign (resid  20 and name  HN    )(resid  22 and name  HN    ) 0 0 5.0 ! 71
assign (resid  20 and name  HN    )(resid  23 and name  HN    ) 0 0 2.7 ! 72
assign (resid  20 and name  HA    )(resid  20 and name  HN    ) 0 0 2.7 ! 74
assign (resid  20 and name  HB1   )(resid  20 and name  HN    ) 0 0 3.5 ! 76
assign (resid  20 and name  HB2   )(resid  20 and name  HN    ) 0 0 2.7 ! 77
assign (resid  20 and name  HB*   )(resid  23 and name  HN    ) 0 0 6.0 ! 354
assign (resid  20 and name  HB1   )(resid  20 and name  HB2   ) 0 0 3.5 ! 526
assign (resid  20 and name  HB*   )(resid  25 and name  HB    ) 0 0 6.0 ! 527
assign (resid  20 and name  HB1   )(resid  25 and name  HG1*  ) 0 0 5.0 ! 528
assign (resid  20 and name  HB1   )(resid  25 and name  HG2*  ) 0 0 5.0 ! 529
assign (resid  20 and name  HB2   )(resid  25 and name  HG1*  ) 0 0 6.5 ! 552
assign (resid  20 and name  HB2   )(resid  25 and name  HG2*  ) 0 0 6.5 ! 552a

! residue 21  ARG
assign (resid  21 and name  HN    )(resid  22 and name  HN    ) 0 0 2.7 ! 23
assign (resid  21 and name  HA    )(resid  21 and name  HN    ) 0 0 2.7 ! 29
assign (resid  21 and name  HD*   )(resid  21 and name  HN    ) 0 0 6.0 ! 32
assign (resid  21 and name  HB*   )(resid  21 and name  HN    ) 0 0 4.5 ! 39
assign (resid  21 and name  HG*   )(resid  21 and name  HN    ) 0 0 4.5 ! 40
assign (resid  21 and name  HN    )(resid  23 and name  HN    ) 0 0 5.0 ! 49a 298K
assign (resid  21 and name  HA    )(resid  22 and name  HN    ) 0 0 3.5 ! 255 overlap
assign (resid  21 and name  HB*   )(resid  22 and name  HN    ) 0 0 4.5 ! 262
assign (resid  21 and name  HG*   )(resid  22 and name  HN    ) 0 0 4.5 ! 263
assign (resid  21 and name  HA    )(resid  21 and name  HD*   ) 0 0 6.0 ! 521
assign (resid  21 and name  HA    )(resid  21 and name  HB1   ) 0 0 5.0 ! 522
assign (resid  21 and name  HA    )(resid  21 and name  HB2   ) 0 0 5.0 ! 523
assign (resid  21 and name  HA    )(resid  21 and name  HG1   ) 0 0 5.0 ! 524
assign (resid  21 and name  HA    )(resid  21 and name  HG2   ) 0 0 5.0 ! 525

! residue 22  GLY
assign (resid  22 and name  HN    )(resid  23 and name  HN    ) 0 0 2.7 ! 249
assign (resid  22 and name  HA1   )(resid  22 and name  HN    ) 0 0 3.5 ! 253
assign (resid  22 and name  HA2   )(resid  22 and name  HN    ) 0 0 3.5 ! 254
assign (resid  22 and name  HA1   )(resid  23 and name  HN    ) 0 0 3.5 ! 349
assign (resid  22 and name  HA2   )(resid  23 and name  HN    ) 0 0 3.5 ! 351 overlap
assign (resid  22 and name  HA1   )(resid   9 and name  HN    ) 0 0 5.0 ! 372
assign (resid  22 and name  HA2   )(resid   9 and name  HN    ) 0 0 5.0 ! 373
assign (resid  22 and name  HA1   )(resid  22 and name  HA2   ) 0 0 2.7 ! 500

! residue 23  LYS
assign (resid  23 and name  HB*   )(resid  20 and name  HN    ) 0 0 4.5 ! 83
assign (resid  23 and name  HG*   )(resid  20 and name  HN    ) 0 0 6.0 ! 84
assign (resid  23 and name  HN    )(resid  24 and name  HN    ) 0 0 5.0 ! 224
assign (resid  23 and name  HB*   )(resid  24 and name  HN    ) 0 0 3.7 ! 241
assign (resid  23 and name  HG*   )(resid  24 and name  HN    ) 0 0 4.5 ! 242
assign (resid  23 and name  HG*   )(resid   7 and name  HN    ) 0 0 6.0 ! 284
assign (resid  23 and name  HA    )(resid  23 and name  HN    ) 0 0 3.5 ! 345
assign (resid  23 and name  HB*   )(resid  23 and name  HN    ) 0 0 4.5 ! 359
assign (resid  23 and name  HG*   )(resid  23 and name  HN    ) 0 0 4.5 ! 361
assign (resid  23 and name  HB*   )(resid   9 and name  HN    ) 0 0 7.0 ! 379
assign (resid  23 and name  HG*   )(resid   9 and name  HN    ) 0 0 6.0 ! 380
assign (resid  23 and name  HB*   )(resid  23 and name  HA    ) 0 0 3.7 ! 425
assign (resid  23 and name  HG*   )(resid  23 and name  HA    ) 0 0 4.5 ! 426
assign (resid  23 and name  HB*   )(resid   6 and name  HA    ) 0 0 6.0 ! 498
assign (resid  23 and name  HG*   )(resid   6 and name  HA    ) 0 0 6.0 ! 499
assign (resid  23 and name  HA    )(resid   7 and name  HN    ) 0 0 5.0 ! 273
assign (resid  23 and name  HB*   )(resid   8 and name  HA    ) 0 0 6.0 ! 283K
assign (resid  23 and name  HG*   )(resid   8 and name  HA    ) 0 0 6.0 ! 283K

! residue 24  CYS
assign (resid  24 and name  HN    )(resid  25 and name  HN    ) 0 0 5.0 ! 22 w-m
assign (resid  24 and name  HA    )(resid  25 and name  HN    ) 0 0 2.7 ! 25
assign (resid  24 and name  HB1   )(resid  25 and name  HN    ) 0 0 5.0 ! 36
assign (resid  24 and name  HB2   )(resid  25 and name  HN    ) 0 0 5.0 ! 33
assign (resid  24 and name  HA    )(resid  18 and name  HN    ) 0 0 3.5 ! 51
assign (resid  24 and name  HB1   )(resid  18 and name  HN    ) 0 0 5.0 ! 56
assign (resid  24 and name  HB2   )(resid  18 and name  HN    ) 0 0 6.0 ! 58
assign (resid  24 and name  HA    )(resid  20 and name  HN    ) 0 0 3.5 ! 73 s
assign (resid  24 and name  HA    )(resid  19 and name  HN    ) 0 0 5.0 ! 140
assign (resid  24 and name  HA    )(resid  24 and name  HN    ) 0 0 2.7 ! 226
assign (resid  24 and name  HB1   )(resid  24 and name  HN    ) 0 0 5.0 ! 236
assign (resid  24 and name  HB2   )(resid  24 and name  HN    ) 0 0 5.0 ! 238
assign (resid  24 and name  HB*   )(resid   7 and name  HN    ) 0 0 4.5 ! 281
assign (resid  24 and name  HB*   )(resid  17 and name  HA    ) 0 0 7.0 ! 405 vw
assign (resid  24 and name  HB1   )(resid  24 and name  HA    ) 0 0 3.5 ! 419
assign (resid  24 and name  HB2   )(resid  24 and name  HA    ) 0 0 3.5 ! 422
assign (resid  24 and name  HB*   )(resid  13 and name  HA    ) 0 0 6.0 ! 437
assign (resid  24 and name  HB1   )(resid  24 and name  HB2   ) 0 0 3.5 ! 569
assign (resid  24 and name  HB1   )(resid  17 and name  HB1   ) 0 0 5.0 ! 570
assign (resid  24 and name  HB1   )(resid  17 and name  HB2   ) 0 0 5.0 ! 571
assign (resid  24 and name  HB1   )(resid  17 and name  HD1*  ) 0 0 6.5 ! 572
assign (resid  24 and name  HB1   )(resid  17 and name  HD2*  ) 0 0 6.5 ! 573 m
assign (resid  24 and name  HB2   )(resid  17 and name  HB1   ) 0 0 5.0 ! 585
assign (resid  24 and name  HB2   )(resid  17 and name  HB2   ) 0 0 5.0 ! 587
assign (resid  24 and name  HB*   )(resid  17 and name  HG    ) 0 0 6.0 ! 586
assign (resid  24 and name  HB2   )(resid  17 and name  HD1*  ) 0 0 6.5 ! 588 m
assign (resid  24 and name  HB2   )(resid  17 and name  HD2*  ) 0 0 6.5 ! 589 m
assign (resid  24 and name  HA    )(resid  26 and name  HN    ) 0 0 6.0 ! 159 vw
assign (resid  24 and name  HB*   )(resid  17 and name  HN    ) 0 0 6.0 ! 333
assign (resid  24 and name  HA    )(resid  25 and name  HG1*  ) 0 0 6.5 ! 428
assign (resid  24 and name  HA    )(resid  25 and name  HG2*  ) 0 0 6.5 ! 429

! residue 25  VAL
assign (resid  25 and name  HN    )(resid  26 and name  HN    ) 0 0 5.0 ! 21
assign (resid  25 and name  HA    )(resid  25 and name  HN    ) 0 0 3.5 ! 26
assign (resid  25 and name  HB    )(resid  25 and name  HN    ) 0 0 3.5 ! 37
assign (resid  25 and name  HG1*  )(resid  25 and name  HN    ) 0 0 4.2 ! 43
assign (resid  25 and name  HG2*  )(resid  25 and name  HN    ) 0 0 4.2 ! 44
assign (resid  25 and name  HA    )(resid  18 and name  HN    ) 0 0 5.0 ! 52
assign (resid  25 and name  HG1*  )(resid  18 and name  HN    ) 0 0 6.5 ! 66
assign (resid  25 and name  HG2*  )(resid  18 and name  HN    ) 0 0 6.5 ! 67
assign (resid  25 and name  HB    )(resid  20 and name  HN    ) 0 0 5.0 ! 80
assign (resid  25 and name  HG1*  )(resid  20 and name  HN    ) 0 0 5.0 ! 85
assign (resid  25 and name  HG2*  )(resid  20 and name  HN    ) 0 0 5.0 ! 86
assign (resid  25 and name  HG1*  )(resid  19 and name  HN    ) 0 0 7.5 ! 153
assign (resid  25 and name  HG2*  )(resid  19 and name  HN    ) 0 0 7.5 ! 154
assign (resid  25 and name  HA    )(resid  26 and name  HN    ) 0 0 2.7 ! 160
assign (resid  25 and name  HB    )(resid  26 and name  HN    ) 0 0 2.7 ! 167
assign (resid  25 and name  HG1*  )(resid  26 and name  HN    ) 0 0 5.2 ! 173
assign (resid  25 and name  HG2*  )(resid  26 and name  HN    ) 0 0 5.2 ! 174
assign (resid  25 and name  HG*   )(resid  23 and name  HN    ) 0 0 7.5 ! 363
assign (resid  25 and name  HA    )(resid  25 and name  HB    ) 0 0 2.7 ! 445
assign (resid  25 and name  HA    )(resid  25 and name  HG1*  ) 0 0 5.0 ! 447
assign (resid  25 and name  HA    )(resid  25 and name  HG2*  ) 0 0 5.0 ! 448
assign (resid  25 and name  HA    )(resid  17 and name  HD1*  ) 0 0 6.5 ! 449
assign (resid  25 and name  HA    )(resid  17 and name  HD2*  ) 0 0 6.5 ! 450
assign (resid  25 and name  HG1*  )(resid  24 and name  HN    ) 0 0 6.5 ! 244
assign (resid  25 and name  HG2*  )(resid  24 and name  HN    ) 0 0 6.5 ! 245
assign (resid  25 and name  HA    )(resid   5 and name  HG*   ) 0 0 6.0 ! 446

! residue 26  SER
assign (resid  26 and name  HA    )(resid  18 and name  HN    ) 0 0 5.0 ! 54 m
assign (resid  26 and name  HN    )(resid  27 and name  HN    ) 0 0 5.0 ! 157
assign (resid  26 and name  HA    )(resid  26 and name  HN    ) 0 0 2.7 ! 161
assign (resid  26 and name  HB*   )(resid  26 and name  HN    ) 0 0 2.7 ! 163
assign (resid  26 and name  HA    )(resid  28 and name  HN    ) 0 0 3.5 ! 305
assign (resid  26 and name  HB*   )(resid  28 and name  HN    ) 0 0 4.5 ! 307
assign (resid  26 and name  HA    )(resid  17 and name  HN    ) 0 0 5.0 ! 327
assign (resid  26 and name  HA    )(resid  27 and name  HN    ) 0 0 2.7 ! 347
assign (resid  26 and name  HB*   )(resid  27 and name  HN    ) 0 0 3.7 ! 352
assign (resid  26 and name  HB*   )(resid  26 and name  HA    ) 0 0 3.7 ! 478
assign (resid  26 and name  HB*   )(resid  17 and name  HA    ) 0 0 7.0 ! 403

! residue 27  ILE
assign (resid  27 and name  HA    )(resid  18 and name  HN    ) 0 0 5.0 ! 55
assign (resid  27 and name  HG2*  )(resid  16 and name  HN    ) 0 0 5.0 ! 121
assign (resid  27 and name  HD1*  )(resid  16 and name  HN    ) 0 0 6.5 ! 122 w
assign (resid  27 and name  HG2*  )(resid  19 and name  HN    ) 0 0 6.5 ! 155
assign (resid  27 and name  HD1*  )(resid  29 and name  HN    ) 0 0 6.5 ! 272
assign (resid  27 and name  HN    )(resid  28 and name  HN    ) 0 0 2.7 ! 302
assign (resid  27 and name  HA    )(resid  28 and name  HN    ) 0 0 3.5 ! 306
assign (resid  27 and name  HB    )(resid  28 and name  HN    ) 0 0 3.5 ! 312
assign (resid  27 and name  HG11  )(resid  28 and name  HN    ) 0 0 5.0 ! 313
assign (resid  27 and name  HG12  )(resid  28 and name  HN    ) 0 0 5.0 ! 314
assign (resid  27 and name  HG2*  )(resid  28 and name  HN    ) 0 0 5.0 ! 315
assign (resid  27 and name  HD1*  )(resid  28 and name  HN    ) 0 0 4.2 ! 316
assign (resid  27 and name  HD1*  )(resid  30 and name  HN    ) 0 0 6.5 ! 325
assign (resid  27 and name  HA    )(resid  27 and name  HN    ) 0 0 3.5 ! 350 m-s
assign (resid  27 and name  HB    )(resid  27 and name  HN    ) 0 0 3.5 ! 360
assign (resid  27 and name  HG11  )(resid  27 and name  HN    ) 0 0 5.0 ! 364
assign (resid  27 and name  HG12  )(resid  27 and name  HN    ) 0 0 5.0 ! 365
assign (resid  27 and name  HG2*  )(resid  27 and name  HN    ) 0 0 5.0 ! 366
assign (resid  27 and name  HD1*  )(resid  27 and name  HN    ) 0 0 5.0 ! 367
assign (resid  27 and name  HB    )(resid  28 and name  HD*   ) 0 0 8.0 ! 386
assign (resid  27 and name  HG11  )(resid  28 and name  HD*   ) 0 0 7.0 ! 387
assign (resid  27 and name  HG12  )(resid  28 and name  HD*   ) 0 0 7.0 ! 388
assign (resid  27 and name  HG2*  )(resid  28 and name  HD*   ) 0 0 8.5 ! 389
assign (resid  27 and name  HD1*  )(resid  28 and name  HD*   ) 0 0 8.5 ! 390
assign (resid  27 and name  HB    )(resid  28 and name  HE*   ) 0 0 8.0 ! 397
assign (resid  27 and name  HG11  )(resid  28 and name  HE*   ) 0 0 7.0 ! 398
assign (resid  27 and name  HG12  )(resid  28 and name  HE*   ) 0 0 7.0 ! 399
assign (resid  27 and name  HG2*  )(resid  28 and name  HE*   ) 0 0 7.0 ! 400
assign (resid  27 and name  HD1*  )(resid  28 and name  HE*   ) 0 0 7.0 ! 401
assign (resid  27 and name  HA    )(resid  18 and name  HG*   ) 0 0 6.0 ! 511
assign (resid  27 and name  HA    )(resid  27 and name  HB1   ) 0 0 2.7 ! 513
assign (resid  27 and name  HA    )(resid  27 and name  HG11  ) 0 0 5.0 ! 516
assign (resid  27 and name  HA    )(resid  27 and name  HG12  ) 0 0 5.0 ! 517
assign (resid  27 and name  HA    )(resid  27 and name  HG2*  ) 0 0 6.5 ! 519
assign (resid  27 and name  HA    )(resid  27 and name  HD1*  ) 0 0 4.2 ! 520
assign (resid  27 and name  HG1*  )(resid  17 and name  HA    ) 0 0 7.5 ! 409

! residue 28  TYR
assign (resid  28 and name  HN    )(resid  29 and name  HN    ) 0 0 3.5 ! 265
assign (resid  28 and name  HA    )(resid  29 and name  HN    ) 0 0 3.5 ! 267 s
assign (resid  28 and name  HB1   )(resid  29 and name  HN    ) 0 0 3.5 ! 270
assign (resid  28 and name  HB2   )(resid  29 and name  HN    ) 0 0 3.5 ! 271
assign (resid  28 and name  HA    )(resid  28 and name  HN    ) 0 0 3.5 ! 304
assign (resid  28 and name  HB1   )(resid  28 and name  HN    ) 0 0 3.5 ! 308
assign (resid  28 and name  HB2   )(resid  28 and name  HN    ) 0 0 3.5 ! 309
assign (resid  28 and name  HA    )(resid  30 and name  HN    ) 0 0 5.0 ! 317
assign (resid  28 and name  HB*   )(resid  30 and name  HN    ) 0 0 7.0 ! 321 vw
assign (resid  28 and name  HA    )(resid  28 and name  HD*   ) 0 0 4.7 ! 381
assign (resid  29 and name  HA1   )(resid  28 and name  HD*   ) 0 0 7.0 ! 382
assign (resid  29 and name  HA2   )(resid  28 and name  HD*   ) 0 0 7.0 ! 383
assign (resid  28 and name  HB1   )(resid  28 and name  HD*   ) 0 0 4.7 ! 384
assign (resid  28 and name  HB2   )(resid  28 and name  HD*   ) 0 0 4.7 ! 385
assign (resid  28 and name  HA    )(resid  28 and name  HE*   ) 0 0 7.0 ! 392
assign (resid  28 and name  HB1   )(resid  28 and name  HE*   ) 0 0 7.0 ! 395
assign (resid  28 and name  HB2   )(resid  28 and name  HE*   ) 0 0 7.0 ! 396
assign (resid  28 and name  HB1   )(resid  28 and name  HA    ) 0 0 3.5 ! 460
assign (resid  28 and name  HB2   )(resid  28 and name  HA    ) 0 0 3.5 ! 461
assign (resid  28 and name  HB1   )(resid  28 and name  HB2   ) 0 0 3.5 ! 568

! residue 29  GLY
assign (resid  29 and name  HN    )(resid  30 and name  HN    ) 0 0 3.5 ! 266
assign (resid  29 and name  HA1   )(resid  29 and name  HN    ) 0 0 2.7 ! 268
assign (resid  29 and name  HA2   )(resid  29 and name  HN    ) 0 0 2.7 ! 269
assign (resid  29 and name  HA1   )(resid  30 and name  HN    ) 0 0 3.5 ! 319
assign (resid  29 and name  HA2   )(resid  30 and name  HN    ) 0 0 3.5 ! 320
assign (resid  29 and name  HA1   )(resid  29 and name  HA2   ) 0 0 2.7 ! 501

! residue 30  GLU
assign (resid  30 and name  HA    )(resid  30 and name  HN    ) 0 0 3.5 ! 318
assign (resid  30 and name  HG*   )(resid  30 and name  HN    ) 0 0 4.5 ! 322
assign (resid  30 and name  HB1   )(resid  30 and name  HN    ) 0 0 3.5 ! 323
assign (resid  30 and name  HB2   )(resid  30 and name  HN    ) 0 0 3.5 ! 324
                                              

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          1H        SER   1 -11.438   3.670  19.533
    2   2H    SER   1          2H        SER   1 -12.243   4.922  18.714
    3   3H    SER   1          3H        SER   1 -10.572   4.705  18.503
    4    HA   SER   1           HA       SER   1 -12.797   3.063  17.500
    5   1HB   SER   1          1HB       SER   1 -10.284   3.886  15.972
    6   2HB   SER   1          2HB       SER   1 -11.593   5.053  16.201
    7    HG   SER   1           HG       SER   1 -11.598   2.592  14.874
    8    H    CYS   2           H        CYS   2 -11.483   1.465  15.872
    9    HA   CYS   2           HA       CYS   2  -9.261   0.014  17.063
   10   1HB   CYS   2          1HB       CYS   2 -11.144  -0.746  18.509
   11   2HB   CYS   2          2HB       CYS   2 -10.455  -2.040  17.573
   12    H    SER   3           H        SER   3  -8.628  -1.836  15.787
   13    HA   SER   3           HA       SER   3  -9.094  -1.413  12.931
   14   1HB   SER   3          1HB       SER   3  -7.386  -3.589  13.076
   15   2HB   SER   3          2HB       SER   3  -7.132  -2.887  14.661
   16    HG   SER   3           HG       SER   3  -5.833  -2.047  12.982
   17    H    GLY   4           H        GLY   4 -11.142  -2.129  12.379
   18   1HA   GLY   4          1HA       GLY   4 -12.979  -3.584  12.190
   19   2HA   GLY   4          2HA       GLY   4 -12.245  -4.578  13.422
   20    H    ARG   5           H        ARG   5 -13.253  -6.010  11.412
   21    HA   ARG   5           HA       ARG   5 -11.342  -7.711  10.515
   22   1HB   ARG   5          1HB       ARG   5 -12.988  -8.063   8.465
   23   2HB   ARG   5          2HB       ARG   5 -13.975  -6.875   9.297
   24   1HG   ARG   5          1HG       ARG   5 -13.898  -8.294  11.368
   25   2HG   ARG   5          2HG       ARG   5 -12.948  -9.487  10.498
   26   1HD   ARG   5          1HD       ARG   5 -15.729  -8.608   9.615
   27   2HD   ARG   5          2HD       ARG   5 -15.397 -10.031  10.595
   28    HE   ARG   5           HE       ARG   5 -14.063  -9.692   7.941
   29   1HH1  ARG   5          1HH1      ARG   5 -15.058 -12.800   7.003
   30   2HH1  ARG   5          2HH1      ARG   5 -14.135 -11.391   6.599
   31   1HH2  ARG   5          1HH2      ARG   5 -16.165 -11.516  10.045
   32   2HH2  ARG   5          2HH2      ARG   5 -16.216 -12.863   8.964
   33    H    ASP   6           H        ASP   6  -9.770  -7.797   9.324
   34    HA   ASP   6           HA       ASP   6  -8.297  -7.651   7.582
   35   1HB   ASP   6          1HB       ASP   6  -9.655  -5.466   6.073
   36   2HB   ASP   6          2HB       ASP   6 -10.621  -6.910   6.315
   37    H    SER   7           H        SER   7  -8.884  -5.215   9.672
   38    HA   SER   7           HA       SER   7  -7.114  -3.180   8.543
   39   1HB   SER   7          1HB       SER   7  -7.482  -2.094  10.824
   40   2HB   SER   7          2HB       SER   7  -8.376  -3.552  11.282
   41    HG   SER   7           HG       SER   7  -8.900  -1.869   9.076
   42    H    ARG   8           H        ARG   8  -5.111  -2.500   9.473
   43    HA   ARG   8           HA       ARG   8  -3.214  -4.538   9.856
   44   1HB   ARG   8          1HB       ARG   8  -2.705  -2.234   9.060
   45   2HB   ARG   8          2HB       ARG   8  -1.636  -2.713  10.355
   46   1HG   ARG   8          1HG       ARG   8  -4.139  -1.274  11.209
   47   2HG   ARG   8          2HG       ARG   8  -3.007  -0.327  10.275
   48   1HD   ARG   8          1HD       ARG   8  -1.877  -1.982  12.531
   49   2HD   ARG   8          2HD       ARG   8  -2.755  -0.512  12.937
   50    HE   ARG   8           HE       ARG   8  -1.014   0.246  10.899
   51   1HH1  ARG   8          1HH1      ARG   8   1.804   0.795  12.750
   52   2HH1  ARG   8          2HH1      ARG   8   0.968   1.106  11.264
   53   1HH2  ARG   8          1HH2      ARG   8  -0.748  -1.207  14.035
   54   2HH2  ARG   8          2HH2      ARG   8   0.816  -0.532  14.342
   55    H    CYS   9           H        CYS   9  -2.518  -5.639  11.574
   56    HA   CYS   9           HA       CYS   9  -2.749  -4.741  14.300
   57   1HB   CYS   9          1HB       CYS   9  -4.905  -5.543  14.251
   58   2HB   CYS   9          2HB       CYS   9  -4.068  -7.013  14.672
   59    HA   HYP  10           HA       HYP  10  -3.104  -6.166  16.193
   60   1HB   HYP  10          1HB       HYP  10  -3.385  -8.294  16.936
   61   2HB   HYP  10          2HB       HYP  10  -2.186  -7.855  18.147
   62   1HD   HYP  10          1HD1      HYP  10  -0.581  -8.864  14.443
   63   2HD   HYP  10          2HD1      HYP  10   0.379  -7.862  15.557
   64    HOD  HYP  10           HD2      HYP  10  -1.452 -10.505  15.347
   65    HG   HYP  10           HG       HYP  10  -0.581  -9.314  17.210
   66    HA   HYP  11           HA       HYP  11  -3.268  -6.413  18.822
   67   1HB   HYP  11          1HB       HYP  11  -2.134  -6.618  20.871
   68   2HB   HYP  11          2HB       HYP  11  -2.982  -5.133  21.256
   69   1HD   HYP  11          1HD1      HYP  11   0.438  -4.646  18.883
   70   2HD   HYP  11          2HD1      HYP  11  -0.798  -3.377  18.949
   71    HOD  HYP  11           HD2      HYP  11   0.905  -5.377  20.951
   72    HG   HYP  11           HG       HYP  11  -0.904  -4.022  21.280
   73    H    VAL  12           H        VAL  12  -3.412  -4.620  16.942
   74    HA   VAL  12           HA       VAL  12  -4.695  -2.166  17.893
   75    HB   VAL  12           HB       VAL  12  -4.456  -3.046  15.027
   76   1HG1  VAL  12          1HG1      VAL  12  -4.464  -0.267  16.303
   77   2HG1  VAL  12          2HG1      VAL  12  -5.847  -1.006  15.517
   78   3HG1  VAL  12          3HG1      VAL  12  -4.425  -0.603  14.580
   79   1HG2  VAL  12          1HG2      VAL  12  -2.176  -3.225  15.886
   80   2HG2  VAL  12          2HG2      VAL  12  -2.331  -1.718  16.775
   81   3HG2  VAL  12          3HG2      VAL  12  -2.269  -1.704  15.020
   82    H    CYS  13           H        CYS  13  -5.613  -5.156  16.389
   83    HA   CYS  13           HA       CYS  13  -8.114  -4.526  15.395
   84   1HB   CYS  13          1HB       CYS  13  -8.674  -6.908  15.844
   85   2HB   CYS  13          2HB       CYS  13  -7.143  -7.045  16.653
   86    H    CYS  14           H        CYS  14 -10.123  -5.019  15.906
   87    HA   CYS  14           HA       CYS  14 -11.097  -3.936  18.362
   88   1HB   CYS  14          1HB       CYS  14 -13.335  -4.485  17.337
   89   2HB   CYS  14          2HB       CYS  14 -12.534  -5.453  16.167
   90    H    MET  15           H        MET  15 -12.806  -5.134  19.646
   91    HA   MET  15           HA       MET  15 -11.614  -7.399  20.866
   92   1HB   MET  15          1HB       MET  15 -14.564  -6.990  21.296
   93   2HB   MET  15          2HB       MET  15 -13.564  -5.590  21.601
   94   1HG   MET  15          1HG       MET  15 -13.265  -6.466  23.635
   95   2HG   MET  15          2HG       MET  15 -12.102  -7.516  22.894
   96   1HE   MET  15          1HE       MET  15 -12.024  -9.759  22.895
   97   2HE   MET  15          2HE       MET  15 -13.345 -10.165  21.778
   98   3HE   MET  15          3HE       MET  15 -13.243 -10.911  23.373
   99    H    GLY  16           H        GLY  16 -11.426  -9.289  19.964
  100   1HA   GLY  16          1HA       GLY  16 -13.719 -10.527  18.490
  101   2HA   GLY  16          2HA       GLY  16 -12.569 -11.422  19.483
  102    H    LEU  17           H        LEU  17 -11.166  -8.891  17.710
  103    HA   LEU  17           HA       LEU  17 -10.367 -10.655  15.459
  104   1HB   LEU  17          1HB       LEU  17  -9.560  -8.343  14.576
  105   2HB   LEU  17          2HB       LEU  17 -10.499  -7.699  15.890
  106    HG   LEU  17           HG       LEU  17 -12.518  -8.919  15.008
  107   1HD1  LEU  17          1HD1      LEU  17 -11.780  -6.413  14.648
  108   2HD1  LEU  17          2HD1      LEU  17 -12.992  -7.026  13.535
  109   3HD1  LEU  17          3HD1      LEU  17 -11.305  -6.920  13.059
  110   1HD2  LEU  17          1HD2      LEU  17 -11.732  -8.930  12.244
  111   2HD2  LEU  17          2HD2      LEU  17 -12.267 -10.291  13.208
  112   3HD2  LEU  17          3HD2      LEU  17 -10.558  -9.877  13.120
  113    H    MET  18           H        MET  18  -8.270 -10.966  14.941
  114    HA   MET  18           HA       MET  18  -6.085  -9.903  16.701
  115   1HB   MET  18          1HB       MET  18  -6.655 -12.346  17.279
  116   2HB   MET  18          2HB       MET  18  -5.021 -12.120  16.716
  117   1HG   MET  18          1HG       MET  18  -6.597 -12.616  14.401
  118   2HG   MET  18          2HG       MET  18  -7.084 -13.776  15.592
  119   1HE   MET  18          1HE       MET  18  -4.580 -16.352  15.735
  120   2HE   MET  18          2HE       MET  18  -6.078 -15.643  16.281
  121   3HE   MET  18          3HE       MET  18  -4.545 -15.120  17.004
  122    H    CYS  19           H        CYS  19  -4.368 -11.685  14.704
  123    HA   CYS  19           HA       CYS  19  -4.960 -10.207  12.196
  124   1HB   CYS  19          1HB       CYS  19  -2.147  -9.941  12.946
  125   2HB   CYS  19          2HB       CYS  19  -3.257  -9.091  13.987
  126    H    SER  20           H        SER  20  -4.805 -11.333  10.581
  127    HA   SER  20           HA       SER  20  -3.341 -13.852  10.482
  128   1HB   SER  20          1HB       SER  20  -4.414 -13.659   7.982
  129   2HB   SER  20          2HB       SER  20  -5.431 -12.448   8.778
  130    HG   SER  20           HG       SER  20  -6.442 -14.169   9.449
  131    H    ARG  21           H        ARG  21  -1.479 -12.466  10.923
  132    HA   ARG  21           HA       ARG  21   0.623 -11.746  10.335
  133   1HB   ARG  21          1HB       ARG  21   1.475 -12.172   8.134
  134   2HB   ARG  21          2HB       ARG  21  -0.108 -12.100   7.390
  135   1HG   ARG  21          1HG       ARG  21  -0.767 -14.194   8.315
  136   2HG   ARG  21          2HG       ARG  21   0.492 -14.153   9.535
  137   1HD   ARG  21          1HD       ARG  21   1.155 -15.758   7.810
  138   2HD   ARG  21          2HD       ARG  21   2.207 -14.355   7.643
  139    HE   ARG  21           HE       ARG  21  -0.055 -13.922   5.992
  140   1HH1  ARG  21          1HH1      ARG  21   2.719 -16.389   4.569
  141   2HH1  ARG  21          2HH1      ARG  21   2.644 -16.079   6.270
  142   1HH2  ARG  21          1HH2      ARG  21   0.024 -14.299   3.831
  143   2HH2  ARG  21          2HH2      ARG  21   1.217 -15.367   3.167
  144    H    GLY  22           H        GLY  22  -2.065 -10.024   9.835
  145   1HA   GLY  22          1HA       GLY  22  -0.792  -7.813   8.301
  146   2HA   GLY  22          2HA       GLY  22  -1.100  -7.497   9.996
  147    H    LYS  23           H        LYS  23  -3.606  -9.362   9.192
  148    HA   LYS  23           HA       LYS  23  -5.364  -7.021   8.597
  149   1HB   LYS  23          1HB       LYS  23  -6.660  -8.695   7.068
  150   2HB   LYS  23          2HB       LYS  23  -5.212  -9.678   7.128
  151   1HG   LYS  23          1HG       LYS  23  -3.905  -7.652   6.301
  152   2HG   LYS  23          2HG       LYS  23  -5.437  -6.827   6.083
  153   1HD   LYS  23          1HD       LYS  23  -6.158  -8.600   4.477
  154   2HD   LYS  23          2HD       LYS  23  -4.656  -9.459   4.751
  155   1HE   LYS  23          1HE       LYS  23  -4.523  -8.102   2.673
  156   2HE   LYS  23          2HE       LYS  23  -3.363  -7.530   3.863
  157   1HZ   LYS  23          1HZ       LYS  23  -5.970  -6.301   3.990
  158   2HZ   LYS  23          2HZ       LYS  23  -5.088  -5.966   2.580
  159   3HZ   LYS  23          3HZ       LYS  23  -4.428  -5.600   4.103
  160    H    CYS  24           H        CYS  24  -7.112  -7.038   9.993
  161    HA   CYS  24           HA       CYS  24  -7.178  -8.984  12.050
  162   1HB   CYS  24          1HB       CYS  24  -9.355  -7.948  12.692
  163   2HB   CYS  24          2HB       CYS  24  -9.381  -7.075  11.201
  164    H    VAL  25           H        VAL  25  -8.362 -10.595  12.548
  165    HA   VAL  25           HA       VAL  25 -10.459 -11.635  10.796
  166    HB   VAL  25           HB       VAL  25  -9.231 -13.896  11.035
  167   1HG1  VAL  25          1HG1      VAL  25  -8.191 -13.661   8.850
  168   2HG1  VAL  25          2HG1      VAL  25  -7.956 -11.935   9.078
  169   3HG1  VAL  25          3HG1      VAL  25  -9.573 -12.584   8.859
  170   1HG2  VAL  25          1HG2      VAL  25  -7.384 -12.627  12.499
  171   2HG2  VAL  25          2HG2      VAL  25  -6.640 -12.378  10.938
  172   3HG2  VAL  25          3HG2      VAL  25  -6.966 -14.007  11.514
  173    H    SER  26           H        SER  26 -11.802 -12.873  11.878
  174    HA   SER  26           HA       SER  26 -12.117 -12.562  14.661
  175   1HB   SER  26          1HB       SER  26 -13.702 -14.746  14.111
  176   2HB   SER  26          2HB       SER  26 -13.479 -14.061  12.493
  177    HG   SER  26           HG       SER  26 -14.056 -12.038  13.343
  178    H    ILE  27           H        ILE  27 -11.173 -13.446  16.210
  179    HA   ILE  27           HA       ILE  27  -9.145 -15.420  16.174
  180    HB   ILE  27           HB       ILE  27  -9.356 -15.385  18.585
  181   1HG1  ILE  27          1HG1      ILE  27 -12.054 -14.226  18.023
  182   2HG1  ILE  27          2HG1      ILE  27 -11.188 -13.474  19.343
  183   1HG2  ILE  27          1HG2      ILE  27  -9.497 -12.546  18.478
  184   2HG2  ILE  27          2HG2      ILE  27  -8.939 -13.041  16.896
  185   3HG2  ILE  27          3HG2      ILE  27  -8.073 -13.550  18.333
  186   1HD1  ILE  27          1HD1      ILE  27 -12.366 -15.272  20.328
  187   2HD1  ILE  27          2HD1      ILE  27 -10.700 -15.823  20.211
  188   3HD1  ILE  27          3HD1      ILE  27 -11.895 -16.396  19.063
  189    H    TYR  28           H        TYR  28 -12.493 -15.536  16.620
  190    HA   TYR  28           HA       TYR  28 -12.963 -18.113  17.676
  191   1HB   TYR  28          1HB       TYR  28 -15.240 -17.811  16.891
  192   2HB   TYR  28          2HB       TYR  28 -14.736 -16.734  15.601
  193    HD1  TYR  28           HD1      TYR  28 -14.946 -17.020  19.323
  194    HD2  TYR  28           HD2      TYR  28 -14.500 -14.385  16.008
  195    HE1  TYR  28           HE1      TYR  28 -15.200 -15.091  20.811
  196    HE2  TYR  28           HE2      TYR  28 -14.751 -12.465  17.494
  197    HH   TYR  28           HH       TYR  28 -14.388 -11.976  19.939
  198    H    GLY  29           H        GLY  29 -12.947 -17.075  14.300
  199   1HA   GLY  29          1HA       GLY  29 -12.680 -18.255  12.303
  200   2HA   GLY  29          2HA       GLY  29 -13.083 -19.721  13.197
  201    H    GLU  30           H        GLU  30 -10.516 -17.344  13.578
  202    HA   GLU  30           HA       GLU  30  -8.451 -19.349  13.922
  203   1HB   GLU  30          1HB       GLU  30  -8.537 -17.452  11.526
  204   2HB   GLU  30          2HB       GLU  30  -8.557 -19.201  11.471
  205   1HG   GLU  30          1HG       GLU  30  -6.315 -19.207  11.369
  206   2HG   GLU  30          2HG       GLU  30  -6.258 -18.570  13.004
  Start of MODEL    2
    1   1H    SER   1          1H        SER   1  -9.747   4.998  17.557
    2   2H    SER   1          2H        SER   1 -10.376   4.267  18.955
    3   3H    SER   1          3H        SER   1 -11.290   5.432  18.122
    4    HA   SER   1           HA       SER   1 -12.190   3.332  17.585
    5   1HB   SER   1          1HB       SER   1 -11.983   4.938  15.657
    6   2HB   SER   1          2HB       SER   1 -11.744   3.283  15.077
    7    HG   SER   1           HG       SER   1  -9.589   3.581  15.073
    8    H    CYS   2           H        CYS   2 -11.827   1.283  16.416
    9    HA   CYS   2           HA       CYS   2  -9.186   0.032  17.086
   10   1HB   CYS   2          1HB       CYS   2 -11.001  -0.699  18.598
   11   2HB   CYS   2          2HB       CYS   2 -10.403  -2.005  17.614
   12    H    SER   3           H        SER   3  -8.634  -1.818  15.780
   13    HA   SER   3           HA       SER   3  -9.154  -1.362  12.945
   14   1HB   SER   3          1HB       SER   3  -7.474  -3.601  13.114
   15   2HB   SER   3          2HB       SER   3  -7.165  -2.812  14.647
   16    HG   SER   3           HG       SER   3  -5.902  -2.080  12.906
   17    H    GLY   4           H        GLY   4 -11.196  -2.064  12.364
   18   1HA   GLY   4          1HA       GLY   4 -13.074  -3.467  12.202
   19   2HA   GLY   4          2HA       GLY   4 -12.371  -4.456  13.458
   20    H    ARG   5           H        ARG   5 -13.413  -5.920  11.453
   21    HA   ARG   5           HA       ARG   5 -11.513  -7.648  10.609
   22   1HB   ARG   5          1HB       ARG   5 -13.194  -7.887   8.494
   23   2HB   ARG   5          2HB       ARG   5 -14.183  -6.859   9.516
   24   1HG   ARG   5          1HG       ARG   5 -14.190  -8.449  11.305
   25   2HG   ARG   5          2HG       ARG   5 -12.825  -9.327  10.643
   26   1HD   ARG   5          1HD       ARG   5 -14.766  -9.457   8.596
   27   2HD   ARG   5          2HD       ARG   5 -15.661  -9.703  10.090
   28    HE   ARG   5           HE       ARG   5 -13.748 -11.537   8.928
   29   1HH1  ARG   5          1HH1      ARG   5 -14.657 -11.752  12.788
   30   2HH1  ARG   5          2HH1      ARG   5 -15.024 -10.318  11.897
   31   1HH2  ARG   5          1HH2      ARG   5 -13.260 -13.374  10.021
   32   2HH2  ARG   5          2HH2      ARG   5 -13.615 -13.539  11.702
   33    H    ASP   6           H        ASP   6  -9.972  -7.814   9.462
   34    HA   ASP   6           HA       ASP   6  -8.466  -7.780   7.739
   35   1HB   ASP   6          1HB       ASP   6  -9.747  -5.616   6.133
   36   2HB   ASP   6          2HB       ASP   6 -10.745  -7.031   6.410
   37    H    SER   7           H        SER   7  -8.980  -5.267   9.737
   38    HA   SER   7           HA       SER   7  -7.163  -3.312   8.546
   39   1HB   SER   7          1HB       SER   7  -7.518  -2.126  10.774
   40   2HB   SER   7          2HB       SER   7  -8.388  -3.572  11.310
   41    HG   SER   7           HG       SER   7  -9.901  -3.262   9.902
   42    H    ARG   8           H        ARG   8  -5.154  -2.654   9.435
   43    HA   ARG   8           HA       ARG   8  -3.259  -4.678   9.849
   44   1HB   ARG   8          1HB       ARG   8  -1.789  -2.704  10.687
   45   2HB   ARG   8          2HB       ARG   8  -3.211  -1.706  10.475
   46   1HG   ARG   8          1HG       ARG   8  -2.221  -1.436   8.390
   47   2HG   ARG   8          2HG       ARG   8  -3.277  -2.785   8.043
   48   1HD   ARG   8          1HD       ARG   8  -1.495  -4.145   7.569
   49   2HD   ARG   8          2HD       ARG   8  -0.711  -3.770   9.093
   50    HE   ARG   8           HE       ARG   8   0.603  -2.180   7.997
   51   1HH1  ARG   8          1HH1      ARG   8  -1.571  -2.161   4.670
   52   2HH1  ARG   8          2HH1      ARG   8  -2.121  -3.049   6.052
   53   1HH2  ARG   8          1HH2      ARG   8   1.333  -1.053   6.262
   54   2HH2  ARG   8          2HH2      ARG   8   0.421  -1.016   4.790
   55    H    CYS   9           H        CYS   9  -2.588  -5.790  11.570
   56    HA   CYS   9           HA       CYS   9  -2.776  -4.860  14.287
   57   1HB   CYS   9          1HB       CYS   9  -4.943  -5.604  14.255
   58   2HB   CYS   9          2HB       CYS   9  -4.144  -7.088  14.705
   59    HA   HYP  10           HA       HYP  10  -3.147  -6.260  16.198
   60   1HB   HYP  10          1HB       HYP  10  -3.458  -8.390  16.929
   61   2HB   HYP  10          2HB       HYP  10  -2.278  -7.951  18.159
   62   1HD   HYP  10          1HD1      HYP  10  -0.664  -9.010  14.465
   63   2HD   HYP  10          2HD1      HYP  10   0.311  -8.000  15.558
   64    HOD  HYP  10           HD2      HYP  10  -2.740 -10.418  16.615
   65    HG   HYP  10           HG       HYP  10  -0.647  -9.404  17.247
   66    HA   HYP  11           HA       HYP  11  -3.331  -6.476  18.813
   67   1HB   HYP  11          1HB       HYP  11  -2.207  -6.695  20.872
   68   2HB   HYP  11          2HB       HYP  11  -3.023  -5.190  21.243
   69   1HD   HYP  11          1HD1      HYP  11   0.415  -4.784  18.880
   70   2HD   HYP  11          2HD1      HYP  11  -0.800  -3.494  18.937
   71    HOD  HYP  11           HD2      HYP  11  -0.165  -6.195  21.828
   72    HG   HYP  11           HG       HYP  11  -0.919  -4.126  21.271
   73    H    VAL  12           H        VAL  12  -3.454  -4.712  16.922
   74    HA   VAL  12           HA       VAL  12  -4.647  -2.205  17.849
   75    HB   VAL  12           HB       VAL  12  -4.458  -3.132  14.993
   76   1HG1  VAL  12          1HG1      VAL  12  -4.427  -0.342  16.246
   77   2HG1  VAL  12          2HG1      VAL  12  -5.800  -1.063  15.426
   78   3HG1  VAL  12          3HG1      VAL  12  -4.348  -0.682  14.525
   79   1HG2  VAL  12          1HG2      VAL  12  -2.294  -1.786  16.682
   80   2HG2  VAL  12          2HG2      VAL  12  -2.235  -1.879  14.929
   81   3HG2  VAL  12          3HG2      VAL  12  -2.178  -3.347  15.885
   82    H    CYS  13           H        CYS  13  -5.712  -5.173  16.362
   83    HA   CYS  13           HA       CYS  13  -8.214  -4.362  15.453
   84   1HB   CYS  13          1HB       CYS  13  -8.856  -6.725  15.691
   85   2HB   CYS  13          2HB       CYS  13  -7.356  -7.008  16.530
   86    H    CYS  14           H        CYS  14 -10.183  -4.867  15.953
   87    HA   CYS  14           HA       CYS  14 -11.178  -3.863  18.415
   88   1HB   CYS  14          1HB       CYS  14 -13.409  -4.422  17.320
   89   2HB   CYS  14          2HB       CYS  14 -12.513  -5.299  16.130
   90    H    MET  15           H        MET  15 -12.990  -5.045  19.548
   91    HA   MET  15           HA       MET  15 -11.929  -7.277  20.922
   92   1HB   MET  15          1HB       MET  15 -14.877  -6.496  20.844
   93   2HB   MET  15          2HB       MET  15 -13.684  -5.572  21.730
   94   1HG   MET  15          1HG       MET  15 -13.202  -7.362  23.204
   95   2HG   MET  15          2HG       MET  15 -13.950  -8.546  22.170
   96   1HE   MET  15          1HE       MET  15 -14.239  -6.484  25.279
   97   2HE   MET  15          2HE       MET  15 -15.903  -5.922  25.310
   98   3HE   MET  15          3HE       MET  15 -14.804  -5.259  24.116
   99    H    GLY  16           H        GLY  16 -11.656  -9.213  20.152
  100   1HA   GLY  16          1HA       GLY  16 -13.794 -10.596  18.581
  101   2HA   GLY  16          2HA       GLY  16 -12.604 -11.376  19.618
  102    H    LEU  17           H        LEU  17 -11.609  -8.709  17.665
  103    HA   LEU  17           HA       LEU  17 -10.562 -10.448  15.533
  104   1HB   LEU  17          1HB       LEU  17  -9.867  -8.160  14.613
  105   2HB   LEU  17          2HB       LEU  17 -10.785  -7.465  15.924
  106    HG   LEU  17           HG       LEU  17 -12.758  -8.891  15.119
  107   1HD1  LEU  17          1HD1      LEU  17 -11.571  -6.464  13.747
  108   2HD1  LEU  17          2HD1      LEU  17 -13.045  -6.569  14.700
  109   3HD1  LEU  17          3HD1      LEU  17 -13.024  -7.161  13.061
  110   1HD2  LEU  17          1HD2      LEU  17 -12.636  -9.956  13.047
  111   2HD2  LEU  17          2HD2      LEU  17 -10.913  -9.973  13.399
  112   3HD2  LEU  17          3HD2      LEU  17 -11.574  -8.737  12.369
  113    H    MET  18           H        MET  18  -8.489 -10.816  15.170
  114    HA   MET  18           HA       MET  18  -6.357  -9.570  16.859
  115   1HB   MET  18          1HB       MET  18  -6.808 -11.852  17.780
  116   2HB   MET  18          2HB       MET  18  -5.266 -11.856  16.957
  117   1HG   MET  18          1HG       MET  18  -6.494 -12.750  14.909
  118   2HG   MET  18          2HG       MET  18  -7.892 -12.918  15.929
  119   1HE   MET  18          1HE       MET  18  -4.354 -15.649  15.450
  120   2HE   MET  18          2HE       MET  18  -4.155 -13.906  15.456
  121   3HE   MET  18          3HE       MET  18  -5.200 -14.692  14.245
  122    H    CYS  19           H        CYS  19  -4.747 -11.706  14.961
  123    HA   CYS  19           HA       CYS  19  -5.238 -10.292  12.404
  124   1HB   CYS  19          1HB       CYS  19  -2.406 -10.190  13.116
  125   2HB   CYS  19          2HB       CYS  19  -3.443  -9.221  14.127
  126    H    SER  20           H        SER  20  -5.079 -11.403  10.783
  127    HA   SER  20           HA       SER  20  -3.843 -14.047  10.747
  128   1HB   SER  20          1HB       SER  20  -4.812 -13.791   8.212
  129   2HB   SER  20          2HB       SER  20  -5.751 -12.488   8.955
  130    HG   SER  20           HG       SER  20  -6.575 -14.746   9.071
  131    H    ARG  21           H        ARG  21  -1.904 -12.714  11.256
  132    HA   ARG  21           HA       ARG  21   0.243 -12.092  10.721
  133   1HB   ARG  21          1HB       ARG  21   1.175 -12.794   8.643
  134   2HB   ARG  21          2HB       ARG  21  -0.328 -12.595   7.767
  135   1HG   ARG  21          1HG       ARG  21  -1.280 -14.557   8.691
  136   2HG   ARG  21          2HG       ARG  21  -0.169 -14.583  10.046
  137   1HD   ARG  21          1HD       ARG  21   1.631 -15.388   8.676
  138   2HD   ARG  21          2HD       ARG  21   0.773 -15.002   7.180
  139    HE   ARG  21           HE       ARG  21  -0.905 -16.766   8.527
  140   1HH1  ARG  21          1HH1      ARG  21   2.372 -18.505   7.111
  141   2HH1  ARG  21          2HH1      ARG  21   2.364 -16.795   7.378
  142   1HH2  ARG  21          1HH2      ARG  21  -0.921 -18.911   8.203
  143   2HH2  ARG  21          2HH2      ARG  21   0.476 -19.733   7.586
  144    H    GLY  22           H        GLY  22  -2.319 -10.274  10.092
  145   1HA   GLY  22          1HA       GLY  22  -0.970  -8.254   8.375
  146   2HA   GLY  22          2HA       GLY  22  -1.197  -7.799  10.048
  147    H    LYS  23           H        LYS  23  -3.837  -9.596   9.308
  148    HA   LYS  23           HA       LYS  23  -5.475  -7.169   8.710
  149   1HB   LYS  23          1HB       LYS  23  -6.858  -8.802   7.201
  150   2HB   LYS  23          2HB       LYS  23  -5.451  -9.840   7.265
  151   1HG   LYS  23          1HG       LYS  23  -4.083  -7.825   6.436
  152   2HG   LYS  23          2HG       LYS  23  -5.611  -7.014   6.156
  153   1HD   LYS  23          1HD       LYS  23  -6.292  -8.845   4.600
  154   2HD   LYS  23          2HD       LYS  23  -4.791  -9.686   4.931
  155   1HE   LYS  23          1HE       LYS  23  -4.625  -8.402   2.811
  156   2HE   LYS  23          2HE       LYS  23  -3.492  -7.778   4.000
  157   1HZ   LYS  23          1HZ       LYS  23  -4.569  -5.847   4.141
  158   2HZ   LYS  23          2HZ       LYS  23  -6.104  -6.562   4.047
  159   3HZ   LYS  23          3HZ       LYS  23  -5.215  -6.279   2.629
  160    H    CYS  24           H        CYS  24  -7.291  -7.105  10.059
  161    HA   CYS  24           HA       CYS  24  -7.427  -8.953  12.197
  162   1HB   CYS  24          1HB       CYS  24  -9.581  -7.844  12.749
  163   2HB   CYS  24          2HB       CYS  24  -9.594  -7.083  11.200
  164    H    VAL  25           H        VAL  25  -8.574 -10.538  12.736
  165    HA   VAL  25           HA       VAL  25 -10.722 -11.663  11.111
  166    HB   VAL  25           HB       VAL  25  -9.475 -13.902  11.367
  167   1HG1  VAL  25          1HG1      VAL  25  -8.268 -11.997   9.310
  168   2HG1  VAL  25          2HG1      VAL  25  -9.885 -12.667   9.159
  169   3HG1  VAL  25          3HG1      VAL  25  -8.492 -13.731   9.147
  170   1HG2  VAL  25          1HG2      VAL  25  -6.911 -12.333  11.171
  171   2HG2  VAL  25          2HG2      VAL  25  -7.169 -13.962  11.773
  172   3HG2  VAL  25          3HG2      VAL  25  -7.592 -12.591  12.759
  173    H    SER  26           H        SER  26 -12.011 -12.943  12.344
  174    HA   SER  26           HA       SER  26 -12.043 -12.540  15.151
  175   1HB   SER  26          1HB       SER  26 -14.036 -13.078  13.656
  176   2HB   SER  26          2HB       SER  26 -13.964 -14.042  15.134
  177    HG   SER  26           HG       SER  26 -13.597 -14.771  12.506
  178    H    ILE  27           H        ILE  27 -11.094 -13.599  16.717
  179    HA   ILE  27           HA       ILE  27  -8.959 -15.314  16.523
  180    HB   ILE  27           HB       ILE  27  -9.396 -16.013  18.802
  181   1HG1  ILE  27          1HG1      ILE  27 -11.334 -15.460  20.110
  182   2HG1  ILE  27          2HG1      ILE  27 -11.849 -16.383  18.726
  183   1HG2  ILE  27          1HG2      ILE  27  -8.327 -13.943  18.890
  184   2HG2  ILE  27          2HG2      ILE  27  -9.789 -13.530  19.762
  185   3HG2  ILE  27          3HG2      ILE  27  -9.622 -13.099  18.072
  186   1HD1  ILE  27          1HD1      ILE  27 -12.680 -14.404  17.611
  187   2HD1  ILE  27          2HD1      ILE  27 -11.952 -13.379  18.848
  188   3HD1  ILE  27          3HD1      ILE  27 -13.294 -14.417  19.254
  189    H    TYR  28           H        TYR  28 -12.265 -16.020  16.424
  190    HA   TYR  28           HA       TYR  28 -12.343 -18.844  16.727
  191   1HB   TYR  28          1HB       TYR  28 -14.562 -18.707  15.699
  192   2HB   TYR  28          2HB       TYR  28 -14.190 -17.151  14.984
  193    HD1  TYR  28           HD1      TYR  28 -15.401 -15.461  16.030
  194    HD2  TYR  28           HD2      TYR  28 -13.797 -18.569  18.462
  195    HE1  TYR  28           HE1      TYR  28 -16.250 -14.338  18.029
  196    HE2  TYR  28           HE2      TYR  28 -14.648 -17.442  20.458
  197    HH   TYR  28           HH       TYR  28 -16.822 -14.770  20.280
  198    H    GLY  29           H        GLY  29 -12.558 -17.036  13.650
  199   1HA   GLY  29          1HA       GLY  29 -11.988 -17.628  11.488
  200   2HA   GLY  29          2HA       GLY  29 -12.133 -19.308  11.997
  201    H    GLU  30           H        GLU  30 -10.047 -16.785  13.193
  202    HA   GLU  30           HA       GLU  30  -7.650 -18.421  13.043
  203   1HB   GLU  30          1HB       GLU  30  -6.790 -16.041  11.790
  204   2HB   GLU  30          2HB       GLU  30  -8.303 -16.383  10.983
  205   1HG   GLU  30          1HG       GLU  30  -7.513 -18.642  10.377
  206   2HG   GLU  30          2HG       GLU  30  -6.039 -18.405  11.302
  Start of MODEL    3
    1   1H    SER   1          1H        SER   1 -11.838   5.105  18.624
    2   2H    SER   1          2H        SER   1 -10.272   4.470  18.798
    3   3H    SER   1          3H        SER   1 -11.587   3.701  19.549
    4    HA   SER   1           HA       SER   1 -12.528   3.120  17.436
    5   1HB   SER   1          1HB       SER   1 -11.131   3.569  15.344
    6   2HB   SER   1          2HB       SER   1 -10.072   4.589  16.334
    7    HG   SER   1           HG       SER   1 -12.891   4.849  16.210
    8    H    CYS   2           H        CYS   2 -11.677   1.347  16.075
    9    HA   CYS   2           HA       CYS   2  -9.229   0.002  17.057
   10   1HB   CYS   2          1HB       CYS   2 -11.064  -0.749  18.547
   11   2HB   CYS   2          2HB       CYS   2 -10.418  -2.048  17.583
   12    H    SER   3           H        SER   3  -8.642  -1.834  15.748
   13    HA   SER   3           HA       SER   3  -9.178  -1.363  12.917
   14   1HB   SER   3          1HB       SER   3  -7.393  -3.515  13.052
   15   2HB   SER   3          2HB       SER   3  -7.125  -2.740  14.603
   16    HG   SER   3           HG       SER   3  -6.757  -0.823  13.620
   17    H    GLY   4           H        GLY   4 -11.153  -2.129  12.294
   18   1HA   GLY   4          1HA       GLY   4 -12.992  -3.585  12.112
   19   2HA   GLY   4          2HA       GLY   4 -12.258  -4.575  13.346
   20    H    ARG   5           H        ARG   5 -13.267  -5.982  11.296
   21    HA   ARG   5           HA       ARG   5 -11.365  -7.701  10.416
   22   1HB   ARG   5          1HB       ARG   5 -13.018  -7.994   8.338
   23   2HB   ARG   5          2HB       ARG   5 -13.990  -6.841   9.228
   24   1HG   ARG   5          1HG       ARG   5 -13.864  -8.320  11.249
   25   2HG   ARG   5          2HG       ARG   5 -12.918  -9.480  10.330
   26   1HD   ARG   5          1HD       ARG   5 -14.825  -9.752   8.739
   27   2HD   ARG   5          2HD       ARG   5 -15.768  -8.605   9.698
   28    HE   ARG   5           HE       ARG   5 -14.774 -10.685  11.401
   29   1HH1  ARG   5          1HH1      ARG   5 -17.614 -12.573  11.258
   30   2HH1  ARG   5          2HH1      ARG   5 -16.126 -12.276  12.091
   31   1HH2  ARG   5          1HH2      ARG   5 -17.077 -10.078   8.880
   32   2HH2  ARG   5          2HH2      ARG   5 -18.155 -11.323   9.412
   33    H    ASP   6           H        ASP   6  -9.754  -7.751   9.360
   34    HA   ASP   6           HA       ASP   6  -8.214  -7.683   7.657
   35   1HB   ASP   6          1HB       ASP   6  -9.630  -5.527   6.115
   36   2HB   ASP   6          2HB       ASP   6 -10.406  -7.101   6.232
   37    H    SER   7           H        SER   7  -8.849  -5.205   9.666
   38    HA   SER   7           HA       SER   7  -7.042  -3.196   8.548
   39   1HB   SER   7          1HB       SER   7  -7.492  -2.043  10.766
   40   2HB   SER   7          2HB       SER   7  -8.335  -3.515  11.271
   41    HG   SER   7           HG       SER   7  -9.817  -3.246   9.820
   42    H    ARG   8           H        ARG   8  -5.049  -2.533   9.490
   43    HA   ARG   8           HA       ARG   8  -3.166  -4.554   9.940
   44   1HB   ARG   8          1HB       ARG   8  -1.790  -2.524  10.949
   45   2HB   ARG   8          2HB       ARG   8  -3.182  -1.583  10.465
   46   1HG   ARG   8          1HG       ARG   8  -1.873  -1.444   8.538
   47   2HG   ARG   8          2HG       ARG   8  -2.894  -2.808   8.137
   48   1HD   ARG   8          1HD       ARG   8  -1.133  -4.323   8.235
   49   2HD   ARG   8          2HD       ARG   8  -0.371  -3.519   9.595
   50    HE   ARG   8           HE       ARG   8   0.887  -2.232   8.104
   51   1HH1  ARG   8          1HH1      ARG   8  -1.280  -3.177   4.906
   52   2HH1  ARG   8          2HH1      ARG   8  -1.798  -3.702   6.471
   53   1HH2  ARG   8          1HH2      ARG   8   1.573  -1.579   6.134
   54   2HH2  ARG   8          2HH2      ARG   8   0.668  -1.969   4.707
   55    H    CYS   9           H        CYS   9  -2.511  -5.680  11.628
   56    HA   CYS   9           HA       CYS   9  -2.747  -4.803  14.363
   57   1HB   CYS   9          1HB       CYS   9  -4.901  -5.566  14.287
   58   2HB   CYS   9          2HB       CYS   9  -4.095  -7.056  14.714
   59    HA   HYP  10           HA       HYP  10  -3.121  -6.224  16.239
   60   1HB   HYP  10          1HB       HYP  10  -3.438  -8.359  16.946
   61   2HB   HYP  10          2HB       HYP  10  -2.265  -7.942  18.187
   62   1HD   HYP  10          1HD1      HYP  10  -0.583  -8.927  14.501
   63   2HD   HYP  10          2HD1      HYP  10   0.350  -7.932  15.646
   64    HOD  HYP  10           HD2      HYP  10  -2.625 -10.470  16.631
   65    HG   HYP  10           HG       HYP  10  -0.644  -9.396  17.269
   66    HA   HYP  11           HA       HYP  11  -3.336  -6.480  18.838
   67   1HB   HYP  11          1HB       HYP  11  -2.277  -6.722  20.916
   68   2HB   HYP  11          2HB       HYP  11  -3.078  -5.209  21.287
   69   1HD   HYP  11          1HD1      HYP  11   0.402  -4.785  18.992
   70   2HD   HYP  11          2HD1      HYP  11  -0.814  -3.497  19.064
   71    HOD  HYP  11           HD2      HYP  11  -0.081  -6.659  20.270
   72    HG   HYP  11           HG       HYP  11  -0.944  -4.197  21.387
   73    H    VAL  12           H        VAL  12  -3.428  -4.687  16.963
   74    HA   VAL  12           HA       VAL  12  -4.676  -2.210  17.898
   75    HB   VAL  12           HB       VAL  12  -4.418  -3.099  15.048
   76   1HG1  VAL  12          1HG1      VAL  12  -4.475  -0.335  16.353
   77   2HG1  VAL  12          2HG1      VAL  12  -5.785  -1.056  15.435
   78   3HG1  VAL  12          3HG1      VAL  12  -4.294  -0.617  14.629
   79   1HG2  VAL  12          1HG2      VAL  12  -2.151  -3.303  15.957
   80   2HG2  VAL  12          2HG2      VAL  12  -2.298  -1.771  16.804
   81   3HG2  VAL  12          3HG2      VAL  12  -2.204  -1.805  15.050
   82    H    CYS  13           H        CYS  13  -5.673  -5.186  16.384
   83    HA   CYS  13           HA       CYS  13  -8.153  -4.374  15.405
   84   1HB   CYS  13          1HB       CYS  13  -8.811  -6.744  15.648
   85   2HB   CYS  13          2HB       CYS  13  -7.320  -7.020  16.508
   86    H    CYS  14           H        CYS  14 -10.142  -4.951  15.890
   87    HA   CYS  14           HA       CYS  14 -11.164  -3.909  18.332
   88   1HB   CYS  14          1HB       CYS  14 -13.383  -4.565  17.226
   89   2HB   CYS  14          2HB       CYS  14 -12.434  -5.401  16.052
   90    H    MET  15           H        MET  15 -12.906  -5.104  19.541
   91    HA   MET  15           HA       MET  15 -11.762  -7.362  20.844
   92   1HB   MET  15          1HB       MET  15 -14.665  -6.418  20.993
   93   2HB   MET  15          2HB       MET  15 -13.354  -5.647  21.857
   94   1HG   MET  15          1HG       MET  15 -13.111  -7.351  23.351
   95   2HG   MET  15          2HG       MET  15 -13.532  -8.598  22.216
   96   1HE   MET  15          1HE       MET  15 -15.632  -9.907  22.252
   97   2HE   MET  15          2HE       MET  15 -16.182  -8.559  21.225
   98   3HE   MET  15          3HE       MET  15 -17.195  -9.155  22.525
   99    H    GLY  16           H        GLY  16 -11.553  -9.238  19.870
  100   1HA   GLY  16          1HA       GLY  16 -13.846 -10.434  18.365
  101   2HA   GLY  16          2HA       GLY  16 -12.754 -11.362  19.397
  102    H    LEU  17           H        LEU  17 -11.406  -8.774  17.593
  103    HA   LEU  17           HA       LEU  17 -10.458 -10.547  15.421
  104   1HB   LEU  17          1HB       LEU  17  -9.733  -8.244  14.503
  105   2HB   LEU  17          2HB       LEU  17 -10.699  -7.572  15.781
  106    HG   LEU  17           HG       LEU  17 -12.647  -9.005  14.899
  107   1HD1  LEU  17          1HD1      LEU  17 -11.433  -6.554  13.597
  108   2HD1  LEU  17          2HD1      LEU  17 -12.887  -6.661  14.578
  109   3HD1  LEU  17          3HD1      LEU  17 -12.910  -7.220  12.929
  110   1HD2  LEU  17          1HD2      LEU  17 -11.562  -8.789  12.157
  111   2HD2  LEU  17          2HD2      LEU  17 -12.354 -10.158  12.914
  112   3HD2  LEU  17          3HD2      LEU  17 -10.631  -9.881  13.139
  113    H    MET  18           H        MET  18  -8.348 -10.797  14.939
  114    HA   MET  18           HA       MET  18  -6.220  -9.615  16.678
  115   1HB   MET  18          1HB       MET  18  -6.742 -11.963  17.468
  116   2HB   MET  18          2HB       MET  18  -5.122 -11.817  16.846
  117   1HG   MET  18          1HG       MET  18  -6.519 -12.563  14.573
  118   2HG   MET  18          2HG       MET  18  -7.361 -13.417  15.821
  119   1HE   MET  18          1HE       MET  18  -6.824 -15.520  16.668
  120   2HE   MET  18          2HE       MET  18  -5.695 -14.750  17.801
  121   3HE   MET  18          3HE       MET  18  -5.222 -16.185  16.901
  122    H    CYS  19           H        CYS  19  -4.538 -11.664  14.756
  123    HA   CYS  19           HA       CYS  19  -5.008 -10.191  12.224
  124   1HB   CYS  19          1HB       CYS  19  -2.200 -10.018  12.978
  125   2HB   CYS  19          2HB       CYS  19  -3.281  -9.138  14.024
  126    H    SER  20           H        SER  20  -4.833 -11.256  10.598
  127    HA   SER  20           HA       SER  20  -3.354 -13.791  10.456
  128   1HB   SER  20          1HB       SER  20  -4.654 -13.691   8.063
  129   2HB   SER  20          2HB       SER  20  -5.657 -12.523   8.930
  130    HG   SER  20           HG       SER  20  -5.320 -14.418  10.646
  131    H    ARG  21           H        ARG  21  -1.512 -12.425  10.669
  132    HA   ARG  21           HA       ARG  21   0.527 -11.739   9.858
  133   1HB   ARG  21          1HB       ARG  21  -0.334 -13.188   7.771
  134   2HB   ARG  21          2HB       ARG  21   1.130 -12.253   7.689
  135   1HG   ARG  21          1HG       ARG  21  -1.243 -10.665   6.831
  136   2HG   ARG  21          2HG       ARG  21  -1.027 -12.117   5.892
  137   1HD   ARG  21          1HD       ARG  21   1.500 -10.590   6.330
  138   2HD   ARG  21          2HD       ARG  21   0.276  -9.707   5.438
  139    HE   ARG  21           HE       ARG  21   1.756 -12.018   4.494
  140   1HH1  ARG  21          1HH1      ARG  21  -0.088 -12.275   1.632
  141   2HH1  ARG  21          2HH1      ARG  21   1.350 -12.752   2.472
  142   1HH2  ARG  21          1HH2      ARG  21  -1.230 -10.283   4.264
  143   2HH2  ARG  21          2HH2      ARG  21  -1.574 -10.849   2.665
  144    H    GLY  22           H        GLY  22  -2.172  -9.862   9.794
  145   1HA   GLY  22          1HA       GLY  22  -0.770  -7.516   8.559
  146   2HA   GLY  22          2HA       GLY  22  -1.291  -7.409  10.232
  147    H    LYS  23           H        LYS  23  -3.643  -9.114   9.402
  148    HA   LYS  23           HA       LYS  23  -5.432  -6.900   8.572
  149   1HB   LYS  23          1HB       LYS  23  -6.601  -8.727   7.073
  150   2HB   LYS  23          2HB       LYS  23  -5.095  -9.606   7.221
  151   1HG   LYS  23          1HG       LYS  23  -3.879  -7.603   6.300
  152   2HG   LYS  23          2HG       LYS  23  -5.422  -6.808   6.074
  153   1HD   LYS  23          1HD       LYS  23  -5.180  -7.749   3.952
  154   2HD   LYS  23          2HD       LYS  23  -6.009  -9.074   4.737
  155   1HE   LYS  23          1HE       LYS  23  -4.185 -10.187   3.764
  156   2HE   LYS  23          2HE       LYS  23  -3.551  -9.881   5.373
  157   1HZ   LYS  23          1HZ       LYS  23  -1.968  -8.626   4.529
  158   2HZ   LYS  23          2HZ       LYS  23  -3.077  -7.661   3.676
  159   3HZ   LYS  23          3HZ       LYS  23  -2.475  -9.085   2.974
  160    H    CYS  24           H        CYS  24  -7.224  -6.973   9.931
  161    HA   CYS  24           HA       CYS  24  -7.235  -8.891  12.033
  162   1HB   CYS  24          1HB       CYS  24  -9.418  -7.886  12.654
  163   2HB   CYS  24          2HB       CYS  24  -9.481  -7.066  11.139
  164    H    VAL  25           H        VAL  25  -8.415 -10.513  12.550
  165    HA   VAL  25           HA       VAL  25 -10.472 -11.621  10.795
  166    HB   VAL  25           HB       VAL  25  -9.224 -13.854  11.052
  167   1HG1  VAL  25          1HG1      VAL  25  -9.485 -12.624   8.856
  168   2HG1  VAL  25          2HG1      VAL  25  -8.015 -13.574   8.928
  169   3HG1  VAL  25          3HG1      VAL  25  -7.944 -11.836   9.153
  170   1HG2  VAL  25          1HG2      VAL  25  -7.015 -13.976  11.648
  171   2HG2  VAL  25          2HG2      VAL  25  -7.442 -12.579  12.602
  172   3HG2  VAL  25          3HG2      VAL  25  -6.630 -12.361  11.067
  173    H    SER  26           H        SER  26 -11.774 -12.935  11.914
  174    HA   SER  26           HA       SER  26 -12.041 -12.519  14.712
  175   1HB   SER  26          1HB       SER  26 -13.662 -13.543  12.638
  176   2HB   SER  26          2HB       SER  26 -14.118 -13.353  14.329
  177    HG   SER  26           HG       SER  26 -12.865 -15.620  13.177
  178    H    ILE  27           H        ILE  27 -11.141 -13.417  16.283
  179    HA   ILE  27           HA       ILE  27  -9.039 -15.320  16.232
  180    HB   ILE  27           HB       ILE  27  -9.325 -15.361  18.680
  181   1HG1  ILE  27          1HG1      ILE  27 -11.978 -14.162  18.016
  182   2HG1  ILE  27          2HG1      ILE  27 -11.163 -13.438  19.380
  183   1HG2  ILE  27          1HG2      ILE  27  -7.944 -13.602  18.029
  184   2HG2  ILE  27          2HG2      ILE  27  -9.148 -12.739  18.959
  185   3HG2  ILE  27          3HG2      ILE  27  -9.225 -12.724  17.206
  186   1HD1  ILE  27          1HD1      ILE  27 -12.587 -15.376  20.012
  187   2HD1  ILE  27          2HD1      ILE  27 -10.891 -15.585  20.450
  188   3HD1  ILE  27          3HD1      ILE  27 -11.551 -16.427  19.063
  189    H    TYR  28           H        TYR  28 -12.392 -15.555  16.661
  190    HA   TYR  28           HA       TYR  28 -12.740 -18.179  17.659
  191   1HB   TYR  28          1HB       TYR  28 -15.022 -17.987  16.933
  192   2HB   TYR  28          2HB       TYR  28 -14.620 -16.897  15.623
  193    HD1  TYR  28           HD1      TYR  28 -14.150 -14.534  16.071
  194    HD2  TYR  28           HD2      TYR  28 -15.153 -17.151  19.269
  195    HE1  TYR  28           HE1      TYR  28 -14.539 -12.604  17.514
  196    HE2  TYR  28           HE2      TYR  28 -15.543 -15.216  20.720
  197    HH   TYR  28           HH       TYR  28 -16.211 -12.690  20.281
  198    H    GLY  29           H        GLY  29 -12.877 -17.110  14.270
  199   1HA   GLY  29          1HA       GLY  29 -12.593 -18.261  12.279
  200   2HA   GLY  29          2HA       GLY  29 -12.882 -19.748  13.176
  201    H    GLU  30           H        GLU  30 -10.426 -17.256  13.525
  202    HA   GLU  30           HA       GLU  30  -8.259 -19.087  12.689
  203   1HB   GLU  30          1HB       GLU  30  -7.969 -16.123  13.417
  204   2HB   GLU  30          2HB       GLU  30  -8.619 -16.603  11.874
  205   1HG   GLU  30          1HG       GLU  30  -6.499 -16.774  11.102
  206   2HG   GLU  30          2HG       GLU  30  -6.293 -18.197  12.103
  Start of MODEL    4
    1   1H    SER   1          1H        SER   1 -13.200   3.604  15.157
    2   2H    SER   1          2H        SER   1 -13.686   4.599  16.446
    3   3H    SER   1          3H        SER   1 -14.164   2.970  16.402
    4    HA   SER   1           HA       SER   1 -11.368   3.907  16.626
    5   1HB   SER   1          1HB       SER   1 -12.935   2.516  18.846
    6   2HB   SER   1          2HB       SER   1 -12.990   4.277  18.681
    7    HG   SER   1           HG       SER   1 -11.192   3.200  19.938
    8    H    CYS   2           H        CYS   2 -10.104   2.093  17.583
    9    HA   CYS   2           HA       CYS   2  -9.023   0.075  17.279
   10   1HB   CYS   2          1HB       CYS   2 -11.025  -0.549  18.676
   11   2HB   CYS   2          2HB       CYS   2 -10.287  -1.850  17.794
   12    H    SER   3           H        SER   3  -8.643  -1.786  15.984
   13    HA   SER   3           HA       SER   3  -9.052  -1.241  13.115
   14   1HB   SER   3          1HB       SER   3  -7.003  -2.457  14.918
   15   2HB   SER   3          2HB       SER   3  -6.769  -1.589  13.412
   16    HG   SER   3           HG       SER   3  -6.183  -3.666  13.126
   17    H    GLY   4           H        GLY   4 -11.060  -2.015  12.593
   18   1HA   GLY   4          1HA       GLY   4 -12.869  -3.482  12.388
   19   2HA   GLY   4          2HA       GLY   4 -12.125  -4.484  13.602
   20    H    ARG   5           H        ARG   5 -13.220  -5.844  11.546
   21    HA   ARG   5           HA       ARG   5 -11.349  -7.580  10.626
   22   1HB   ARG   5          1HB       ARG   5 -13.035  -7.842   8.579
   23   2HB   ARG   5          2HB       ARG   5 -14.006  -6.717   9.513
   24   1HG   ARG   5          1HG       ARG   5 -14.151  -8.221  11.375
   25   2HG   ARG   5          2HG       ARG   5 -12.773  -9.156  10.832
   26   1HD   ARG   5          1HD       ARG   5 -14.970  -9.143   8.860
   27   2HD   ARG   5          2HD       ARG   5 -15.399  -9.875  10.399
   28    HE   ARG   5           HE       ARG   5 -13.501 -10.934   8.464
   29   1HH1  ARG   5          1HH1      ARG   5 -12.510 -13.458  10.550
   30   2HH1  ARG   5          2HH1      ARG   5 -12.499 -12.837   8.932
   31   1HH2  ARG   5          1HH2      ARG   5 -14.349 -10.778  11.814
   32   2HH2  ARG   5          2HH2      ARG   5 -13.582 -12.277  12.206
   33    H    ASP   6           H        ASP   6  -9.780  -7.642   9.515
   34    HA   ASP   6           HA       ASP   6  -8.309  -7.579   7.751
   35   1HB   ASP   6          1HB       ASP   6  -9.699  -5.330   6.313
   36   2HB   ASP   6          2HB       ASP   6 -10.523  -6.878   6.409
   37    H    SER   7           H        SER   7  -8.835  -5.097   9.834
   38    HA   SER   7           HA       SER   7  -6.935  -3.175   8.697
   39   1HB   SER   7          1HB       SER   7  -7.246  -2.129  11.089
   40   2HB   SER   7          2HB       SER   7  -8.422  -3.429  11.333
   41    HG   SER   7           HG       SER   7  -8.381  -1.576   9.202
   42    H    ARG   8           H        ARG   8  -4.886  -2.665   9.564
   43    HA   ARG   8           HA       ARG   8  -3.130  -4.785   9.980
   44   1HB   ARG   8          1HB       ARG   8  -2.486  -2.483   9.267
   45   2HB   ARG   8          2HB       ARG   8  -1.454  -3.078  10.543
   46   1HG   ARG   8          1HG       ARG   8  -3.866  -1.529  11.451
   47   2HG   ARG   8          2HG       ARG   8  -2.680  -0.612  10.556
   48   1HD   ARG   8          1HD       ARG   8  -1.716  -2.421  12.787
   49   2HD   ARG   8          2HD       ARG   8  -2.410  -0.853  13.184
   50    HE   ARG   8           HE       ARG   8  -0.601  -0.261  11.184
   51   1HH1  ARG   8          1HH1      ARG   8   1.211  -1.505  14.497
   52   2HH1  ARG   8          2HH1      ARG   8  -0.442  -1.936  14.218
   53   1HH2  ARG   8          1HH2      ARG   8   1.488   0.291  11.517
   54   2HH2  ARG   8          2HH2      ARG   8   2.323  -0.225  12.943
   55    H    CYS   9           H        CYS   9  -2.451  -5.955  11.656
   56    HA   CYS   9           HA       CYS   9  -2.663  -5.117  14.404
   57   1HB   CYS   9          1HB       CYS   9  -4.821  -5.804  14.332
   58   2HB   CYS   9          2HB       CYS   9  -4.074  -7.326  14.730
   59    HA   HYP  10           HA       HYP  10  -3.062  -6.486  16.277
   60   1HB   HYP  10          1HB       HYP  10  -3.455  -8.579  17.057
   61   2HB   HYP  10          2HB       HYP  10  -2.201  -8.211  18.236
   62   1HD   HYP  10          1HD1      HYP  10  -0.694  -9.323  14.528
   63   2HD   HYP  10          2HD1      HYP  10   0.321  -8.375  15.643
   64    HOD  HYP  10           HD2      HYP  10  -3.042  -9.983  15.721
   65    HG   HYP  10           HG       HYP  10  -0.718  -9.771  17.293
   66    HA   HYP  11           HA       HYP  11  -3.202  -6.738  18.928
   67   1HB   HYP  11          1HB       HYP  11  -2.035  -7.013  20.957
   68   2HB   HYP  11          2HB       HYP  11  -2.803  -5.492  21.363
   69   1HD   HYP  11          1HD1      HYP  11   0.595  -5.170  18.933
   70   2HD   HYP  11          2HD1      HYP  11  -0.570  -3.836  19.020
   71    HOD  HYP  11           HD2      HYP  11   1.013  -5.898  21.211
   72    HG   HYP  11           HG       HYP  11  -0.674  -4.483  21.353
   73    H    VAL  12           H        VAL  12  -3.240  -4.888  17.054
   74    HA   VAL  12           HA       VAL  12  -4.394  -2.402  18.098
   75    HB   VAL  12           HB       VAL  12  -4.184  -3.182  15.193
   76   1HG1  VAL  12          1HG1      VAL  12  -4.137  -0.732  14.829
   77   2HG1  VAL  12          2HG1      VAL  12  -4.124  -0.445  16.562
   78   3HG1  VAL  12          3HG1      VAL  12  -5.543  -1.120  15.793
   79   1HG2  VAL  12          1HG2      VAL  12  -1.981  -1.801  15.319
   80   2HG2  VAL  12          2HG2      VAL  12  -1.917  -3.426  15.978
   81   3HG2  VAL  12          3HG2      VAL  12  -2.055  -2.045  17.056
   82    H    CYS  13           H        CYS  13  -5.488  -5.272  16.419
   83    HA   CYS  13           HA       CYS  13  -7.950  -4.387  15.542
   84   1HB   CYS  13          1HB       CYS  13  -8.709  -6.736  15.792
   85   2HB   CYS  13          2HB       CYS  13  -7.221  -7.083  16.624
   86    H    CYS  14           H        CYS  14  -9.947  -4.850  16.062
   87    HA   CYS  14           HA       CYS  14 -10.883  -3.800  18.527
   88   1HB   CYS  14          1HB       CYS  14 -13.139  -4.378  17.511
   89   2HB   CYS  14          2HB       CYS  14 -12.288  -5.326  16.353
   90    H    MET  15           H        MET  15 -12.536  -4.945  19.882
   91    HA   MET  15           HA       MET  15 -11.381  -7.275  21.061
   92   1HB   MET  15          1HB       MET  15 -14.172  -6.105  21.493
   93   2HB   MET  15          2HB       MET  15 -12.722  -5.526  22.286
   94   1HG   MET  15          1HG       MET  15 -12.491  -8.133  22.918
   95   2HG   MET  15          2HG       MET  15 -14.219  -8.069  22.718
   96   1HE   MET  15          1HE       MET  15 -15.570  -6.222  25.639
   97   2HE   MET  15          2HE       MET  15 -15.812  -7.551  24.519
   98   3HE   MET  15          3HE       MET  15 -15.561  -5.895  23.917
   99    H    GLY  16           H        GLY  16 -11.362  -9.115  19.946
  100   1HA   GLY  16          1HA       GLY  16 -13.881 -10.122  18.668
  101   2HA   GLY  16          2HA       GLY  16 -12.765 -11.151  19.564
  102    H    LEU  17           H        LEU  17 -11.077  -8.798  17.920
  103    HA   LEU  17           HA       LEU  17 -10.530 -10.514  15.562
  104   1HB   LEU  17          1HB       LEU  17  -9.706  -8.193  14.691
  105   2HB   LEU  17          2HB       LEU  17 -10.641  -7.541  16.003
  106    HG   LEU  17           HG       LEU  17 -12.647  -8.852  15.104
  107   1HD1  LEU  17          1HD1      LEU  17 -12.887  -7.085  13.169
  108   2HD1  LEU  17          2HD1      LEU  17 -11.326  -6.502  13.724
  109   3HD1  LEU  17          3HD1      LEU  17 -12.716  -6.489  14.799
  110   1HD2  LEU  17          1HD2      LEU  17 -10.771  -9.951  13.414
  111   2HD2  LEU  17          2HD2      LEU  17 -11.429  -8.704  12.395
  112   3HD2  LEU  17          3HD2      LEU  17 -12.497  -9.926  13.067
  113    H    MET  18           H        MET  18  -8.452 -10.930  15.047
  114    HA   MET  18           HA       MET  18  -6.225  -9.882  16.754
  115   1HB   MET  18          1HB       MET  18  -6.826 -12.224  17.483
  116   2HB   MET  18          2HB       MET  18  -5.234 -12.166  16.766
  117   1HG   MET  18          1HG       MET  18  -6.957 -12.677  14.607
  118   2HG   MET  18          2HG       MET  18  -7.594 -13.622  15.914
  119   1HE   MET  18          1HE       MET  18  -5.244 -16.387  16.535
  120   2HE   MET  18          2HE       MET  18  -6.715 -15.534  16.934
  121   3HE   MET  18          3HE       MET  18  -5.150 -14.920  17.509
  122    H    CYS  19           H        CYS  19  -4.754 -11.973  14.682
  123    HA   CYS  19           HA       CYS  19  -5.174 -10.389  12.225
  124   1HB   CYS  19          1HB       CYS  19  -2.348 -10.335  12.988
  125   2HB   CYS  19          2HB       CYS  19  -3.412  -9.412  14.013
  126    H    SER  20           H        SER  20  -5.087 -11.460  10.571
  127    HA   SER  20           HA       SER  20  -3.712 -14.043  10.387
  128   1HB   SER  20          1HB       SER  20  -4.952 -13.827   7.967
  129   2HB   SER  20          2HB       SER  20  -5.907 -12.618   8.838
  130    HG   SER  20           HG       SER  20  -6.643 -14.825   9.048
  131    H    ARG  21           H        ARG  21  -1.811 -12.731  10.692
  132    HA   ARG  21           HA       ARG  21   0.266 -12.095  10.001
  133   1HB   ARG  21          1HB       ARG  21  -0.530 -13.667   7.984
  134   2HB   ARG  21          2HB       ARG  21   0.978 -12.803   7.926
  135   1HG   ARG  21          1HG       ARG  21   0.372 -11.492   6.194
  136   2HG   ARG  21          2HG       ARG  21  -1.242 -11.200   6.789
  137   1HD   ARG  21          1HD       ARG  21  -2.090 -12.712   5.308
  138   2HD   ARG  21          2HD       ARG  21  -1.115 -13.990   6.003
  139    HE   ARG  21           HE       ARG  21   0.402 -13.766   4.246
  140   1HH1  ARG  21          1HH1      ARG  21   0.483 -11.496   1.702
  141   2HH1  ARG  21          2HH1      ARG  21   1.118 -12.975   2.340
  142   1HH2  ARG  21          1HH2      ARG  21  -1.691 -11.020   4.397
  143   2HH2  ARG  21          2HH2      ARG  21  -1.144 -10.367   2.887
  144    H    GLY  22           H        GLY  22  -2.309 -10.152   9.851
  145   1HA   GLY  22          1HA       GLY  22  -0.918  -7.923   8.412
  146   2HA   GLY  22          2HA       GLY  22  -1.301  -7.713  10.109
  147    H    LYS  23           H        LYS  23  -3.806  -9.410   9.348
  148    HA   LYS  23           HA       LYS  23  -5.506  -7.064   8.682
  149   1HB   LYS  23          1HB       LYS  23  -6.823  -8.757   7.156
  150   2HB   LYS  23          2HB       LYS  23  -5.364  -9.720   7.203
  151   1HG   LYS  23          1HG       LYS  23  -4.070  -7.754   6.318
  152   2HG   LYS  23          2HG       LYS  23  -5.558  -6.842   6.219
  153   1HD   LYS  23          1HD       LYS  23  -5.599  -7.646   4.061
  154   2HD   LYS  23          2HD       LYS  23  -6.311  -9.064   4.802
  155   1HE   LYS  23          1HE       LYS  23  -4.093 -10.136   4.961
  156   2HE   LYS  23          2HE       LYS  23  -3.322  -8.692   4.317
  157   1HZ   LYS  23          1HZ       LYS  23  -3.583 -10.227   2.570
  158   2HZ   LYS  23          2HZ       LYS  23  -4.703  -8.978   2.308
  159   3HZ   LYS  23          3HZ       LYS  23  -5.227 -10.471   2.924
  160    H    CYS  24           H        CYS  24  -7.215  -7.050  10.103
  161    HA   CYS  24           HA       CYS  24  -7.333  -9.014  12.143
  162   1HB   CYS  24          1HB       CYS  24  -9.426  -7.925  12.838
  163   2HB   CYS  24          2HB       CYS  24  -9.523  -7.091  11.330
  164    H    VAL  25           H        VAL  25  -8.539 -10.578  12.633
  165    HA   VAL  25           HA       VAL  25 -10.717 -11.566  10.967
  166    HB   VAL  25           HB       VAL  25  -9.514 -13.859  11.155
  167   1HG1  VAL  25          1HG1      VAL  25  -8.364 -13.513   8.934
  168   2HG1  VAL  25          2HG1      VAL  25  -8.521 -11.786   9.140
  169   3HG1  VAL  25          3HG1      VAL  25  -9.957 -12.784   8.967
  170   1HG2  VAL  25          1HG2      VAL  25  -7.202 -13.966  11.511
  171   2HG2  VAL  25          2HG2      VAL  25  -7.582 -12.604  12.528
  172   3HG2  VAL  25          3HG2      VAL  25  -6.927 -12.333  10.929
  173    H    SER  26           H        SER  26 -12.002 -12.857  12.136
  174    HA   SER  26           HA       SER  26 -12.255 -12.472  14.895
  175   1HB   SER  26          1HB       SER  26 -13.343 -14.748  13.201
  176   2HB   SER  26          2HB       SER  26 -14.175 -13.246  13.673
  177    HG   SER  26           HG       SER  26 -13.476 -13.949  15.865
  178    H    ILE  27           H        ILE  27 -11.538 -13.382  16.610
  179    HA   ILE  27           HA       ILE  27  -9.166 -14.921  16.694
  180    HB   ILE  27           HB       ILE  27 -10.162 -15.519  19.143
  181   1HG1  ILE  27          1HG1      ILE  27 -11.597 -12.924  18.581
  182   2HG1  ILE  27          2HG1      ILE  27 -11.538 -13.800  20.082
  183   1HG2  ILE  27          1HG2      ILE  27  -8.160 -14.137  18.679
  184   2HG2  ILE  27          2HG2      ILE  27  -9.146 -13.389  19.929
  185   3HG2  ILE  27          3HG2      ILE  27  -9.199 -12.770  18.286
  186   1HD1  ILE  27          1HD1      ILE  27 -13.040 -14.542  17.596
  187   2HD1  ILE  27          2HD1      ILE  27 -13.609 -14.388  19.247
  188   3HD1  ILE  27          3HD1      ILE  27 -12.599 -15.754  18.794
  189    H    TYR  28           H        TYR  28 -12.394 -15.887  16.279
  190    HA   TYR  28           HA       TYR  28 -11.971 -18.706  17.014
  191   1HB   TYR  28          1HB       TYR  28 -14.320 -18.980  16.247
  192   2HB   TYR  28          2HB       TYR  28 -14.331 -17.338  15.638
  193    HD1  TYR  28           HD1      TYR  28 -15.689 -16.017  16.993
  194    HD2  TYR  28           HD2      TYR  28 -13.129 -18.855  18.882
  195    HE1  TYR  28           HE1      TYR  28 -16.387 -15.195  19.186
  196    HE2  TYR  28           HE2      TYR  28 -13.828 -18.028  21.070
  197    HH   TYR  28           HH       TYR  28 -15.016 -15.328  21.724
  198    H    GLY  29           H        GLY  29 -12.659 -16.813  14.137
  199   1HA   GLY  29          1HA       GLY  29 -12.115 -17.127  11.881
  200   2HA   GLY  29          2HA       GLY  29 -12.548 -18.812  12.170
  201    H    GLU  30           H        GLU  30  -9.984 -16.750  13.375
  202    HA   GLU  30           HA       GLU  30  -7.904 -18.738  12.705
  203   1HB   GLU  30          1HB       GLU  30  -6.512 -16.620  12.116
  204   2HB   GLU  30          2HB       GLU  30  -8.046 -15.799  12.006
  205   1HG   GLU  30          1HG       GLU  30  -8.098 -18.341  10.490
  206   2HG   GLU  30          2HG       GLU  30  -6.810 -17.288   9.948
  Start of MODEL    5
    1   1H    SER   1          1H        SER   1 -12.396   5.054  18.530
    2   2H    SER   1          2H        SER   1 -10.911   4.440  19.083
    3   3H    SER   1          3H        SER   1 -12.321   3.506  19.228
    4    HA   SER   1           HA       SER   1 -12.509   3.372  16.832
    5   1HB   SER   1          1HB       SER   1 -11.350   5.469  16.187
    6   2HB   SER   1          2HB       SER   1 -10.426   4.125  15.499
    7    HG   SER   1           HG       SER   1  -8.913   5.152  16.605
    8    H    CYS   2           H        CYS   2 -11.619   1.591  15.812
    9    HA   CYS   2           HA       CYS   2  -9.268   0.217  16.938
   10   1HB   CYS   2          1HB       CYS   2 -11.164  -0.469  18.397
   11   2HB   CYS   2          2HB       CYS   2 -10.468  -1.795  17.510
   12    H    SER   3           H        SER   3  -8.711  -1.697  15.742
   13    HA   SER   3           HA       SER   3  -9.130  -1.330  12.869
   14   1HB   SER   3          1HB       SER   3  -7.191  -2.717  14.715
   15   2HB   SER   3          2HB       SER   3  -6.856  -1.652  13.361
   16    HG   SER   3           HG       SER   3  -6.328  -3.676  12.773
   17    H    GLY   4           H        GLY   4 -11.214  -2.045  12.463
   18   1HA   GLY   4          1HA       GLY   4 -13.005  -3.524  12.224
   19   2HA   GLY   4          2HA       GLY   4 -12.276  -4.509  13.469
   20    H    ARG   5           H        ARG   5 -13.279  -5.985  11.433
   21    HA   ARG   5           HA       ARG   5 -11.333  -7.621  10.576
   22   1HB   ARG   5          1HB       ARG   5 -13.090  -7.661   8.414
   23   2HB   ARG   5          2HB       ARG   5 -14.050  -6.929   9.674
   24   1HG   ARG   5          1HG       ARG   5 -13.966  -8.806  11.063
   25   2HG   ARG   5          2HG       ARG   5 -12.455  -9.396  10.376
   26   1HD   ARG   5          1HD       ARG   5 -15.022  -9.280   8.810
   27   2HD   ARG   5          2HD       ARG   5 -14.452 -10.708   9.692
   28    HE   ARG   5           HE       ARG   5 -12.487  -9.505   7.852
   29   1HH1  ARG   5          1HH1      ARG   5 -12.487 -12.120   5.747
   30   2HH1  ARG   5          2HH1      ARG   5 -11.763 -10.621   6.255
   31   1HH2  ARG   5          1HH2      ARG   5 -14.963 -11.905   8.244
   32   2HH2  ARG   5          2HH2      ARG   5 -14.378 -12.857   6.921
   33    H    ASP   6           H        ASP   6  -9.799  -7.771   9.356
   34    HA   ASP   6           HA       ASP   6  -8.346  -7.664   7.588
   35   1HB   ASP   6          1HB       ASP   6  -8.931  -6.698   5.526
   36   2HB   ASP   6          2HB       ASP   6  -9.900  -5.443   6.276
   37    H    SER   7           H        SER   7  -8.940  -5.102   9.614
   38    HA   SER   7           HA       SER   7  -7.004  -3.222   8.464
   39   1HB   SER   7          1HB       SER   7  -7.411  -2.073  10.809
   40   2HB   SER   7          2HB       SER   7  -8.627  -3.334  11.025
   41    HG   SER   7           HG       SER   7  -9.823  -2.217   9.773
   42    H    ARG   8           H        ARG   8  -5.017  -2.632   9.373
   43    HA   ARG   8           HA       ARG   8  -3.161  -4.600   9.909
   44   1HB   ARG   8          1HB       ARG   8  -1.722  -2.713  10.875
   45   2HB   ARG   8          2HB       ARG   8  -3.135  -1.686  10.808
   46   1HG   ARG   8          1HG       ARG   8  -1.895  -1.218   8.817
   47   2HG   ARG   8          2HG       ARG   8  -3.270  -2.171   8.302
   48   1HD   ARG   8          1HD       ARG   8  -0.894  -3.811   9.035
   49   2HD   ARG   8          2HD       ARG   8  -0.603  -2.738   7.678
   50    HE   ARG   8           HE       ARG   8  -2.488  -4.987   7.775
   51   1HH1  ARG   8          1HH1      ARG   8  -3.315  -4.654   4.506
   52   2HH1  ARG   8          2HH1      ARG   8  -3.403  -5.617   5.946
   53   1HH2  ARG   8          1HH2      ARG   8  -1.445  -2.139   6.078
   54   2HH2  ARG   8          2HH2      ARG   8  -2.179  -2.642   4.594
   55    H    CYS   9           H        CYS   9  -2.574  -5.830  11.601
   56    HA   CYS   9           HA       CYS   9  -2.863  -4.998  14.340
   57   1HB   CYS   9          1HB       CYS   9  -5.040  -5.735  14.199
   58   2HB   CYS   9          2HB       CYS   9  -4.237  -7.200  14.685
   59    HA   HYP  10           HA       HYP  10  -3.242  -6.313  16.219
   60   1HB   HYP  10          1HB       HYP  10  -3.587  -8.383  17.076
   61   2HB   HYP  10          2HB       HYP  10  -2.342  -7.944  18.239
   62   1HD   HYP  10          1HD1      HYP  10  -0.870  -9.186  14.564
   63   2HD   HYP  10          2HD1      HYP  10   0.173  -8.185  15.604
   64    HOD  HYP  10           HD2      HYP  10  -3.158  -9.870  15.855
   65    HG   HYP  10           HG       HYP  10  -0.808  -9.484  17.353
   66    HA   HYP  11           HA       HYP  11  -3.350  -6.472  18.893
   67   1HB   HYP  11          1HB       HYP  11  -2.169  -6.638  20.920
   68   2HB   HYP  11          2HB       HYP  11  -2.955  -5.110  21.268
   69   1HD   HYP  11          1HD1      HYP  11   0.410  -4.821  18.789
   70   2HD   HYP  11          2HD1      HYP  11  -0.782  -3.512  18.846
   71    HOD  HYP  11           HD2      HYP  11  -0.058  -6.104  21.805
   72    HG   HYP  11           HG       HYP  11  -0.838  -4.079  21.199
   73    H    VAL  12           H        VAL  12  -3.424  -4.688  16.953
   74    HA   VAL  12           HA       VAL  12  -4.679  -2.209  17.891
   75    HB   VAL  12           HB       VAL  12  -4.400  -3.113  15.034
   76   1HG1  VAL  12          1HG1      VAL  12  -4.441  -0.700  14.527
   77   2HG1  VAL  12          2HG1      VAL  12  -4.450  -0.300  16.235
   78   3HG1  VAL  12          3HG1      VAL  12  -5.841  -1.075  15.506
   79   1HG2  VAL  12          1HG2      VAL  12  -2.136  -3.238  15.898
   80   2HG2  VAL  12          2HG2      VAL  12  -2.339  -1.766  16.836
   81   3HG2  VAL  12          3HG2      VAL  12  -2.236  -1.687  15.085
   82    H    CYS  13           H        CYS  13  -5.606  -5.197  16.362
   83    HA   CYS  13           HA       CYS  13  -8.072  -4.609  15.330
   84   1HB   CYS  13          1HB       CYS  13  -8.704  -6.956  16.012
   85   2HB   CYS  13          2HB       CYS  13  -7.154  -7.055  16.769
   86    H    CYS  14           H        CYS  14 -10.129  -4.930  15.860
   87    HA   CYS  14           HA       CYS  14 -11.029  -3.719  18.289
   88   1HB   CYS  14          1HB       CYS  14 -13.309  -4.250  17.350
   89   2HB   CYS  14          2HB       CYS  14 -12.565  -5.256  16.173
   90    H    MET  15           H        MET  15 -12.756  -4.822  19.661
   91    HA   MET  15           HA       MET  15 -11.616  -7.097  20.921
   92   1HB   MET  15          1HB       MET  15 -14.541  -6.551  21.382
   93   2HB   MET  15          2HB       MET  15 -13.458  -5.207  21.670
   94   1HG   MET  15          1HG       MET  15 -12.103  -6.585  23.187
   95   2HG   MET  15          2HG       MET  15 -13.113  -7.966  22.863
   96   1HE   MET  15          1HE       MET  15 -13.965  -4.433  25.598
   97   2HE   MET  15          2HE       MET  15 -13.486  -4.215  23.927
   98   3HE   MET  15          3HE       MET  15 -12.387  -5.005  25.084
   99    H    GLY  16           H        GLY  16 -11.529  -9.049  20.034
  100   1HA   GLY  16          1HA       GLY  16 -13.930 -10.151  18.626
  101   2HA   GLY  16          2HA       GLY  16 -12.815 -11.107  19.595
  102    H    LEU  17           H        LEU  17 -11.134  -8.767  17.872
  103    HA   LEU  17           HA       LEU  17 -10.559 -10.583  15.588
  104   1HB   LEU  17          1HB       LEU  17  -9.648  -8.319  14.666
  105   2HB   LEU  17          2HB       LEU  17 -10.552  -7.621  15.977
  106    HG   LEU  17           HG       LEU  17 -12.638  -8.750  15.117
  107   1HD1  LEU  17          1HD1      LEU  17 -11.333  -6.858  13.120
  108   2HD1  LEU  17          2HD1      LEU  17 -11.776  -6.293  14.700
  109   3HD1  LEU  17          3HD1      LEU  17 -13.020  -6.876  13.604
  110   1HD2  LEU  17          1HD2      LEU  17 -11.965  -8.885  12.376
  111   2HD2  LEU  17          2HD2      LEU  17 -12.397 -10.232  13.410
  112   3HD2  LEU  17          3HD2      LEU  17 -10.711  -9.777  13.197
  113    H    MET  18           H        MET  18  -8.498 -11.010  15.054
  114    HA   MET  18           HA       MET  18  -6.224 -10.074  16.762
  115   1HB   MET  18          1HB       MET  18  -6.986 -12.489  17.335
  116   2HB   MET  18          2HB       MET  18  -5.322 -12.353  16.822
  117   1HG   MET  18          1HG       MET  18  -7.085 -12.767  14.546
  118   2HG   MET  18          2HG       MET  18  -7.295 -14.009  15.736
  119   1HE   MET  18          1HE       MET  18  -4.060 -15.350  16.427
  120   2HE   MET  18          2HE       MET  18  -5.047 -16.437  15.430
  121   3HE   MET  18          3HE       MET  18  -5.803 -15.409  16.631
  122    H    CYS  19           H        CYS  19  -4.574 -11.886  14.815
  123    HA   CYS  19           HA       CYS  19  -5.156 -10.434  12.273
  124   1HB   CYS  19          1HB       CYS  19  -2.339 -10.267  13.024
  125   2HB   CYS  19          2HB       CYS  19  -3.427  -9.374  14.050
  126    H    SER  20           H        SER  20  -5.083 -11.543  10.651
  127    HA   SER  20           HA       SER  20  -3.699 -14.108  10.472
  128   1HB   SER  20          1HB       SER  20  -4.872 -13.864   8.021
  129   2HB   SER  20          2HB       SER  20  -5.840 -12.654   8.869
  130    HG   SER  20           HG       SER  20  -5.729 -14.560  10.554
  131    H    ARG  21           H        ARG  21  -1.753 -12.830  10.789
  132    HA   ARG  21           HA       ARG  21   0.355 -12.290  10.020
  133   1HB   ARG  21          1HB       ARG  21  -0.661 -13.585   7.836
  134   2HB   ARG  21          2HB       ARG  21   0.929 -12.869   7.871
  135   1HG   ARG  21          1HG       ARG  21   0.407 -11.195   6.400
  136   2HG   ARG  21          2HG       ARG  21  -1.217 -10.983   7.011
  137   1HD   ARG  21          1HD       ARG  21  -1.945 -13.056   5.829
  138   2HD   ARG  21          2HD       ARG  21  -0.313 -13.246   5.196
  139    HE   ARG  21           HE       ARG  21  -0.781 -11.584   3.625
  140   1HH1  ARG  21          1HH1      ARG  21  -3.351  -9.371   3.411
  141   2HH1  ARG  21          2HH1      ARG  21  -1.950 -10.031   2.636
  142   1HH2  ARG  21          1HH2      ARG  21  -3.055 -11.329   6.264
  143   2HH2  ARG  21          2HH2      ARG  21  -3.969 -10.105   5.466
  144    H    GLY  22           H        GLY  22  -2.328 -10.311   9.817
  145   1HA   GLY  22          1HA       GLY  22  -0.819  -7.984   8.727
  146   2HA   GLY  22          2HA       GLY  22  -1.311  -7.910  10.408
  147    H    LYS  23           H        LYS  23  -3.788  -9.497   9.483
  148    HA   LYS  23           HA       LYS  23  -5.415  -7.111   8.792
  149   1HB   LYS  23          1HB       LYS  23  -6.687  -8.719   7.163
  150   2HB   LYS  23          2HB       LYS  23  -5.261  -9.735   7.250
  151   1HG   LYS  23          1HG       LYS  23  -3.852  -7.984   6.381
  152   2HG   LYS  23          2HG       LYS  23  -5.128  -6.790   6.521
  153   1HD   LYS  23          1HD       LYS  23  -6.429  -7.840   4.767
  154   2HD   LYS  23          2HD       LYS  23  -5.353  -9.224   4.703
  155   1HE   LYS  23          1HE       LYS  23  -3.476  -7.516   4.117
  156   2HE   LYS  23          2HE       LYS  23  -4.775  -6.369   3.835
  157   1HZ   LYS  23          1HZ       LYS  23  -4.534  -9.013   2.525
  158   2HZ   LYS  23          2HZ       LYS  23  -4.089  -7.531   1.826
  159   3HZ   LYS  23          3HZ       LYS  23  -5.716  -7.837   2.210
  160    H    CYS  24           H        CYS  24  -7.186  -7.111  10.113
  161    HA   CYS  24           HA       CYS  24  -7.393  -9.104  12.110
  162   1HB   CYS  24          1HB       CYS  24  -9.514  -7.967  12.754
  163   2HB   CYS  24          2HB       CYS  24  -9.461  -7.051  11.282
  164    H    VAL  25           H        VAL  25  -8.615 -10.597  12.604
  165    HA   VAL  25           HA       VAL  25 -10.798 -11.626  10.967
  166    HB   VAL  25           HB       VAL  25  -9.560 -13.911  11.215
  167   1HG1  VAL  25          1HG1      VAL  25  -8.633 -13.721   8.956
  168   2HG1  VAL  25          2HG1      VAL  25  -8.467 -11.981   9.113
  169   3HG1  VAL  25          3HG1      VAL  25 -10.064 -12.708   9.015
  170   1HG2  VAL  25          1HG2      VAL  25  -7.220 -13.942  11.475
  171   2HG2  VAL  25          2HG2      VAL  25  -7.635 -12.616  12.524
  172   3HG2  VAL  25          3HG2      VAL  25  -7.021 -12.291  10.921
  173    H    SER  26           H        SER  26 -12.087 -12.910  12.216
  174    HA   SER  26           HA       SER  26 -12.200 -12.430  14.986
  175   1HB   SER  26          1HB       SER  26 -13.903 -13.632  13.072
  176   2HB   SER  26          2HB       SER  26 -14.272 -13.364  14.773
  177    HG   SER  26           HG       SER  26 -13.894 -15.393  15.202
  178    H    ILE  27           H        ILE  27 -11.570 -13.417  16.710
  179    HA   ILE  27           HA       ILE  27  -9.249 -14.964  16.852
  180    HB   ILE  27           HB       ILE  27 -10.346 -15.649  19.216
  181   1HG1  ILE  27          1HG1      ILE  27 -11.870 -13.089  18.680
  182   2HG1  ILE  27          2HG1      ILE  27 -11.881 -14.064  20.121
  183   1HG2  ILE  27          1HG2      ILE  27  -9.472 -12.835  18.474
  184   2HG2  ILE  27          2HG2      ILE  27  -8.394 -14.158  18.917
  185   3HG2  ILE  27          3HG2      ILE  27  -9.497 -13.479  20.108
  186   1HD1  ILE  27          1HD1      ILE  27 -13.861 -14.648  19.086
  187   2HD1  ILE  27          2HD1      ILE  27 -12.769 -15.954  18.646
  188   3HD1  ILE  27          3HD1      ILE  27 -13.162 -14.695  17.477
  189    H    TYR  28           H        TYR  28 -12.397 -15.970  16.171
  190    HA   TYR  28           HA       TYR  28 -12.012 -18.805  16.862
  191   1HB   TYR  28          1HB       TYR  28 -14.271 -19.104  15.911
  192   2HB   TYR  28          2HB       TYR  28 -14.267 -17.466  15.294
  193    HD1  TYR  28           HD1      TYR  28 -15.764 -16.175  16.515
  194    HD2  TYR  28           HD2      TYR  28 -13.311 -18.943  18.637
  195    HE1  TYR  28           HE1      TYR  28 -16.674 -15.364  18.634
  196    HE2  TYR  28           HE2      TYR  28 -14.220 -18.127  20.750
  197    HH   TYR  28           HH       TYR  28 -15.291 -16.077  21.626
  198    H    GLY  29           H        GLY  29 -12.605 -16.968  13.906
  199   1HA   GLY  29          1HA       GLY  29 -11.906 -17.280  11.702
  200   2HA   GLY  29          2HA       GLY  29 -12.244 -18.985  12.001
  201    H    GLU  30           H        GLU  30  -9.908 -16.800  13.417
  202    HA   GLU  30           HA       GLU  30  -7.682 -18.643  12.751
  203   1HB   GLU  30          1HB       GLU  30  -7.526 -15.613  12.620
  204   2HB   GLU  30          2HB       GLU  30  -7.869 -16.576  11.200
  205   1HG   GLU  30          1HG       GLU  30  -5.454 -17.239  12.907
  206   2HG   GLU  30          2HG       GLU  30  -5.369 -15.908  11.772
  Start of MODEL    6
    1   1H    SER   1          1H        SER   1 -13.160   2.664  19.487
    2   2H    SER   1          2H        SER   1 -12.933   4.331  19.238
    3   3H    SER   1          3H        SER   1 -11.677   3.389  19.887
    4    HA   SER   1           HA       SER   1 -12.812   2.963  17.191
    5   1HB   SER   1          1HB       SER   1 -10.712   4.106  16.357
    6   2HB   SER   1          2HB       SER   1 -10.319   4.543  18.030
    7    HG   SER   1           HG       SER   1 -12.484   5.450  18.111
    8    H    CYS   2           H        CYS   2 -11.909   1.292  16.145
    9    HA   CYS   2           HA       CYS   2  -9.463  -0.055  17.015
   10   1HB   CYS   2          1HB       CYS   2 -11.158  -0.937  18.621
   11   2HB   CYS   2          2HB       CYS   2 -10.502  -2.164  17.577
   12    H    SER   3           H        SER   3  -8.940  -1.872  15.632
   13    HA   SER   3           HA       SER   3  -9.801  -1.376  12.877
   14   1HB   SER   3          1HB       SER   3  -7.752  -3.285  12.858
   15   2HB   SER   3          2HB       SER   3  -7.403  -2.358  14.304
   16    HG   SER   3           HG       SER   3  -7.800  -1.418  11.692
   17    H    GLY   4           H        GLY   4 -11.565  -2.438  12.231
   18   1HA   GLY   4          1HA       GLY   4 -13.188  -4.127  12.085
   19   2HA   GLY   4          2HA       GLY   4 -12.338  -4.972  13.349
   20    H    ARG   5           H        ARG   5 -13.206  -6.508  11.341
   21    HA   ARG   5           HA       ARG   5 -11.137  -8.068  10.520
   22   1HB   ARG   5          1HB       ARG   5 -12.772  -8.638   8.491
   23   2HB   ARG   5          2HB       ARG   5 -13.856  -7.552   9.338
   24   1HG   ARG   5          1HG       ARG   5 -13.485  -8.934  11.441
   25   2HG   ARG   5          2HG       ARG   5 -12.518 -10.046  10.492
   26   1HD   ARG   5          1HD       ARG   5 -14.378 -10.775   9.211
   27   2HD   ARG   5          2HD       ARG   5 -15.371  -9.395   9.689
   28    HE   ARG   5           HE       ARG   5 -14.718 -10.711  12.072
   29   1HH1  ARG   5          1HH1      ARG   5 -17.391 -12.622   9.833
   30   2HH1  ARG   5          2HH1      ARG   5 -16.337 -11.461   9.103
   31   1HH2  ARG   5          1HH2      ARG   5 -16.044 -12.184  13.025
   32   2HH2  ARG   5          2HH2      ARG   5 -17.223 -13.038  12.088
   33    H    ASP   6           H        ASP   6  -9.600  -8.099   9.342
   34    HA   ASP   6           HA       ASP   6  -8.202  -7.996   7.500
   35   1HB   ASP   6          1HB       ASP   6  -9.668  -5.745   6.162
   36   2HB   ASP   6          2HB       ASP   6 -10.477  -7.301   6.245
   37    H    SER   7           H        SER   7  -8.711  -5.513   9.637
   38    HA   SER   7           HA       SER   7  -6.876  -3.582   8.413
   39   1HB   SER   7          1HB       SER   7  -6.970  -2.815  11.014
   40   2HB   SER   7          2HB       SER   7  -8.486  -3.718  10.923
   41    HG   SER   7           HG       SER   7  -9.155  -2.462   9.298
   42    H    ARG   8           H        ARG   8  -4.905  -2.832   9.360
   43    HA   ARG   8           HA       ARG   8  -2.963  -4.854   9.770
   44   1HB   ARG   8          1HB       ARG   8  -1.458  -2.887  10.380
   45   2HB   ARG   8          2HB       ARG   8  -2.876  -1.859  10.346
   46   1HG   ARG   8          1HG       ARG   8  -2.112  -1.557   8.172
   47   2HG   ARG   8          2HG       ARG   8  -3.221  -2.882   7.910
   48   1HD   ARG   8          1HD       ARG   8  -1.382  -4.515   7.908
   49   2HD   ARG   8          2HD       ARG   8  -0.249  -3.287   8.451
   50    HE   ARG   8           HE       ARG   8  -0.225  -2.325   6.302
   51   1HH1  ARG   8          1HH1      ARG   8  -2.805  -4.920   4.767
   52   2HH1  ARG   8          2HH1      ARG   8  -2.585  -4.922   6.475
   53   1HH2  ARG   8          1HH2      ARG   8  -0.503  -2.388   4.166
   54   2HH2  ARG   8          2HH2      ARG   8  -1.611  -3.501   3.438
   55    H    CYS   9           H        CYS   9  -2.294  -5.875  11.558
   56    HA   CYS   9           HA       CYS   9  -2.540  -4.751  14.209
   57   1HB   CYS   9          1HB       CYS   9  -4.702  -5.529  14.216
   58   2HB   CYS   9          2HB       CYS   9  -3.904  -6.996  14.713
   59    HA   HYP  10           HA       HYP  10  -2.999  -6.025  16.188
   60   1HB   HYP  10          1HB       HYP  10  -3.299  -8.060  17.134
   61   2HB   HYP  10          2HB       HYP  10  -2.101  -7.524  18.307
   62   1HD   HYP  10          1HD1      HYP  10  -0.394  -8.835  14.745
   63   2HD   HYP  10          2HD1      HYP  10   0.502  -7.748  15.834
   64    HOD  HYP  10           HD2      HYP  10  -1.389 -10.400  15.710
   65    HG   HYP  10           HG       HYP  10  -0.543  -9.131  17.517
   66    HA   HYP  11           HA       HYP  11  -3.251  -6.070  18.825
   67   1HB   HYP  11          1HB       HYP  11  -2.154  -6.104  20.904
   68   2HB   HYP  11          2HB       HYP  11  -3.052  -4.622  21.166
   69   1HD   HYP  11          1HD1      HYP  11   0.418  -4.225  18.847
   70   2HD   HYP  11          2HD1      HYP  11  -0.844  -2.982  18.777
   71    HOD  HYP  11           HD2      HYP  11   0.826  -4.749  21.063
   72    HG   HYP  11           HG       HYP  11  -1.010  -3.445  21.148
   73    H    VAL  12           H        VAL  12  -3.417  -4.413  16.814
   74    HA   VAL  12           HA       VAL  12  -4.769  -1.933  17.597
   75    HB   VAL  12           HB       VAL  12  -4.489  -2.972  14.791
   76   1HG1  VAL  12          1HG1      VAL  12  -5.964  -0.967  15.126
   77   2HG1  VAL  12          2HG1      VAL  12  -4.540  -0.550  14.201
   78   3HG1  VAL  12          3HG1      VAL  12  -4.639  -0.124  15.903
   79   1HG2  VAL  12          1HG2      VAL  12  -2.344  -1.582  14.709
   80   2HG2  VAL  12          2HG2      VAL  12  -2.212  -2.999  15.733
   81   3HG2  VAL  12          3HG2      VAL  12  -2.449  -1.415  16.454
   82    H    CYS  13           H        CYS  13  -5.646  -5.020  16.204
   83    HA   CYS  13           HA       CYS  13  -8.175  -4.314  15.261
   84   1HB   CYS  13          1HB       CYS  13  -8.723  -6.685  15.447
   85   2HB   CYS  13          2HB       CYS  13  -7.275  -6.952  16.383
   86    H    CYS  14           H        CYS  14 -10.128  -5.072  15.825
   87    HA   CYS  14           HA       CYS  14 -11.134  -4.021  18.276
   88   1HB   CYS  14          1HB       CYS  14 -13.345  -4.922  17.246
   89   2HB   CYS  14          2HB       CYS  14 -12.337  -5.584  16.017
   90    H    MET  15           H        MET  15 -12.768  -5.252  19.550
   91    HA   MET  15           HA       MET  15 -11.481  -7.419  20.894
   92   1HB   MET  15          1HB       MET  15 -14.426  -6.674  21.192
   93   2HB   MET  15          2HB       MET  15 -13.161  -5.635  21.811
   94   1HG   MET  15          1HG       MET  15 -12.277  -7.460  23.190
   95   2HG   MET  15          2HG       MET  15 -13.461  -8.557  22.541
   96   1HE   MET  15          1HE       MET  15 -13.929  -5.561  25.903
   97   2HE   MET  15          2HE       MET  15 -13.219  -5.069  24.378
   98   3HE   MET  15          3HE       MET  15 -12.463  -6.353  25.356
   99    H    GLY  16           H        GLY  16 -11.256  -9.299  19.875
  100   1HA   GLY  16          1HA       GLY  16 -13.612 -10.525  18.484
  101   2HA   GLY  16          2HA       GLY  16 -12.503 -11.447  19.498
  102    H    LEU  17           H        LEU  17 -11.020  -8.955  17.753
  103    HA   LEU  17           HA       LEU  17 -10.123 -10.742  15.557
  104   1HB   LEU  17          1HB       LEU  17  -9.468  -8.433  14.583
  105   2HB   LEU  17          2HB       LEU  17 -10.481  -7.772  15.832
  106    HG   LEU  17           HG       LEU  17 -12.347  -9.329  14.957
  107   1HD1  LEU  17          1HD1      LEU  17 -11.238  -6.892  13.524
  108   2HD1  LEU  17          2HD1      LEU  17 -12.605  -6.975  14.622
  109   3HD1  LEU  17          3HD1      LEU  17 -12.748  -7.623  13.011
  110   1HD2  LEU  17          1HD2      LEU  17 -10.305 -10.222  13.289
  111   2HD2  LEU  17          2HD2      LEU  17 -11.189  -9.141  12.246
  112   3HD2  LEU  17          3HD2      LEU  17 -12.020 -10.487  13.003
  113    H    MET  18           H        MET  18  -8.009 -10.895  15.099
  114    HA   MET  18           HA       MET  18  -5.947  -9.632  16.853
  115   1HB   MET  18          1HB       MET  18  -6.253 -11.943  17.698
  116   2HB   MET  18          2HB       MET  18  -4.751 -11.898  16.804
  117   1HG   MET  18          1HG       MET  18  -6.227 -12.652  14.773
  118   2HG   MET  18          2HG       MET  18  -7.401 -13.043  15.983
  119   1HE   MET  18          1HE       MET  18  -3.713 -15.321  14.738
  120   2HE   MET  18          2HE       MET  18  -3.538 -13.638  15.207
  121   3HE   MET  18          3HE       MET  18  -4.610 -14.100  13.861
  122    H    CYS  19           H        CYS  19  -4.340 -11.705  14.851
  123    HA   CYS  19           HA       CYS  19  -4.758 -10.238  12.337
  124   1HB   CYS  19          1HB       CYS  19  -1.970  -9.944  13.162
  125   2HB   CYS  19          2HB       CYS  19  -3.120  -9.055  14.120
  126    H    SER  20           H        SER  20  -4.464 -11.300  10.723
  127    HA   SER  20           HA       SER  20  -2.973 -13.818  10.662
  128   1HB   SER  20          1HB       SER  20  -3.992 -13.639   8.132
  129   2HB   SER  20          2HB       SER  20  -5.057 -12.457   8.910
  130    HG   SER  20           HG       SER  20  -4.516 -15.094   9.798
  131    H    ARG  21           H        ARG  21  -1.204 -12.255  11.183
  132    HA   ARG  21           HA       ARG  21   0.877 -11.436  10.650
  133   1HB   ARG  21          1HB       ARG  21   1.857 -11.932   8.521
  134   2HB   ARG  21          2HB       ARG  21   0.313 -11.983   7.702
  135   1HG   ARG  21          1HG       ARG  21  -0.295 -14.055   8.762
  136   2HG   ARG  21          2HG       ARG  21   0.980 -13.903   9.952
  137   1HD   ARG  21          1HD       ARG  21   1.622 -15.566   8.198
  138   2HD   ARG  21          2HD       ARG  21   2.691 -14.172   8.130
  139    HE   ARG  21           HE       ARG  21   1.801 -13.622   6.034
  140   1HH1  ARG  21          1HH1      ARG  21  -0.791 -15.019   4.314
  141   2HH1  ARG  21          2HH1      ARG  21   0.550 -13.924   4.267
  142   1HH2  ARG  21          1HH2      ARG  21  -0.253 -15.908   7.646
  143   2HH2  ARG  21          2HH2      ARG  21  -1.248 -16.156   6.249
  144    H    GLY  22           H        GLY  22  -1.876  -9.908   9.937
  145   1HA   GLY  22          1HA       GLY  22  -0.653  -7.706   8.337
  146   2HA   GLY  22          2HA       GLY  22  -1.089  -7.319   9.989
  147    H    LYS  23           H        LYS  23  -3.439  -9.258   9.484
  148    HA   LYS  23           HA       LYS  23  -5.323  -7.182   8.527
  149   1HB   LYS  23          1HB       LYS  23  -6.477  -9.105   7.185
  150   2HB   LYS  23          2HB       LYS  23  -4.944  -9.947   7.313
  151   1HG   LYS  23          1HG       LYS  23  -3.783  -8.108   6.178
  152   2HG   LYS  23          2HG       LYS  23  -5.247  -7.142   6.171
  153   1HD   LYS  23          1HD       LYS  23  -6.312  -9.121   4.829
  154   2HD   LYS  23          2HD       LYS  23  -4.673  -9.697   4.618
  155   1HE   LYS  23          1HE       LYS  23  -5.337  -6.819   3.925
  156   2HE   LYS  23          2HE       LYS  23  -5.727  -8.105   2.794
  157   1HZ   LYS  23          1HZ       LYS  23  -3.050  -7.553   3.934
  158   2HZ   LYS  23          2HZ       LYS  23  -3.558  -7.195   2.353
  159   3HZ   LYS  23          3HZ       LYS  23  -3.423  -8.811   2.855
  160    H    CYS  24           H        CYS  24  -7.076  -7.220   9.926
  161    HA   CYS  24           HA       CYS  24  -7.011  -9.005  12.143
  162   1HB   CYS  24          1HB       CYS  24  -9.217  -8.030  12.727
  163   2HB   CYS  24          2HB       CYS  24  -9.352  -7.350  11.145
  164    H    VAL  25           H        VAL  25  -7.990 -10.713  12.684
  165    HA   VAL  25           HA       VAL  25 -10.064 -12.007  11.080
  166    HB   VAL  25           HB       VAL  25  -8.619 -14.137  11.309
  167   1HG1  VAL  25          1HG1      VAL  25  -7.562 -12.113   9.284
  168   2HG1  VAL  25          2HG1      VAL  25  -9.127 -12.890   9.116
  169   3HG1  VAL  25          3HG1      VAL  25  -7.665 -13.854   9.088
  170   1HG2  VAL  25          1HG2      VAL  25  -6.196 -12.371  11.122
  171   2HG2  VAL  25          2HG2      VAL  25  -6.325 -14.019  11.722
  172   3HG2  VAL  25          3HG2      VAL  25  -6.855 -12.682  12.710
  173    H    SER  26           H        SER  26 -11.166 -13.425  12.318
  174    HA   SER  26           HA       SER  26 -11.481 -12.902  15.038
  175   1HB   SER  26          1HB       SER  26 -12.200 -15.386  13.496
  176   2HB   SER  26          2HB       SER  26 -13.250 -13.989  13.833
  177    HG   SER  26           HG       SER  26 -12.547 -14.481  16.099
  178    H    ILE  27           H        ILE  27 -10.757 -13.654  16.845
  179    HA   ILE  27           HA       ILE  27  -8.198 -14.897  17.066
  180    HB   ILE  27           HB       ILE  27  -9.170 -15.386  19.553
  181   1HG1  ILE  27          1HG1      ILE  27 -10.836 -12.975  18.834
  182   2HG1  ILE  27          2HG1      ILE  27 -10.716 -13.791  20.365
  183   1HG2  ILE  27          1HG2      ILE  27  -8.352 -13.120  20.173
  184   2HG2  ILE  27          2HG2      ILE  27  -8.453 -12.632  18.488
  185   3HG2  ILE  27          3HG2      ILE  27  -7.298 -13.868  18.980
  186   1HD1  ILE  27          1HD1      ILE  27 -12.099 -14.800  17.894
  187   2HD1  ILE  27          2HD1      ILE  27 -12.727 -14.585  19.517
  188   3HD1  ILE  27          3HD1      ILE  27 -11.581 -15.876  19.187
  189    H    TYR  28           H        TYR  28 -11.309 -16.146  16.676
  190    HA   TYR  28           HA       TYR  28 -10.619 -18.911  17.493
  191   1HB   TYR  28          1HB       TYR  28 -13.009 -19.369  16.939
  192   2HB   TYR  28          2HB       TYR  28 -13.203 -17.737  16.341
  193    HD1  TYR  28           HD1      TYR  28 -11.517 -18.990  19.478
  194    HD2  TYR  28           HD2      TYR  28 -14.680 -16.682  17.790
  195    HE1  TYR  28           HE1      TYR  28 -12.146 -18.217  21.706
  196    HE2  TYR  28           HE2      TYR  28 -15.306 -15.914  20.025
  197    HH   TYR  28           HH       TYR  28 -14.617 -17.295  22.698
  198    H    GLY  29           H        GLY  29 -11.733 -17.008  14.779
  199   1HA   GLY  29          1HA       GLY  29 -10.563 -18.946  12.870
  200   2HA   GLY  29          2HA       GLY  29 -10.533 -17.201  12.621
  201    H    GLU  30           H        GLU  30 -13.202 -16.838  13.685
  202    HA   GLU  30           HA       GLU  30 -14.721 -17.386  11.254
  203   1HB   GLU  30          1HB       GLU  30 -16.484 -18.198  13.370
  204   2HB   GLU  30          2HB       GLU  30 -14.969 -19.022  13.667
  205   1HG   GLU  30          1HG       GLU  30 -14.957 -19.904  11.348
  206   2HG   GLU  30          2HG       GLU  30 -16.454 -19.054  11.004
  Start of MODEL    7
    1   1H    SER   1          1H        SER   1 -12.179   4.777  18.802
    2   2H    SER   1          2H        SER   1 -10.979   3.836  19.550
    3   3H    SER   1          3H        SER   1 -12.483   3.145  19.167
    4    HA   SER   1           HA       SER   1 -12.071   3.327  16.846
    5   1HB   SER   1          1HB       SER   1  -9.850   4.222  16.039
    6   2HB   SER   1          2HB       SER   1  -9.448   4.673  17.705
    7    HG   SER   1           HG       SER   1 -11.658   5.528  16.155
    8    H    CYS   2           H        CYS   2 -11.279   1.537  15.891
    9    HA   CYS   2           HA       CYS   2  -9.055  -0.019  16.980
   10   1HB   CYS   2          1HB       CYS   2 -10.953  -0.663  18.466
   11   2HB   CYS   2          2HB       CYS   2 -10.345  -1.994  17.527
   12    H    SER   3           H        SER   3  -8.541  -1.861  15.666
   13    HA   SER   3           HA       SER   3  -9.097  -1.396  12.835
   14   1HB   SER   3          1HB       SER   3  -7.380  -3.588  12.938
   15   2HB   SER   3          2HB       SER   3  -7.077  -2.862  14.508
   16    HG   SER   3           HG       SER   3  -6.723  -0.901  13.537
   17    H    GLY   4           H        GLY   4 -11.073  -2.136  12.196
   18   1HA   GLY   4          1HA       GLY   4 -12.973  -3.526  12.090
   19   2HA   GLY   4          2HA       GLY   4 -12.254  -4.518  13.332
   20    H    ARG   5           H        ARG   5 -13.319  -5.933  11.317
   21    HA   ARG   5           HA       ARG   5 -11.470  -7.714  10.451
   22   1HB   ARG   5          1HB       ARG   5 -13.134  -7.925   8.346
   23   2HB   ARG   5          2HB       ARG   5 -14.090  -6.817   9.313
   24   1HG   ARG   5          1HG       ARG   5 -13.861  -8.431  11.260
   25   2HG   ARG   5          2HG       ARG   5 -13.022  -9.536  10.192
   26   1HD   ARG   5          1HD       ARG   5 -15.352  -8.918   8.740
   27   2HD   ARG   5          2HD       ARG   5 -15.910  -8.953  10.405
   28    HE   ARG   5           HE       ARG   5 -15.558 -11.263  10.434
   29   1HH1  ARG   5          1HH1      ARG   5 -14.020 -13.285   8.156
   30   2HH1  ARG   5          2HH1      ARG   5 -14.979 -13.198   9.597
   31   1HH2  ARG   5          1HH2      ARG   5 -13.826  -9.819   7.796
   32   2HH2  ARG   5          2HH2      ARG   5 -13.363 -11.346   7.123
   33    H    ASP   6           H        ASP   6  -9.902  -7.862   9.335
   34    HA   ASP   6           HA       ASP   6  -8.362  -7.853   7.629
   35   1HB   ASP   6          1HB       ASP   6  -8.780  -6.705   5.526
   36   2HB   ASP   6          2HB       ASP   6 -10.094  -5.782   6.221
   37    H    SER   7           H        SER   7  -8.892  -5.322   9.605
   38    HA   SER   7           HA       SER   7  -7.004  -3.400   8.457
   39   1HB   SER   7          1HB       SER   7  -7.403  -2.203  10.677
   40   2HB   SER   7          2HB       SER   7  -8.341  -3.616  11.175
   41    HG   SER   7           HG       SER   7  -9.824  -3.202   9.794
   42    H    ARG   8           H        ARG   8  -4.997  -2.771   9.427
   43    HA   ARG   8           HA       ARG   8  -3.175  -4.843   9.920
   44   1HB   ARG   8          1HB       ARG   8  -1.628  -2.961  10.695
   45   2HB   ARG   8          2HB       ARG   8  -3.001  -1.879  10.572
   46   1HG   ARG   8          1HG       ARG   8  -1.867  -1.658   8.483
   47   2HG   ARG   8          2HG       ARG   8  -3.240  -2.681   8.124
   48   1HD   ARG   8          1HD       ARG   8  -1.369  -4.603   8.786
   49   2HD   ARG   8          2HD       ARG   8  -0.323  -3.349   8.136
   50    HE   ARG   8           HE       ARG   8  -2.303  -3.474   6.253
   51   1HH1  ARG   8          1HH1      ARG   8  -0.343  -6.926   6.406
   52   2HH1  ARG   8          2HH1      ARG   8  -0.318  -5.877   7.782
   53   1HH2  ARG   8          1HH2      ARG   8  -2.342  -4.787   4.513
   54   2HH2  ARG   8          2HH2      ARG   8  -1.503  -6.305   4.530
   55    H    CYS   9           H        CYS   9  -2.595  -5.988  11.612
   56    HA   CYS   9           HA       CYS   9  -2.756  -5.046  14.337
   57   1HB   CYS   9          1HB       CYS   9  -4.951  -5.728  14.321
   58   2HB   CYS   9          2HB       CYS   9  -4.203  -7.250  14.722
   59    HA   HYP  10           HA       HYP  10  -3.218  -6.439  16.243
   60   1HB   HYP  10          1HB       HYP  10  -3.634  -8.549  16.973
   61   2HB   HYP  10          2HB       HYP  10  -2.440  -8.172  18.211
   62   1HD   HYP  10          1HD1      HYP  10  -0.797  -9.269  14.539
   63   2HD   HYP  10          2HD1      HYP  10   0.174  -8.307  15.678
   64    HOD  HYP  10           HD2      HYP  10  -2.945 -10.676  16.650
   65    HG   HYP  10           HG       HYP  10  -0.897  -9.724  17.305
   66    HA   HYP  11           HA       HYP  11  -3.453  -6.656  18.851
   67   1HB   HYP  11          1HB       HYP  11  -2.408  -6.918  20.937
   68   2HB   HYP  11          2HB       HYP  11  -3.135  -5.363  21.285
   69   1HD   HYP  11          1HD1      HYP  11   0.355  -5.116  18.984
   70   2HD   HYP  11          2HD1      HYP  11  -0.812  -3.781  19.044
   71    HOD  HYP  11           HD2      HYP  11  -0.256  -6.991  20.312
   72    HG   HYP  11           HG       HYP  11  -0.958  -4.453  21.375
   73    H    VAL  12           H        VAL  12  -3.460  -4.881  16.958
   74    HA   VAL  12           HA       VAL  12  -4.595  -2.337  17.856
   75    HB   VAL  12           HB       VAL  12  -4.374  -3.283  15.019
   76   1HG1  VAL  12          1HG1      VAL  12  -5.648  -1.179  15.342
   77   2HG1  VAL  12          2HG1      VAL  12  -4.122  -0.808  14.567
   78   3HG1  VAL  12          3HG1      VAL  12  -4.334  -0.498  16.282
   79   1HG2  VAL  12          1HG2      VAL  12  -2.104  -2.078  15.009
   80   2HG2  VAL  12          2HG2      VAL  12  -2.117  -3.566  15.936
   81   3HG2  VAL  12          3HG2      VAL  12  -2.203  -2.019  16.761
   82    H    CYS  13           H        CYS  13  -5.717  -5.295  16.394
   83    HA   CYS  13           HA       CYS  13  -8.165  -4.387  15.406
   84   1HB   CYS  13          1HB       CYS  13  -8.920  -6.730  15.659
   85   2HB   CYS  13          2HB       CYS  13  -7.444  -7.070  16.520
   86    H    CYS  14           H        CYS  14 -10.168  -4.923  15.902
   87    HA   CYS  14           HA       CYS  14 -11.157  -3.814  18.334
   88   1HB   CYS  14          1HB       CYS  14 -13.395  -4.412  17.234
   89   2HB   CYS  14          2HB       CYS  14 -12.480  -5.317  16.096
   90    H    MET  15           H        MET  15 -12.859  -4.924  19.624
   91    HA   MET  15           HA       MET  15 -11.771  -7.251  20.873
   92   1HB   MET  15          1HB       MET  15 -14.588  -6.098  21.186
   93   2HB   MET  15          2HB       MET  15 -13.176  -5.462  22.004
   94   1HG   MET  15          1HG       MET  15 -12.786  -7.720  23.018
   95   2HG   MET  15          2HG       MET  15 -14.262  -8.275  22.280
   96   1HE   MET  15          1HE       MET  15 -13.748  -5.783  26.032
   97   2HE   MET  15          2HE       MET  15 -12.878  -5.411  24.558
   98   3HE   MET  15          3HE       MET  15 -12.628  -6.970  25.382
   99    H    GLY  16           H        GLY  16 -11.715  -9.104  19.782
  100   1HA   GLY  16          1HA       GLY  16 -14.183 -10.090  18.395
  101   2HA   GLY  16          2HA       GLY  16 -13.135 -11.126  19.362
  102    H    LEU  17           H        LEU  17 -11.374  -8.789  17.725
  103    HA   LEU  17           HA       LEU  17 -10.689 -10.561  15.440
  104   1HB   LEU  17          1HB       LEU  17  -9.835  -8.263  14.551
  105   2HB   LEU  17          2HB       LEU  17 -10.816  -7.580  15.812
  106    HG   LEU  17           HG       LEU  17 -12.792  -8.905  14.872
  107   1HD1  LEU  17          1HD1      LEU  17 -11.427  -6.580  13.477
  108   2HD1  LEU  17          2HD1      LEU  17 -12.798  -6.529  14.570
  109   3HD1  LEU  17          3HD1      LEU  17 -13.006  -7.142  12.952
  110   1HD2  LEU  17          1HD2      LEU  17 -10.764  -9.886  13.156
  111   2HD2  LEU  17          2HD2      LEU  17 -11.706  -8.815  12.156
  112   3HD2  LEU  17          3HD2      LEU  17 -12.493 -10.148  12.976
  113    H    MET  18           H        MET  18  -8.570 -10.863  14.960
  114    HA   MET  18           HA       MET  18  -6.418  -9.823  16.745
  115   1HB   MET  18          1HB       MET  18  -6.941 -12.131  17.521
  116   2HB   MET  18          2HB       MET  18  -5.401 -12.141  16.699
  117   1HG   MET  18          1HG       MET  18  -6.779 -12.789  14.577
  118   2HG   MET  18          2HG       MET  18  -8.058 -13.105  15.695
  119   1HE   MET  18          1HE       MET  18  -4.179 -15.429  15.141
  120   2HE   MET  18          2HE       MET  18  -4.290 -13.694  15.255
  121   3HE   MET  18          3HE       MET  18  -4.989 -14.539  13.854
  122    H    CYS  19           H        CYS  19  -4.862 -11.909  14.749
  123    HA   CYS  19           HA       CYS  19  -5.241 -10.377  12.257
  124   1HB   CYS  19          1HB       CYS  19  -2.446 -10.232  13.054
  125   2HB   CYS  19          2HB       CYS  19  -3.542  -9.334  14.065
  126    H    SER  20           H        SER  20  -4.995 -11.343  10.590
  127    HA   SER  20           HA       SER  20  -3.565 -13.887  10.345
  128   1HB   SER  20          1HB       SER  20  -4.696 -13.573   7.883
  129   2HB   SER  20          2HB       SER  20  -5.723 -12.430   8.762
  130    HG   SER  20           HG       SER  20  -6.697 -14.165   9.413
  131    H    ARG  21           H        ARG  21  -1.698 -12.649  10.770
  132    HA   ARG  21           HA       ARG  21   0.362 -11.829  10.244
  133   1HB   ARG  21          1HB       ARG  21  -0.280 -13.400   8.155
  134   2HB   ARG  21          2HB       ARG  21   1.209 -12.500   8.204
  135   1HG   ARG  21          1HG       ARG  21   0.667 -11.214   6.426
  136   2HG   ARG  21          2HG       ARG  21  -0.951 -10.898   6.999
  137   1HD   ARG  21          1HD       ARG  21  -1.158 -12.131   4.931
  138   2HD   ARG  21          2HD       ARG  21  -1.622 -13.221   6.236
  139    HE   ARG  21           HE       ARG  21   1.191 -13.462   5.712
  140   1HH1  ARG  21          1HH1      ARG  21   0.852 -16.207   3.699
  141   2HH1  ARG  21          2HH1      ARG  21   1.933 -15.234   4.639
  142   1HH2  ARG  21          1HH2      ARG  21  -1.930 -14.230   4.431
  143   2HH2  ARG  21          2HH2      ARG  21  -1.370 -15.629   3.579
  144    H    GLY  22           H        GLY  22  -2.264 -10.008   9.998
  145   1HA   GLY  22          1HA       GLY  22  -0.883  -7.685   8.696
  146   2HA   GLY  22          2HA       GLY  22  -1.446  -7.530  10.346
  147    H    LYS  23           H        LYS  23  -3.781  -9.282   9.505
  148    HA   LYS  23           HA       LYS  23  -5.539  -7.080   8.564
  149   1HB   LYS  23          1HB       LYS  23  -6.702  -8.921   7.121
  150   2HB   LYS  23          2HB       LYS  23  -5.233  -9.843   7.343
  151   1HG   LYS  23          1HG       LYS  23  -4.109  -7.537   6.475
  152   2HG   LYS  23          2HG       LYS  23  -5.693  -7.306   5.789
  153   1HD   LYS  23          1HD       LYS  23  -5.175  -8.717   4.082
  154   2HD   LYS  23          2HD       LYS  23  -4.936 -10.035   5.203
  155   1HE   LYS  23          1HE       LYS  23  -2.846  -8.033   4.271
  156   2HE   LYS  23          2HE       LYS  23  -2.885  -9.758   3.948
  157   1HZ   LYS  23          1HZ       LYS  23  -2.384  -8.419   6.537
  158   2HZ   LYS  23          2HZ       LYS  23  -1.333  -9.400   5.643
  159   3HZ   LYS  23          3HZ       LYS  23  -2.673 -10.086   6.416
  160    H    CYS  24           H        CYS  24  -7.316  -7.073   9.960
  161    HA   CYS  24           HA       CYS  24  -7.385  -8.988  12.064
  162   1HB   CYS  24          1HB       CYS  24  -9.542  -7.946  12.680
  163   2HB   CYS  24          2HB       CYS  24  -9.605  -7.138  11.155
  164    H    VAL  25           H        VAL  25  -8.571 -10.576  12.553
  165    HA   VAL  25           HA       VAL  25 -10.663 -11.694  10.863
  166    HB   VAL  25           HB       VAL  25  -9.353 -13.928  11.128
  167   1HG1  VAL  25          1HG1      VAL  25  -8.180 -12.027   9.055
  168   2HG1  VAL  25          2HG1      VAL  25  -9.825 -12.630   8.934
  169   3HG1  VAL  25          3HG1      VAL  25  -8.478 -13.750   8.882
  170   1HG2  VAL  25          1HG2      VAL  25  -6.862 -12.223  10.926
  171   2HG2  VAL  25          2HG2      VAL  25  -7.003 -13.905  11.406
  172   3HG2  VAL  25          3HG2      VAL  25  -7.496 -12.640  12.502
  173    H    SER  26           H        SER  26 -11.903 -13.034  12.130
  174    HA   SER  26           HA       SER  26 -12.071 -12.465  14.859
  175   1HB   SER  26          1HB       SER  26 -13.096 -15.029  13.586
  176   2HB   SER  26          2HB       SER  26 -13.959 -13.473  13.601
  177    HG   SER  26           HG       SER  26 -13.340 -13.571  15.951
  178    H    ILE  27           H        ILE  27 -11.404 -13.295  16.658
  179    HA   ILE  27           HA       ILE  27  -8.951 -14.730  16.840
  180    HB   ILE  27           HB       ILE  27  -9.995 -15.211  19.325
  181   1HG1  ILE  27          1HG1      ILE  27 -11.409 -12.665  18.530
  182   2HG1  ILE  27          2HG1      ILE  27 -11.364 -13.385  20.112
  183   1HG2  ILE  27          1HG2      ILE  27  -8.959 -13.087  20.031
  184   2HG2  ILE  27          2HG2      ILE  27  -9.016 -12.499  18.377
  185   3HG2  ILE  27          3HG2      ILE  27  -7.973 -13.858  18.795
  186   1HD1  ILE  27          1HD1      ILE  27 -12.828 -14.403  17.698
  187   2HD1  ILE  27          2HD1      ILE  27 -13.431 -14.085  19.313
  188   3HD1  ILE  27          3HD1      ILE  27 -12.392 -15.474  19.023
  189    H    TYR  28           H        TYR  28 -12.143 -15.757  16.448
  190    HA   TYR  28           HA       TYR  28 -11.653 -18.552  17.265
  191   1HB   TYR  28          1HB       TYR  28 -14.061 -18.841  16.590
  192   2HB   TYR  28          2HB       TYR  28 -14.099 -17.174  16.057
  193    HD1  TYR  28           HD1      TYR  28 -12.626 -18.736  19.165
  194    HD2  TYR  28           HD2      TYR  28 -15.465 -15.997  17.545
  195    HE1  TYR  28           HE1      TYR  28 -13.203 -18.000  21.417
  196    HE2  TYR  28           HE2      TYR  28 -16.040 -15.267  19.807
  197    HH   TYR  28           HH       TYR  28 -14.757 -15.246  22.120
  198    H    GLY  29           H        GLY  29 -12.471 -16.682  14.413
  199   1HA   GLY  29          1HA       GLY  29 -12.034 -17.003  12.141
  200   2HA   GLY  29          2HA       GLY  29 -12.508 -18.669  12.449
  201    H    GLU  30           H        GLU  30  -9.778 -16.694  13.449
  202    HA   GLU  30           HA       GLU  30  -7.859 -18.492  12.081
  203   1HB   GLU  30          1HB       GLU  30  -7.093 -15.884  13.430
  204   2HB   GLU  30          2HB       GLU  30  -7.987 -15.832  11.930
  205   1HG   GLU  30          1HG       GLU  30  -5.470 -15.748  11.638
  206   2HG   GLU  30          2HG       GLU  30  -6.267 -17.019  10.729
  Start of MODEL    8
    1   1H    SER   1          1H        SER   1 -12.387   3.377  19.137
    2   2H    SER   1          2H        SER   1 -12.155   4.960  18.565
    3   3H    SER   1          3H        SER   1 -10.860   4.109  19.265
    4    HA   SER   1           HA       SER   1 -12.251   3.297  16.783
    5   1HB   SER   1          1HB       SER   1 -10.107   4.094  15.648
    6   2HB   SER   1          2HB       SER   1  -9.613   4.805  17.195
    7    HG   SER   1           HG       SER   1 -11.959   5.334  15.700
    8    H    CYS   2           H        CYS   2 -11.360   1.519  15.801
    9    HA   CYS   2           HA       CYS   2  -9.096   0.066  16.970
   10   1HB   CYS   2          1HB       CYS   2 -11.000  -0.595  18.429
   11   2HB   CYS   2          2HB       CYS   2 -10.367  -1.934  17.516
   12    H    SER   3           H        SER   3  -8.541  -1.834  15.724
   13    HA   SER   3           HA       SER   3  -8.977  -1.421  12.861
   14   1HB   SER   3          1HB       SER   3  -7.345  -3.653  13.033
   15   2HB   SER   3          2HB       SER   3  -7.080  -2.959  14.622
   16    HG   SER   3           HG       SER   3  -5.729  -2.176  12.964
   17    H    GLY   4           H        GLY   4 -11.006  -2.104  12.230
   18   1HA   GLY   4          1HA       GLY   4 -12.922  -3.468  12.082
   19   2HA   GLY   4          2HA       GLY   4 -12.240  -4.471  13.336
   20    H    ARG   5           H        ARG   5 -13.292  -5.915  11.316
   21    HA   ARG   5           HA       ARG   5 -11.424  -7.678  10.467
   22   1HB   ARG   5          1HB       ARG   5 -13.071  -8.013   8.424
   23   2HB   ARG   5          2HB       ARG   5 -14.012  -6.773   9.235
   24   1HG   ARG   5          1HG       ARG   5 -13.928  -8.188  11.352
   25   2HG   ARG   5          2HG       ARG   5 -13.072  -9.420  10.445
   26   1HD   ARG   5          1HD       ARG   5 -15.425  -9.987  10.545
   27   2HD   ARG   5          2HD       ARG   5 -15.020  -9.597   8.882
   28    HE   ARG   5           HE       ARG   5 -16.605  -7.913  10.763
   29   1HH1  ARG   5          1HH1      ARG   5 -16.331  -7.217   6.863
   30   2HH1  ARG   5          2HH1      ARG   5 -15.303  -8.413   7.572
   31   1HH2  ARG   5          1HH2      ARG   5 -17.888  -6.402   9.868
   32   2HH2  ARG   5          2HH2      ARG   5 -17.804  -6.061   8.171
   33    H    ASP   6           H        ASP   6  -9.820  -7.767   9.400
   34    HA   ASP   6           HA       ASP   6  -8.293  -7.751   7.686
   35   1HB   ASP   6          1HB       ASP   6  -9.679  -5.584   6.126
   36   2HB   ASP   6          2HB       ASP   6 -10.470  -7.149   6.250
   37    H    SER   7           H        SER   7  -8.871  -5.238   9.670
   38    HA   SER   7           HA       SER   7  -7.016  -3.284   8.527
   39   1HB   SER   7          1HB       SER   7  -7.402  -2.130  10.778
   40   2HB   SER   7          2HB       SER   7  -8.359  -3.546  11.244
   41    HG   SER   7           HG       SER   7  -8.766  -2.014   8.903
   42    H    ARG   8           H        ARG   8  -4.979  -2.707   9.417
   43    HA   ARG   8           HA       ARG   8  -3.185  -4.791   9.896
   44   1HB   ARG   8          1HB       ARG   8  -2.533  -2.549   9.104
   45   2HB   ARG   8          2HB       ARG   8  -1.555  -3.013  10.471
   46   1HG   ARG   8          1HG       ARG   8  -4.078  -1.434  11.034
   47   2HG   ARG   8          2HG       ARG   8  -2.756  -0.588  10.271
   48   1HD   ARG   8          1HD       ARG   8  -1.605  -2.111  12.437
   49   2HD   ARG   8          2HD       ARG   8  -3.037  -1.321  13.062
   50    HE   ARG   8           HE       ARG   8  -0.597  -0.014  12.124
   51   1HH1  ARG   8          1HH1      ARG   8  -3.854   2.047  13.076
   52   2HH1  ARG   8          2HH1      ARG   8  -3.989   0.340  12.850
   53   1HH2  ARG   8          1HH2      ARG   8  -0.436   2.139  12.416
   54   2HH2  ARG   8          2HH2      ARG   8  -1.827   3.083  12.831
   55    H    CYS   9           H        CYS   9  -2.565  -5.931  11.614
   56    HA   CYS   9           HA       CYS   9  -2.777  -5.011  14.336
   57   1HB   CYS   9          1HB       CYS   9  -4.962  -5.707  14.273
   58   2HB   CYS   9          2HB       CYS   9  -4.203  -7.216  14.709
   59    HA   HYP  10           HA       HYP  10  -3.209  -6.404  16.233
   60   1HB   HYP  10          1HB       HYP  10  -3.594  -8.517  16.974
   61   2HB   HYP  10          2HB       HYP  10  -2.393  -8.128  18.201
   62   1HD   HYP  10          1HD1      HYP  10  -0.779  -9.217  14.522
   63   2HD   HYP  10          2HD1      HYP  10   0.204  -8.247  15.644
   64    HOD  HYP  10           HD2      HYP  10  -2.896 -10.622  16.653
   65    HG   HYP  10           HG       HYP  10  -0.836  -9.652  17.292
   66    HA   HYP  11           HA       HYP  11  -3.413  -6.644  18.859
   67   1HB   HYP  11          1HB       HYP  11  -2.300  -6.904  20.917
   68   2HB   HYP  11          2HB       HYP  11  -3.090  -5.388  21.298
   69   1HD   HYP  11          1HD1      HYP  11   0.372  -5.050  18.960
   70   2HD   HYP  11          2HD1      HYP  11  -0.804  -3.725  19.010
   71    HOD  HYP  11           HD2      HYP  11  -0.049  -6.229  21.955
   72    HG   HYP  11           HG       HYP  11  -0.971  -4.358  21.340
   73    H    VAL  12           H        VAL  12  -3.444  -4.835  16.980
   74    HA   VAL  12           HA       VAL  12  -4.624  -2.333  17.943
   75    HB   VAL  12           HB       VAL  12  -4.399  -3.181  15.067
   76   1HG1  VAL  12          1HG1      VAL  12  -5.678  -1.103  15.458
   77   2HG1  VAL  12          2HG1      VAL  12  -4.136  -0.656  14.763
   78   3HG1  VAL  12          3HG1      VAL  12  -4.405  -0.468  16.484
   79   1HG2  VAL  12          1HG2      VAL  12  -2.132  -1.960  15.106
   80   2HG2  VAL  12          2HG2      VAL  12  -2.138  -3.491  15.956
   81   3HG2  VAL  12          3HG2      VAL  12  -2.226  -1.987  16.858
   82    H    CYS  13           H        CYS  13  -5.677  -5.275  16.433
   83    HA   CYS  13           HA       CYS  13  -8.140  -4.480  15.422
   84   1HB   CYS  13          1HB       CYS  13  -8.840  -6.825  15.798
   85   2HB   CYS  13          2HB       CYS  13  -7.340  -7.085  16.636
   86    H    CYS  14           H        CYS  14 -10.144  -4.908  15.910
   87    HA   CYS  14           HA       CYS  14 -11.137  -3.781  18.324
   88   1HB   CYS  14          1HB       CYS  14 -13.375  -4.355  17.221
   89   2HB   CYS  14          2HB       CYS  14 -12.474  -5.286  16.087
   90    H    MET  15           H        MET  15 -12.906  -4.893  19.574
   91    HA   MET  15           HA       MET  15 -11.837  -7.177  20.895
   92   1HB   MET  15          1HB       MET  15 -14.711  -6.153  21.052
   93   2HB   MET  15          2HB       MET  15 -13.372  -5.391  21.888
   94   1HG   MET  15          1HG       MET  15 -12.913  -7.428  23.137
   95   2HG   MET  15          2HG       MET  15 -14.112  -8.306  22.231
   96   1HE   MET  15          1HE       MET  15 -13.233  -6.439  25.302
   97   2HE   MET  15          2HE       MET  15 -14.702  -5.653  25.847
   98   3HE   MET  15          3HE       MET  15 -13.860  -5.007  24.448
   99    H    GLY  16           H        GLY  16 -11.688  -9.076  19.893
  100   1HA   GLY  16          1HA       GLY  16 -14.077 -10.197  18.470
  101   2HA   GLY  16          2HA       GLY  16 -12.962 -11.152  19.441
  102    H    LEU  17           H        LEU  17 -11.336  -8.737  17.760
  103    HA   LEU  17           HA       LEU  17 -10.649 -10.519  15.483
  104   1HB   LEU  17          1HB       LEU  17  -9.806  -8.233  14.581
  105   2HB   LEU  17          2HB       LEU  17 -10.755  -7.539  15.862
  106    HG   LEU  17           HG       LEU  17 -12.757  -8.857  14.958
  107   1HD1  LEU  17          1HD1      LEU  17 -11.405  -6.490  13.639
  108   2HD1  LEU  17          2HD1      LEU  17 -12.879  -6.522  14.597
  109   3HD1  LEU  17          3HD1      LEU  17 -12.901  -7.101  12.956
  110   1HD2  LEU  17          1HD2      LEU  17 -12.569 -10.014  12.979
  111   2HD2  LEU  17          2HD2      LEU  17 -10.835  -9.947  13.266
  112   3HD2  LEU  17          3HD2      LEU  17 -11.592  -8.761  12.235
  113    H    MET  18           H        MET  18  -8.544 -10.886  15.001
  114    HA   MET  18           HA       MET  18  -6.365  -9.813  16.741
  115   1HB   MET  18          1HB       MET  18  -7.050 -12.168  17.468
  116   2HB   MET  18          2HB       MET  18  -5.396 -12.060  16.923
  117   1HG   MET  18          1HG       MET  18  -6.917 -12.678  14.612
  118   2HG   MET  18          2HG       MET  18  -7.552 -13.666  15.882
  119   1HE   MET  18          1HE       MET  18  -5.329 -16.379  16.480
  120   2HE   MET  18          2HE       MET  18  -6.660 -15.377  16.994
  121   3HE   MET  18          3HE       MET  18  -5.028 -15.023  17.579
  122    H    CYS  19           H        CYS  19  -4.743 -11.854  14.807
  123    HA   CYS  19           HA       CYS  19  -5.218 -10.373  12.276
  124   1HB   CYS  19          1HB       CYS  19  -2.406 -10.236  13.030
  125   2HB   CYS  19          2HB       CYS  19  -3.486  -9.326  14.051
  126    H    SER  20           H        SER  20  -5.035 -11.387  10.616
  127    HA   SER  20           HA       SER  20  -3.674 -13.972  10.414
  128   1HB   SER  20          1HB       SER  20  -4.788 -13.666   7.944
  129   2HB   SER  20          2HB       SER  20  -5.766 -12.463   8.790
  130    HG   SER  20           HG       SER  20  -5.638 -14.473  10.412
  131    H    ARG  21           H        ARG  21  -1.800 -12.501  10.881
  132    HA   ARG  21           HA       ARG  21   0.311 -11.883  10.243
  133   1HB   ARG  21          1HB       ARG  21  -0.482 -13.403   8.117
  134   2HB   ARG  21          2HB       ARG  21   1.082 -12.644   8.217
  135   1HG   ARG  21          1HG       ARG  21   0.633 -11.080   6.595
  136   2HG   ARG  21          2HG       ARG  21  -1.068 -10.952   6.984
  137   1HD   ARG  21          1HD       ARG  21  -0.683 -12.012   4.768
  138   2HD   ARG  21          2HD       ARG  21  -1.547 -13.082   5.850
  139    HE   ARG  21           HE       ARG  21   1.335 -13.301   5.090
  140   1HH1  ARG  21          1HH1      ARG  21  -0.770 -16.249   6.715
  141   2HH1  ARG  21          2HH1      ARG  21  -1.489 -14.681   6.602
  142   1HH2  ARG  21          1HH2      ARG  21   2.232 -15.272   5.251
  143   2HH2  ARG  21          2HH2      ARG  21   1.354 -16.591   5.953
  144    H    GLY  22           H        GLY  22  -2.363 -10.017   9.871
  145   1HA   GLY  22          1HA       GLY  22  -0.933  -7.737   8.576
  146   2HA   GLY  22          2HA       GLY  22  -1.444  -7.543  10.245
  147    H    LYS  23           H        LYS  23  -3.820  -9.283   9.481
  148    HA   LYS  23           HA       LYS  23  -5.584  -7.073   8.594
  149   1HB   LYS  23          1HB       LYS  23  -6.774  -8.923   7.142
  150   2HB   LYS  23          2HB       LYS  23  -5.272  -9.807   7.296
  151   1HG   LYS  23          1HG       LYS  23  -4.063  -7.785   6.350
  152   2HG   LYS  23          2HG       LYS  23  -5.620  -7.040   6.073
  153   1HD   LYS  23          1HD       LYS  23  -5.396  -8.043   4.003
  154   2HD   LYS  23          2HD       LYS  23  -6.088  -9.420   4.835
  155   1HE   LYS  23          1HE       LYS  23  -4.130 -10.264   3.729
  156   2HE   LYS  23          2HE       LYS  23  -3.653 -10.107   5.413
  157   1HZ   LYS  23          1HZ       LYS  23  -2.531  -8.107   4.960
  158   2HZ   LYS  23          2HZ       LYS  23  -3.198  -7.988   3.404
  159   3HZ   LYS  23          3HZ       LYS  23  -2.062  -9.202   3.748
  160    H    CYS  24           H        CYS  24  -7.326  -7.071   9.992
  161    HA   CYS  24           HA       CYS  24  -7.384  -8.981  12.097
  162   1HB   CYS  24          1HB       CYS  24  -9.548  -7.899  12.722
  163   2HB   CYS  24          2HB       CYS  24  -9.544  -7.056  11.218
  164    H    VAL  25           H        VAL  25  -8.564 -10.567  12.630
  165    HA   VAL  25           HA       VAL  25 -10.725 -11.621  10.981
  166    HB   VAL  25           HB       VAL  25  -9.464 -13.884  11.156
  167   1HG1  VAL  25          1HG1      VAL  25  -8.537 -13.641   8.923
  168   2HG1  VAL  25          2HG1      VAL  25  -8.325 -11.911   9.128
  169   3HG1  VAL  25          3HG1      VAL  25  -9.939 -12.588   8.996
  170   1HG2  VAL  25          1HG2      VAL  25  -7.165 -13.946  11.461
  171   2HG2  VAL  25          2HG2      VAL  25  -7.558 -12.624  12.530
  172   3HG2  VAL  25          3HG2      VAL  25  -6.919 -12.292  10.936
  173    H    SER  26           H        SER  26 -11.979 -12.949  12.153
  174    HA   SER  26           HA       SER  26 -12.273 -12.578  14.901
  175   1HB   SER  26          1HB       SER  26 -13.207 -14.898  13.195
  176   2HB   SER  26          2HB       SER  26 -14.137 -13.472  13.708
  177    HG   SER  26           HG       SER  26 -13.191 -15.634  15.236
  178    H    ILE  27           H        ILE  27 -11.492 -13.387  16.625
  179    HA   ILE  27           HA       ILE  27  -9.054 -14.820  16.763
  180    HB   ILE  27           HB       ILE  27 -10.017 -15.361  19.234
  181   1HG1  ILE  27          1HG1      ILE  27 -11.575 -12.841  18.647
  182   2HG1  ILE  27          2HG1      ILE  27 -11.522 -13.759  20.120
  183   1HG2  ILE  27          1HG2      ILE  27  -8.097 -13.884  18.716
  184   2HG2  ILE  27          2HG2      ILE  27  -9.123 -13.137  19.934
  185   3HG2  ILE  27          3HG2      ILE  27  -9.210 -12.594  18.268
  186   1HD1  ILE  27          1HD1      ILE  27 -12.482 -15.707  18.746
  187   2HD1  ILE  27          2HD1      ILE  27 -12.949 -14.474  17.578
  188   3HD1  ILE  27          3HD1      ILE  27 -13.556 -14.400  19.221
  189    H    TYR  28           H        TYR  28 -12.237 -15.924  16.391
  190    HA   TYR  28           HA       TYR  28 -11.661 -18.717  17.146
  191   1HB   TYR  28          1HB       TYR  28 -14.065 -19.064  16.507
  192   2HB   TYR  28          2HB       TYR  28 -14.165 -17.398  15.980
  193    HD1  TYR  28           HD1      TYR  28 -15.609 -16.333  17.498
  194    HD2  TYR  28           HD2      TYR  28 -12.548 -18.858  19.067
  195    HE1  TYR  28           HE1      TYR  28 -16.179 -15.628  19.769
  196    HE2  TYR  28           HE2      TYR  28 -13.125 -18.146  21.327
  197    HH   TYR  28           HH       TYR  28 -14.628 -15.581  22.131
  198    H    GLY  29           H        GLY  29 -12.547 -16.820  14.318
  199   1HA   GLY  29          1HA       GLY  29 -12.060 -17.111  12.040
  200   2HA   GLY  29          2HA       GLY  29 -12.540 -18.786  12.327
  201    H    GLU  30           H        GLU  30  -9.893 -16.814  13.478
  202    HA   GLU  30           HA       GLU  30  -7.881 -18.861  12.828
  203   1HB   GLU  30          1HB       GLU  30  -7.664 -15.894  12.138
  204   2HB   GLU  30          2HB       GLU  30  -7.979 -17.153  10.964
  205   1HG   GLU  30          1HG       GLU  30  -5.691 -17.105  10.752
  206   2HG   GLU  30          2HG       GLU  30  -5.794 -18.255  12.077
  Start of MODEL    9
    1   1H    SER   1          1H        SER   1 -11.438   3.670  19.533
    2   2H    SER   1          2H        SER   1 -12.243   4.922  18.714
    3   3H    SER   1          3H        SER   1 -10.572   4.705  18.503
    4    HA   SER   1           HA       SER   1 -12.797   3.063  17.500
    5   1HB   SER   1          1HB       SER   1 -10.284   3.886  15.972
    6   2HB   SER   1          2HB       SER   1 -11.593   5.053  16.201
    7    HG   SER   1           HG       SER   1 -11.598   2.592  14.874
    8    H    CYS   2           H        CYS   2 -11.483   1.465  15.872
    9    HA   CYS   2           HA       CYS   2  -9.261   0.014  17.063
   10   1HB   CYS   2          1HB       CYS   2 -11.144  -0.746  18.509
   11   2HB   CYS   2          2HB       CYS   2 -10.455  -2.040  17.573
   12    H    SER   3           H        SER   3  -8.628  -1.836  15.787
   13    HA   SER   3           HA       SER   3  -9.094  -1.413  12.931
   14   1HB   SER   3          1HB       SER   3  -7.386  -3.589  13.076
   15   2HB   SER   3          2HB       SER   3  -7.132  -2.887  14.661
   16    HG   SER   3           HG       SER   3  -5.833  -2.047  12.982
   17    H    GLY   4           H        GLY   4 -11.142  -2.129  12.379
   18   1HA   GLY   4          1HA       GLY   4 -12.979  -3.584  12.190
   19   2HA   GLY   4          2HA       GLY   4 -12.245  -4.578  13.422
   20    H    ARG   5           H        ARG   5 -13.253  -6.010  11.412
   21    HA   ARG   5           HA       ARG   5 -11.342  -7.711  10.515
   22   1HB   ARG   5          1HB       ARG   5 -12.988  -8.063   8.465
   23   2HB   ARG   5          2HB       ARG   5 -13.975  -6.875   9.297
   24   1HG   ARG   5          1HG       ARG   5 -13.898  -8.294  11.368
   25   2HG   ARG   5          2HG       ARG   5 -12.948  -9.487  10.498
   26   1HD   ARG   5          1HD       ARG   5 -15.729  -8.608   9.615
   27   2HD   ARG   5          2HD       ARG   5 -15.397 -10.031  10.595
   28    HE   ARG   5           HE       ARG   5 -14.063  -9.692   7.941
   29   1HH1  ARG   5          1HH1      ARG   5 -15.058 -12.800   7.003
   30   2HH1  ARG   5          2HH1      ARG   5 -14.135 -11.391   6.599
   31   1HH2  ARG   5          1HH2      ARG   5 -16.165 -11.516  10.045
   32   2HH2  ARG   5          2HH2      ARG   5 -16.216 -12.863   8.964
   33    H    ASP   6           H        ASP   6  -9.770  -7.797   9.324
   34    HA   ASP   6           HA       ASP   6  -8.297  -7.651   7.582
   35   1HB   ASP   6          1HB       ASP   6  -9.655  -5.466   6.073
   36   2HB   ASP   6          2HB       ASP   6 -10.621  -6.910   6.315
   37    H    SER   7           H        SER   7  -8.884  -5.215   9.672
   38    HA   SER   7           HA       SER   7  -7.114  -3.180   8.543
   39   1HB   SER   7          1HB       SER   7  -7.482  -2.094  10.824
   40   2HB   SER   7          2HB       SER   7  -8.376  -3.552  11.282
   41    HG   SER   7           HG       SER   7  -8.900  -1.869   9.076
   42    H    ARG   8           H        ARG   8  -5.111  -2.500   9.473
   43    HA   ARG   8           HA       ARG   8  -3.214  -4.538   9.856
   44   1HB   ARG   8          1HB       ARG   8  -2.705  -2.234   9.060
   45   2HB   ARG   8          2HB       ARG   8  -1.636  -2.713  10.355
   46   1HG   ARG   8          1HG       ARG   8  -4.139  -1.274  11.209
   47   2HG   ARG   8          2HG       ARG   8  -3.007  -0.327  10.275
   48   1HD   ARG   8          1HD       ARG   8  -1.877  -1.982  12.531
   49   2HD   ARG   8          2HD       ARG   8  -2.755  -0.512  12.937
   50    HE   ARG   8           HE       ARG   8  -1.014   0.246  10.899
   51   1HH1  ARG   8          1HH1      ARG   8   1.804   0.795  12.750
   52   2HH1  ARG   8          2HH1      ARG   8   0.968   1.106  11.264
   53   1HH2  ARG   8          1HH2      ARG   8  -0.748  -1.207  14.035
   54   2HH2  ARG   8          2HH2      ARG   8   0.816  -0.532  14.342
   55    H    CYS   9           H        CYS   9  -2.518  -5.639  11.574
   56    HA   CYS   9           HA       CYS   9  -2.749  -4.741  14.300
   57   1HB   CYS   9          1HB       CYS   9  -4.905  -5.543  14.251
   58   2HB   CYS   9          2HB       CYS   9  -4.068  -7.013  14.672
   59    HA   HYP  10           HA       HYP  10  -3.104  -6.166  16.193
   60   1HB   HYP  10          1HB       HYP  10  -3.385  -8.294  16.936
   61   2HB   HYP  10          2HB       HYP  10  -2.186  -7.855  18.147
   62   1HD   HYP  10          1HD1      HYP  10  -0.581  -8.864  14.443
   63   2HD   HYP  10          2HD1      HYP  10   0.379  -7.862  15.557
   64    HOD  HYP  10           HD2      HYP  10  -1.452 -10.505  15.347
   65    HG   HYP  10           HG       HYP  10  -0.581  -9.314  17.210
   66    HA   HYP  11           HA       HYP  11  -3.268  -6.413  18.822
   67   1HB   HYP  11          1HB       HYP  11  -2.134  -6.618  20.871
   68   2HB   HYP  11          2HB       HYP  11  -2.982  -5.133  21.256
   69   1HD   HYP  11          1HD1      HYP  11   0.438  -4.646  18.883
   70   2HD   HYP  11          2HD1      HYP  11  -0.798  -3.377  18.949
   71    HOD  HYP  11           HD2      HYP  11   0.905  -5.377  20.951
   72    HG   HYP  11           HG       HYP  11  -0.904  -4.022  21.280
   73    H    VAL  12           H        VAL  12  -3.412  -4.620  16.942
   74    HA   VAL  12           HA       VAL  12  -4.695  -2.166  17.893
   75    HB   VAL  12           HB       VAL  12  -4.456  -3.046  15.027
   76   1HG1  VAL  12          1HG1      VAL  12  -4.464  -0.267  16.303
   77   2HG1  VAL  12          2HG1      VAL  12  -5.847  -1.006  15.517
   78   3HG1  VAL  12          3HG1      VAL  12  -4.425  -0.603  14.580
   79   1HG2  VAL  12          1HG2      VAL  12  -2.176  -3.225  15.886
   80   2HG2  VAL  12          2HG2      VAL  12  -2.331  -1.718  16.775
   81   3HG2  VAL  12          3HG2      VAL  12  -2.269  -1.704  15.020
   82    H    CYS  13           H        CYS  13  -5.613  -5.156  16.389
   83    HA   CYS  13           HA       CYS  13  -8.114  -4.526  15.395
   84   1HB   CYS  13          1HB       CYS  13  -8.674  -6.908  15.844
   85   2HB   CYS  13          2HB       CYS  13  -7.143  -7.045  16.653
   86    H    CYS  14           H        CYS  14 -10.123  -5.019  15.906
   87    HA   CYS  14           HA       CYS  14 -11.097  -3.936  18.362
   88   1HB   CYS  14          1HB       CYS  14 -13.335  -4.485  17.337
   89   2HB   CYS  14          2HB       CYS  14 -12.534  -5.453  16.167
   90    H    MET  15           H        MET  15 -12.806  -5.134  19.646
   91    HA   MET  15           HA       MET  15 -11.614  -7.399  20.866
   92   1HB   MET  15          1HB       MET  15 -14.564  -6.990  21.296
   93   2HB   MET  15          2HB       MET  15 -13.564  -5.590  21.601
   94   1HG   MET  15          1HG       MET  15 -13.265  -6.466  23.635
   95   2HG   MET  15          2HG       MET  15 -12.102  -7.516  22.894
   96   1HE   MET  15          1HE       MET  15 -12.024  -9.759  22.895
   97   2HE   MET  15          2HE       MET  15 -13.345 -10.165  21.778
   98   3HE   MET  15          3HE       MET  15 -13.243 -10.911  23.373
   99    H    GLY  16           H        GLY  16 -11.426  -9.289  19.964
  100   1HA   GLY  16          1HA       GLY  16 -13.719 -10.527  18.490
  101   2HA   GLY  16          2HA       GLY  16 -12.569 -11.422  19.483
  102    H    LEU  17           H        LEU  17 -11.166  -8.891  17.710
  103    HA   LEU  17           HA       LEU  17 -10.367 -10.655  15.459
  104   1HB   LEU  17          1HB       LEU  17  -9.560  -8.343  14.576
  105   2HB   LEU  17          2HB       LEU  17 -10.499  -7.699  15.890
  106    HG   LEU  17           HG       LEU  17 -12.518  -8.919  15.008
  107   1HD1  LEU  17          1HD1      LEU  17 -11.780  -6.413  14.648
  108   2HD1  LEU  17          2HD1      LEU  17 -12.992  -7.026  13.535
  109   3HD1  LEU  17          3HD1      LEU  17 -11.305  -6.920  13.059
  110   1HD2  LEU  17          1HD2      LEU  17 -11.732  -8.930  12.244
  111   2HD2  LEU  17          2HD2      LEU  17 -12.267 -10.291  13.208
  112   3HD2  LEU  17          3HD2      LEU  17 -10.558  -9.877  13.120
  113    H    MET  18           H        MET  18  -8.270 -10.966  14.941
  114    HA   MET  18           HA       MET  18  -6.085  -9.903  16.701
  115   1HB   MET  18          1HB       MET  18  -6.655 -12.346  17.279
  116   2HB   MET  18          2HB       MET  18  -5.021 -12.120  16.716
  117   1HG   MET  18          1HG       MET  18  -6.597 -12.616  14.401
  118   2HG   MET  18          2HG       MET  18  -7.084 -13.776  15.592
  119   1HE   MET  18          1HE       MET  18  -4.580 -16.352  15.735
  120   2HE   MET  18          2HE       MET  18  -6.078 -15.643  16.281
  121   3HE   MET  18          3HE       MET  18  -4.545 -15.120  17.004
  122    H    CYS  19           H        CYS  19  -4.368 -11.685  14.704
  123    HA   CYS  19           HA       CYS  19  -4.960 -10.207  12.196
  124   1HB   CYS  19          1HB       CYS  19  -2.147  -9.941  12.946
  125   2HB   CYS  19          2HB       CYS  19  -3.257  -9.091  13.987
  126    H    SER  20           H        SER  20  -4.805 -11.333  10.581
  127    HA   SER  20           HA       SER  20  -3.341 -13.852  10.482
  128   1HB   SER  20          1HB       SER  20  -4.414 -13.659   7.982
  129   2HB   SER  20          2HB       SER  20  -5.431 -12.448   8.778
  130    HG   SER  20           HG       SER  20  -6.442 -14.169   9.449
  131    H    ARG  21           H        ARG  21  -1.479 -12.466  10.923
  132    HA   ARG  21           HA       ARG  21   0.623 -11.746  10.335
  133   1HB   ARG  21          1HB       ARG  21   1.475 -12.172   8.134
  134   2HB   ARG  21          2HB       ARG  21  -0.108 -12.100   7.390
  135   1HG   ARG  21          1HG       ARG  21  -0.767 -14.194   8.315
  136   2HG   ARG  21          2HG       ARG  21   0.492 -14.153   9.535
  137   1HD   ARG  21          1HD       ARG  21   1.155 -15.758   7.810
  138   2HD   ARG  21          2HD       ARG  21   2.207 -14.355   7.643
  139    HE   ARG  21           HE       ARG  21  -0.055 -13.922   5.992
  140   1HH1  ARG  21          1HH1      ARG  21   2.719 -16.389   4.569
  141   2HH1  ARG  21          2HH1      ARG  21   2.644 -16.079   6.270
  142   1HH2  ARG  21          1HH2      ARG  21   0.024 -14.299   3.831
  143   2HH2  ARG  21          2HH2      ARG  21   1.217 -15.367   3.167
  144    H    GLY  22           H        GLY  22  -2.065 -10.024   9.835
  145   1HA   GLY  22          1HA       GLY  22  -0.792  -7.813   8.301
  146   2HA   GLY  22          2HA       GLY  22  -1.100  -7.497   9.996
  147    H    LYS  23           H        LYS  23  -3.606  -9.362   9.192
  148    HA   LYS  23           HA       LYS  23  -5.364  -7.021   8.597
  149   1HB   LYS  23          1HB       LYS  23  -6.660  -8.695   7.068
  150   2HB   LYS  23          2HB       LYS  23  -5.212  -9.678   7.128
  151   1HG   LYS  23          1HG       LYS  23  -3.905  -7.652   6.301
  152   2HG   LYS  23          2HG       LYS  23  -5.437  -6.827   6.083
  153   1HD   LYS  23          1HD       LYS  23  -6.158  -8.600   4.477
  154   2HD   LYS  23          2HD       LYS  23  -4.656  -9.459   4.751
  155   1HE   LYS  23          1HE       LYS  23  -4.523  -8.102   2.673
  156   2HE   LYS  23          2HE       LYS  23  -3.363  -7.530   3.863
  157   1HZ   LYS  23          1HZ       LYS  23  -5.970  -6.301   3.990
  158   2HZ   LYS  23          2HZ       LYS  23  -5.088  -5.966   2.580
  159   3HZ   LYS  23          3HZ       LYS  23  -4.428  -5.600   4.103
  160    H    CYS  24           H        CYS  24  -7.112  -7.038   9.993
  161    HA   CYS  24           HA       CYS  24  -7.178  -8.984  12.050
  162   1HB   CYS  24          1HB       CYS  24  -9.355  -7.948  12.692
  163   2HB   CYS  24          2HB       CYS  24  -9.381  -7.075  11.201
  164    H    VAL  25           H        VAL  25  -8.362 -10.595  12.548
  165    HA   VAL  25           HA       VAL  25 -10.459 -11.635  10.796
  166    HB   VAL  25           HB       VAL  25  -9.231 -13.896  11.035
  167   1HG1  VAL  25          1HG1      VAL  25  -8.191 -13.661   8.850
  168   2HG1  VAL  25          2HG1      VAL  25  -7.956 -11.935   9.078
  169   3HG1  VAL  25          3HG1      VAL  25  -9.573 -12.584   8.859
  170   1HG2  VAL  25          1HG2      VAL  25  -7.384 -12.627  12.499
  171   2HG2  VAL  25          2HG2      VAL  25  -6.640 -12.378  10.938
  172   3HG2  VAL  25          3HG2      VAL  25  -6.966 -14.007  11.514
  173    H    SER  26           H        SER  26 -11.802 -12.873  11.878
  174    HA   SER  26           HA       SER  26 -12.117 -12.562  14.661
  175   1HB   SER  26          1HB       SER  26 -13.702 -14.746  14.111
  176   2HB   SER  26          2HB       SER  26 -13.479 -14.061  12.493
  177    HG   SER  26           HG       SER  26 -14.056 -12.038  13.343
  178    H    ILE  27           H        ILE  27 -11.173 -13.446  16.210
  179    HA   ILE  27           HA       ILE  27  -9.145 -15.420  16.174
  180    HB   ILE  27           HB       ILE  27  -9.356 -15.385  18.585
  181   1HG1  ILE  27          1HG1      ILE  27 -12.054 -14.226  18.023
  182   2HG1  ILE  27          2HG1      ILE  27 -11.188 -13.474  19.343
  183   1HG2  ILE  27          1HG2      ILE  27  -9.497 -12.546  18.478
  184   2HG2  ILE  27          2HG2      ILE  27  -8.939 -13.041  16.896
  185   3HG2  ILE  27          3HG2      ILE  27  -8.073 -13.550  18.333
  186   1HD1  ILE  27          1HD1      ILE  27 -12.366 -15.272  20.328
  187   2HD1  ILE  27          2HD1      ILE  27 -10.700 -15.823  20.211
  188   3HD1  ILE  27          3HD1      ILE  27 -11.895 -16.396  19.063
  189    H    TYR  28           H        TYR  28 -12.493 -15.536  16.620
  190    HA   TYR  28           HA       TYR  28 -12.963 -18.113  17.676
  191   1HB   TYR  28          1HB       TYR  28 -15.240 -17.811  16.891
  192   2HB   TYR  28          2HB       TYR  28 -14.736 -16.734  15.601
  193    HD1  TYR  28           HD1      TYR  28 -14.946 -17.020  19.323
  194    HD2  TYR  28           HD2      TYR  28 -14.500 -14.385  16.008
  195    HE1  TYR  28           HE1      TYR  28 -15.200 -15.091  20.811
  196    HE2  TYR  28           HE2      TYR  28 -14.751 -12.465  17.494
  197    HH   TYR  28           HH       TYR  28 -14.388 -11.976  19.939
  198    H    GLY  29           H        GLY  29 -12.947 -17.075  14.300
  199   1HA   GLY  29          1HA       GLY  29 -12.680 -18.255  12.303
  200   2HA   GLY  29          2HA       GLY  29 -13.083 -19.721  13.197
  201    H    GLU  30           H        GLU  30 -10.516 -17.344  13.578
  202    HA   GLU  30           HA       GLU  30  -8.451 -19.349  13.922
  203   1HB   GLU  30          1HB       GLU  30  -8.537 -17.452  11.526
  204   2HB   GLU  30          2HB       GLU  30  -8.557 -19.201  11.471
  205   1HG   GLU  30          1HG       GLU  30  -6.315 -19.207  11.369
  206   2HG   GLU  30          2HG       GLU  30  -6.258 -18.570  13.004
  Start of MODEL   10
    1   1H    SER   1          1H        SER   1 -12.391   4.781  18.305
    2   2H    SER   1          2H        SER   1 -11.127   3.953  19.081
    3   3H    SER   1          3H        SER   1 -12.614   3.177  18.817
    4    HA   SER   1           HA       SER   1 -12.289   3.241  16.452
    5   1HB   SER   1          1HB       SER   1 -10.030   4.010  15.575
    6   2HB   SER   1          2HB       SER   1  -9.645   4.606  17.200
    7    HG   SER   1           HG       SER   1 -11.708   5.395  15.450
    8    H    CYS   2           H        CYS   2 -11.546   1.377  15.596
    9    HA   CYS   2           HA       CYS   2  -9.353  -0.150  16.811
   10   1HB   CYS   2          1HB       CYS   2 -11.402  -0.653  18.210
   11   2HB   CYS   2          2HB       CYS   2 -10.636  -2.029  17.475
   12    H    SER   3           H        SER   3  -8.665  -1.872  15.543
   13    HA   SER   3           HA       SER   3  -9.245  -1.591  12.694
   14   1HB   SER   3          1HB       SER   3  -7.383  -3.644  12.867
   15   2HB   SER   3          2HB       SER   3  -7.137  -2.871  14.425
   16    HG   SER   3           HG       SER   3  -6.967  -0.889  13.380
   17    H    GLY   4           H        GLY   4 -11.211  -2.445  12.167
   18   1HA   GLY   4          1HA       GLY   4 -13.007  -3.967  12.107
   19   2HA   GLY   4          2HA       GLY   4 -12.204  -4.877  13.359
   20    H    ARG   5           H        ARG   5 -13.153  -6.482  11.502
   21    HA   ARG   5           HA       ARG   5 -11.159  -8.087  10.587
   22   1HB   ARG   5          1HB       ARG   5 -12.878  -8.695   8.666
   23   2HB   ARG   5          2HB       ARG   5 -13.919  -7.547   9.489
   24   1HG   ARG   5          1HG       ARG   5 -13.605  -8.828  11.620
   25   2HG   ARG   5          2HG       ARG   5 -12.578  -9.970  10.771
   26   1HD   ARG   5          1HD       ARG   5 -14.399 -10.736   9.406
   27   2HD   ARG   5          2HD       ARG   5 -15.463  -9.441   9.964
   28    HE   ARG   5           HE       ARG   5 -15.038 -10.524  12.311
   29   1HH1  ARG   5          1HH1      ARG   5 -16.138 -13.744  12.329
   30   2HH1  ARG   5          2HH1      ARG   5 -15.778 -12.337  13.278
   31   1HH2  ARG   5          1HH2      ARG   5 -15.280 -12.282   9.306
   32   2HH2  ARG   5          2HH2      ARG   5 -15.874 -13.697  10.106
   33    H    ASP   6           H        ASP   6  -9.632  -8.069   9.316
   34    HA   ASP   6           HA       ASP   6  -8.389  -7.924   7.332
   35   1HB   ASP   6          1HB       ASP   6 -10.056  -5.621   6.275
   36   2HB   ASP   6          2HB       ASP   6 -10.706  -7.250   6.220
   37    H    SER   7           H        SER   7  -8.930  -5.438   9.540
   38    HA   SER   7           HA       SER   7  -7.060  -3.505   8.411
   39   1HB   SER   7          1HB       SER   7  -7.491  -2.322  10.608
   40   2HB   SER   7          2HB       SER   7  -8.417  -3.746  11.115
   41    HG   SER   7           HG       SER   7  -8.856  -2.285   8.737
   42    H    ARG   8           H        ARG   8  -5.125  -2.779   9.419
   43    HA   ARG   8           HA       ARG   8  -3.237  -4.810   9.923
   44   1HB   ARG   8          1HB       ARG   8  -2.708  -2.556   9.011
   45   2HB   ARG   8          2HB       ARG   8  -1.662  -2.979  10.341
   46   1HG   ARG   8          1HG       ARG   8  -4.162  -1.470  11.079
   47   2HG   ARG   8          2HG       ARG   8  -2.987  -0.583  10.135
   48   1HD   ARG   8          1HD       ARG   8  -2.062  -2.157  12.551
   49   2HD   ARG   8          2HD       ARG   8  -2.749  -0.551  12.752
   50    HE   ARG   8           HE       ARG   8  -0.919  -0.084  10.807
   51   1HH1  ARG   8          1HH1      ARG   8   2.072  -0.225  12.438
   52   2HH1  ARG   8          2HH1      ARG   8   1.203   0.361  11.059
   53   1HH2  ARG   8          1HH2      ARG   8  -0.707  -1.832  13.805
   54   2HH2  ARG   8          2HH2      ARG   8   0.974  -1.481  14.010
   55    H    CYS   9           H        CYS   9  -2.514  -5.788  11.686
   56    HA   CYS   9           HA       CYS   9  -2.786  -4.756  14.364
   57   1HB   CYS   9          1HB       CYS   9  -4.905  -5.603  14.368
   58   2HB   CYS   9          2HB       CYS   9  -4.054  -7.057  14.820
   59    HA   HYP  10           HA       HYP  10  -3.141  -6.079  16.319
   60   1HB   HYP  10          1HB       HYP  10  -3.428  -8.177  17.131
   61   2HB   HYP  10          2HB       HYP  10  -2.268  -7.680  18.359
   62   1HD   HYP  10          1HD1      HYP  10  -0.525  -8.807  14.746
   63   2HD   HYP  10          2HD1      HYP  10   0.372  -7.743  15.857
   64    HOD  HYP  10           HD2      HYP  10  -1.491 -10.317  15.537
   65    HG   HYP  10           HG       HYP  10  -0.626  -9.166  17.524
   66    HA   HYP  11           HA       HYP  11  -3.392  -6.215  18.936
   67   1HB   HYP  11          1HB       HYP  11  -2.338  -6.318  21.039
   68   2HB   HYP  11          2HB       HYP  11  -3.210  -4.824  21.317
   69   1HD   HYP  11          1HD1      HYP  11   0.306  -4.443  19.069
   70   2HD   HYP  11          2HD1      HYP  11  -0.926  -3.168  19.018
   71    HOD  HYP  11           HD2      HYP  11  -0.417  -5.777  22.031
   72    HG   HYP  11           HG       HYP  11  -1.147  -3.690  21.366
   73    H    VAL  12           H        VAL  12  -3.435  -4.494  16.974
   74    HA   VAL  12           HA       VAL  12  -4.741  -1.997  17.748
   75    HB   VAL  12           HB       VAL  12  -4.433  -3.068  14.962
   76   1HG1  VAL  12          1HG1      VAL  12  -5.856  -1.037  15.192
   77   2HG1  VAL  12          2HG1      VAL  12  -4.370  -0.623  14.368
   78   3HG1  VAL  12          3HG1      VAL  12  -4.572  -0.218  16.063
   79   1HG2  VAL  12          1HG2      VAL  12  -2.380  -1.601  16.688
   80   2HG2  VAL  12          2HG2      VAL  12  -2.254  -1.667  14.938
   81   3HG2  VAL  12          3HG2      VAL  12  -2.170  -3.146  15.875
   82    H    CYS  13           H        CYS  13  -5.661  -5.081  16.421
   83    HA   CYS  13           HA       CYS  13  -8.160  -4.377  15.392
   84   1HB   CYS  13          1HB       CYS  13  -8.774  -6.727  15.750
   85   2HB   CYS  13          2HB       CYS  13  -7.305  -6.952  16.652
   86    H    CYS  14           H        CYS  14 -10.137  -5.025  15.928
   87    HA   CYS  14           HA       CYS  14 -11.167  -3.875  18.330
   88   1HB   CYS  14          1HB       CYS  14 -13.368  -4.573  17.309
   89   2HB   CYS  14          2HB       CYS  14 -12.497  -5.607  16.253
   90    H    MET  15           H        MET  15 -12.733  -5.076  19.742
   91    HA   MET  15           HA       MET  15 -11.408  -7.254  21.011
   92   1HB   MET  15          1HB       MET  15 -14.335  -6.462  21.365
   93   2HB   MET  15          2HB       MET  15 -13.014  -5.569  22.086
   94   1HG   MET  15          1HG       MET  15 -12.654  -7.127  23.689
   95   2HG   MET  15          2HG       MET  15 -12.825  -8.469  22.600
   96   1HE   MET  15          1HE       MET  15 -14.594 -10.054  22.536
   97   2HE   MET  15          2HE       MET  15 -15.562  -8.899  21.590
   98   3HE   MET  15          3HE       MET  15 -16.266  -9.749  22.956
   99    H    GLY  16           H        GLY  16 -11.216  -9.176  20.108
  100   1HA   GLY  16          1HA       GLY  16 -13.560 -10.447  18.742
  101   2HA   GLY  16          2HA       GLY  16 -12.442 -11.326  19.785
  102    H    LEU  17           H        LEU  17 -11.147  -8.815  17.839
  103    HA   LEU  17           HA       LEU  17 -10.236 -10.674  15.719
  104   1HB   LEU  17          1HB       LEU  17  -9.510  -8.376  14.729
  105   2HB   LEU  17          2HB       LEU  17 -10.515  -7.700  15.985
  106    HG   LEU  17           HG       LEU  17 -12.426  -9.108  15.152
  107   1HD1  LEU  17          1HD1      LEU  17 -12.803  -7.511  13.181
  108   2HD1  LEU  17          2HD1      LEU  17 -11.150  -6.963  13.398
  109   3HD1  LEU  17          3HD1      LEU  17 -12.335  -6.707  14.656
  110   1HD2  LEU  17          1HD2      LEU  17 -10.415 -10.208  13.521
  111   2HD2  LEU  17          2HD2      LEU  17 -11.307  -9.202  12.417
  112   3HD2  LEU  17          3HD2      LEU  17 -12.142 -10.467  13.305
  113    H    MET  18           H        MET  18  -8.148 -10.975  15.247
  114    HA   MET  18           HA       MET  18  -5.997  -9.784  16.954
  115   1HB   MET  18          1HB       MET  18  -6.502 -12.167  17.680
  116   2HB   MET  18          2HB       MET  18  -4.900 -12.021  16.996
  117   1HG   MET  18          1HG       MET  18  -6.461 -12.609  14.770
  118   2HG   MET  18          2HG       MET  18  -7.225 -13.515  16.028
  119   1HE   MET  18          1HE       MET  18  -6.635 -16.071  16.227
  120   2HE   MET  18          2HE       MET  18  -5.983 -15.120  17.583
  121   3HE   MET  18          3HE       MET  18  -5.003 -16.354  16.829
  122    H    CYS  19           H        CYS  19  -4.352 -11.742  14.963
  123    HA   CYS  19           HA       CYS  19  -4.880 -10.316  12.430
  124   1HB   CYS  19          1HB       CYS  19  -2.081  -9.964  13.206
  125   2HB   CYS  19          2HB       CYS  19  -3.225  -9.108  14.203
  126    H    SER  20           H        SER  20  -4.706 -11.515  10.862
  127    HA   SER  20           HA       SER  20  -3.115 -13.966  10.849
  128   1HB   SER  20          1HB       SER  20  -4.242 -13.964   8.367
  129   2HB   SER  20          2HB       SER  20  -5.320 -12.781   9.119
  130    HG   SER  20           HG       SER  20  -6.219 -14.521   9.882
  131    H    ARG  21           H        ARG  21  -1.300 -12.454  11.140
  132    HA   ARG  21           HA       ARG  21   0.768 -11.776  10.408
  133   1HB   ARG  21          1HB       ARG  21  -0.095 -13.322   8.262
  134   2HB   ARG  21          2HB       ARG  21   1.479 -12.594   8.384
  135   1HG   ARG  21          1HG       ARG  21   0.992 -10.846   6.908
  136   2HG   ARG  21          2HG       ARG  21  -0.743 -10.976   7.124
  137   1HD   ARG  21          1HD       ARG  21   0.770 -13.295   5.894
  138   2HD   ARG  21          2HD       ARG  21   0.320 -11.902   4.907
  139    HE   ARG  21           HE       ARG  21  -1.899 -12.809   6.482
  140   1HH1  ARG  21          1HH1      ARG  21  -1.335 -14.360   2.867
  141   2HH1  ARG  21          2HH1      ARG  21  -0.033 -13.539   3.662
  142   1HH2  ARG  21          1HH2      ARG  21  -3.554 -13.852   5.521
  143   2HH2  ARG  21          2HH2      ARG  21  -3.375 -14.544   3.940
  144    H    GLY  22           H        GLY  22  -2.056 -10.079   9.994
  145   1HA   GLY  22          1HA       GLY  22  -0.759  -7.731   8.704
  146   2HA   GLY  22          2HA       GLY  22  -1.260  -7.552  10.378
  147    H    LYS  23           H        LYS  23  -3.553  -9.453   9.571
  148    HA   LYS  23           HA       LYS  23  -5.420  -7.312   8.681
  149   1HB   LYS  23          1HB       LYS  23  -6.547  -9.057   7.195
  150   2HB   LYS  23          2HB       LYS  23  -5.174 -10.110   7.486
  151   1HG   LYS  23          1HG       LYS  23  -3.702  -8.187   6.600
  152   2HG   LYS  23          2HG       LYS  23  -5.178  -7.403   6.097
  153   1HD   LYS  23          1HD       LYS  23  -4.790 -10.285   5.258
  154   2HD   LYS  23          2HD       LYS  23  -3.716  -9.120   4.525
  155   1HE   LYS  23          1HE       LYS  23  -5.342  -8.584   3.048
  156   2HE   LYS  23          2HE       LYS  23  -6.324  -7.955   4.355
  157   1HZ   LYS  23          1HZ       LYS  23  -6.535 -10.711   4.468
  158   2HZ   LYS  23          2HZ       LYS  23  -6.700 -10.280   2.832
  159   3HZ   LYS  23          3HZ       LYS  23  -7.708  -9.577   4.000
  160    H    CYS  24           H        CYS  24  -7.092  -7.310  10.091
  161    HA   CYS  24           HA       CYS  24  -7.158  -9.137  12.256
  162   1HB   CYS  24          1HB       CYS  24  -9.333  -8.073  12.821
  163   2HB   CYS  24          2HB       CYS  24  -9.379  -7.332  11.258
  164    H    VAL  25           H        VAL  25  -8.214 -10.776  12.791
  165    HA   VAL  25           HA       VAL  25 -10.362 -11.987  11.222
  166    HB   VAL  25           HB       VAL  25  -9.001 -14.183  11.526
  167   1HG1  VAL  25          1HG1      VAL  25  -9.583 -13.152   9.298
  168   2HG1  VAL  25          2HG1      VAL  25  -8.054 -14.009   9.261
  169   3HG1  VAL  25          3HG1      VAL  25  -8.073 -12.255   9.348
  170   1HG2  VAL  25          1HG2      VAL  25  -6.501 -12.592  11.083
  171   2HG2  VAL  25          2HG2      VAL  25  -6.717 -14.139  11.891
  172   3HG2  VAL  25          3HG2      VAL  25  -7.104 -12.652  12.721
  173    H    SER  26           H        SER  26 -11.553 -13.316  12.545
  174    HA   SER  26           HA       SER  26 -11.603 -12.729  15.302
  175   1HB   SER  26          1HB       SER  26 -13.386 -13.830  13.571
  176   2HB   SER  26          2HB       SER  26 -13.568 -13.945  15.315
  177    HG   SER  26           HG       SER  26 -12.581 -15.847  13.509
  178    H    ILE  27           H        ILE  27 -10.873 -13.627  17.025
  179    HA   ILE  27           HA       ILE  27  -8.497 -15.029  17.207
  180    HB   ILE  27           HB       ILE  27  -9.545 -15.735  19.582
  181   1HG1  ILE  27          1HG1      ILE  27 -11.253 -13.282  19.160
  182   2HG1  ILE  27          2HG1      ILE  27 -11.261 -14.431  20.460
  183   1HG2  ILE  27          1HG2      ILE  27  -7.732 -14.087  19.248
  184   2HG2  ILE  27          2HG2      ILE  27  -8.888 -13.478  20.425
  185   3HG2  ILE  27          3HG2      ILE  27  -8.916 -12.871  18.777
  186   1HD1  ILE  27          1HD1      ILE  27 -13.203 -14.899  19.252
  187   2HD1  ILE  27          2HD1      ILE  27 -12.067 -16.163  18.813
  188   3HD1  ILE  27          3HD1      ILE  27 -12.406 -14.846  17.697
  189    H    TYR  28           H        TYR  28 -11.587 -16.246  16.596
  190    HA   TYR  28           HA       TYR  28 -11.010 -19.039  17.309
  191   1HB   TYR  28          1HB       TYR  28 -13.269 -19.454  16.280
  192   2HB   TYR  28          2HB       TYR  28 -13.324 -17.793  15.723
  193    HD1  TYR  28           HD1      TYR  28 -12.268 -19.286  19.028
  194    HD2  TYR  28           HD2      TYR  28 -14.945 -16.659  16.997
  195    HE1  TYR  28           HE1      TYR  28 -13.193 -18.572  21.165
  196    HE2  TYR  28           HE2      TYR  28 -15.868 -15.953  19.148
  197    HH   TYR  28           HH       TYR  28 -15.267 -17.603  22.050
  198    H    GLY  29           H        GLY  29 -11.564 -17.180  14.360
  199   1HA   GLY  29          1HA       GLY  29 -10.531 -19.274  12.637
  200   2HA   GLY  29          2HA       GLY  29  -9.510 -17.833  12.755
  201    H    GLU  30           H        GLU  30 -12.984 -18.320  12.752
  202    HA   GLU  30           HA       GLU  30 -13.308 -16.951  10.149
  203   1HB   GLU  30          1HB       GLU  30 -15.402 -18.279  11.948
  204   2HB   GLU  30          2HB       GLU  30 -14.463 -19.126  10.743
  205   1HG   GLU  30          1HG       GLU  30 -16.421 -18.634   9.543
  206   2HG   GLU  30          2HG       GLU  30 -15.367 -17.318   9.055
  Start of MODEL   11
    1   1H    SER   1          1H        SER   1 -12.592   4.653  18.910
    2   2H    SER   1          2H        SER   1 -11.345   3.738  19.613
    3   3H    SER   1          3H        SER   1 -12.851   3.019  19.298
    4    HA   SER   1           HA       SER   1 -12.540   3.128  16.979
    5   1HB   SER   1          1HB       SER   1 -10.435   4.162  16.022
    6   2HB   SER   1          2HB       SER   1  -9.992   4.699  17.653
    7    HG   SER   1           HG       SER   1 -12.003   5.763  17.760
    8    H    CYS   2           H        CYS   2 -11.599   1.423  15.972
    9    HA   CYS   2           HA       CYS   2  -9.246   0.045  17.043
   10   1HB   CYS   2          1HB       CYS   2 -11.048  -0.773  18.529
   11   2HB   CYS   2          2HB       CYS   2 -10.401  -2.041  17.530
   12    H    SER   3           H        SER   3  -8.655  -1.817  15.743
   13    HA   SER   3           HA       SER   3  -9.179  -1.343  12.904
   14   1HB   SER   3          1HB       SER   3  -7.349  -3.456  13.039
   15   2HB   SER   3          2HB       SER   3  -7.107  -2.695  14.602
   16    HG   SER   3           HG       SER   3  -6.812  -0.742  13.625
   17    H    GLY   4           H        GLY   4 -11.177  -2.119  12.338
   18   1HA   GLY   4          1HA       GLY   4 -12.993  -3.596  12.155
   19   2HA   GLY   4          2HA       GLY   4 -12.228  -4.597  13.367
   20    H    ARG   5           H        ARG   5 -13.194  -6.079  11.426
   21    HA   ARG   5           HA       ARG   5 -11.220  -7.661  10.432
   22   1HB   ARG   5          1HB       ARG   5 -13.042  -7.989   8.419
   23   2HB   ARG   5          2HB       ARG   5 -14.024  -7.089   9.560
   24   1HG   ARG   5          1HG       ARG   5 -13.531  -8.720  11.336
   25   2HG   ARG   5          2HG       ARG   5 -12.405  -9.565  10.288
   26   1HD   ARG   5          1HD       ARG   5 -14.452  -9.902   8.707
   27   2HD   ARG   5          2HD       ARG   5 -15.416  -9.480  10.118
   28    HE   ARG   5           HE       ARG   5 -14.305 -11.371  11.331
   29   1HH1  ARG   5          1HH1      ARG   5 -13.803 -13.097   7.820
   30   2HH1  ARG   5          2HH1      ARG   5 -14.092 -11.393   7.843
   31   1HH2  ARG   5          1HH2      ARG   5 -13.957 -13.371  11.289
   32   2HH2  ARG   5          2HH2      ARG   5 -13.724 -14.278   9.822
   33    H    ASP   6           H        ASP   6  -9.705  -7.619   9.194
   34    HA   ASP   6           HA       ASP   6  -8.434  -7.428   7.228
   35   1HB   ASP   6          1HB       ASP   6  -9.979  -5.022   6.235
   36   2HB   ASP   6          2HB       ASP   6 -10.732  -6.603   6.143
   37    H    SER   7           H        SER   7  -8.895  -5.049   9.561
   38    HA   SER   7           HA       SER   7  -6.990  -3.096   8.538
   39   1HB   SER   7          1HB       SER   7  -7.396  -2.010  10.774
   40   2HB   SER   7          2HB       SER   7  -8.263  -3.479  11.257
   41    HG   SER   7           HG       SER   7  -9.773  -3.127   9.887
   42    H    ARG   8           H        ARG   8  -5.030  -2.476   9.540
   43    HA   ARG   8           HA       ARG   8  -3.156  -4.539   9.899
   44   1HB   ARG   8          1HB       ARG   8  -2.582  -2.265   9.139
   45   2HB   ARG   8          2HB       ARG   8  -1.569  -2.729  10.479
   46   1HG   ARG   8          1HG       ARG   8  -4.110  -1.257  11.173
   47   2HG   ARG   8          2HG       ARG   8  -2.898  -0.338  10.319
   48   1HD   ARG   8          1HD       ARG   8  -1.605  -1.865  12.451
   49   2HD   ARG   8          2HD       ARG   8  -2.950  -0.940  13.101
   50    HE   ARG   8           HE       ARG   8  -1.662   0.886  11.493
   51   1HH1  ARG   8          1HH1      ARG   8   0.927   1.804  13.530
   52   2HH1  ARG   8          2HH1      ARG   8  -0.063   2.236  12.176
   53   1HH2  ARG   8          1HH2      ARG   8  -0.688  -1.234  14.062
   54   2HH2  ARG   8          2HH2      ARG   8   0.568  -0.175  14.606
   55    H    CYS   9           H        CYS   9  -2.473  -5.694  11.589
   56    HA   CYS   9           HA       CYS   9  -2.677  -4.811  14.326
   57   1HB   CYS   9          1HB       CYS   9  -4.833  -5.568  14.295
   58   2HB   CYS   9          2HB       CYS   9  -4.042  -7.076  14.666
   59    HA   HYP  10           HA       HYP  10  -3.088  -6.234  16.199
   60   1HB   HYP  10          1HB       HYP  10  -3.429  -8.366  16.901
   61   2HB   HYP  10          2HB       HYP  10  -2.250  -7.966  18.146
   62   1HD   HYP  10          1HD1      HYP  10  -0.565  -8.953  14.468
   63   2HD   HYP  10          2HD1      HYP  10   0.373  -7.976  15.623
   64    HOD  HYP  10           HD2      HYP  10  -2.740 -10.392  16.506
   65    HG   HYP  10           HG       HYP  10  -0.655  -9.450  17.227
   66    HA   HYP  11           HA       HYP  11  -3.320  -6.519  18.812
   67   1HB   HYP  11          1HB       HYP  11  -2.228  -6.785  20.879
   68   2HB   HYP  11          2HB       HYP  11  -3.063  -5.297  21.276
   69   1HD   HYP  11          1HD1      HYP  11   0.418  -4.824  18.988
   70   2HD   HYP  11          2HD1      HYP  11  -0.797  -3.534  19.046
   71    HOD  HYP  11           HD2      HYP  11  -0.246  -6.314  21.887
   72    HG   HYP  11           HG       HYP  11  -0.973  -4.209  21.361
   73    H    VAL  12           H        VAL  12  -3.405  -4.688  16.960
   74    HA   VAL  12           HA       VAL  12  -4.649  -2.230  17.955
   75    HB   VAL  12           HB       VAL  12  -4.393  -3.039  15.077
   76   1HG1  VAL  12          1HG1      VAL  12  -4.271  -0.525  14.756
   77   2HG1  VAL  12          2HG1      VAL  12  -4.497  -0.325  16.483
   78   3HG1  VAL  12          3HG1      VAL  12  -5.772  -1.021  15.503
   79   1HG2  VAL  12          1HG2      VAL  12  -2.124  -3.253  15.960
   80   2HG2  VAL  12          2HG2      VAL  12  -2.290  -1.779  16.901
   81   3HG2  VAL  12          3HG2      VAL  12  -2.189  -1.701  15.151
   82    H    CYS  13           H        CYS  13  -5.659  -5.159  16.348
   83    HA   CYS  13           HA       CYS  13  -8.133  -4.313  15.402
   84   1HB   CYS  13          1HB       CYS  13  -8.812  -6.661  15.563
   85   2HB   CYS  13          2HB       CYS  13  -7.363  -6.997  16.474
   86    H    CYS  14           H        CYS  14 -10.129  -4.926  15.881
   87    HA   CYS  14           HA       CYS  14 -11.149  -3.886  18.323
   88   1HB   CYS  14          1HB       CYS  14 -13.364  -4.592  17.253
   89   2HB   CYS  14          2HB       CYS  14 -12.423  -5.426  16.078
   90    H    MET  15           H        MET  15 -12.854  -5.087  19.573
   91    HA   MET  15           HA       MET  15 -11.648  -7.332  20.852
   92   1HB   MET  15          1HB       MET  15 -14.591  -6.754  21.267
   93   2HB   MET  15          2HB       MET  15 -13.461  -5.479  21.662
   94   1HG   MET  15          1HG       MET  15 -12.187  -7.064  23.088
   95   2HG   MET  15          2HG       MET  15 -13.350  -8.310  22.733
   96   1HE   MET  15          1HE       MET  15 -16.015  -7.813  23.200
   97   2HE   MET  15          2HE       MET  15 -16.272  -7.713  24.929
   98   3HE   MET  15          3HE       MET  15 -15.177  -8.934  24.300
   99    H    GLY  16           H        GLY  16 -11.435  -9.145  19.799
  100   1HA   GLY  16          1HA       GLY  16 -13.778 -10.390  18.407
  101   2HA   GLY  16          2HA       GLY  16 -12.648 -11.304  19.408
  102    H    LEU  17           H        LEU  17 -11.229  -8.775  17.627
  103    HA   LEU  17           HA       LEU  17 -10.406 -10.558  15.397
  104   1HB   LEU  17          1HB       LEU  17  -9.636  -8.239  14.501
  105   2HB   LEU  17          2HB       LEU  17 -10.635  -7.588  15.775
  106    HG   LEU  17           HG       LEU  17 -12.548  -9.014  14.856
  107   1HD1  LEU  17          1HD1      LEU  17 -11.308  -6.643  13.411
  108   2HD1  LEU  17          2HD1      LEU  17 -12.656  -6.631  14.534
  109   3HD1  LEU  17          3HD1      LEU  17 -12.870  -7.283  12.932
  110   1HD2  LEU  17          1HD2      LEU  17 -10.504  -9.955  13.196
  111   2HD2  LEU  17          2HD2      LEU  17 -11.347  -8.852  12.150
  112   3HD2  LEU  17          3HD2      LEU  17 -12.222 -10.185  12.887
  113    H    MET  18           H        MET  18  -8.316 -10.842  14.885
  114    HA   MET  18           HA       MET  18  -6.153  -9.752  16.648
  115   1HB   MET  18          1HB       MET  18  -6.562 -12.088  17.365
  116   2HB   MET  18          2HB       MET  18  -5.057 -12.040  16.482
  117   1HG   MET  18          1HG       MET  18  -6.491 -12.644  14.401
  118   2HG   MET  18          2HG       MET  18  -7.728 -13.041  15.544
  119   1HE   MET  18          1HE       MET  18  -4.993 -14.241  13.397
  120   2HE   MET  18          2HE       MET  18  -4.081 -15.409  14.334
  121   3HE   MET  18          3HE       MET  18  -3.942 -13.708  14.731
  122    H    CYS  19           H        CYS  19  -4.588 -11.734  14.567
  123    HA   CYS  19           HA       CYS  19  -4.995 -10.171  12.098
  124   1HB   CYS  19          1HB       CYS  19  -2.196  -9.973  12.900
  125   2HB   CYS  19          2HB       CYS  19  -3.293  -9.119  13.949
  126    H    SER  20           H        SER  20  -4.842 -11.324  10.500
  127    HA   SER  20           HA       SER  20  -3.330 -13.834  10.468
  128   1HB   SER  20          1HB       SER  20  -4.533 -13.857   8.049
  129   2HB   SER  20          2HB       SER  20  -5.538 -12.594   8.777
  130    HG   SER  20           HG       SER  20  -5.790 -15.137   9.175
  131    H    ARG  21           H        ARG  21  -1.483 -12.455  10.735
  132    HA   ARG  21           HA       ARG  21   0.593 -11.859   9.953
  133   1HB   ARG  21          1HB       ARG  21  -0.472 -11.815   7.095
  134   2HB   ARG  21          2HB       ARG  21  -0.099 -13.326   7.909
  135   1HG   ARG  21          1HG       ARG  21   2.182 -12.203   8.453
  136   2HG   ARG  21          2HG       ARG  21   1.731 -11.029   7.226
  137   1HD   ARG  21          1HD       ARG  21   1.834 -14.041   6.719
  138   2HD   ARG  21          2HD       ARG  21   3.113 -12.913   6.266
  139    HE   ARG  21           HE       ARG  21   0.674 -11.928   5.204
  140   1HH1  ARG  21          1HH1      ARG  21   0.914 -13.477   2.170
  141   2HH1  ARG  21          2HH1      ARG  21   0.166 -12.217   3.093
  142   1HH2  ARG  21          1HH2      ARG  21   2.841 -14.611   4.851
  143   2HH2  ARG  21          2HH2      ARG  21   2.450 -14.851   3.180
  144    H    GLY  22           H        GLY  22  -2.159 -10.030   9.605
  145   1HA   GLY  22          1HA       GLY  22  -0.783  -7.665   8.445
  146   2HA   GLY  22          2HA       GLY  22  -1.206  -7.552  10.143
  147    H    LYS  23           H        LYS  23  -3.644  -9.290   9.185
  148    HA   LYS  23           HA       LYS  23  -5.384  -6.943   8.578
  149   1HB   LYS  23          1HB       LYS  23  -6.659  -8.542   7.004
  150   2HB   LYS  23          2HB       LYS  23  -5.271  -9.611   7.107
  151   1HG   LYS  23          1HG       LYS  23  -3.864  -7.532   6.372
  152   2HG   LYS  23          2HG       LYS  23  -5.395  -6.796   5.955
  153   1HD   LYS  23          1HD       LYS  23  -4.659  -9.558   4.904
  154   2HD   LYS  23          2HD       LYS  23  -4.042  -8.119   4.120
  155   1HE   LYS  23          1HE       LYS  23  -6.427  -7.286   3.913
  156   2HE   LYS  23          2HE       LYS  23  -6.962  -8.852   4.517
  157   1HZ   LYS  23          1HZ       LYS  23  -5.411  -8.319   2.058
  158   2HZ   LYS  23          2HZ       LYS  23  -7.012  -8.874   2.166
  159   3HZ   LYS  23          3HZ       LYS  23  -5.731  -9.873   2.664
  160    H    CYS  24           H        CYS  24  -7.097  -6.971   9.971
  161    HA   CYS  24           HA       CYS  24  -7.207  -8.904  12.026
  162   1HB   CYS  24          1HB       CYS  24  -9.372  -7.821  12.640
  163   2HB   CYS  24          2HB       CYS  24  -9.406  -7.022  11.106
  164    H    VAL  25           H        VAL  25  -8.314 -10.564  12.486
  165    HA   VAL  25           HA       VAL  25 -10.420 -11.630  10.746
  166    HB   VAL  25           HB       VAL  25  -9.185 -13.870  10.979
  167   1HG1  VAL  25          1HG1      VAL  25  -7.902 -11.842   9.093
  168   2HG1  VAL  25          2HG1      VAL  25  -9.465 -12.587   8.806
  169   3HG1  VAL  25          3HG1      VAL  25  -8.017 -13.574   8.839
  170   1HG2  VAL  25          1HG2      VAL  25  -6.964 -13.978  11.616
  171   2HG2  VAL  25          2HG2      VAL  25  -7.366 -12.521  12.492
  172   3HG2  VAL  25          3HG2      VAL  25  -6.579 -12.400  10.940
  173    H    SER  26           H        SER  26 -11.728 -12.937  11.841
  174    HA   SER  26           HA       SER  26 -12.086 -12.553  14.593
  175   1HB   SER  26          1HB       SER  26 -13.728 -14.556  14.273
  176   2HB   SER  26          2HB       SER  26 -13.216 -14.491  12.581
  177    HG   SER  26           HG       SER  26 -13.780 -12.321  12.528
  178    H    ILE  27           H        ILE  27 -11.169 -13.370  16.241
  179    HA   ILE  27           HA       ILE  27  -9.094 -15.290  16.311
  180    HB   ILE  27           HB       ILE  27  -9.442 -15.268  18.730
  181   1HG1  ILE  27          1HG1      ILE  27 -12.063 -14.025  17.997
  182   2HG1  ILE  27          2HG1      ILE  27 -11.253 -13.320  19.377
  183   1HG2  ILE  27          1HG2      ILE  27  -9.118 -12.724  19.002
  184   2HG2  ILE  27          2HG2      ILE  27  -9.387 -12.609  17.271
  185   3HG2  ILE  27          3HG2      ILE  27  -8.042 -13.550  17.895
  186   1HD1  ILE  27          1HD1      ILE  27 -12.161 -16.166  19.014
  187   2HD1  ILE  27          2HD1      ILE  27 -12.495 -15.058  20.333
  188   3HD1  ILE  27          3HD1      ILE  27 -10.900 -15.777  20.167
  189    H    TYR  28           H        TYR  28 -12.456 -15.464  16.566
  190    HA   TYR  28           HA       TYR  28 -12.897 -18.075  17.610
  191   1HB   TYR  28          1HB       TYR  28 -15.171 -17.802  16.770
  192   2HB   TYR  28          2HB       TYR  28 -14.662 -16.618  15.581
  193    HD1  TYR  28           HD1      TYR  28 -15.146 -17.187  19.222
  194    HD2  TYR  28           HD2      TYR  28 -14.330 -14.301  16.200
  195    HE1  TYR  28           HE1      TYR  28 -15.509 -15.380  20.836
  196    HE2  TYR  28           HE2      TYR  28 -14.692 -12.505  17.808
  197    HH   TYR  28           HH       TYR  28 -14.606 -12.174  20.239
  198    H    GLY  29           H        GLY  29 -12.815 -16.877  14.298
  199   1HA   GLY  29          1HA       GLY  29 -12.419 -17.902  12.253
  200   2HA   GLY  29          2HA       GLY  29 -13.029 -19.384  12.981
  201    H    GLU  30           H        GLU  30 -10.247 -17.344  13.679
  202    HA   GLU  30           HA       GLU  30  -8.416 -19.685  13.360
  203   1HB   GLU  30          1HB       GLU  30  -6.787 -17.502  12.932
  204   2HB   GLU  30          2HB       GLU  30  -8.296 -16.879  12.303
  205   1HG   GLU  30          1HG       GLU  30  -8.461 -18.609  10.653
  206   2HG   GLU  30          2HG       GLU  30  -7.269 -19.615  11.460
  Start of MODEL   12
    1   1H    SER   1          1H        SER   1 -10.931   5.480  16.563
    2   2H    SER   1          2H        SER   1  -9.811   4.534  15.704
    3   3H    SER   1          3H        SER   1  -9.716   4.635  17.397
    4    HA   SER   1           HA       SER   1 -11.702   3.430  17.692
    5   1HB   SER   1          1HB       SER   1 -13.034   2.644  15.689
    6   2HB   SER   1          2HB       SER   1 -11.958   3.580  14.636
    7    HG   SER   1           HG       SER   1 -13.597   4.510  16.747
    8    H    CYS   2           H        CYS   2 -11.838   1.146  17.553
    9    HA   CYS   2           HA       CYS   2  -9.313  -0.180  17.345
   10   1HB   CYS   2          1HB       CYS   2 -11.213  -0.892  18.797
   11   2HB   CYS   2          2HB       CYS   2 -10.521  -2.182  17.860
   12    H    SER   3           H        SER   3  -8.682  -1.873  15.945
   13    HA   SER   3           HA       SER   3  -9.292  -1.355  13.140
   14   1HB   SER   3          1HB       SER   3  -7.446  -3.451  13.165
   15   2HB   SER   3          2HB       SER   3  -7.179  -2.753  14.751
   16    HG   SER   3           HG       SER   3  -7.202  -0.679  13.685
   17    H    GLY   4           H        GLY   4 -11.252  -2.149  12.525
   18   1HA   GLY   4          1HA       GLY   4 -13.063  -3.633  12.330
   19   2HA   GLY   4          2HA       GLY   4 -12.299  -4.639  13.532
   20    H    ARG   5           H        ARG   5 -13.307  -6.003  11.460
   21    HA   ARG   5           HA       ARG   5 -11.392  -7.675  10.520
   22   1HB   ARG   5          1HB       ARG   5 -13.041  -7.912   8.427
   23   2HB   ARG   5          2HB       ARG   5 -14.037  -6.823   9.373
   24   1HG   ARG   5          1HG       ARG   5 -14.003  -8.387  11.280
   25   2HG   ARG   5          2HG       ARG   5 -12.882  -9.442  10.434
   26   1HD   ARG   5          1HD       ARG   5 -15.604  -8.759   9.263
   27   2HD   ARG   5          2HD       ARG   5 -15.362 -10.127  10.348
   28    HE   ARG   5           HE       ARG   5 -13.386 -10.288   8.325
   29   1HH1  ARG   5          1HH1      ARG   5 -17.027 -11.542   7.341
   30   2HH1  ARG   5          2HH1      ARG   5 -16.833 -10.467   8.684
   31   1HH2  ARG   5          1HH2      ARG   5 -13.616 -11.643   6.621
   32   2HH2  ARG   5          2HH2      ARG   5 -15.183 -12.218   6.156
   33    H    ASP   6           H        ASP   6  -9.800  -7.695   9.427
   34    HA   ASP   6           HA       ASP   6  -8.279  -7.554   7.721
   35   1HB   ASP   6          1HB       ASP   6  -9.716  -5.377   6.232
   36   2HB   ASP   6          2HB       ASP   6 -10.508  -6.941   6.342
   37    H    SER   7           H        SER   7  -8.911  -5.135   9.792
   38    HA   SER   7           HA       SER   7  -7.138  -3.080   8.701
   39   1HB   SER   7          1HB       SER   7  -7.580  -1.987  10.950
   40   2HB   SER   7          2HB       SER   7  -8.410  -3.481  11.425
   41    HG   SER   7           HG       SER   7  -9.901  -3.186   9.983
   42    H    ARG   8           H        ARG   8  -5.131  -2.401   9.670
   43    HA   ARG   8           HA       ARG   8  -3.242  -4.431  10.060
   44   1HB   ARG   8          1HB       ARG   8  -1.948  -2.307  11.140
   45   2HB   ARG   8          2HB       ARG   8  -3.297  -1.450  10.429
   46   1HG   ARG   8          1HG       ARG   8  -1.278  -3.236   9.021
   47   2HG   ARG   8          2HG       ARG   8  -1.517  -1.511   8.793
   48   1HD   ARG   8          1HD       ARG   8  -3.963  -2.222   8.042
   49   2HD   ARG   8          2HD       ARG   8  -3.234  -3.806   7.836
   50    HE   ARG   8           HE       ARG   8  -2.066  -3.004   5.971
   51   1HH1  ARG   8          1HH1      ARG   8  -2.976   0.811   6.612
   52   2HH1  ARG   8          2HH1      ARG   8  -3.370  -0.373   7.812
   53   1HH2  ARG   8          1HH2      ARG   8  -1.556  -1.525   4.441
   54   2HH2  ARG   8          2HH2      ARG   8  -1.934   0.149   4.673
   55    H    CYS   9           H        CYS   9  -2.550  -5.532  11.687
   56    HA   CYS   9           HA       CYS   9  -2.746  -4.727  14.454
   57   1HB   CYS   9          1HB       CYS   9  -4.891  -5.530  14.409
   58   2HB   CYS   9          2HB       CYS   9  -4.054  -7.018  14.766
   59    HA   HYP  10           HA       HYP  10  -3.101  -6.197  16.309
   60   1HB   HYP  10          1HB       HYP  10  -3.363  -8.339  17.006
   61   2HB   HYP  10          2HB       HYP  10  -2.178  -7.904  18.232
   62   1HD   HYP  10          1HD1      HYP  10  -0.572  -8.845  14.506
   63   2HD   HYP  10          2HD1      HYP  10   0.398  -7.852  15.620
   64    HOD  HYP  10           HD2      HYP  10  -2.830  -9.728  15.717
   65    HG   HYP  10           HG       HYP  10  -0.530  -9.303  17.278
   66    HA   HYP  11           HA       HYP  11  -3.296  -6.486  18.912
   67   1HB   HYP  11          1HB       HYP  11  -2.181  -6.731  20.969
   68   2HB   HYP  11          2HB       HYP  11  -3.042  -5.260  21.378
   69   1HD   HYP  11          1HD1      HYP  11   0.403  -4.697  19.054
   70   2HD   HYP  11          2HD1      HYP  11  -0.847  -3.442  19.137
   71    HOD  HYP  11           HD2      HYP  11   0.857  -5.495  21.050
   72    HG   HYP  11           HG       HYP  11  -0.969  -4.139  21.450
   73    H    VAL  12           H        VAL  12  -3.429  -4.662  17.070
   74    HA   VAL  12           HA       VAL  12  -4.714  -2.223  18.055
   75    HB   VAL  12           HB       VAL  12  -4.456  -3.058  15.188
   76   1HG1  VAL  12          1HG1      VAL  12  -5.856  -1.039  15.634
   77   2HG1  VAL  12          2HG1      VAL  12  -4.388  -0.583  14.794
   78   3HG1  VAL  12          3HG1      VAL  12  -4.532  -0.308  16.524
   79   1HG2  VAL  12          1HG2      VAL  12  -2.350  -1.707  16.946
   80   2HG2  VAL  12          2HG2      VAL  12  -2.262  -1.737  15.193
   81   3HG2  VAL  12          3HG2      VAL  12  -2.179  -3.235  16.098
   82    H    CYS  13           H        CYS  13  -5.662  -5.188  16.475
   83    HA   CYS  13           HA       CYS  13  -8.170  -4.405  15.547
   84   1HB   CYS  13          1HB       CYS  13  -8.773  -6.802  15.737
   85   2HB   CYS  13          2HB       CYS  13  -7.261  -7.066  16.560
   86    H    CYS  14           H        CYS  14 -10.144  -5.042  16.046
   87    HA   CYS  14           HA       CYS  14 -11.150  -4.096  18.533
   88   1HB   CYS  14          1HB       CYS  14 -13.371  -4.746  17.442
   89   2HB   CYS  14          2HB       CYS  14 -12.439  -5.566  16.250
   90    H    MET  15           H        MET  15 -12.822  -5.363  19.759
   91    HA   MET  15           HA       MET  15 -11.596  -7.643  20.943
   92   1HB   MET  15          1HB       MET  15 -14.181  -7.769  21.889
   93   2HB   MET  15          2HB       MET  15 -14.161  -6.124  21.289
   94   1HG   MET  15          1HG       MET  15 -12.256  -5.574  22.666
   95   2HG   MET  15          2HG       MET  15 -12.015  -7.240  23.115
   96   1HE   MET  15          1HE       MET  15 -14.422  -7.991  25.851
   97   2HE   MET  15          2HE       MET  15 -12.772  -8.238  25.299
   98   3HE   MET  15          3HE       MET  15 -14.150  -8.590  24.230
   99    H    GLY  16           H        GLY  16 -11.376  -9.471  19.913
  100   1HA   GLY  16          1HA       GLY  16 -13.689 -10.667  18.438
  101   2HA   GLY  16          2HA       GLY  16 -12.549 -11.606  19.407
  102    H    LEU  17           H        LEU  17 -11.269  -8.957  17.665
  103    HA   LEU  17           HA       LEU  17 -10.380 -10.645  15.398
  104   1HB   LEU  17          1HB       LEU  17  -9.669  -8.293  14.565
  105   2HB   LEU  17          2HB       LEU  17 -10.639  -7.693  15.879
  106    HG   LEU  17           HG       LEU  17 -12.565  -9.107  14.970
  107   1HD1  LEU  17          1HD1      LEU  17 -12.812  -6.754  14.720
  108   2HD1  LEU  17          2HD1      LEU  17 -12.886  -7.280  13.061
  109   3HD1  LEU  17          3HD1      LEU  17 -11.391  -6.618  13.697
  110   1HD2  LEU  17          1HD2      LEU  17 -11.501  -8.814  12.222
  111   2HD2  LEU  17          2HD2      LEU  17 -12.319 -10.186  12.944
  112   3HD2  LEU  17          3HD2      LEU  17 -10.589  -9.954  13.170
  113    H    MET  18           H        MET  18  -8.286 -10.924  14.903
  114    HA   MET  18           HA       MET  18  -6.138  -9.808  16.672
  115   1HB   MET  18          1HB       MET  18  -6.601 -12.206  17.300
  116   2HB   MET  18          2HB       MET  18  -5.012 -12.031  16.599
  117   1HG   MET  18          1HG       MET  18  -6.467 -12.569  14.357
  118   2HG   MET  18          2HG       MET  18  -7.392 -13.431  15.536
  119   1HE   MET  18          1HE       MET  18  -7.005 -15.648  16.296
  120   2HE   MET  18          2HE       MET  18  -5.754 -15.066  17.414
  121   3HE   MET  18          3HE       MET  18  -5.464 -16.467  16.390
  122    H    CYS  19           H        CYS  19  -4.474 -11.676  14.603
  123    HA   CYS  19           HA       CYS  19  -4.940 -10.089  12.146
  124   1HB   CYS  19          1HB       CYS  19  -2.142  -9.876  12.936
  125   2HB   CYS  19          2HB       CYS  19  -3.247  -9.061  14.011
  126    H    SER  20           H        SER  20  -4.806 -11.210  10.527
  127    HA   SER  20           HA       SER  20  -3.247 -13.687  10.389
  128   1HB   SER  20          1HB       SER  20  -4.491 -13.605   7.962
  129   2HB   SER  20          2HB       SER  20  -5.532 -12.453   8.808
  130    HG   SER  20           HG       SER  20  -6.383 -14.233   9.549
  131    H    ARG  21           H        ARG  21  -1.408 -12.278  10.650
  132    HA   ARG  21           HA       ARG  21   0.642 -11.632   9.819
  133   1HB   ARG  21          1HB       ARG  21  -0.532 -11.454   7.005
  134   2HB   ARG  21          2HB       ARG  21  -0.087 -12.997   7.719
  135   1HG   ARG  21          1HG       ARG  21   2.193 -11.902   8.198
  136   2HG   ARG  21          2HG       ARG  21   1.654 -10.595   7.160
  137   1HD   ARG  21          1HD       ARG  21   1.088 -12.704   5.510
  138   2HD   ARG  21          2HD       ARG  21   2.457 -13.379   6.392
  139    HE   ARG  21           HE       ARG  21   3.228 -10.789   5.649
  140   1HH1  ARG  21          1HH1      ARG  21   3.138 -13.407   2.661
  141   2HH1  ARG  21          2HH1      ARG  21   2.215 -13.714   4.093
  142   1HH2  ARG  21          1HH2      ARG  21   4.405 -10.378   3.842
  143   2HH2  ARG  21          2HH2      ARG  21   4.393 -11.489   2.513
  144    H    GLY  22           H        GLY  22  -2.169  -9.834   9.578
  145   1HA   GLY  22          1HA       GLY  22  -0.813  -7.377   8.584
  146   2HA   GLY  22          2HA       GLY  22  -1.302  -7.369  10.270
  147    H    LYS  23           H        LYS  23  -3.656  -9.084   9.335
  148    HA   LYS  23           HA       LYS  23  -5.457  -6.818   8.656
  149   1HB   LYS  23          1HB       LYS  23  -6.649  -8.572   7.101
  150   2HB   LYS  23          2HB       LYS  23  -5.135  -9.450   7.163
  151   1HG   LYS  23          1HG       LYS  23  -3.955  -7.377   6.330
  152   2HG   LYS  23          2HG       LYS  23  -5.517  -6.596   6.169
  153   1HD   LYS  23          1HD       LYS  23  -6.189  -8.571   4.649
  154   2HD   LYS  23          2HD       LYS  23  -4.507  -9.048   4.678
  155   1HE   LYS  23          1HE       LYS  23  -3.934  -7.452   3.154
  156   2HE   LYS  23          2HE       LYS  23  -4.772  -6.187   4.037
  157   1HZ   LYS  23          1HZ       LYS  23  -6.245  -8.169   2.431
  158   2HZ   LYS  23          2HZ       LYS  23  -5.605  -6.752   1.745
  159   3HZ   LYS  23          3HZ       LYS  23  -6.753  -6.650   2.995
  160    H    CYS  24           H        CYS  24  -7.195  -6.920  10.039
  161    HA   CYS  24           HA       CYS  24  -7.228  -8.894  12.068
  162   1HB   CYS  24          1HB       CYS  24  -9.414  -7.909  12.717
  163   2HB   CYS  24          2HB       CYS  24  -9.496  -7.073  11.211
  164    H    VAL  25           H        VAL  25  -8.339 -10.556  12.532
  165    HA   VAL  25           HA       VAL  25 -10.410 -11.647  10.773
  166    HB   VAL  25           HB       VAL  25  -9.127 -13.870  10.997
  167   1HG1  VAL  25          1HG1      VAL  25  -8.040 -13.559   8.830
  168   2HG1  VAL  25          2HG1      VAL  25  -7.895 -11.829   9.093
  169   3HG1  VAL  25          3HG1      VAL  25  -9.475 -12.551   8.838
  170   1HG2  VAL  25          1HG2      VAL  25  -6.559 -12.321  10.934
  171   2HG2  VAL  25          2HG2      VAL  25  -6.880 -13.931  11.562
  172   3HG2  VAL  25          3HG2      VAL  25  -7.324 -12.520  12.491
  173    H    SER  26           H        SER  26 -11.717 -12.954  11.850
  174    HA   SER  26           HA       SER  26 -12.028 -12.655  14.639
  175   1HB   SER  26          1HB       SER  26 -13.770 -14.549  14.261
  176   2HB   SER  26          2HB       SER  26 -13.309 -14.404  12.551
  177    HG   SER  26           HG       SER  26 -13.731 -12.198  12.674
  178    H    ILE  27           H        ILE  27 -11.072 -13.562  16.182
  179    HA   ILE  27           HA       ILE  27  -9.115 -15.597  16.125
  180    HB   ILE  27           HB       ILE  27  -9.342 -15.593  18.556
  181   1HG1  ILE  27          1HG1      ILE  27 -11.980 -14.312  17.976
  182   2HG1  ILE  27          2HG1      ILE  27 -11.099 -13.636  19.327
  183   1HG2  ILE  27          1HG2      ILE  27  -9.078 -12.977  18.826
  184   2HG2  ILE  27          2HG2      ILE  27  -9.215 -12.956  17.077
  185   3HG2  ILE  27          3HG2      ILE  27  -7.930 -13.869  17.852
  186   1HD1  ILE  27          1HD1      ILE  27 -11.440 -16.629  19.035
  187   2HD1  ILE  27          2HD1      ILE  27 -12.617 -15.622  19.858
  188   3HD1  ILE  27          3HD1      ILE  27 -10.959 -15.714  20.448
  189    H    TYR  28           H        TYR  28 -12.479 -15.611  16.626
  190    HA   TYR  28           HA       TYR  28 -13.004 -18.200  17.611
  191   1HB   TYR  28          1HB       TYR  28 -15.280 -17.868  16.739
  192   2HB   TYR  28          2HB       TYR  28 -14.722 -16.624  15.634
  193    HD1  TYR  28           HD1      TYR  28 -14.300 -14.369  16.422
  194    HD2  TYR  28           HD2      TYR  28 -15.265 -17.438  19.212
  195    HE1  TYR  28           HE1      TYR  28 -14.621 -12.686  18.162
  196    HE2  TYR  28           HE2      TYR  28 -15.585 -15.749  20.954
  197    HH   TYR  28           HH       TYR  28 -14.582 -13.236  21.284
  198    H    GLY  29           H        GLY  29 -12.966 -17.068  14.265
  199   1HA   GLY  29          1HA       GLY  29 -12.738 -18.187  12.237
  200   2HA   GLY  29          2HA       GLY  29 -13.286 -19.643  13.065
  201    H    GLU  30           H        GLU  30 -10.527 -17.494  13.475
  202    HA   GLU  30           HA       GLU  30  -8.647 -19.710  13.783
  203   1HB   GLU  30          1HB       GLU  30  -7.217 -18.169  12.041
  204   2HB   GLU  30          2HB       GLU  30  -8.808 -17.870  11.402
  205   1HG   GLU  30          1HG       GLU  30  -8.504 -20.745  11.895
  206   2HG   GLU  30          2HG       GLU  30  -7.153 -20.164  10.945
  Start of MODEL   13
    1   1H    SER   1          1H        SER   1 -12.403   4.778  18.747
    2   2H    SER   1          2H        SER   1 -11.043   4.119  19.520
    3   3H    SER   1          3H        SER   1 -12.407   3.150  19.231
    4    HA   SER   1           HA       SER   1 -12.074   3.434  16.833
    5   1HB   SER   1          1HB       SER   1 -10.759   5.540  16.844
    6   2HB   SER   1          2HB       SER   1  -9.726   4.275  16.162
    7    HG   SER   1           HG       SER   1  -8.910   3.936  18.275
    8    H    CYS   2           H        CYS   2 -11.280   1.638  15.899
    9    HA   CYS   2           HA       CYS   2  -9.063   0.084  16.991
   10   1HB   CYS   2          1HB       CYS   2 -10.945  -0.555  18.511
   11   2HB   CYS   2          2HB       CYS   2 -10.359  -1.889  17.562
   12    H    SER   3           H        SER   3  -8.557  -1.753  15.676
   13    HA   SER   3           HA       SER   3  -9.166  -1.313  12.848
   14   1HB   SER   3          1HB       SER   3  -7.400  -3.473  12.938
   15   2HB   SER   3          2HB       SER   3  -7.085  -2.720  14.490
   16    HG   SER   3           HG       SER   3  -6.803  -0.762  13.485
   17    H    GLY   4           H        GLY   4 -11.151  -2.075  12.261
   18   1HA   GLY   4          1HA       GLY   4 -12.999  -3.499  12.094
   19   2HA   GLY   4          2HA       GLY   4 -12.318  -4.445  13.395
   20    H    ARG   5           H        ARG   5 -13.349  -5.934  11.462
   21    HA   ARG   5           HA       ARG   5 -11.481  -7.738  10.667
   22   1HB   ARG   5          1HB       ARG   5 -13.203  -8.110   8.627
   23   2HB   ARG   5          2HB       ARG   5 -14.155  -6.956   9.544
   24   1HG   ARG   5          1HG       ARG   5 -13.940  -8.393  11.573
   25   2HG   ARG   5          2HG       ARG   5 -12.964  -9.536  10.664
   26   1HD   ARG   5          1HD       ARG   5 -14.908  -9.891   9.105
   27   2HD   ARG   5          2HD       ARG   5 -15.875  -8.832  10.132
   28    HE   ARG   5           HE       ARG   5 -14.689 -10.890  11.747
   29   1HH1  ARG   5          1HH1      ARG   5 -18.086 -11.734   9.904
   30   2HH1  ARG   5          2HH1      ARG   5 -17.132 -10.405   9.337
   31   1HH2  ARG   5          1HH2      ARG   5 -15.829 -12.506  12.460
   32   2HH2  ARG   5          2HH2      ARG   5 -17.335 -12.970  11.726
   33    H    ASP   6           H        ASP   6  -9.904  -7.876   9.564
   34    HA   ASP   6           HA       ASP   6  -8.417  -7.925   7.811
   35   1HB   ASP   6          1HB       ASP   6  -9.824  -5.812   6.201
   36   2HB   ASP   6          2HB       ASP   6 -10.639  -7.355   6.415
   37    H    SER   7           H        SER   7  -8.951  -5.346   9.724
   38    HA   SER   7           HA       SER   7  -7.136  -3.422   8.472
   39   1HB   SER   7          1HB       SER   7  -7.483  -2.206  10.701
   40   2HB   SER   7          2HB       SER   7  -8.430  -3.611  11.215
   41    HG   SER   7           HG       SER   7  -9.900  -2.390  10.263
   42    H    ARG   8           H        ARG   8  -5.104  -2.745   9.381
   43    HA   ARG   8           HA       ARG   8  -3.271  -4.814   9.843
   44   1HB   ARG   8          1HB       ARG   8  -2.743  -2.510   8.994
   45   2HB   ARG   8          2HB       ARG   8  -1.632  -3.063  10.221
   46   1HG   ARG   8          1HG       ARG   8  -4.008  -1.480  11.195
   47   2HG   ARG   8          2HG       ARG   8  -2.822  -0.601  10.257
   48   1HD   ARG   8          1HD       ARG   8  -2.033  -2.342  12.628
   49   2HD   ARG   8          2HD       ARG   8  -2.364  -0.619  12.771
   50    HE   ARG   8           HE       ARG   8  -0.542  -0.647  10.756
   51   1HH1  ARG   8          1HH1      ARG   8   1.111  -2.232  14.003
   52   2HH1  ARG   8          2HH1      ARG   8  -0.612  -2.226  13.850
   53   1HH2  ARG   8          1HH2      ARG   8   1.634  -0.649  10.941
   54   2HH2  ARG   8          2HH2      ARG   8   2.401  -1.327  12.339
   55    H    CYS   9           H        CYS   9  -2.556  -5.876  11.566
   56    HA   CYS   9           HA       CYS   9  -2.738  -4.900  14.271
   57   1HB   CYS   9          1HB       CYS   9  -4.890  -5.650  14.280
   58   2HB   CYS   9          2HB       CYS   9  -4.095  -7.140  14.719
   59    HA   HYP  10           HA       HYP  10  -3.114  -6.231  16.206
   60   1HB   HYP  10          1HB       HYP  10  -3.451  -8.326  17.014
   61   2HB   HYP  10          2HB       HYP  10  -2.251  -7.872  18.218
   62   1HD   HYP  10          1HD1      HYP  10  -0.644  -9.044  14.558
   63   2HD   HYP  10          2HD1      HYP  10   0.330  -8.022  15.643
   64    HOD  HYP  10           HD2      HYP  10  -1.555 -10.621  15.500
   65    HG   HYP  10           HG       HYP  10  -0.671  -9.398  17.342
   66    HA   HYP  11           HA       HYP  11  -3.313  -6.376  18.822
   67   1HB   HYP  11          1HB       HYP  11  -2.187  -6.561  20.886
   68   2HB   HYP  11          2HB       HYP  11  -3.008  -5.051  21.226
   69   1HD   HYP  11          1HD1      HYP  11   0.450  -4.726  18.875
   70   2HD   HYP  11          2HD1      HYP  11  -0.747  -3.418  18.881
   71    HOD  HYP  11           HD2      HYP  11  -0.070  -5.919  21.901
   72    HG   HYP  11           HG       HYP  11  -0.910  -3.973  21.228
   73    H    VAL  12           H        VAL  12  -3.390  -4.647  16.893
   74    HA   VAL  12           HA       VAL  12  -4.565  -2.107  17.754
   75    HB   VAL  12           HB       VAL  12  -4.338  -3.115  14.937
   76   1HG1  VAL  12          1HG1      VAL  12  -4.287  -0.275  16.067
   77   2HG1  VAL  12          2HG1      VAL  12  -5.680  -1.017  15.302
   78   3HG1  VAL  12          3HG1      VAL  12  -4.236  -0.700  14.365
   79   1HG2  VAL  12          1HG2      VAL  12  -2.065  -3.302  15.652
   80   2HG2  VAL  12          2HG2      VAL  12  -2.195  -1.934  16.744
   81   3HG2  VAL  12          3HG2      VAL  12  -2.111  -1.670  15.012
   82    H    CYS  13           H        CYS  13  -5.642  -5.104  16.341
   83    HA   CYS  13           HA       CYS  13  -8.118  -4.298  15.366
   84   1HB   CYS  13          1HB       CYS  13  -8.799  -6.652  15.718
   85   2HB   CYS  13          2HB       CYS  13  -7.294  -6.905  16.557
   86    H    CYS  14           H        CYS  14 -10.109  -4.819  15.877
   87    HA   CYS  14           HA       CYS  14 -11.108  -3.720  18.317
   88   1HB   CYS  14          1HB       CYS  14 -13.346  -4.304  17.206
   89   2HB   CYS  14          2HB       CYS  14 -12.424  -5.149  16.016
   90    H    MET  15           H        MET  15 -12.981  -4.913  19.428
   91    HA   MET  15           HA       MET  15 -11.927  -7.115  20.838
   92   1HB   MET  15          1HB       MET  15 -13.605  -5.567  21.763
   93   2HB   MET  15          2HB       MET  15 -14.152  -7.221  21.899
   94   1HG   MET  15          1HG       MET  15 -15.828  -6.955  20.375
   95   2HG   MET  15          2HG       MET  15 -14.963  -5.792  19.414
   96   1HE   MET  15          1HE       MET  15 -15.869  -2.428  20.679
   97   2HE   MET  15          2HE       MET  15 -15.518  -3.396  19.258
   98   3HE   MET  15          3HE       MET  15 -14.368  -3.331  20.616
   99    H    GLY  16           H        GLY  16 -11.726  -9.118  20.264
  100   1HA   GLY  16          1HA       GLY  16 -13.758 -10.540  18.624
  101   2HA   GLY  16          2HA       GLY  16 -12.542 -11.283  19.656
  102    H    LEU  17           H        LEU  17 -11.403  -8.686  17.756
  103    HA   LEU  17           HA       LEU  17 -10.476 -10.450  15.580
  104   1HB   LEU  17          1HB       LEU  17  -9.764  -8.163  14.650
  105   2HB   LEU  17          2HB       LEU  17 -10.673  -7.473  15.965
  106    HG   LEU  17           HG       LEU  17 -12.656  -8.880  15.192
  107   1HD1  LEU  17          1HD1      LEU  17 -11.487  -6.423  13.877
  108   2HD1  LEU  17          2HD1      LEU  17 -12.990  -6.590  14.774
  109   3HD1  LEU  17          3HD1      LEU  17 -12.901  -7.127  13.121
  110   1HD2  LEU  17          1HD2      LEU  17 -12.577  -9.955  13.126
  111   2HD2  LEU  17          2HD2      LEU  17 -10.845  -9.972  13.438
  112   3HD2  LEU  17          3HD2      LEU  17 -11.530  -8.738  12.421
  113    H    MET  18           H        MET  18  -8.406 -10.857  15.178
  114    HA   MET  18           HA       MET  18  -6.240  -9.646  16.859
  115   1HB   MET  18          1HB       MET  18  -6.770 -11.969  17.690
  116   2HB   MET  18          2HB       MET  18  -5.176 -11.903  16.976
  117   1HG   MET  18          1HG       MET  18  -6.704 -12.592  14.799
  118   2HG   MET  18          2HG       MET  18  -7.587 -13.344  16.091
  119   1HE   MET  18          1HE       MET  18  -5.529 -16.200  17.271
  120   2HE   MET  18          2HE       MET  18  -7.090 -15.418  17.183
  121   3HE   MET  18          3HE       MET  18  -5.761 -14.661  18.088
  122    H    CYS  19           H        CYS  19  -4.690 -11.778  14.889
  123    HA   CYS  19           HA       CYS  19  -5.125 -10.308  12.360
  124   1HB   CYS  19          1HB       CYS  19  -2.308 -10.161  13.116
  125   2HB   CYS  19          2HB       CYS  19  -3.381  -9.224  14.120
  126    H    SER  20           H        SER  20  -5.015 -11.455  10.776
  127    HA   SER  20           HA       SER  20  -3.624 -14.028  10.712
  128   1HB   SER  20          1HB       SER  20  -4.788 -13.893   8.247
  129   2HB   SER  20          2HB       SER  20  -5.761 -12.647   9.042
  130    HG   SER  20           HG       SER  20  -6.475 -14.900   9.292
  131    H    ARG  21           H        ARG  21  -1.719 -12.653  11.044
  132    HA   ARG  21           HA       ARG  21   0.372 -12.060  10.329
  133   1HB   ARG  21          1HB       ARG  21  -0.561 -12.239   7.429
  134   2HB   ARG  21          2HB       ARG  21  -0.219 -13.679   8.376
  135   1HG   ARG  21          1HG       ARG  21   2.030 -12.479   8.935
  136   2HG   ARG  21          2HG       ARG  21   1.628 -11.436   7.581
  137   1HD   ARG  21          1HD       ARG  21   1.760 -14.479   7.349
  138   2HD   ARG  21          2HD       ARG  21   3.079 -13.400   6.898
  139    HE   ARG  21           HE       ARG  21   0.758 -12.469   5.580
  140   1HH1  ARG  21          1HH1      ARG  21   1.112 -14.319   2.733
  141   2HH1  ARG  21          2HH1      ARG  21   0.366 -12.944   3.480
  142   1HH2  ARG  21          1HH2      ARG  21   2.821 -15.253   5.631
  143   2HH2  ARG  21          2HH2      ARG  21   2.522 -15.645   3.972
  144    H    GLY  22           H        GLY  22  -2.323 -10.246   9.836
  145   1HA   GLY  22          1HA       GLY  22  -0.943  -7.979   8.491
  146   2HA   GLY  22          2HA       GLY  22  -1.358  -7.738  10.178
  147    H    LYS  23           H        LYS  23  -3.812  -9.502   9.439
  148    HA   LYS  23           HA       LYS  23  -5.551  -7.220   8.645
  149   1HB   LYS  23          1HB       LYS  23  -6.841  -9.022   7.237
  150   2HB   LYS  23          2HB       LYS  23  -5.367  -9.961   7.342
  151   1HG   LYS  23          1HG       LYS  23  -4.113  -8.000   6.344
  152   2HG   LYS  23          2HG       LYS  23  -5.637  -7.163   6.164
  153   1HD   LYS  23          1HD       LYS  23  -5.460  -8.127   4.050
  154   2HD   LYS  23          2HD       LYS  23  -6.368  -9.382   4.868
  155   1HE   LYS  23          1HE       LYS  23  -4.185 -10.553   5.388
  156   2HE   LYS  23          2HE       LYS  23  -3.352  -9.337   4.429
  157   1HZ   LYS  23          1HZ       LYS  23  -5.615 -10.788   3.262
  158   2HZ   LYS  23          2HZ       LYS  23  -4.097 -11.546   3.365
  159   3HZ   LYS  23          3HZ       LYS  23  -4.265 -10.094   2.500
  160    H    CYS  24           H        CYS  24  -7.259  -7.149  10.061
  161    HA   CYS  24           HA       CYS  24  -7.346  -8.965  12.230
  162   1HB   CYS  24          1HB       CYS  24  -9.513  -7.860  12.792
  163   2HB   CYS  24          2HB       CYS  24  -9.543  -7.126  11.232
  164    H    VAL  25           H        VAL  25  -8.491 -10.574  12.792
  165    HA   VAL  25           HA       VAL  25 -10.611 -11.696  11.119
  166    HB   VAL  25           HB       VAL  25  -9.380 -13.938  11.439
  167   1HG1  VAL  25          1HG1      VAL  25  -8.284 -13.750   9.239
  168   2HG1  VAL  25          2HG1      VAL  25  -8.203 -12.004   9.387
  169   3HG1  VAL  25          3HG1      VAL  25  -9.758 -12.802   9.210
  170   1HG2  VAL  25          1HG2      VAL  25  -6.814 -12.355  11.262
  171   2HG2  VAL  25          2HG2      VAL  25  -7.062 -13.985  11.867
  172   3HG2  VAL  25          3HG2      VAL  25  -7.521 -12.613  12.840
  173    H    SER  26           H        SER  26 -11.944 -12.899  12.272
  174    HA   SER  26           HA       SER  26 -12.154 -12.518  15.077
  175   1HB   SER  26          1HB       SER  26 -14.006 -14.281  14.812
  176   2HB   SER  26          2HB       SER  26 -13.544 -14.346  13.096
  177    HG   SER  26           HG       SER  26 -14.154 -11.988  14.550
  178    H    ILE  27           H        ILE  27 -11.275 -13.565  16.656
  179    HA   ILE  27           HA       ILE  27  -9.188 -15.336  16.582
  180    HB   ILE  27           HB       ILE  27  -9.699 -15.966  18.844
  181   1HG1  ILE  27          1HG1      ILE  27 -11.665 -15.338  20.095
  182   2HG1  ILE  27          2HG1      ILE  27 -12.116 -16.362  18.758
  183   1HG2  ILE  27          1HG2      ILE  27  -9.733 -13.113  17.992
  184   2HG2  ILE  27          2HG2      ILE  27  -8.650 -13.943  19.086
  185   3HG2  ILE  27          3HG2      ILE  27 -10.208 -13.384  19.656
  186   1HD1  ILE  27          1HD1      ILE  27 -12.297 -13.347  18.703
  187   2HD1  ILE  27          2HD1      ILE  27 -13.626 -14.401  19.115
  188   3HD1  ILE  27          3HD1      ILE  27 -12.952 -14.452  17.497
  189    H    TYR  28           H        TYR  28 -12.494 -15.995  16.363
  190    HA   TYR  28           HA       TYR  28 -12.588 -18.818  16.761
  191   1HB   TYR  28          1HB       TYR  28 -14.779 -18.697  15.637
  192   2HB   TYR  28          2HB       TYR  28 -14.383 -17.133  14.953
  193    HD1  TYR  28           HD1      TYR  28 -14.116 -18.606  18.423
  194    HD2  TYR  28           HD2      TYR  28 -15.613 -15.441  15.990
  195    HE1  TYR  28           HE1      TYR  28 -15.027 -17.504  20.407
  196    HE2  TYR  28           HE2      TYR  28 -16.521 -14.347  17.979
  197    HH   TYR  28           HH       TYR  28 -17.304 -15.233  20.371
  198    H    GLY  29           H        GLY  29 -12.652 -17.044  13.687
  199   1HA   GLY  29          1HA       GLY  29 -12.035 -17.665  11.528
  200   2HA   GLY  29          2HA       GLY  29 -12.198 -19.339  12.046
  201    H    GLU  30           H        GLU  30 -10.134 -16.765  13.212
  202    HA   GLU  30           HA       GLU  30  -7.713 -18.401  13.072
  203   1HB   GLU  30          1HB       GLU  30  -6.659 -16.185  12.055
  204   2HB   GLU  30          2HB       GLU  30  -8.275 -15.891  11.474
  205   1HG   GLU  30          1HG       GLU  30  -7.455 -18.659  10.865
  206   2HG   GLU  30          2HG       GLU  30  -6.297 -17.505  10.236
  Start of MODEL   14
    1   1H    SER   1          1H        SER   1 -11.805   5.187  18.399
    2   2H    SER   1          2H        SER   1 -10.172   4.720  18.429
    3   3H    SER   1          3H        SER   1 -11.319   3.857  19.337
    4    HA   SER   1           HA       SER   1 -12.441   3.219  17.265
    5   1HB   SER   1          1HB       SER   1 -11.575   5.088  15.833
    6   2HB   SER   1          2HB       SER   1 -11.085   3.542  15.124
    7    HG   SER   1           HG       SER   1  -9.336   5.013  15.375
    8    H    CYS   2           H        CYS   2 -11.532   1.412  15.887
    9    HA   CYS   2           HA       CYS   2  -9.132   0.064  16.963
   10   1HB   CYS   2          1HB       CYS   2 -10.966  -0.643  18.468
   11   2HB   CYS   2          2HB       CYS   2 -10.361  -1.972  17.522
   12    H    SER   3           H        SER   3  -8.572  -1.846  15.734
   13    HA   SER   3           HA       SER   3  -9.020  -1.460  12.877
   14   1HB   SER   3          1HB       SER   3  -7.377  -3.709  13.126
   15   2HB   SER   3          2HB       SER   3  -7.104  -2.914  14.663
   16    HG   SER   3           HG       SER   3  -5.780  -2.209  12.943
   17    H    GLY   4           H        GLY   4 -11.050  -2.137  12.259
   18   1HA   GLY   4          1HA       GLY   4 -12.967  -3.501  12.113
   19   2HA   GLY   4          2HA       GLY   4 -12.279  -4.511  13.361
   20    H    ARG   5           H        ARG   5 -13.293  -5.995  11.422
   21    HA   ARG   5           HA       ARG   5 -11.382  -7.701  10.524
   22   1HB   ARG   5          1HB       ARG   5 -13.141  -8.011   8.476
   23   2HB   ARG   5          2HB       ARG   5 -14.115  -6.990   9.522
   24   1HG   ARG   5          1HG       ARG   5 -13.818  -8.565  11.395
   25   2HG   ARG   5          2HG       ARG   5 -12.700  -9.533  10.447
   26   1HD   ARG   5          1HD       ARG   5 -14.553 -10.002   8.815
   27   2HD   ARG   5          2HD       ARG   5 -15.663  -9.152   9.894
   28    HE   ARG   5           HE       ARG   5 -14.350 -11.037  11.500
   29   1HH1  ARG   5          1HH1      ARG   5 -17.014 -12.594   8.999
   30   2HH1  ARG   5          2HH1      ARG   5 -16.338 -11.034   8.668
   31   1HH2  ARG   5          1HH2      ARG   5 -15.201 -13.028  11.948
   32   2HH2  ARG   5          2HH2      ARG   5 -16.361 -13.730  10.873
   33    H    ASP   6           H        ASP   6  -9.818  -7.741   9.403
   34    HA   ASP   6           HA       ASP   6  -8.403  -7.723   7.571
   35   1HB   ASP   6          1HB       ASP   6  -9.781  -5.432   6.187
   36   2HB   ASP   6          2HB       ASP   6 -10.622  -6.972   6.265
   37    H    SER   7           H        SER   7  -8.883  -5.227   9.676
   38    HA   SER   7           HA       SER   7  -6.974  -3.319   8.556
   39   1HB   SER   7          1HB       SER   7  -7.356  -2.139  10.763
   40   2HB   SER   7          2HB       SER   7  -8.240  -3.578  11.301
   41    HG   SER   7           HG       SER   7  -9.737  -3.269   9.891
   42    H    ARG   8           H        ARG   8  -4.953  -2.758   9.457
   43    HA   ARG   8           HA       ARG   8  -3.155  -4.867   9.935
   44   1HB   ARG   8          1HB       ARG   8  -1.522  -3.061  10.524
   45   2HB   ARG   8          2HB       ARG   8  -2.847  -1.923  10.662
   46   1HG   ARG   8          1HG       ARG   8  -2.039  -1.536   8.475
   47   2HG   ARG   8          2HG       ARG   8  -3.426  -2.562   8.189
   48   1HD   ARG   8          1HD       ARG   8  -1.870  -4.557   8.048
   49   2HD   ARG   8          2HD       ARG   8  -0.516  -3.467   8.291
   50    HE   ARG   8           HE       ARG   8  -0.920  -2.473   6.156
   51   1HH1  ARG   8          1HH1      ARG   8  -3.650  -5.180   5.183
   52   2HH1  ARG   8          2HH1      ARG   8  -3.144  -5.111   6.826
   53   1HH2  ARG   8          1HH2      ARG   8  -1.550  -2.646   4.094
   54   2HH2  ARG   8          2HH2      ARG   8  -2.729  -3.824   3.622
   55    H    CYS   9           H        CYS   9  -2.554  -5.952  11.686
   56    HA   CYS   9           HA       CYS   9  -2.753  -4.964  14.386
   57   1HB   CYS   9          1HB       CYS   9  -4.951  -5.667  14.359
   58   2HB   CYS   9          2HB       CYS   9  -4.190  -7.174  14.788
   59    HA   HYP  10           HA       HYP  10  -3.202  -6.360  16.304
   60   1HB   HYP  10          1HB       HYP  10  -3.585  -8.461  17.079
   61   2HB   HYP  10          2HB       HYP  10  -2.375  -8.055  18.291
   62   1HD   HYP  10          1HD1      HYP  10  -0.796  -9.192  14.610
   63   2HD   HYP  10          2HD1      HYP  10   0.205  -8.222  15.717
   64    HOD  HYP  10           HD2      HYP  10  -2.115 -11.050  16.556
   65    HG   HYP  10           HG       HYP  10  -0.834  -9.604  17.384
   66    HA   HYP  11           HA       HYP  11  -3.412  -6.550  18.919
   67   1HB   HYP  11          1HB       HYP  11  -2.334  -6.771  20.995
   68   2HB   HYP  11          2HB       HYP  11  -3.102  -5.233  21.335
   69   1HD   HYP  11          1HD1      HYP  11   0.371  -4.946  19.007
   70   2HD   HYP  11          2HD1      HYP  11  -0.816  -3.629  19.049
   71    HOD  HYP  11           HD2      HYP  11  -0.177  -6.793  20.384
   72    HG   HYP  11           HG       HYP  11  -0.956  -4.253  21.388
   73    H    VAL  12           H        VAL  12  -3.465  -4.802  17.005
   74    HA   VAL  12           HA       VAL  12  -4.630  -2.264  17.880
   75    HB   VAL  12           HB       VAL  12  -4.410  -3.240  15.041
   76   1HG1  VAL  12          1HG1      VAL  12  -4.345  -0.427  16.239
   77   2HG1  VAL  12          2HG1      VAL  12  -5.729  -1.139  15.431
   78   3HG1  VAL  12          3HG1      VAL  12  -4.267  -0.804  14.526
   79   1HG2  VAL  12          1HG2      VAL  12  -2.169  -2.026  14.988
   80   2HG2  VAL  12          2HG2      VAL  12  -2.147  -3.470  15.981
   81   3HG2  VAL  12          3HG2      VAL  12  -2.255  -1.889  16.737
   82    H    CYS  13           H        CYS  13  -5.705  -5.251  16.430
   83    HA   CYS  13           HA       CYS  13  -8.178  -4.449  15.453
   84   1HB   CYS  13          1HB       CYS  13  -8.876  -6.790  15.797
   85   2HB   CYS  13          2HB       CYS  13  -7.387  -7.066  16.654
   86    H    CYS  14           H        CYS  14 -10.164  -4.930  15.945
   87    HA   CYS  14           HA       CYS  14 -11.173  -3.804  18.356
   88   1HB   CYS  14          1HB       CYS  14 -13.404  -4.426  17.240
   89   2HB   CYS  14          2HB       CYS  14 -12.469  -5.309  16.099
   90    H    MET  15           H        MET  15 -12.919  -4.913  19.602
   91    HA   MET  15           HA       MET  15 -11.857  -7.208  20.916
   92   1HB   MET  15          1HB       MET  15 -14.734  -6.199  21.100
   93   2HB   MET  15          2HB       MET  15 -13.401  -5.394  21.899
   94   1HG   MET  15          1HG       MET  15 -13.031  -7.143  23.385
   95   2HG   MET  15          2HG       MET  15 -13.723  -8.344  22.336
   96   1HE   MET  15          1HE       MET  15 -15.823  -5.797  25.447
   97   2HE   MET  15          2HE       MET  15 -14.750  -5.084  24.260
   98   3HE   MET  15          3HE       MET  15 -14.132  -6.272  25.434
   99    H    GLY  16           H        GLY  16 -11.726  -9.095  19.882
  100   1HA   GLY  16          1HA       GLY  16 -14.136 -10.167  18.461
  101   2HA   GLY  16          2HA       GLY  16 -13.038 -11.153  19.420
  102    H    LEU  17           H        LEU  17 -11.290  -8.819  17.814
  103    HA   LEU  17           HA       LEU  17 -10.645 -10.568  15.497
  104   1HB   LEU  17          1HB       LEU  17  -9.802  -8.264  14.619
  105   2HB   LEU  17          2HB       LEU  17 -10.780  -7.591  15.889
  106    HG   LEU  17           HG       LEU  17 -12.747  -8.940  14.951
  107   1HD1  LEU  17          1HD1      LEU  17 -12.846  -6.581  14.634
  108   2HD1  LEU  17          2HD1      LEU  17 -12.958  -7.181  13.004
  109   3HD1  LEU  17          3HD1      LEU  17 -11.427  -6.563  13.599
  110   1HD2  LEU  17          1HD2      LEU  17 -12.466 -10.118  13.002
  111   2HD2  LEU  17          2HD2      LEU  17 -10.738  -9.939  13.280
  112   3HD2  LEU  17          3HD2      LEU  17 -11.568  -8.808  12.252
  113    H    MET  18           H        MET  18  -8.542 -10.894  14.997
  114    HA   MET  18           HA       MET  18  -6.366  -9.868  16.766
  115   1HB   MET  18          1HB       MET  18  -7.008 -12.230  17.446
  116   2HB   MET  18          2HB       MET  18  -5.380 -12.143  16.817
  117   1HG   MET  18          1HG       MET  18  -6.896 -12.648  14.537
  118   2HG   MET  18          2HG       MET  18  -7.724 -13.532  15.765
  119   1HE   MET  18          1HE       MET  18  -5.807 -16.608  16.337
  120   2HE   MET  18          2HE       MET  18  -7.380 -15.929  15.972
  121   3HE   MET  18          3HE       MET  18  -6.445 -15.340  17.367
  122    H    CYS  19           H        CYS  19  -4.752 -11.858  14.776
  123    HA   CYS  19           HA       CYS  19  -5.177 -10.324  12.274
  124   1HB   CYS  19          1HB       CYS  19  -2.380 -10.170  13.065
  125   2HB   CYS  19          2HB       CYS  19  -3.475  -9.293  14.097
  126    H    SER  20           H        SER  20  -5.014 -11.366  10.632
  127    HA   SER  20           HA       SER  20  -3.566 -13.899  10.420
  128   1HB   SER  20          1HB       SER  20  -4.734 -13.651   7.974
  129   2HB   SER  20          2HB       SER  20  -5.744 -12.482   8.836
  130    HG   SER  20           HG       SER  20  -6.704 -14.203   9.546
  131    H    ARG  21           H        ARG  21  -1.682 -12.606  10.800
  132    HA   ARG  21           HA       ARG  21   0.410 -11.904  10.093
  133   1HB   ARG  21          1HB       ARG  21   1.055 -12.086   7.780
  134   2HB   ARG  21          2HB       ARG  21  -0.594 -11.974   7.206
  135   1HG   ARG  21          1HG       ARG  21  -1.055 -14.149   8.496
  136   2HG   ARG  21          2HG       ARG  21   0.666 -14.239   8.795
  137   1HD   ARG  21          1HD       ARG  21  -0.752 -14.266   6.083
  138   2HD   ARG  21          2HD       ARG  21   0.124 -15.606   6.802
  139    HE   ARG  21           HE       ARG  21   1.287 -13.321   5.406
  140   1HH1  ARG  21          1HH1      ARG  21   3.538 -15.842   7.489
  141   2HH1  ARG  21          2HH1      ARG  21   1.824 -15.840   7.731
  142   1HH2  ARG  21          1HH2      ARG  21   3.448 -13.309   5.095
  143   2HH2  ARG  21          2HH2      ARG  21   4.473 -14.388   5.981
  144    H    GLY  22           H        GLY  22  -2.295 -10.115   9.848
  145   1HA   GLY  22          1HA       GLY  22  -0.933  -7.744   8.612
  146   2HA   GLY  22          2HA       GLY  22  -1.461  -7.614  10.277
  147    H    LYS  23           H        LYS  23  -3.847  -9.306   9.510
  148    HA   LYS  23           HA       LYS  23  -5.578  -7.066   8.634
  149   1HB   LYS  23          1HB       LYS  23  -6.788  -8.846   7.130
  150   2HB   LYS  23          2HB       LYS  23  -5.316  -9.784   7.272
  151   1HG   LYS  23          1HG       LYS  23  -4.007  -7.899   6.337
  152   2HG   LYS  23          2HG       LYS  23  -5.456  -6.919   6.230
  153   1HD   LYS  23          1HD       LYS  23  -6.413  -8.762   4.698
  154   2HD   LYS  23          2HD       LYS  23  -4.802  -9.452   4.677
  155   1HE   LYS  23          1HE       LYS  23  -5.552  -6.638   3.755
  156   2HE   LYS  23          2HE       LYS  23  -5.078  -7.979   2.725
  157   1HZ   LYS  23          1HZ       LYS  23  -2.918  -7.990   3.755
  158   2HZ   LYS  23          2HZ       LYS  23  -3.375  -6.734   4.803
  159   3HZ   LYS  23          3HZ       LYS  23  -3.262  -6.447   3.133
  160    H    CYS  24           H        CYS  24  -7.319  -7.067  10.024
  161    HA   CYS  24           HA       CYS  24  -7.388  -8.996  12.109
  162   1HB   CYS  24          1HB       CYS  24  -9.537  -7.921  12.754
  163   2HB   CYS  24          2HB       CYS  24  -9.567  -7.075  11.249
  164    H    VAL  25           H        VAL  25  -8.537 -10.603  12.593
  165    HA   VAL  25           HA       VAL  25 -10.680 -11.676  10.924
  166    HB   VAL  25           HB       VAL  25  -9.395 -13.924  11.143
  167   1HG1  VAL  25          1HG1      VAL  25  -9.848 -12.640   8.968
  168   2HG1  VAL  25          2HG1      VAL  25  -8.442 -13.684   8.912
  169   3HG1  VAL  25          3HG1      VAL  25  -8.239 -11.952   9.119
  170   1HG2  VAL  25          1HG2      VAL  25  -6.855 -12.318  10.944
  171   2HG2  VAL  25          2HG2      VAL  25  -7.099 -13.965  11.508
  172   3HG2  VAL  25          3HG2      VAL  25  -7.521 -12.618  12.532
  173    H    SER  26           H        SER  26 -11.920 -13.028  12.144
  174    HA   SER  26           HA       SER  26 -12.129 -12.508  14.876
  175   1HB   SER  26          1HB       SER  26 -13.163 -15.033  13.543
  176   2HB   SER  26          2HB       SER  26 -13.994 -13.460  13.534
  177    HG   SER  26           HG       SER  26 -13.427 -13.596  15.913
  178    H    ILE  27           H        ILE  27 -11.477 -13.345  16.652
  179    HA   ILE  27           HA       ILE  27  -9.066 -14.821  16.873
  180    HB   ILE  27           HB       ILE  27 -10.133 -15.320  19.322
  181   1HG1  ILE  27          1HG1      ILE  27 -11.599 -12.795  18.558
  182   2HG1  ILE  27          2HG1      ILE  27 -11.558 -13.557  20.122
  183   1HG2  ILE  27          1HG2      ILE  27  -9.181 -12.592  18.386
  184   2HG2  ILE  27          2HG2      ILE  27  -8.133 -13.927  18.861
  185   3HG2  ILE  27          3HG2      ILE  27  -9.170 -13.149  20.051
  186   1HD1  ILE  27          1HD1      ILE  27 -12.957 -14.542  17.656
  187   2HD1  ILE  27          2HD1      ILE  27 -13.597 -14.273  19.267
  188   3HD1  ILE  27          3HD1      ILE  27 -12.523 -15.633  18.966
  189    H    TYR  28           H        TYR  28 -12.244 -15.827  16.374
  190    HA   TYR  28           HA       TYR  28 -11.797 -18.635  17.179
  191   1HB   TYR  28          1HB       TYR  28 -14.179 -18.917  16.447
  192   2HB   TYR  28          2HB       TYR  28 -14.205 -17.253  15.904
  193    HD1  TYR  28           HD1      TYR  28 -15.652 -16.105  17.332
  194    HD2  TYR  28           HD2      TYR  28 -12.808 -18.766  19.069
  195    HE1  TYR  28           HE1      TYR  28 -16.310 -15.361  19.567
  196    HE2  TYR  28           HE2      TYR  28 -13.469 -18.016  21.295
  197    HH   TYR  28           HH       TYR  28 -16.233 -16.457  21.968
  198    H    GLY  29           H        GLY  29 -12.605 -16.764  14.319
  199   1HA   GLY  29          1HA       GLY  29 -12.114 -17.064  12.053
  200   2HA   GLY  29          2HA       GLY  29 -12.594 -18.731  12.345
  201    H    GLU  30           H        GLU  30  -9.883 -16.797  13.448
  202    HA   GLU  30           HA       GLU  30  -7.938 -18.647  12.164
  203   1HB   GLU  30          1HB       GLU  30  -7.396 -15.846  13.211
  204   2HB   GLU  30          2HB       GLU  30  -8.061 -16.115  11.616
  205   1HG   GLU  30          1HG       GLU  30  -6.005 -16.517  10.780
  206   2HG   GLU  30          2HG       GLU  30  -5.818 -17.897  11.835
  Start of MODEL   15
    1   1H    SER   1          1H        SER   1  -9.967   4.437  17.753
    2   2H    SER   1          2H        SER   1 -10.936   5.444  16.788
    3   3H    SER   1          3H        SER   1  -9.669   4.559  16.086
    4    HA   SER   1           HA       SER   1 -11.992   3.311  17.420
    5   1HB   SER   1          1HB       SER   1 -12.810   4.547  15.420
    6   2HB   SER   1          2HB       SER   1 -12.764   2.825  15.014
    7    HG   SER   1           HG       SER   1 -11.306   3.281  13.600
    8    H    CYS   2           H        CYS   2 -11.925   1.124  17.408
    9    HA   CYS   2           HA       CYS   2  -9.398  -0.202  17.218
   10   1HB   CYS   2          1HB       CYS   2 -11.316  -0.896  18.660
   11   2HB   CYS   2          2HB       CYS   2 -10.592  -2.192  17.753
   12    H    SER   3           H        SER   3  -8.805  -1.960  15.865
   13    HA   SER   3           HA       SER   3  -9.391  -1.481  13.041
   14   1HB   SER   3          1HB       SER   3  -7.479  -3.509  13.119
   15   2HB   SER   3          2HB       SER   3  -7.260  -2.787  14.700
   16    HG   SER   3           HG       SER   3  -7.318  -0.725  13.627
   17    H    GLY   4           H        GLY   4 -11.300  -2.355  12.395
   18   1HA   GLY   4          1HA       GLY   4 -13.069  -3.892  12.214
   19   2HA   GLY   4          2HA       GLY   4 -12.292  -4.852  13.447
   20    H    ARG   5           H        ARG   5 -13.197  -6.337  11.435
   21    HA   ARG   5           HA       ARG   5 -11.183  -7.914  10.539
   22   1HB   ARG   5          1HB       ARG   5 -12.894  -8.190   8.413
   23   2HB   ARG   5          2HB       ARG   5 -13.929  -7.333   9.539
   24   1HG   ARG   5          1HG       ARG   5 -13.525  -9.039  11.268
   25   2HG   ARG   5          2HG       ARG   5 -12.348  -9.844  10.250
   26   1HD   ARG   5          1HD       ARG   5 -14.907  -9.528   8.833
   27   2HD   ARG   5          2HD       ARG   5 -15.125 -10.387  10.347
   28    HE   ARG   5           HE       ARG   5 -13.702 -11.350   7.998
   29   1HH1  ARG   5          1HH1      ARG   5 -13.300 -13.162  11.516
   30   2HH1  ARG   5          2HH1      ARG   5 -13.958 -11.564  11.451
   31   1HH2  ARG   5          1HH2      ARG   5 -12.848 -13.366   8.056
   32   2HH2  ARG   5          2HH2      ARG   5 -12.690 -14.192   9.573
   33    H    ASP   6           H        ASP   6  -9.641  -7.924   9.355
   34    HA   ASP   6           HA       ASP   6  -8.175  -7.748   7.571
   35   1HB   ASP   6          1HB       ASP   6  -8.695  -6.354   5.589
   36   2HB   ASP   6          2HB       ASP   6 -10.124  -5.728   6.367
   37    H    SER   7           H        SER   7  -8.810  -5.343   9.713
   38    HA   SER   7           HA       SER   7  -7.016  -3.296   8.649
   39   1HB   SER   7          1HB       SER   7  -7.475  -2.217  10.910
   40   2HB   SER   7          2HB       SER   7  -8.323  -3.708  11.353
   41    HG   SER   7           HG       SER   7  -9.804  -3.371   9.945
   42    H    ARG   8           H        ARG   8  -5.012  -2.660   9.558
   43    HA   ARG   8           HA       ARG   8  -3.148  -4.712  10.022
   44   1HB   ARG   8          1HB       ARG   8  -1.761  -2.619  10.980
   45   2HB   ARG   8          2HB       ARG   8  -3.124  -1.717  10.353
   46   1HG   ARG   8          1HG       ARG   8  -1.745  -1.747   8.469
   47   2HG   ARG   8          2HG       ARG   8  -2.725  -3.160   8.158
   48   1HD   ARG   8          1HD       ARG   8  -0.453  -3.954   9.811
   49   2HD   ARG   8          2HD       ARG   8   0.140  -3.039   8.437
   50    HE   ARG   8           HE       ARG   8  -1.080  -5.669   8.368
   51   1HH1  ARG   8          1HH1      ARG   8  -0.702  -3.533   5.042
   52   2HH1  ARG   8          2HH1      ARG   8  -0.554  -2.747   6.577
   53   1HH2  ARG   8          1HH2      ARG   8  -1.276  -6.676   6.441
   54   2HH2  ARG   8          2HH2      ARG   8  -1.121  -5.789   4.962
   55    H    CYS   9           H        CYS   9  -2.477  -5.766  11.752
   56    HA   CYS   9           HA       CYS   9  -2.711  -4.786  14.459
   57   1HB   CYS   9          1HB       CYS   9  -4.870  -5.575  14.434
   58   2HB   CYS   9          2HB       CYS   9  -4.054  -7.052  14.867
   59    HA   HYP  10           HA       HYP  10  -3.119  -6.163  16.387
   60   1HB   HYP  10          1HB       HYP  10  -3.398  -8.254  17.225
   61   2HB   HYP  10          2HB       HYP  10  -2.201  -7.762  18.418
   62   1HD   HYP  10          1HD1      HYP  10  -0.570  -8.913  14.766
   63   2HD   HYP  10          2HD1      HYP  10   0.379  -7.871  15.852
   64    HOD  HYP  10           HD2      HYP  10  -2.866  -9.672  15.930
   65    HG   HYP  10           HG       HYP  10  -0.596  -9.256  17.550
   66    HA   HYP  11           HA       HYP  11  -3.319  -6.315  19.020
   67   1HB   HYP  11          1HB       HYP  11  -2.207  -6.435  21.089
   68   2HB   HYP  11          2HB       HYP  11  -3.076  -4.948  21.410
   69   1HD   HYP  11          1HD1      HYP  11   0.370  -4.510  19.065
   70   2HD   HYP  11          2HD1      HYP  11  -0.879  -3.251  19.069
   71    HOD  HYP  11           HD2      HYP  11  -0.181  -5.817  22.061
   72    HG   HYP  11           HG       HYP  11  -1.011  -3.812  21.419
   73    H    VAL  12           H        VAL  12  -3.473  -4.592  17.075
   74    HA   VAL  12           HA       VAL  12  -4.785  -2.121  17.937
   75    HB   VAL  12           HB       VAL  12  -4.531  -3.083  15.103
   76   1HG1  VAL  12          1HG1      VAL  12  -4.502  -0.644  14.593
   77   2HG1  VAL  12          2HG1      VAL  12  -4.576  -0.272  16.307
   78   3HG1  VAL  12          3HG1      VAL  12  -5.937  -1.043  15.514
   79   1HG2  VAL  12          1HG2      VAL  12  -2.426  -1.642  16.790
   80   2HG2  VAL  12          2HG2      VAL  12  -2.342  -1.769  15.040
   81   3HG2  VAL  12          3HG2      VAL  12  -2.251  -3.214  16.027
   82    H    CYS  13           H        CYS  13  -5.699  -5.163  16.494
   83    HA   CYS  13           HA       CYS  13  -8.210  -4.470  15.529
   84   1HB   CYS  13          1HB       CYS  13  -8.782  -6.856  15.819
   85   2HB   CYS  13          2HB       CYS  13  -7.292  -7.067  16.695
   86    H    CYS  14           H        CYS  14 -10.171  -5.142  16.031
   87    HA   CYS  14           HA       CYS  14 -11.233  -4.089  18.461
   88   1HB   CYS  14          1HB       CYS  14 -13.427  -4.821  17.346
   89   2HB   CYS  14          2HB       CYS  14 -12.450  -5.643  16.195
   90    H    MET  15           H        MET  15 -12.905  -5.322  19.705
   91    HA   MET  15           HA       MET  15 -11.685  -7.565  20.978
   92   1HB   MET  15          1HB       MET  15 -14.554  -6.538  21.207
   93   2HB   MET  15          2HB       MET  15 -13.195  -5.921  22.123
   94   1HG   MET  15          1HG       MET  15 -12.950  -8.571  22.700
   95   2HG   MET  15          2HG       MET  15 -14.664  -8.490  22.413
   96   1HE   MET  15          1HE       MET  15 -11.812  -6.560  24.300
   97   2HE   MET  15          2HE       MET  15 -11.880  -8.241  24.885
   98   3HE   MET  15          3HE       MET  15 -12.304  -6.908  25.945
   99    H    GLY  16           H        GLY  16 -11.474  -9.402  19.913
  100   1HA   GLY  16          1HA       GLY  16 -13.823 -10.591  18.479
  101   2HA   GLY  16          2HA       GLY  16 -12.714 -11.534  19.474
  102    H    LEU  17           H        LEU  17 -11.172  -9.038  17.814
  103    HA   LEU  17           HA       LEU  17 -10.321 -10.783  15.566
  104   1HB   LEU  17          1HB       LEU  17  -9.600  -8.446  14.676
  105   2HB   LEU  17          2HB       LEU  17 -10.629  -7.818  15.929
  106    HG   LEU  17           HG       LEU  17 -12.523  -9.247  14.980
  107   1HD1  LEU  17          1HD1      LEU  17 -12.806  -7.517  13.025
  108   2HD1  LEU  17          2HD1      LEU  17 -11.277  -6.855  13.574
  109   3HD1  LEU  17          3HD1      LEU  17 -12.670  -6.873  14.640
  110   1HD2  LEU  17          1HD2      LEU  17 -12.249 -10.372  12.995
  111   2HD2  LEU  17          2HD2      LEU  17 -10.532 -10.254  13.354
  112   3HD2  LEU  17          3HD2      LEU  17 -11.279  -9.090  12.291
  113    H    MET  18           H        MET  18  -8.195 -10.999  15.120
  114    HA   MET  18           HA       MET  18  -6.104  -9.830  16.903
  115   1HB   MET  18          1HB       MET  18  -6.569 -12.232  17.570
  116   2HB   MET  18          2HB       MET  18  -4.966 -12.055  16.900
  117   1HG   MET  18          1HG       MET  18  -6.518 -12.603  14.650
  118   2HG   MET  18          2HG       MET  18  -7.268 -13.551  15.878
  119   1HE   MET  18          1HE       MET  18  -6.654 -16.062  16.073
  120   2HE   MET  18          2HE       MET  18  -5.947 -15.153  17.430
  121   3HE   MET  18          3HE       MET  18  -5.008 -16.379  16.611
  122    H    CYS  19           H        CYS  19  -4.408 -11.741  14.883
  123    HA   CYS  19           HA       CYS  19  -4.905 -10.227  12.397
  124   1HB   CYS  19          1HB       CYS  19  -2.111  -9.939  13.195
  125   2HB   CYS  19          2HB       CYS  19  -3.253  -9.091  14.201
  126    H    SER  20           H        SER  20  -4.695 -11.312  10.768
  127    HA   SER  20           HA       SER  20  -3.103 -13.768  10.631
  128   1HB   SER  20          1HB       SER  20  -4.274 -13.673   8.174
  129   2HB   SER  20          2HB       SER  20  -5.358 -12.543   8.996
  130    HG   SER  20           HG       SER  20  -6.213 -14.353   9.664
  131    H    ARG  21           H        ARG  21  -1.302 -12.309  10.959
  132    HA   ARG  21           HA       ARG  21   0.709 -11.447  10.263
  133   1HB   ARG  21          1HB       ARG  21   0.094 -13.186   8.290
  134   2HB   ARG  21          2HB       ARG  21   1.524 -12.200   8.240
  135   1HG   ARG  21          1HG       ARG  21  -0.743 -10.779   6.962
  136   2HG   ARG  21          2HG       ARG  21  -0.513 -12.366   6.275
  137   1HD   ARG  21          1HD       ARG  21   1.845 -11.882   5.802
  138   2HD   ARG  21          2HD       ARG  21   1.724 -10.308   6.572
  139    HE   ARG  21           HE       ARG  21   0.663 -11.062   3.942
  140   1HH1  ARG  21          1HH1      ARG  21  -0.508  -7.912   3.368
  141   2HH1  ARG  21          2HH1      ARG  21  -0.162  -9.470   2.695
  142   1HH2  ARG  21          1HH2      ARG  21   0.552  -8.777   6.571
  143   2HH2  ARG  21          2HH2      ARG  21  -0.089  -7.524   5.569
  144    H    GLY  22           H        GLY  22  -1.990  -9.770  10.130
  145   1HA   GLY  22          1HA       GLY  22  -0.834  -7.497   8.547
  146   2HA   GLY  22          2HA       GLY  22  -1.299  -7.247  10.219
  147    H    LYS  23           H        LYS  23  -3.600  -9.159   9.653
  148    HA   LYS  23           HA       LYS  23  -5.498  -7.081   8.758
  149   1HB   LYS  23          1HB       LYS  23  -6.615  -9.044   7.367
  150   2HB   LYS  23          2HB       LYS  23  -5.019  -9.759   7.409
  151   1HG   LYS  23          1HG       LYS  23  -4.055  -8.088   6.103
  152   2HG   LYS  23          2HG       LYS  23  -5.208  -6.868   6.594
  153   1HD   LYS  23          1HD       LYS  23  -6.992  -8.214   5.302
  154   2HD   LYS  23          2HD       LYS  23  -5.664  -9.145   4.629
  155   1HE   LYS  23          1HE       LYS  23  -4.680  -7.103   3.665
  156   2HE   LYS  23          2HE       LYS  23  -5.917  -6.113   4.431
  157   1HZ   LYS  23          1HZ       LYS  23  -7.592  -7.226   3.147
  158   2HZ   LYS  23          2HZ       LYS  23  -6.432  -8.243   2.440
  159   3HZ   LYS  23          3HZ       LYS  23  -6.408  -6.576   2.115
  160    H    CYS  24           H        CYS  24  -7.198  -7.138  10.120
  161    HA   CYS  24           HA       CYS  24  -7.206  -9.002  12.263
  162   1HB   CYS  24          1HB       CYS  24  -9.427  -7.966  12.836
  163   2HB   CYS  24          2HB       CYS  24  -9.424  -7.180  11.297
  164    H    VAL  25           H        VAL  25  -8.183 -10.710  12.734
  165    HA   VAL  25           HA       VAL  25 -10.341 -11.885  11.155
  166    HB   VAL  25           HB       VAL  25  -8.936 -14.052  11.209
  167   1HG1  VAL  25          1HG1      VAL  25  -8.019 -13.655   8.987
  168   2HG1  VAL  25          2HG1      VAL  25  -7.947 -11.922   9.261
  169   3HG1  VAL  25          3HG1      VAL  25  -9.502 -12.727   9.105
  170   1HG2  VAL  25          1HG2      VAL  25  -6.686 -14.027  11.664
  171   2HG2  VAL  25          2HG2      VAL  25  -7.088 -12.605  12.591
  172   3HG2  VAL  25          3HG2      VAL  25  -6.447 -12.424  10.978
  173    H    SER  26           H        SER  26 -11.396 -13.404  12.344
  174    HA   SER  26           HA       SER  26 -11.727 -13.067  15.065
  175   1HB   SER  26          1HB       SER  26 -12.262 -15.453  13.331
  176   2HB   SER  26          2HB       SER  26 -13.422 -14.228  13.878
  177    HG   SER  26           HG       SER  26 -12.689 -14.937  16.045
  178    H    ILE  27           H        ILE  27 -10.956 -13.753  16.831
  179    HA   ILE  27           HA       ILE  27  -8.335 -14.833  17.109
  180    HB   ILE  27           HB       ILE  27  -9.396 -15.406  19.578
  181   1HG1  ILE  27          1HG1      ILE  27 -10.994 -12.972  18.783
  182   2HG1  ILE  27          2HG1      ILE  27 -10.976 -13.789  20.318
  183   1HG2  ILE  27          1HG2      ILE  27  -8.606 -12.654  18.574
  184   2HG2  ILE  27          2HG2      ILE  27  -7.488 -13.912  19.091
  185   3HG2  ILE  27          3HG2      ILE  27  -8.579 -13.171  20.255
  186   1HD1  ILE  27          1HD1      ILE  27 -11.775 -15.872  18.958
  187   2HD1  ILE  27          2HD1      ILE  27 -12.325 -14.671  17.798
  188   3HD1  ILE  27          3HD1      ILE  27 -12.922 -14.635  19.444
  189    H    TYR  28           H        TYR  28 -11.337 -16.324  16.663
  190    HA   TYR  28           HA       TYR  28 -10.488 -18.994  17.601
  191   1HB   TYR  28          1HB       TYR  28 -12.770 -19.669  16.936
  192   2HB   TYR  28          2HB       TYR  28 -13.042 -18.124  16.161
  193    HD1  TYR  28           HD1      TYR  28 -11.608 -19.015  19.536
  194    HD2  TYR  28           HD2      TYR  28 -14.661 -16.972  17.372
  195    HE1  TYR  28           HE1      TYR  28 -12.477 -18.096  21.626
  196    HE2  TYR  28           HE2      TYR  28 -15.527 -16.057  19.468
  197    HH   TYR  28           HH       TYR  28 -14.241 -15.592  21.943
  198    H    GLY  29           H        GLY  29 -11.456 -17.300  14.706
  199   1HA   GLY  29          1HA       GLY  29 -10.170 -19.339  12.987
  200   2HA   GLY  29          2HA       GLY  29  -9.904 -17.616  12.716
  201    H    GLU  30           H        GLU  30 -12.758 -17.196  13.613
  202    HA   GLU  30           HA       GLU  30 -14.213 -18.091  11.170
  203   1HB   GLU  30          1HB       GLU  30 -16.216 -17.478  12.841
  204   2HB   GLU  30          2HB       GLU  30 -14.984 -17.603  14.075
  205   1HG   GLU  30          1HG       GLU  30 -15.883 -19.778  12.134
  206   2HG   GLU  30          2HG       GLU  30 -16.097 -19.764  13.873
  Start of MODEL   16
    1   1H    SER   1          1H        SER   1 -12.304   4.761  18.772
    2   2H    SER   1          2H        SER   1 -11.129   3.834  19.576
    3   3H    SER   1          3H        SER   1 -12.585   3.114  19.080
    4    HA   SER   1           HA       SER   1 -12.027   3.370  16.794
    5   1HB   SER   1          1HB       SER   1  -9.766   4.322  16.169
    6   2HB   SER   1          2HB       SER   1  -9.508   4.750  17.871
    7    HG   SER   1           HG       SER   1 -11.538   5.871  17.748
    8    H    CYS   2           H        CYS   2 -11.200   1.594  15.885
    9    HA   CYS   2           HA       CYS   2  -8.981   0.071  17.010
   10   1HB   CYS   2          1HB       CYS   2 -10.823  -0.615  18.512
   11   2HB   CYS   2          2HB       CYS   2 -10.272  -1.938  17.529
   12    H    SER   3           H        SER   3  -8.500  -1.849  15.747
   13    HA   SER   3           HA       SER   3  -8.957  -1.405  12.894
   14   1HB   SER   3          1HB       SER   3  -7.360  -3.679  13.069
   15   2HB   SER   3          2HB       SER   3  -7.062  -2.946  14.633
   16    HG   SER   3           HG       SER   3  -5.733  -2.211  12.939
   17    H    GLY   4           H        GLY   4 -11.012  -2.035  12.297
   18   1HA   GLY   4          1HA       GLY   4 -12.927  -3.371  12.095
   19   2HA   GLY   4          2HA       GLY   4 -12.289  -4.383  13.373
   20    H    ARG   5           H        ARG   5 -13.354  -5.783  11.376
   21    HA   ARG   5           HA       ARG   5 -11.547  -7.621  10.546
   22   1HB   ARG   5          1HB       ARG   5 -13.255  -7.713   8.399
   23   2HB   ARG   5          2HB       ARG   5 -14.185  -6.714   9.498
   24   1HG   ARG   5          1HG       ARG   5 -14.013  -8.444  11.259
   25   2HG   ARG   5          2HG       ARG   5 -12.966  -9.418  10.241
   26   1HD   ARG   5          1HD       ARG   5 -15.777  -8.624   9.380
   27   2HD   ARG   5          2HD       ARG   5 -15.428 -10.119  10.247
   28    HE   ARG   5           HE       ARG   5 -13.650  -9.953   8.035
   29   1HH1  ARG   5          1HH1      ARG   5 -17.340 -11.233   7.293
   30   2HH1  ARG   5          2HH1      ARG   5 -17.024 -10.320   8.731
   31   1HH2  ARG   5          1HH2      ARG   5 -14.024 -11.098   6.207
   32   2HH2  ARG   5          2HH2      ARG   5 -15.613 -11.680   5.838
   33    H    ASP   6           H        ASP   6  -9.948  -7.780   9.489
   34    HA   ASP   6           HA       ASP   6  -8.396  -7.825   7.797
   35   1HB   ASP   6          1HB       ASP   6  -9.792  -5.693   6.193
   36   2HB   ASP   6          2HB       ASP   6 -10.538  -7.279   6.334
   37    H    SER   7           H        SER   7  -8.910  -5.287   9.726
   38    HA   SER   7           HA       SER   7  -7.068  -3.350   8.534
   39   1HB   SER   7          1HB       SER   7  -7.395  -2.174  10.776
   40   2HB   SER   7          2HB       SER   7  -8.333  -3.587  11.285
   41    HG   SER   7           HG       SER   7  -9.893  -3.010  10.073
   42    H    ARG   8           H        ARG   8  -5.018  -2.747   9.428
   43    HA   ARG   8           HA       ARG   8  -3.209  -4.835   9.878
   44   1HB   ARG   8          1HB       ARG   8  -2.624  -2.548   9.077
   45   2HB   ARG   8          2HB       ARG   8  -1.567  -3.085  10.357
   46   1HG   ARG   8          1HG       ARG   8  -3.993  -1.539  11.247
   47   2HG   ARG   8          2HG       ARG   8  -2.827  -0.637  10.312
   48   1HD   ARG   8          1HD       ARG   8  -1.755  -2.366  12.542
   49   2HD   ARG   8          2HD       ARG   8  -2.558  -0.856  12.968
   50    HE   ARG   8           HE       ARG   8  -0.809  -0.149  10.932
   51   1HH1  ARG   8          1HH1      ARG   8   1.057  -1.136  14.298
   52   2HH1  ARG   8          2HH1      ARG   8  -0.549  -1.718  14.013
   53   1HH2  ARG   8          1HH2      ARG   8   1.223   0.585  11.269
   54   2HH2  ARG   8          2HH2      ARG   8   2.076   0.182  12.722
   55    H    CYS   9           H        CYS   9  -2.602  -5.981  11.584
   56    HA   CYS   9           HA       CYS   9  -2.773  -5.064  14.311
   57   1HB   CYS   9          1HB       CYS   9  -4.974  -5.729  14.256
   58   2HB   CYS   9          2HB       CYS   9  -4.228  -7.241  14.703
   59    HA   HYP  10           HA       HYP  10  -3.205  -6.471  16.212
   60   1HB   HYP  10          1HB       HYP  10  -3.583  -8.581  16.965
   61   2HB   HYP  10          2HB       HYP  10  -2.369  -8.185  18.177
   62   1HD   HYP  10          1HD1      HYP  10  -0.829  -9.304  14.474
   63   2HD   HYP  10          2HD1      HYP  10   0.193  -8.337  15.561
   64    HOD  HYP  10           HD2      HYP  10  -3.143 -10.049  15.750
   65    HG   HYP  10           HG       HYP  10  -0.805  -9.689  17.258
   66    HA   HYP  11           HA       HYP  11  -3.377  -6.685  18.838
   67   1HB   HYP  11          1HB       HYP  11  -2.246  -6.929  20.889
   68   2HB   HYP  11          2HB       HYP  11  -3.022  -5.402  21.262
   69   1HD   HYP  11          1HD1      HYP  11   0.415  -5.107  18.880
   70   2HD   HYP  11          2HD1      HYP  11  -0.755  -3.776  18.934
   71    HOD  HYP  11           HD2      HYP  11  -0.224  -6.508  21.827
   72    HG   HYP  11           HG       HYP  11  -0.895  -4.386  21.269
   73    H    VAL  12           H        VAL  12  -3.421  -4.906  16.945
   74    HA   VAL  12           HA       VAL  12  -4.572  -2.378  17.866
   75    HB   VAL  12           HB       VAL  12  -4.358  -3.304  15.016
   76   1HG1  VAL  12          1HG1      VAL  12  -4.195  -0.865  14.540
   77   2HG1  VAL  12          2HG1      VAL  12  -4.252  -0.511  16.258
   78   3HG1  VAL  12          3HG1      VAL  12  -5.653  -1.193  15.452
   79   1HG2  VAL  12          1HG2      VAL  12  -2.186  -2.081  16.781
   80   2HG2  VAL  12          2HG2      VAL  12  -2.104  -2.047  15.029
   81   3HG2  VAL  12          3HG2      VAL  12  -2.097  -3.581  15.874
   82    H    CYS  13           H        CYS  13  -5.670  -5.331  16.380
   83    HA   CYS  13           HA       CYS  13  -8.121  -4.538  15.374
   84   1HB   CYS  13          1HB       CYS  13  -8.850  -6.868  15.815
   85   2HB   CYS  13          2HB       CYS  13  -7.344  -7.119  16.645
   86    H    CYS  14           H        CYS  14 -10.135  -4.925  15.862
   87    HA   CYS  14           HA       CYS  14 -11.103  -3.759  18.282
   88   1HB   CYS  14          1HB       CYS  14 -13.360  -4.316  17.165
   89   2HB   CYS  14          2HB       CYS  14 -12.437  -5.150  15.974
   90    H    MET  15           H        MET  15 -12.966  -4.852  19.464
   91    HA   MET  15           HA       MET  15 -11.981  -7.157  20.787
   92   1HB   MET  15          1HB       MET  15 -13.478  -5.481  21.844
   93   2HB   MET  15          2HB       MET  15 -14.124  -7.097  22.007
   94   1HG   MET  15          1HG       MET  15 -15.837  -6.725  20.493
   95   2HG   MET  15          2HG       MET  15 -14.985  -5.462  19.648
   96   1HE   MET  15          1HE       MET  15 -17.750  -5.108  23.229
   97   2HE   MET  15          2HE       MET  15 -16.483  -6.317  23.148
   98   3HE   MET  15          3HE       MET  15 -17.809  -6.321  21.959
   99    H    GLY  16           H        GLY  16 -11.941  -9.135  20.054
  100   1HA   GLY  16          1HA       GLY  16 -14.197 -10.247  18.448
  101   2HA   GLY  16          2HA       GLY  16 -13.074 -11.181  19.424
  102    H    LEU  17           H        LEU  17 -11.375  -8.808  17.791
  103    HA   LEU  17           HA       LEU  17 -10.699 -10.564  15.496
  104   1HB   LEU  17          1HB       LEU  17  -9.850  -8.294  14.590
  105   2HB   LEU  17          2HB       LEU  17 -10.757  -7.581  15.886
  106    HG   LEU  17           HG       LEU  17 -12.794  -8.892  15.018
  107   1HD1  LEU  17          1HD1      LEU  17 -12.916  -7.039  13.030
  108   2HD1  LEU  17          2HD1      LEU  17 -11.493  -6.426  13.845
  109   3HD1  LEU  17          3HD1      LEU  17 -13.021  -6.571  14.704
  110   1HD2  LEU  17          1HD2      LEU  17 -10.985  -9.978  13.268
  111   2HD2  LEU  17          2HD2      LEU  17 -11.589  -8.666  12.292
  112   3HD2  LEU  17          3HD2      LEU  17 -12.705  -9.865  12.914
  113    H    MET  18           H        MET  18  -8.591 -10.909  15.017
  114    HA   MET  18           HA       MET  18  -6.406  -9.853  16.754
  115   1HB   MET  18          1HB       MET  18  -7.118 -12.231  17.470
  116   2HB   MET  18          2HB       MET  18  -5.450 -12.090  16.979
  117   1HG   MET  18          1HG       MET  18  -7.099 -12.733  14.682
  118   2HG   MET  18          2HG       MET  18  -7.400 -13.850  15.975
  119   1HE   MET  18          1HE       MET  18  -4.555 -16.068  16.284
  120   2HE   MET  18          2HE       MET  18  -6.025 -15.400  16.947
  121   3HE   MET  18          3HE       MET  18  -4.470 -14.628  17.307
  122    H    CYS  19           H        CYS  19  -4.734 -11.839  14.866
  123    HA   CYS  19           HA       CYS  19  -5.266 -10.409  12.305
  124   1HB   CYS  19          1HB       CYS  19  -2.446 -10.288  13.015
  125   2HB   CYS  19          2HB       CYS  19  -3.502  -9.363  14.049
  126    H    SER  20           H        SER  20  -5.113 -11.421  10.653
  127    HA   SER  20           HA       SER  20  -3.801 -14.021  10.421
  128   1HB   SER  20          1HB       SER  20  -4.905 -13.668   7.954
  129   2HB   SER  20          2HB       SER  20  -5.864 -12.457   8.816
  130    HG   SER  20           HG       SER  20  -5.874 -15.180   9.005
  131    H    ARG  21           H        ARG  21  -1.859 -12.802  10.857
  132    HA   ARG  21           HA       ARG  21   0.257 -12.128  10.219
  133   1HB   ARG  21          1HB       ARG  21   1.002 -12.496   7.995
  134   2HB   ARG  21          2HB       ARG  21  -0.568 -12.181   7.289
  135   1HG   ARG  21          1HG       ARG  21  -1.430 -14.280   7.925
  136   2HG   ARG  21          2HG       ARG  21  -0.250 -14.499   9.204
  137   1HD   ARG  21          1HD       ARG  21   1.527 -14.907   7.566
  138   2HD   ARG  21          2HD       ARG  21   0.448 -14.492   6.231
  139    HE   ARG  21           HE       ARG  21  -0.817 -16.559   7.655
  140   1HH1  ARG  21          1HH1      ARG  21   2.240 -17.700   5.386
  141   2HH1  ARG  21          2HH1      ARG  21   2.119 -16.047   5.888
  142   1HH2  ARG  21          1HH2      ARG  21  -0.685 -18.653   7.037
  143   2HH2  ARG  21          2HH2      ARG  21   0.628 -19.202   6.047
  144    H    GLY  22           H        GLY  22  -2.379 -10.247   9.910
  145   1HA   GLY  22          1HA       GLY  22  -0.957  -7.980   8.568
  146   2HA   GLY  22          2HA       GLY  22  -1.410  -7.778  10.248
  147    H    LYS  23           H        LYS  23  -3.878  -9.472   9.407
  148    HA   LYS  23           HA       LYS  23  -5.553  -7.141   8.620
  149   1HB   LYS  23          1HB       LYS  23  -6.837  -8.898   7.147
  150   2HB   LYS  23          2HB       LYS  23  -5.391  -9.865   7.287
  151   1HG   LYS  23          1HG       LYS  23  -4.168  -7.638   6.461
  152   2HG   LYS  23          2HG       LYS  23  -5.765  -7.192   5.915
  153   1HD   LYS  23          1HD       LYS  23  -4.769  -8.271   4.040
  154   2HD   LYS  23          2HD       LYS  23  -5.831  -9.488   4.714
  155   1HE   LYS  23          1HE       LYS  23  -3.071  -9.506   5.874
  156   2HE   LYS  23          2HE       LYS  23  -3.137  -9.892   4.165
  157   1HZ   LYS  23          1HZ       LYS  23  -3.900 -11.882   4.643
  158   2HZ   LYS  23          2HZ       LYS  23  -5.205 -11.239   5.517
  159   3HZ   LYS  23          3HZ       LYS  23  -3.728 -11.538   6.295
  160    H    CYS  24           H        CYS  24  -7.354  -7.092  10.002
  161    HA   CYS  24           HA       CYS  24  -7.443  -9.011  12.095
  162   1HB   CYS  24          1HB       CYS  24  -9.581  -7.908  12.737
  163   2HB   CYS  24          2HB       CYS  24  -9.592  -7.054  11.236
  164    H    VAL  25           H        VAL  25  -8.632 -10.571  12.607
  165    HA   VAL  25           HA       VAL  25 -10.785 -11.636  10.955
  166    HB   VAL  25           HB       VAL  25  -9.511 -13.897  11.162
  167   1HG1  VAL  25          1HG1      VAL  25  -8.572 -13.672   8.930
  168   2HG1  VAL  25          2HG1      VAL  25  -8.371 -11.939   9.119
  169   3HG1  VAL  25          3HG1      VAL  25  -9.982 -12.629   8.981
  170   1HG2  VAL  25          1HG2      VAL  25  -7.635 -12.649  12.551
  171   2HG2  VAL  25          2HG2      VAL  25  -7.000 -12.217  10.979
  172   3HG2  VAL  25          3HG2      VAL  25  -7.168 -13.902  11.435
  173    H    SER  26           H        SER  26 -12.020 -12.998  12.165
  174    HA   SER  26           HA       SER  26 -12.282 -12.538  14.894
  175   1HB   SER  26          1HB       SER  26 -13.157 -15.090  13.498
  176   2HB   SER  26          2HB       SER  26 -14.090 -13.575  13.575
  177    HG   SER  26           HG       SER  26 -13.464 -13.798  15.939
  178    H    ILE  27           H        ILE  27 -11.645 -13.432  16.704
  179    HA   ILE  27           HA       ILE  27  -9.130 -14.728  16.903
  180    HB   ILE  27           HB       ILE  27 -10.211 -15.425  19.303
  181   1HG1  ILE  27          1HG1      ILE  27 -11.851 -12.984  18.580
  182   2HG1  ILE  27          2HG1      ILE  27 -11.759 -13.755  20.137
  183   1HG2  ILE  27          1HG2      ILE  27  -9.415 -13.224  20.148
  184   2HG2  ILE  27          2HG2      ILE  27  -9.415 -12.604  18.502
  185   3HG2  ILE  27          3HG2      ILE  27  -8.302 -13.892  18.960
  186   1HD1  ILE  27          1HD1      ILE  27 -12.534 -15.891  18.924
  187   2HD1  ILE  27          2HD1      ILE  27 -13.067 -14.793  17.656
  188   3HD1  ILE  27          3HD1      ILE  27 -13.711 -14.632  19.282
  189    H    TYR  28           H        TYR  28 -12.223 -15.938  16.294
  190    HA   TYR  28           HA       TYR  28 -11.630 -18.737  16.998
  191   1HB   TYR  28          1HB       TYR  28 -13.923 -19.151  16.096
  192   2HB   TYR  28          2HB       TYR  28 -14.019 -17.485  15.562
  193    HD1  TYR  28           HD1      TYR  28 -12.815 -19.035  18.787
  194    HD2  TYR  28           HD2      TYR  28 -15.555 -16.358  16.917
  195    HE1  TYR  28           HE1      TYR  28 -13.653 -18.363  20.977
  196    HE2  TYR  28           HE2      TYR  28 -16.393 -15.690  19.115
  197    HH   TYR  28           HH       TYR  28 -15.308 -15.694  21.579
  198    H    GLY  29           H        GLY  29 -12.265 -16.804  14.137
  199   1HA   GLY  29          1HA       GLY  29 -11.589 -17.022  11.907
  200   2HA   GLY  29          2HA       GLY  29 -11.951 -18.733  12.124
  201    H    GLU  30           H        GLU  30  -9.558 -16.603  13.536
  202    HA   GLU  30           HA       GLU  30  -7.366 -18.477  12.889
  203   1HB   GLU  30          1HB       GLU  30  -6.854 -15.519  12.706
  204   2HB   GLU  30          2HB       GLU  30  -7.749 -16.238  11.385
  205   1HG   GLU  30          1HG       GLU  30  -5.592 -16.542  10.606
  206   2HG   GLU  30          2HG       GLU  30  -5.821 -18.064  11.443
  Start of MODEL   17
    1   1H    SER   1          1H        SER   1 -10.664   5.572  16.602
    2   2H    SER   1          2H        SER   1  -9.501   4.708  15.716
    3   3H    SER   1          3H        SER   1  -9.572   4.548  17.406
    4    HA   SER   1           HA       SER   1 -11.701   3.495  17.282
    5   1HB   SER   1          1HB       SER   1 -12.576   4.652  15.241
    6   2HB   SER   1          2HB       SER   1 -12.612   2.904  14.962
    7    HG   SER   1           HG       SER   1 -10.462   4.626  14.287
    8    H    CYS   2           H        CYS   2 -11.828   1.257  17.095
    9    HA   CYS   2           HA       CYS   2  -9.285  -0.124  16.976
   10   1HB   CYS   2          1HB       CYS   2 -11.183  -0.738  18.483
   11   2HB   CYS   2          2HB       CYS   2 -10.522  -2.070  17.581
   12    H    SER   3           H        SER   3  -8.813  -1.943  15.668
   13    HA   SER   3           HA       SER   3  -9.462  -1.517  12.834
   14   1HB   SER   3          1HB       SER   3  -7.286  -2.294  12.537
   15   2HB   SER   3          2HB       SER   3  -7.613  -3.775  13.427
   16    HG   SER   3           HG       SER   3  -7.424  -2.455  15.330
   17    H    GLY   4           H        GLY   4 -11.364  -2.447  12.221
   18   1HA   GLY   4          1HA       GLY   4 -13.160  -3.972  12.195
   19   2HA   GLY   4          2HA       GLY   4 -12.363  -4.860  13.462
   20    H    ARG   5           H        ARG   5 -13.394  -6.378  11.467
   21    HA   ARG   5           HA       ARG   5 -11.474  -8.109  10.665
   22   1HB   ARG   5          1HB       ARG   5 -13.205  -8.258   8.489
   23   2HB   ARG   5          2HB       ARG   5 -14.182  -7.428   9.680
   24   1HG   ARG   5          1HG       ARG   5 -13.728  -9.228  11.327
   25   2HG   ARG   5          2HG       ARG   5 -12.681 -10.042  10.181
   26   1HD   ARG   5          1HD       ARG   5 -15.507  -9.452   9.283
   27   2HD   ARG   5          2HD       ARG   5 -15.264 -10.718  10.467
   28    HE   ARG   5           HE       ARG   5 -13.993 -11.979   8.894
   29   1HH1  ARG   5          1HH1      ARG   5 -13.904 -11.490   5.526
   30   2HH1  ARG   5          2HH1      ARG   5 -13.590 -12.570   6.847
   31   1HH2  ARG   5          1HH2      ARG   5 -15.067  -8.933   7.601
   32   2HH2  ARG   5          2HH2      ARG   5 -14.758  -9.403   5.966
   33    H    ASP   6           H        ASP   6  -9.865  -8.193   9.610
   34    HA   ASP   6           HA       ASP   6  -8.308  -8.185   7.936
   35   1HB   ASP   6          1HB       ASP   6  -9.835  -6.179   6.284
   36   2HB   ASP   6          2HB       ASP   6 -10.448  -7.821   6.436
   37    H    SER   7           H        SER   7  -8.995  -5.606   9.781
   38    HA   SER   7           HA       SER   7  -7.229  -3.629   8.539
   39   1HB   SER   7          1HB       SER   7  -7.755  -2.316  10.619
   40   2HB   SER   7          2HB       SER   7  -8.489  -3.783  11.298
   41    HG   SER   7           HG       SER   7 -10.008  -3.755   9.834
   42    H    ARG   8           H        ARG   8  -5.280  -2.800   9.551
   43    HA   ARG   8           HA       ARG   8  -3.334  -4.750  10.066
   44   1HB   ARG   8          1HB       ARG   8  -2.915  -2.442   9.214
   45   2HB   ARG   8          2HB       ARG   8  -1.822  -2.892  10.497
   46   1HG   ARG   8          1HG       ARG   8  -4.332  -1.482  11.372
   47   2HG   ARG   8          2HG       ARG   8  -3.224  -0.526  10.417
   48   1HD   ARG   8          1HD       ARG   8  -2.113  -2.147  12.726
   49   2HD   ARG   8          2HD       ARG   8  -2.903  -0.604  13.036
   50    HE   ARG   8           HE       ARG   8  -0.994  -0.351  10.893
   51   1HH1  ARG   8          1HH1      ARG   8   1.466   0.931  12.880
   52   2HH1  ARG   8          2HH1      ARG   8   0.895   0.685  11.262
   53   1HH2  ARG   8          1HH2      ARG   8  -1.277  -0.661  14.333
   54   2HH2  ARG   8          2HH2      ARG   8   0.219   0.154  14.642
   55    H    CYS   9           H        CYS   9  -2.643  -5.806  11.769
   56    HA   CYS   9           HA       CYS   9  -2.838  -4.865  14.487
   57   1HB   CYS   9          1HB       CYS   9  -4.974  -5.663  14.487
   58   2HB   CYS   9          2HB       CYS   9  -4.150  -7.144  14.901
   59    HA   HYP  10           HA       HYP  10  -3.191  -6.299  16.401
   60   1HB   HYP  10          1HB       HYP  10  -3.512  -8.466  17.015
   61   2HB   HYP  10          2HB       HYP  10  -2.399  -8.060  18.317
   62   1HD   HYP  10          1HD1      HYP  10  -0.622  -8.971  14.652
   63   2HD   HYP  10          2HD1      HYP  10   0.297  -7.966  15.801
   64    HOD  HYP  10           HD2      HYP  10  -1.431 -10.690  15.600
   65    HG   HYP  10           HG       HYP  10  -0.685  -9.430  17.431
   66    HA   HYP  11           HA       HYP  11  -3.469  -6.597  18.970
   67   1HB   HYP  11          1HB       HYP  11  -2.424  -6.912  21.062
   68   2HB   HYP  11          2HB       HYP  11  -3.243  -5.415  21.458
   69   1HD   HYP  11          1HD1      HYP  11   0.289  -4.954  19.247
   70   2HD   HYP  11          2HD1      HYP  11  -0.913  -3.651  19.304
   71    HOD  HYP  11           HD2      HYP  11   0.651  -5.774  21.277
   72    HG   HYP  11           HG       HYP  11  -1.133  -4.370  21.607
   73    H    VAL  12           H        VAL  12  -3.516  -4.770  17.140
   74    HA   VAL  12           HA       VAL  12  -4.684  -2.279  18.131
   75    HB   VAL  12           HB       VAL  12  -4.491  -3.051  15.232
   76   1HG1  VAL  12          1HG1      VAL  12  -4.478  -0.686  14.831
   77   2HG1  VAL  12          2HG1      VAL  12  -4.004  -0.312  16.479
   78   3HG1  VAL  12          3HG1      VAL  12  -5.634  -0.849  16.137
   79   1HG2  VAL  12          1HG2      VAL  12  -2.236  -1.939  16.964
   80   2HG2  VAL  12          2HG2      VAL  12  -2.195  -2.036  15.210
   81   3HG2  VAL  12          3HG2      VAL  12  -2.244  -3.501  16.166
   82    H    CYS  13           H        CYS  13  -5.770  -5.140  16.409
   83    HA   CYS  13           HA       CYS  13  -8.235  -4.222  15.522
   84   1HB   CYS  13          1HB       CYS  13  -8.979  -6.557  15.620
   85   2HB   CYS  13          2HB       CYS  13  -7.561  -6.966  16.549
   86    H    CYS  14           H        CYS  14 -10.220  -4.925  16.021
   87    HA   CYS  14           HA       CYS  14 -11.258  -3.859  18.443
   88   1HB   CYS  14          1HB       CYS  14 -13.458  -4.620  17.388
   89   2HB   CYS  14          2HB       CYS  14 -12.507  -5.518  16.271
   90    H    MET  15           H        MET  15 -12.857  -5.055  19.790
   91    HA   MET  15           HA       MET  15 -11.570  -7.237  21.096
   92   1HB   MET  15          1HB       MET  15 -14.513  -6.596  21.505
   93   2HB   MET  15          2HB       MET  15 -13.298  -5.434  21.989
   94   1HG   MET  15          1HG       MET  15 -12.647  -6.653  23.765
   95   2HG   MET  15          2HG       MET  15 -12.635  -8.154  22.888
   96   1HE   MET  15          1HE       MET  15 -15.120  -9.168  22.084
   97   2HE   MET  15          2HE       MET  15 -15.876  -9.827  23.521
   98   3HE   MET  15          3HE       MET  15 -14.149 -10.047  23.291
   99    H    GLY  16           H        GLY  16 -11.407  -9.179  20.196
  100   1HA   GLY  16          1HA       GLY  16 -13.773 -10.405  18.834
  101   2HA   GLY  16          2HA       GLY  16 -12.645 -11.302  19.855
  102    H    LEU  17           H        LEU  17 -11.296  -8.800  17.962
  103    HA   LEU  17           HA       LEU  17 -10.417 -10.641  15.811
  104   1HB   LEU  17          1HB       LEU  17  -9.735  -8.330  14.812
  105   2HB   LEU  17          2HB       LEU  17 -10.734  -7.668  16.070
  106    HG   LEU  17           HG       LEU  17 -12.627  -9.169  15.246
  107   1HD1  LEU  17          1HD1      LEU  17 -11.464  -6.815  13.732
  108   2HD1  LEU  17          2HD1      LEU  17 -12.854  -6.833  14.807
  109   3HD1  LEU  17          3HD1      LEU  17 -12.981  -7.524  13.208
  110   1HD2  LEU  17          1HD2      LEU  17 -12.263 -10.508  13.413
  111   2HD2  LEU  17          2HD2      LEU  17 -10.567 -10.046  13.476
  112   3HD2  LEU  17          3HD2      LEU  17 -11.677  -9.147  12.478
  113    H    MET  18           H        MET  18  -8.316 -10.894  15.331
  114    HA   MET  18           HA       MET  18  -6.182  -9.660  17.021
  115   1HB   MET  18          1HB       MET  18  -6.634 -12.000  17.831
  116   2HB   MET  18          2HB       MET  18  -5.058 -11.903  17.080
  117   1HG   MET  18          1HG       MET  18  -6.715 -12.540  14.943
  118   2HG   MET  18          2HG       MET  18  -7.442 -13.399  16.256
  119   1HE   MET  18          1HE       MET  18  -6.843 -15.944  16.570
  120   2HE   MET  18          2HE       MET  18  -6.115 -14.924  17.835
  121   3HE   MET  18          3HE       MET  18  -5.182 -16.205  17.100
  122    H    CYS  19           H        CYS  19  -4.626 -11.769  15.020
  123    HA   CYS  19           HA       CYS  19  -5.042 -10.322  12.487
  124   1HB   CYS  19          1HB       CYS  19  -2.245 -10.063  13.243
  125   2HB   CYS  19          2HB       CYS  19  -3.340  -9.178  14.270
  126    H    SER  20           H        SER  20  -4.851 -11.484  10.917
  127    HA   SER  20           HA       SER  20  -3.302 -13.971  10.899
  128   1HB   SER  20          1HB       SER  20  -4.526 -13.991   8.464
  129   2HB   SER  20          2HB       SER  20  -5.579 -12.807   9.250
  130    HG   SER  20           HG       SER  20  -4.908 -15.417  10.116
  131    H    ARG  21           H        ARG  21  -1.467 -12.606  11.107
  132    HA   ARG  21           HA       ARG  21   0.575 -11.942  10.293
  133   1HB   ARG  21          1HB       ARG  21  -0.555 -11.973   7.456
  134   2HB   ARG  21          2HB       ARG  21  -0.089 -13.447   8.290
  135   1HG   ARG  21          1HG       ARG  21   2.152 -12.202   8.745
  136   2HG   ARG  21          2HG       ARG  21   1.607 -11.081   7.507
  137   1HD   ARG  21          1HD       ARG  21   1.341 -13.027   5.911
  138   2HD   ARG  21          2HD       ARG  21   2.055 -14.076   7.138
  139    HE   ARG  21           HE       ARG  21   3.840 -11.937   6.831
  140   1HH1  ARG  21          1HH1      ARG  21   5.643 -13.163   4.204
  141   2HH1  ARG  21          2HH1      ARG  21   5.595 -12.043   5.525
  142   1HH2  ARG  21          1HH2      ARG  21   2.463 -14.438   4.866
  143   2HH2  ARG  21          2HH2      ARG  21   3.845 -14.540   3.829
  144    H    GLY  22           H        GLY  22  -2.204 -10.161   9.996
  145   1HA   GLY  22          1HA       GLY  22  -0.856  -7.766   8.833
  146   2HA   GLY  22          2HA       GLY  22  -1.364  -7.659  10.509
  147    H    LYS  23           H        LYS  23  -3.685  -9.460   9.620
  148    HA   LYS  23           HA       LYS  23  -5.502  -7.255   8.790
  149   1HB   LYS  23          1HB       LYS  23  -6.652  -9.100   7.329
  150   2HB   LYS  23          2HB       LYS  23  -5.161  -9.990   7.516
  151   1HG   LYS  23          1HG       LYS  23  -4.008  -7.783   6.638
  152   2HG   LYS  23          2HG       LYS  23  -5.614  -7.333   6.125
  153   1HD   LYS  23          1HD       LYS  23  -4.662  -8.402   4.221
  154   2HD   LYS  23          2HD       LYS  23  -5.709  -9.624   4.911
  155   1HE   LYS  23          1HE       LYS  23  -2.885  -9.619   5.947
  156   2HE   LYS  23          2HE       LYS  23  -3.089 -10.092   4.269
  157   1HZ   LYS  23          1HZ       LYS  23  -3.575 -11.612   6.540
  158   2HZ   LYS  23          2HZ       LYS  23  -3.802 -12.044   4.915
  159   3HZ   LYS  23          3HZ       LYS  23  -5.073 -11.338   5.792
  160    H    CYS  24           H        CYS  24  -7.264  -7.287  10.177
  161    HA   CYS  24           HA       CYS  24  -7.292  -9.125  12.326
  162   1HB   CYS  24          1HB       CYS  24  -9.433  -8.135  12.936
  163   2HB   CYS  24          2HB       CYS  24  -9.639  -7.479  11.357
  164    H    VAL  25           H        VAL  25  -8.393 -10.726  12.903
  165    HA   VAL  25           HA       VAL  25 -10.466 -12.023  11.319
  166    HB   VAL  25           HB       VAL  25  -9.077 -14.196  11.711
  167   1HG1  VAL  25          1HG1      VAL  25  -8.093 -14.081   9.467
  168   2HG1  VAL  25          2HG1      VAL  25  -8.122 -12.327   9.501
  169   3HG1  VAL  25          3HG1      VAL  25  -9.628 -13.232   9.443
  170   1HG2  VAL  25          1HG2      VAL  25  -6.611 -12.542  11.305
  171   2HG2  VAL  25          2HG2      VAL  25  -6.796 -14.105  12.093
  172   3HG2  VAL  25          3HG2      VAL  25  -7.251 -12.639  12.926
  173    H    SER  26           H        SER  26 -11.597 -13.372  12.650
  174    HA   SER  26           HA       SER  26 -11.814 -12.714  15.370
  175   1HB   SER  26          1HB       SER  26 -13.446 -13.988  13.604
  176   2HB   SER  26          2HB       SER  26 -13.674 -14.152  15.345
  177    HG   SER  26           HG       SER  26 -11.903 -15.814  13.921
  178    H    ILE  27           H        ILE  27 -11.116 -13.633  17.179
  179    HA   ILE  27           HA       ILE  27  -8.607 -14.802  17.397
  180    HB   ILE  27           HB       ILE  27  -9.772 -15.769  19.684
  181   1HG1  ILE  27          1HG1      ILE  27 -11.468 -13.314  19.126
  182   2HG1  ILE  27          2HG1      ILE  27 -11.488 -14.336  20.534
  183   1HG2  ILE  27          1HG2      ILE  27  -7.937 -14.114  19.554
  184   2HG2  ILE  27          2HG2      ILE  27  -9.158 -13.575  20.703
  185   3HG2  ILE  27          3HG2      ILE  27  -9.090 -12.864  19.098
  186   1HD1  ILE  27          1HD1      ILE  27 -13.313 -15.121  19.418
  187   2HD1  ILE  27          2HD1      ILE  27 -12.082 -16.241  18.849
  188   3HD1  ILE  27          3HD1      ILE  27 -12.612 -14.908  17.824
  189    H    TYR  28           H        TYR  28 -11.495 -16.252  16.493
  190    HA   TYR  28           HA       TYR  28 -10.792 -19.024  17.115
  191   1HB   TYR  28          1HB       TYR  28 -12.848 -19.580  15.907
  192   2HB   TYR  28          2HB       TYR  28 -12.922 -17.988  15.186
  193    HD1  TYR  28           HD1      TYR  28 -14.563 -16.601  16.141
  194    HD2  TYR  28           HD2      TYR  28 -12.548 -19.385  18.663
  195    HE1  TYR  28           HE1      TYR  28 -15.868 -15.820  18.054
  196    HE2  TYR  28           HE2      TYR  28 -13.854 -18.598  20.572
  197    HH   TYR  28           HH       TYR  28 -15.148 -16.118  21.025
  198    H    GLY  29           H        GLY  29 -11.241 -17.145  14.160
  199   1HA   GLY  29          1HA       GLY  29  -9.567 -19.004  12.627
  200   2HA   GLY  29          2HA       GLY  29  -9.027 -17.332  12.719
  201    H    GLU  30           H        GLU  30 -12.065 -16.657  12.754
  202    HA   GLU  30           HA       GLU  30 -12.798 -17.262   9.959
  203   1HB   GLU  30          1HB       GLU  30 -14.948 -16.098  10.693
  204   2HB   GLU  30          2HB       GLU  30 -14.256 -16.012  12.297
  205   1HG   GLU  30          1HG       GLU  30 -13.826 -18.660  11.823
  206   2HG   GLU  30          2HG       GLU  30 -15.186 -18.415  10.742
  Start of MODEL   18
    1   1H    SER   1          1H        SER   1 -10.333   5.660  17.670
    2   2H    SER   1          2H        SER   1  -9.271   4.750  16.704
    3   3H    SER   1          3H        SER   1  -9.294   4.524  18.388
    4    HA   SER   1           HA       SER   1 -11.419   3.551  18.343
    5   1HB   SER   1          1HB       SER   1 -12.454   5.008  16.591
    6   2HB   SER   1          2HB       SER   1 -12.652   3.316  16.113
    7    HG   SER   1           HG       SER   1 -10.852   3.494  14.818
    8    H    CYS   2           H        CYS   2 -11.581   1.364  18.098
    9    HA   CYS   2           HA       CYS   2  -9.221  -0.116  17.446
   10   1HB   CYS   2          1HB       CYS   2 -11.091  -0.797  19.017
   11   2HB   CYS   2          2HB       CYS   2 -10.469  -2.039  17.971
   12    H    SER   3           H        SER   3  -8.947  -1.750  15.852
   13    HA   SER   3           HA       SER   3  -9.985  -0.953  13.216
   14   1HB   SER   3          1HB       SER   3  -7.922  -2.913  13.012
   15   2HB   SER   3          2HB       SER   3  -7.465  -1.887  14.353
   16    HG   SER   3           HG       SER   3  -7.925  -0.066  13.082
   17    H    GLY   4           H        GLY   4 -11.643  -2.065  12.382
   18   1HA   GLY   4          1HA       GLY   4 -13.295  -3.729  12.259
   19   2HA   GLY   4          2HA       GLY   4 -12.436  -4.606  13.488
   20    H    ARG   5           H        ARG   5 -13.391  -5.988  11.369
   21    HA   ARG   5           HA       ARG   5 -11.430  -7.648  10.524
   22   1HB   ARG   5          1HB       ARG   5 -13.067  -7.925   8.397
   23   2HB   ARG   5          2HB       ARG   5 -14.086  -6.886   9.378
   24   1HG   ARG   5          1HG       ARG   5 -13.517  -8.527  11.324
   25   2HG   ARG   5          2HG       ARG   5 -12.942  -9.614  10.075
   26   1HD   ARG   5          1HD       ARG   5 -15.245  -9.401   8.985
   27   2HD   ARG   5          2HD       ARG   5 -15.771  -8.525  10.421
   28    HE   ARG   5           HE       ARG   5 -15.349 -11.379  10.218
   29   1HH1  ARG   5          1HH1      ARG   5 -15.349  -9.643  13.792
   30   2HH1  ARG   5          2HH1      ARG   5 -15.144  -8.670  12.376
   31   1HH2  ARG   5          1HH2      ARG   5 -15.611 -12.620  11.993
   32   2HH2  ARG   5          2HH2      ARG   5 -15.611 -11.916  13.574
   33    H    ASP   6           H        ASP   6  -9.896  -7.800   9.364
   34    HA   ASP   6           HA       ASP   6  -8.396  -7.745   7.622
   35   1HB   ASP   6          1HB       ASP   6  -9.626  -5.436   6.172
   36   2HB   ASP   6          2HB       ASP   6 -10.609  -6.884   6.312
   37    H    SER   7           H        SER   7  -8.796  -5.306   9.760
   38    HA   SER   7           HA       SER   7  -6.889  -3.405   8.608
   39   1HB   SER   7          1HB       SER   7  -6.932  -2.761  11.258
   40   2HB   SER   7          2HB       SER   7  -8.471  -3.611  11.130
   41    HG   SER   7           HG       SER   7  -8.254  -1.321  10.612
   42    H    ARG   8           H        ARG   8  -4.877  -2.816   9.567
   43    HA   ARG   8           HA       ARG   8  -3.081  -4.984   9.881
   44   1HB   ARG   8          1HB       ARG   8  -1.406  -3.170  10.483
   45   2HB   ARG   8          2HB       ARG   8  -2.732  -2.034  10.618
   46   1HG   ARG   8          1HG       ARG   8  -1.729  -1.752   8.431
   47   2HG   ARG   8          2HG       ARG   8  -3.309  -2.463   8.200
   48   1HD   ARG   8          1HD       ARG   8  -1.218  -4.536   8.539
   49   2HD   ARG   8          2HD       ARG   8  -0.881  -3.454   7.194
   50    HE   ARG   8           HE       ARG   8  -3.649  -4.364   7.221
   51   1HH1  ARG   8          1HH1      ARG   8  -3.142  -6.553   4.667
   52   2HH1  ARG   8          2HH1      ARG   8  -4.302  -5.727   5.653
   53   1HH2  ARG   8          1HH2      ARG   8  -0.396  -5.156   6.308
   54   2HH2  ARG   8          2HH2      ARG   8  -0.899  -6.236   5.053
   55    H    CYS   9           H        CYS   9  -2.457  -6.096  11.656
   56    HA   CYS   9           HA       CYS   9  -2.655  -5.019  14.330
   57   1HB   CYS   9          1HB       CYS   9  -4.867  -5.654  14.292
   58   2HB   CYS   9          2HB       CYS   9  -4.167  -7.165  14.796
   59    HA   HYP  10           HA       HYP  10  -3.212  -6.254  16.284
   60   1HB   HYP  10          1HB       HYP  10  -3.619  -8.246  17.282
   61   2HB   HYP  10          2HB       HYP  10  -2.374  -7.762  18.426
   62   1HD   HYP  10          1HD1      HYP  10  -0.815  -9.243  14.872
   63   2HD   HYP  10          2HD1      HYP  10   0.184  -8.211  15.921
   64    HOD  HYP  10           HD2      HYP  10  -3.166  -9.728  15.965
   65    HG   HYP  10           HG       HYP  10  -0.918  -9.454  17.659
   66    HA   HYP  11           HA       HYP  11  -3.447  -6.253  18.928
   67   1HB   HYP  11          1HB       HYP  11  -2.336  -6.316  20.995
   68   2HB   HYP  11          2HB       HYP  11  -3.158  -4.789  21.246
   69   1HD   HYP  11          1HD1      HYP  11   0.310  -4.587  18.897
   70   2HD   HYP  11          2HD1      HYP  11  -0.895  -3.288  18.823
   71    HOD  HYP  11           HD2      HYP  11  -0.332  -5.742  21.946
   72    HG   HYP  11           HG       HYP  11  -1.061  -3.714  21.200
   73    H    VAL  12           H        VAL  12  -3.528  -4.600  16.893
   74    HA   VAL  12           HA       VAL  12  -4.771  -2.062  17.670
   75    HB   VAL  12           HB       VAL  12  -4.570  -3.103  14.867
   76   1HG1  VAL  12          1HG1      VAL  12  -4.556  -0.734  14.252
   77   2HG1  VAL  12          2HG1      VAL  12  -4.343  -0.242  15.924
   78   3HG1  VAL  12          3HG1      VAL  12  -5.860  -0.936  15.400
   79   1HG2  VAL  12          1HG2      VAL  12  -2.290  -3.326  15.769
   80   2HG2  VAL  12          2HG2      VAL  12  -2.380  -1.731  16.499
   81   3HG2  VAL  12          3HG2      VAL  12  -2.323  -1.899  14.751
   82    H    CYS  13           H        CYS  13  -5.767  -5.128  16.314
   83    HA   CYS  13           HA       CYS  13  -8.279  -4.328  15.375
   84   1HB   CYS  13          1HB       CYS  13  -8.904  -6.695  15.586
   85   2HB   CYS  13          2HB       CYS  13  -7.432  -6.988  16.470
   86    H    CYS  14           H        CYS  14 -10.260  -4.926  15.971
   87    HA   CYS  14           HA       CYS  14 -11.146  -3.918  18.489
   88   1HB   CYS  14          1HB       CYS  14 -13.436  -4.574  17.441
   89   2HB   CYS  14          2HB       CYS  14 -12.501  -5.276  16.180
   90    H    MET  15           H        MET  15 -12.866  -5.107  19.735
   91    HA   MET  15           HA       MET  15 -11.704  -7.424  20.930
   92   1HB   MET  15          1HB       MET  15 -14.043  -7.439  22.137
   93   2HB   MET  15          2HB       MET  15 -14.331  -5.944  21.266
   94   1HG   MET  15          1HG       MET  15 -12.469  -4.870  22.299
   95   2HG   MET  15          2HG       MET  15 -11.809  -6.376  22.872
   96   1HE   MET  15          1HE       MET  15 -13.677  -3.240  23.793
   97   2HE   MET  15          2HE       MET  15 -14.976  -3.789  24.842
   98   3HE   MET  15          3HE       MET  15 -15.034  -4.189  23.138
   99    H    GLY  16           H        GLY  16 -11.622  -9.263  19.907
  100   1HA   GLY  16          1HA       GLY  16 -14.039 -10.340  18.492
  101   2HA   GLY  16          2HA       GLY  16 -12.945 -11.331  19.462
  102    H    LEU  17           H        LEU  17 -11.457  -8.803  17.733
  103    HA   LEU  17           HA       LEU  17 -10.653 -10.572  15.497
  104   1HB   LEU  17          1HB       LEU  17  -9.872  -8.264  14.595
  105   2HB   LEU  17          2HB       LEU  17 -10.835  -7.591  15.878
  106    HG   LEU  17           HG       LEU  17 -12.799  -8.973  14.974
  107   1HD1  LEU  17          1HD1      LEU  17 -13.092  -7.202  13.055
  108   2HD1  LEU  17          2HD1      LEU  17 -11.512  -6.616  13.547
  109   3HD1  LEU  17          3HD1      LEU  17 -12.859  -6.579  14.671
  110   1HD2  LEU  17          1HD2      LEU  17 -12.606 -10.034  12.922
  111   2HD2  LEU  17          2HD2      LEU  17 -10.893 -10.043  13.313
  112   3HD2  LEU  17          3HD2      LEU  17 -11.537  -8.803  12.274
  113    H    MET  18           H        MET  18  -8.553 -10.964  15.120
  114    HA   MET  18           HA       MET  18  -6.431  -9.785  16.878
  115   1HB   MET  18          1HB       MET  18  -6.975 -12.145  17.614
  116   2HB   MET  18          2HB       MET  18  -5.365 -12.046  16.943
  117   1HG   MET  18          1HG       MET  18  -6.946 -12.631  14.717
  118   2HG   MET  18          2HG       MET  18  -7.694 -13.530  15.995
  119   1HE   MET  18          1HE       MET  18  -6.341 -15.029  17.618
  120   2HE   MET  18          2HE       MET  18  -5.408 -16.303  16.869
  121   3HE   MET  18          3HE       MET  18  -7.068 -16.036  16.344
  122    H    CYS  19           H        CYS  19  -4.849 -11.851  14.884
  123    HA   CYS  19           HA       CYS  19  -5.224 -10.313  12.393
  124   1HB   CYS  19          1HB       CYS  19  -2.416 -10.261  13.224
  125   2HB   CYS  19          2HB       CYS  19  -3.502  -9.299  14.189
  126    H    SER  20           H        SER  20  -5.105 -11.409  10.780
  127    HA   SER  20           HA       SER  20  -3.832 -14.026  10.614
  128   1HB   SER  20          1HB       SER  20  -4.822 -13.673   8.095
  129   2HB   SER  20          2HB       SER  20  -5.768 -12.415   8.902
  130    HG   SER  20           HG       SER  20  -5.474 -14.996   9.995
  131    H    ARG  21           H        ARG  21  -1.858 -12.791  11.109
  132    HA   ARG  21           HA       ARG  21   0.282 -12.153  10.506
  133   1HB   ARG  21          1HB       ARG  21   1.092 -12.658   8.311
  134   2HB   ARG  21          2HB       ARG  21  -0.472 -12.416   7.561
  135   1HG   ARG  21          1HG       ARG  21  -1.344 -14.456   8.506
  136   2HG   ARG  21          2HG       ARG  21   0.016 -14.617   9.600
  137   1HD   ARG  21          1HD       ARG  21   1.470 -15.325   7.866
  138   2HD   ARG  21          2HD       ARG  21   0.495 -14.578   6.600
  139    HE   ARG  21           HE       ARG  21  -1.111 -16.546   7.835
  140   1HH1  ARG  21          1HH1      ARG  21   1.599 -17.864   5.244
  141   2HH1  ARG  21          2HH1      ARG  21   1.795 -16.302   5.965
  142   1HH2  ARG  21          1HH2      ARG  21  -1.385 -18.522   6.934
  143   2HH2  ARG  21          2HH2      ARG  21  -0.232 -19.143   5.801
  144    H    GLY  22           H        GLY  22  -2.349 -10.331  10.023
  145   1HA   GLY  22          1HA       GLY  22  -0.993  -8.141   8.527
  146   2HA   GLY  22          2HA       GLY  22  -1.368  -7.834  10.212
  147    H    LYS  23           H        LYS  23  -3.882  -9.628   9.496
  148    HA   LYS  23           HA       LYS  23  -5.553  -7.294   8.689
  149   1HB   LYS  23          1HB       LYS  23  -6.897  -9.040   7.288
  150   2HB   LYS  23          2HB       LYS  23  -5.472 -10.051   7.421
  151   1HG   LYS  23          1HG       LYS  23  -4.098  -8.252   6.392
  152   2HG   LYS  23          2HG       LYS  23  -5.523  -7.235   6.268
  153   1HD   LYS  23          1HD       LYS  23  -6.595  -9.041   4.833
  154   2HD   LYS  23          2HD       LYS  23  -5.080  -9.921   4.888
  155   1HE   LYS  23          1HE       LYS  23  -3.916  -8.207   3.680
  156   2HE   LYS  23          2HE       LYS  23  -5.220  -7.047   3.901
  157   1HZ   LYS  23          1HZ       LYS  23  -5.274  -7.940   1.704
  158   2HZ   LYS  23          2HZ       LYS  23  -6.643  -8.471   2.559
  159   3HZ   LYS  23          3HZ       LYS  23  -5.340  -9.530   2.298
  160    H    CYS  24           H        CYS  24  -7.301  -7.147  10.071
  161    HA   CYS  24           HA       CYS  24  -7.488  -8.947  12.254
  162   1HB   CYS  24          1HB       CYS  24  -9.632  -7.753  12.766
  163   2HB   CYS  24          2HB       CYS  24  -9.607  -7.052  11.189
  164    H    VAL  25           H        VAL  25  -8.530 -10.631  12.705
  165    HA   VAL  25           HA       VAL  25 -10.713 -11.687  11.058
  166    HB   VAL  25           HB       VAL  25  -9.451 -13.932  11.201
  167   1HG1  VAL  25          1HG1      VAL  25  -9.842 -12.560   9.070
  168   2HG1  VAL  25          2HG1      VAL  25  -8.435 -13.603   9.007
  169   3HG1  VAL  25          3HG1      VAL  25  -8.239 -11.881   9.291
  170   1HG2  VAL  25          1HG2      VAL  25  -7.593 -12.649  12.678
  171   2HG2  VAL  25          2HG2      VAL  25  -6.890 -12.360  11.107
  172   3HG2  VAL  25          3HG2      VAL  25  -7.161 -14.001  11.665
  173    H    SER  26           H        SER  26 -11.953 -13.070  12.185
  174    HA   SER  26           HA       SER  26 -12.280 -12.726  14.944
  175   1HB   SER  26          1HB       SER  26 -13.177 -15.096  13.261
  176   2HB   SER  26          2HB       SER  26 -14.126 -13.633  13.619
  177    HG   SER  26           HG       SER  26 -13.279 -15.696  15.333
  178    H    ILE  27           H        ILE  27 -11.506 -13.595  16.641
  179    HA   ILE  27           HA       ILE  27  -9.073 -15.012  16.746
  180    HB   ILE  27           HB       ILE  27 -10.069 -15.679  19.174
  181   1HG1  ILE  27          1HG1      ILE  27 -11.663 -13.152  18.701
  182   2HG1  ILE  27          2HG1      ILE  27 -11.620 -14.165  20.111
  183   1HG2  ILE  27          1HG2      ILE  27  -8.163 -14.162  18.784
  184   2HG2  ILE  27          2HG2      ILE  27  -9.241 -13.447  19.975
  185   3HG2  ILE  27          3HG2      ILE  27  -9.268 -12.873  18.316
  186   1HD1  ILE  27          1HD1      ILE  27 -13.618 -14.787  19.151
  187   2HD1  ILE  27          2HD1      ILE  27 -12.515 -16.030  18.581
  188   3HD1  ILE  27          3HD1      ILE  27 -13.000 -14.719  17.512
  189    H    TYR  28           H        TYR  28 -12.219 -16.155  16.237
  190    HA   TYR  28           HA       TYR  28 -11.619 -18.972  16.881
  191   1HB   TYR  28          1HB       TYR  28 -13.964 -19.370  16.201
  192   2HB   TYR  28          2HB       TYR  28 -14.107 -17.727  15.620
  193    HD1  TYR  28           HD1      TYR  28 -15.614 -16.621  17.006
  194    HD2  TYR  28           HD2      TYR  28 -12.662 -19.102  18.828
  195    HE1  TYR  28           HE1      TYR  28 -16.350 -15.881  19.217
  196    HE2  TYR  28           HE2      TYR  28 -13.402 -18.356  21.033
  197    HH   TYR  28           HH       TYR  28 -14.653 -16.099  21.891
  198    H    GLY  29           H        GLY  29 -12.538 -17.005  14.124
  199   1HA   GLY  29          1HA       GLY  29 -12.123 -17.186  11.840
  200   2HA   GLY  29          2HA       GLY  29 -12.402 -18.904  12.068
  201    H    GLU  30           H        GLU  30  -9.863 -16.675  13.067
  202    HA   GLU  30           HA       GLU  30  -7.742 -18.552  12.538
  203   1HB   GLU  30          1HB       GLU  30  -7.341 -16.032  10.960
  204   2HB   GLU  30          2HB       GLU  30  -8.574 -17.097  10.332
  205   1HG   GLU  30          1HG       GLU  30  -6.520 -17.765   9.323
  206   2HG   GLU  30          2HG       GLU  30  -6.945 -19.003  10.501
  Start of MODEL   19
    1   1H    SER   1          1H        SER   1 -12.835   4.333  16.130
    2   2H    SER   1          2H        SER   1 -12.822   2.634  16.076
    3   3H    SER   1          3H        SER   1 -11.524   3.512  15.424
    4    HA   SER   1           HA       SER   1 -10.814   4.229  17.506
    5   1HB   SER   1          1HB       SER   1 -12.144   3.424  19.591
    6   2HB   SER   1          2HB       SER   1 -13.414   2.941  18.448
    7    HG   SER   1           HG       SER   1 -13.877   5.018  18.904
    8    H    CYS   2           H        CYS   2 -11.419   1.654  15.948
    9    HA   CYS   2           HA       CYS   2  -9.232   0.062  17.066
   10   1HB   CYS   2          1HB       CYS   2 -11.179  -0.634  18.486
   11   2HB   CYS   2          2HB       CYS   2 -10.510  -1.935  17.547
   12    H    SER   3           H        SER   3  -8.565  -1.631  15.716
   13    HA   SER   3           HA       SER   3  -9.125  -1.179  12.882
   14   1HB   SER   3          1HB       SER   3  -7.272  -3.232  12.936
   15   2HB   SER   3          2HB       SER   3  -7.051  -2.590  14.554
   16    HG   SER   3           HG       SER   3  -6.721  -0.582  13.743
   17    H    GLY   4           H        GLY   4 -11.193  -1.939  12.459
   18   1HA   GLY   4          1HA       GLY   4 -12.955  -3.464  12.214
   19   2HA   GLY   4          2HA       GLY   4 -12.182  -4.435  13.438
   20    H    ARG   5           H        ARG   5 -13.165  -5.938  11.568
   21    HA   ARG   5           HA       ARG   5 -11.248  -7.600  10.606
   22   1HB   ARG   5          1HB       ARG   5 -13.029  -8.112   8.707
   23   2HB   ARG   5          2HB       ARG   5 -13.992  -6.913   9.547
   24   1HG   ARG   5          1HG       ARG   5 -13.536  -8.256  11.702
   25   2HG   ARG   5          2HG       ARG   5 -12.875  -9.514  10.668
   26   1HD   ARG   5          1HD       ARG   5 -15.065  -9.666   9.480
   27   2HD   ARG   5          2HD       ARG   5 -15.706  -8.411  10.539
   28    HE   ARG   5           HE       ARG   5 -14.554 -10.720  11.953
   29   1HH1  ARG   5          1HH1      ARG   5 -17.547 -11.786  13.058
   30   2HH1  ARG   5          2HH1      ARG   5 -15.817 -11.904  13.151
   31   1HH2  ARG   5          1HH2      ARG   5 -17.415  -9.308  10.577
   32   2HH2  ARG   5          2HH2      ARG   5 -18.465 -10.276  11.557
   33    H    ASP   6           H        ASP   6  -9.726  -7.622   9.342
   34    HA   ASP   6           HA       ASP   6  -8.482  -7.528   7.365
   35   1HB   ASP   6          1HB       ASP   6 -10.108  -5.149   6.407
   36   2HB   ASP   6          2HB       ASP   6 -10.672  -6.800   6.173
   37    H    SER   7           H        SER   7  -8.860  -5.055   9.607
   38    HA   SER   7           HA       SER   7  -6.894  -3.203   8.498
   39   1HB   SER   7          1HB       SER   7  -7.184  -2.103  10.803
   40   2HB   SER   7          2HB       SER   7  -8.266  -3.452  11.189
   41    HG   SER   7           HG       SER   7  -9.685  -2.748   9.877
   42    H    ARG   8           H        ARG   8  -4.892  -2.634   9.471
   43    HA   ARG   8           HA       ARG   8  -3.137  -4.800   9.934
   44   1HB   ARG   8          1HB       ARG   8  -2.437  -2.629   8.998
   45   2HB   ARG   8          2HB       ARG   8  -1.440  -3.064  10.362
   46   1HG   ARG   8          1HG       ARG   8  -3.863  -1.436  11.038
   47   2HG   ARG   8          2HG       ARG   8  -2.698  -0.621  10.028
   48   1HD   ARG   8          1HD       ARG   8  -1.013  -0.688  11.650
   49   2HD   ARG   8          2HD       ARG   8  -1.705  -2.078  12.488
   50    HE   ARG   8           HE       ARG   8  -3.672  -0.317  12.876
   51   1HH1  ARG   8          1HH1      ARG   8  -0.390   1.410  14.297
   52   2HH1  ARG   8          2HH1      ARG   8  -0.233   0.159  13.111
   53   1HH2  ARG   8          1HH2      ARG   8  -3.871   1.236  14.357
   54   2HH2  ARG   8          2HH2      ARG   8  -2.483   2.038  15.022
   55    H    CYS   9           H        CYS   9  -2.454  -5.806  11.687
   56    HA   CYS   9           HA       CYS   9  -2.637  -4.771  14.373
   57   1HB   CYS   9          1HB       CYS   9  -4.803  -5.499  14.410
   58   2HB   CYS   9          2HB       CYS   9  -4.043  -7.018  14.803
   59    HA   HYP  10           HA       HYP  10  -3.106  -6.145  16.313
   60   1HB   HYP  10          1HB       HYP  10  -3.457  -8.241  17.123
   61   2HB   HYP  10          2HB       HYP  10  -2.271  -7.787  18.340
   62   1HD   HYP  10          1HD1      HYP  10  -0.614  -8.955  14.703
   63   2HD   HYP  10          2HD1      HYP  10   0.348  -7.945  15.809
   64    HOD  HYP  10           HD2      HYP  10  -2.942  -9.664  15.830
   65    HG   HYP  10           HG       HYP  10  -0.687  -9.314  17.486
   66    HA   HYP  11           HA       HYP  11  -3.350  -6.304  18.924
   67   1HB   HYP  11          1HB       HYP  11  -2.255  -6.487  21.001
   68   2HB   HYP  11          2HB       HYP  11  -3.095  -4.985  21.336
   69   1HD   HYP  11          1HD1      HYP  11   0.399  -4.632  19.043
   70   2HD   HYP  11          2HD1      HYP  11  -0.802  -3.327  19.030
   71    HOD  HYP  11           HD2      HYP  11  -0.106  -5.768  22.067
   72    HG   HYP  11           HG       HYP  11  -1.006  -3.887  21.373
   73    H    VAL  12           H        VAL  12  -3.461  -4.585  16.990
   74    HA   VAL  12           HA       VAL  12  -4.645  -2.059  17.863
   75    HB   VAL  12           HB       VAL  12  -4.466  -3.014  15.020
   76   1HG1  VAL  12          1HG1      VAL  12  -4.201  -0.169  16.072
   77   2HG1  VAL  12          2HG1      VAL  12  -5.774  -0.855  15.720
   78   3HG1  VAL  12          3HG1      VAL  12  -4.597  -0.695  14.444
   79   1HG2  VAL  12          1HG2      VAL  12  -2.295  -1.597  16.646
   80   2HG2  VAL  12          2HG2      VAL  12  -2.234  -1.856  14.911
   81   3HG2  VAL  12          3HG2      VAL  12  -2.181  -3.225  15.999
   82    H    CYS  13           H        CYS  13  -5.781  -5.018  16.321
   83    HA   CYS  13           HA       CYS  13  -8.254  -4.024  15.495
   84   1HB   CYS  13          1HB       CYS  13  -8.999  -6.225  15.327
   85   2HB   CYS  13          2HB       CYS  13  -7.833  -6.823  16.485
   86    H    CYS  14           H        CYS  14 -10.235  -4.745  15.954
   87    HA   CYS  14           HA       CYS  14 -11.248  -3.747  18.424
   88   1HB   CYS  14          1HB       CYS  14 -13.444  -4.266  17.376
   89   2HB   CYS  14          2HB       CYS  14 -12.661  -5.307  16.246
   90    H    MET  15           H        MET  15 -12.971  -4.997  19.612
   91    HA   MET  15           HA       MET  15 -11.773  -7.190  20.946
   92   1HB   MET  15          1HB       MET  15 -14.185  -7.366  21.953
   93   2HB   MET  15          2HB       MET  15 -14.547  -5.966  20.963
   94   1HG   MET  15          1HG       MET  15 -12.035  -5.556  22.377
   95   2HG   MET  15          2HG       MET  15 -13.278  -6.029  23.491
   96   1HE   MET  15          1HE       MET  15 -11.613  -3.566  21.445
   97   2HE   MET  15          2HE       MET  15 -12.504  -2.073  21.586
   98   3HE   MET  15          3HE       MET  15 -13.004  -3.264  20.384
   99    H    GLY  16           H        GLY  16 -11.471  -9.087  20.128
  100   1HA   GLY  16          1HA       GLY  16 -13.639 -10.496  18.618
  101   2HA   GLY  16          2HA       GLY  16 -12.446 -11.276  19.652
  102    H    LEU  17           H        LEU  17 -11.261  -8.672  17.786
  103    HA   LEU  17           HA       LEU  17 -10.353 -10.424  15.588
  104   1HB   LEU  17          1HB       LEU  17  -9.549  -8.128  14.718
  105   2HB   LEU  17          2HB       LEU  17 -10.483  -7.468  16.030
  106    HG   LEU  17           HG       LEU  17 -12.499  -8.699  15.142
  107   1HD1  LEU  17          1HD1      LEU  17 -12.962  -6.853  13.606
  108   2HD1  LEU  17          2HD1      LEU  17 -11.273  -6.755  13.142
  109   3HD1  LEU  17          3HD1      LEU  17 -11.763  -6.200  14.711
  110   1HD2  LEU  17          1HD2      LEU  17 -10.576  -9.848  13.436
  111   2HD2  LEU  17          2HD2      LEU  17 -11.468  -8.780  12.392
  112   3HD2  LEU  17          3HD2      LEU  17 -12.318 -10.028  13.286
  113    H    MET  18           H        MET  18  -8.302 -10.794  15.117
  114    HA   MET  18           HA       MET  18  -6.099  -9.746  16.856
  115   1HB   MET  18          1HB       MET  18  -6.567 -12.103  17.521
  116   2HB   MET  18          2HB       MET  18  -5.061 -12.066  16.636
  117   1HG   MET  18          1HG       MET  18  -6.519 -12.585  14.544
  118   2HG   MET  18          2HG       MET  18  -7.768 -12.962  15.687
  119   1HE   MET  18          1HE       MET  18  -5.069 -14.181  13.515
  120   2HE   MET  18          2HE       MET  18  -4.211 -15.425  14.407
  121   3HE   MET  18          3HE       MET  18  -4.005 -13.747  14.876
  122    H    CYS  19           H        CYS  19  -4.620 -11.697  14.716
  123    HA   CYS  19           HA       CYS  19  -5.044 -10.141  12.255
  124   1HB   CYS  19          1HB       CYS  19  -2.230  -9.949  13.044
  125   2HB   CYS  19          2HB       CYS  19  -3.322  -9.081  14.086
  126    H    SER  20           H        SER  20  -4.985 -11.422  10.714
  127    HA   SER  20           HA       SER  20  -3.413 -13.905  10.765
  128   1HB   SER  20          1HB       SER  20  -4.751 -14.098   8.400
  129   2HB   SER  20          2HB       SER  20  -5.783 -12.884   9.163
  130    HG   SER  20           HG       SER  20  -6.520 -14.806   9.895
  131    H    ARG  21           H        ARG  21  -1.606 -12.440  10.800
  132    HA   ARG  21           HA       ARG  21   0.445 -11.970   9.831
  133   1HB   ARG  21          1HB       ARG  21  -0.574 -13.345   7.749
  134   2HB   ARG  21          2HB       ARG  21   0.908 -12.449   7.610
  135   1HG   ARG  21          1HG       ARG  21  -1.608 -10.928   6.919
  136   2HG   ARG  21          2HG       ARG  21  -1.144 -12.215   5.832
  137   1HD   ARG  21          1HD       ARG  21   0.367 -10.830   4.869
  138   2HD   ARG  21          2HD       ARG  21   1.245 -10.676   6.386
  139    HE   ARG  21           HE       ARG  21  -0.957  -8.999   6.676
  140   1HH1  ARG  21          1HH1      ARG  21   1.711  -7.634   4.069
  141   2HH1  ARG  21          2HH1      ARG  21   1.674  -9.324   4.441
  142   1HH2  ARG  21          1HH2      ARG  21  -0.931  -6.868   6.221
  143   2HH2  ARG  21          2HH2      ARG  21   0.212  -6.219   5.093
  144    H    GLY  22           H        GLY  22  -2.318 -10.055   9.682
  145   1HA   GLY  22          1HA       GLY  22  -0.877  -7.710   8.538
  146   2HA   GLY  22          2HA       GLY  22  -1.371  -7.620  10.222
  147    H    LYS  23           H        LYS  23  -3.759  -9.296   9.481
  148    HA   LYS  23           HA       LYS  23  -5.528  -7.065   8.659
  149   1HB   LYS  23          1HB       LYS  23  -6.776  -8.768   7.177
  150   2HB   LYS  23          2HB       LYS  23  -5.368  -9.806   7.322
  151   1HG   LYS  23          1HG       LYS  23  -3.938  -8.067   6.334
  152   2HG   LYS  23          2HG       LYS  23  -5.274  -6.932   6.322
  153   1HD   LYS  23          1HD       LYS  23  -6.478  -8.704   4.801
  154   2HD   LYS  23          2HD       LYS  23  -4.891  -9.424   4.631
  155   1HE   LYS  23          1HE       LYS  23  -5.147  -7.890   2.782
  156   2HE   LYS  23          2HE       LYS  23  -4.025  -7.129   3.899
  157   1HZ   LYS  23          1HZ       LYS  23  -6.149  -6.043   4.853
  158   2HZ   LYS  23          2HZ       LYS  23  -6.840  -6.481   3.369
  159   3HZ   LYS  23          3HZ       LYS  23  -5.487  -5.455   3.405
  160    H    CYS  24           H        CYS  24  -7.145  -7.017  10.083
  161    HA   CYS  24           HA       CYS  24  -7.275  -8.881  12.208
  162   1HB   CYS  24          1HB       CYS  24  -9.314  -7.646  12.864
  163   2HB   CYS  24          2HB       CYS  24  -9.413  -6.927  11.293
  164    H    VAL  25           H        VAL  25  -8.388 -10.495  12.696
  165    HA   VAL  25           HA       VAL  25 -10.642 -11.481  11.121
  166    HB   VAL  25           HB       VAL  25  -9.463 -13.718  11.109
  167   1HG1  VAL  25          1HG1      VAL  25  -8.405 -13.370   8.954
  168   2HG1  VAL  25          2HG1      VAL  25  -8.166 -11.663   9.280
  169   3HG1  VAL  25          3HG1      VAL  25  -9.788 -12.295   9.042
  170   1HG2  VAL  25          1HG2      VAL  25  -7.195 -13.921  11.663
  171   2HG2  VAL  25          2HG2      VAL  25  -7.505 -12.496  12.610
  172   3HG2  VAL  25          3HG2      VAL  25  -6.798 -12.334  11.026
  173    H    SER  26           H        SER  26 -11.867 -12.847  12.302
  174    HA   SER  26           HA       SER  26 -11.964 -12.560  15.102
  175   1HB   SER  26          1HB       SER  26 -13.750 -14.360  14.897
  176   2HB   SER  26          2HB       SER  26 -13.336 -14.427  13.168
  177    HG   SER  26           HG       SER  26 -13.677 -12.194  13.067
  178    H    ILE  27           H        ILE  27 -10.982 -13.517  16.654
  179    HA   ILE  27           HA       ILE  27  -8.916 -15.362  16.495
  180    HB   ILE  27           HB       ILE  27  -9.186 -15.784  18.828
  181   1HG1  ILE  27          1HG1      ILE  27 -11.009 -15.102  20.246
  182   2HG1  ILE  27          2HG1      ILE  27 -11.602 -16.195  19.027
  183   1HG2  ILE  27          1HG2      ILE  27  -9.537 -13.227  19.607
  184   2HG2  ILE  27          2HG2      ILE  27  -9.472 -12.949  17.876
  185   3HG2  ILE  27          3HG2      ILE  27  -8.132 -13.726  18.689
  186   1HD1  ILE  27          1HD1      ILE  27 -12.486 -14.283  17.728
  187   2HD1  ILE  27          2HD1      ILE  27 -11.808 -13.194  18.937
  188   3HD1  ILE  27          3HD1      ILE  27 -13.106 -14.280  19.367
  189    H    TYR  28           H        TYR  28 -12.270 -15.869  16.678
  190    HA   TYR  28           HA       TYR  28 -12.316 -18.720  17.157
  191   1HB   TYR  28          1HB       TYR  28 -14.716 -18.520  16.419
  192   2HB   TYR  28          2HB       TYR  28 -14.409 -16.868  15.922
  193    HD1  TYR  28           HD1      TYR  28 -15.373 -15.369  17.440
  194    HD2  TYR  28           HD2      TYR  28 -13.501 -18.870  18.995
  195    HE1  TYR  28           HE1      TYR  28 -15.831 -14.610  19.720
  196    HE2  TYR  28           HE2      TYR  28 -13.960 -18.102  21.268
  197    HH   TYR  28           HH       TYR  28 -14.342 -15.728  22.367
  198    H    GLY  29           H        GLY  29 -12.679 -16.742  14.247
  199   1HA   GLY  29          1HA       GLY  29 -12.248 -17.198  12.002
  200   2HA   GLY  29          2HA       GLY  29 -13.048 -18.738  12.323
  201    H    GLU  30           H        GLU  30 -10.126 -17.431  13.693
  202    HA   GLU  30           HA       GLU  30  -8.316 -19.149  12.167
  203   1HB   GLU  30          1HB       GLU  30  -6.702 -18.202  14.116
  204   2HB   GLU  30          2HB       GLU  30  -8.012 -17.066  14.331
  205   1HG   GLU  30          1HG       GLU  30  -6.469 -17.593  11.749
  206   2HG   GLU  30          2HG       GLU  30  -6.358 -16.152  12.746
  Start of MODEL   20
    1   1H    SER   1          1H        SER   1  -9.686   4.556  16.482
    2   2H    SER   1          2H        SER   1 -11.112   5.363  16.032
    3   3H    SER   1          3H        SER   1 -10.308   4.369  14.913
    4    HA   SER   1           HA       SER   1 -11.607   3.464  17.415
    5   1HB   SER   1          1HB       SER   1 -13.260   4.110  15.633
    6   2HB   SER   1          2HB       SER   1 -13.238   2.349  15.808
    7    HG   SER   1           HG       SER   1 -11.771   2.245  14.104
    8    H    CYS   2           H        CYS   2 -11.903   1.074  17.328
    9    HA   CYS   2           HA       CYS   2  -9.381  -0.248  17.145
   10   1HB   CYS   2          1HB       CYS   2 -11.280  -0.905  18.628
   11   2HB   CYS   2          2HB       CYS   2 -10.565  -2.227  17.751
   12    H    SER   3           H        SER   3  -8.760  -1.999  15.819
   13    HA   SER   3           HA       SER   3  -9.405  -1.608  12.994
   14   1HB   SER   3          1HB       SER   3  -7.493  -3.605  13.026
   15   2HB   SER   3          2HB       SER   3  -7.248  -2.934  14.630
   16    HG   SER   3           HG       SER   3  -7.360  -0.834  13.574
   17    H    GLY   4           H        GLY   4 -11.314  -2.506  12.382
   18   1HA   GLY   4          1HA       GLY   4 -13.092  -4.050  12.284
   19   2HA   GLY   4          2HA       GLY   4 -12.289  -4.973  13.528
   20    H    ARG   5           H        ARG   5 -13.262  -6.487  11.515
   21    HA   ARG   5           HA       ARG   5 -11.282  -8.114  10.642
   22   1HB   ARG   5          1HB       ARG   5 -12.925  -8.527   8.594
   23   2HB   ARG   5          2HB       ARG   5 -13.956  -7.414   9.469
   24   1HG   ARG   5          1HG       ARG   5 -13.585  -8.918  11.545
   25   2HG   ARG   5          2HG       ARG   5 -12.800 -10.060  10.472
   26   1HD   ARG   5          1HD       ARG   5 -15.117 -10.724  10.673
   27   2HD   ARG   5          2HD       ARG   5 -14.931 -10.032   9.059
   28    HE   ARG   5           HE       ARG   5 -15.676  -7.956  10.869
   29   1HH1  ARG   5          1HH1      ARG   5 -19.034  -8.182  10.284
   30   2HH1  ARG   5          2HH1      ARG   5 -17.742  -7.216  10.915
   31   1HH2  ARG   5          1HH2      ARG   5 -16.938 -10.818   9.370
   32   2HH2  ARG   5          2HH2      ARG   5 -18.573 -10.246   9.398
   33    H    ASP   6           H        ASP   6  -9.687  -8.096   9.545
   34    HA   ASP   6           HA       ASP   6  -8.199  -7.974   7.806
   35   1HB   ASP   6          1HB       ASP   6  -9.721  -5.888   6.265
   36   2HB   ASP   6          2HB       ASP   6 -10.448  -7.480   6.417
   37    H    SER   7           H        SER   7  -8.924  -5.487   9.797
   38    HA   SER   7           HA       SER   7  -7.191  -3.438   8.620
   39   1HB   SER   7          1HB       SER   7  -7.633  -2.301  10.878
   40   2HB   SER   7          2HB       SER   7  -8.555  -3.750  11.316
   41    HG   SER   7           HG       SER   7  -9.172  -1.764   9.560
   42    H    ARG   8           H        ARG   8  -5.212  -2.677   9.573
   43    HA   ARG   8           HA       ARG   8  -3.279  -4.651  10.040
   44   1HB   ARG   8          1HB       ARG   8  -2.856  -2.319   9.237
   45   2HB   ARG   8          2HB       ARG   8  -1.745  -2.822  10.484
   46   1HG   ARG   8          1HG       ARG   8  -4.218  -1.409  11.452
   47   2HG   ARG   8          2HG       ARG   8  -3.109  -0.439  10.514
   48   1HD   ARG   8          1HD       ARG   8  -2.112  -2.156  12.828
   49   2HD   ARG   8          2HD       ARG   8  -2.684  -0.517  13.082
   50    HE   ARG   8           HE       ARG   8  -0.192  -1.319  11.791
   51   1HH1  ARG   8          1HH1      ARG   8  -1.505   2.425  11.605
   52   2HH1  ARG   8          2HH1      ARG   8  -2.589   1.167  12.094
   53   1HH2  ARG   8          1HH2      ARG   8   1.189   0.247  11.166
   54   2HH2  ARG   8          2HH2      ARG   8   0.672   1.897  11.068
   55    H    CYS   9           H        CYS   9  -2.566  -5.724  11.751
   56    HA   CYS   9           HA       CYS   9  -2.812  -4.812  14.473
   57   1HB   CYS   9          1HB       CYS   9  -4.935  -5.649  14.451
   58   2HB   CYS   9          2HB       CYS   9  -4.086  -7.118  14.851
   59    HA   HYP  10           HA       HYP  10  -3.149  -6.213  16.369
   60   1HB   HYP  10          1HB       HYP  10  -3.400  -8.343  17.108
   61   2HB   HYP  10          2HB       HYP  10  -2.244  -7.867  18.347
   62   1HD   HYP  10          1HD1      HYP  10  -0.549  -8.877  14.672
   63   2HD   HYP  10          2HD1      HYP  10   0.374  -7.838  15.779
   64    HOD  HYP  10           HD2      HYP  10  -2.840  -9.772  15.891
   65    HG   HYP  10           HG       HYP  10  -0.560  -9.272  17.453
   66    HA   HYP  11           HA       HYP  11  -3.358  -6.418  18.981
   67   1HB   HYP  11          1HB       HYP  11  -2.260  -6.595  21.057
   68   2HB   HYP  11          2HB       HYP  11  -3.125  -5.112  21.409
   69   1HD   HYP  11          1HD1      HYP  11   0.336  -4.626  19.094
   70   2HD   HYP  11          2HD1      HYP  11  -0.911  -3.365  19.124
   71    HOD  HYP  11           HD2      HYP  11  -0.111  -6.482  20.479
   72    HG   HYP  11           HG       HYP  11  -1.049  -3.989  21.461
   73    H    VAL  12           H        VAL  12  -3.483  -4.662  17.080
   74    HA   VAL  12           HA       VAL  12  -4.768  -2.181  17.960
   75    HB   VAL  12           HB       VAL  12  -4.476  -3.160  15.143
   76   1HG1  VAL  12          1HG1      VAL  12  -4.441  -0.712  14.602
   77   2HG1  VAL  12          2HG1      VAL  12  -4.612  -0.335  16.308
   78   3HG1  VAL  12          3HG1      VAL  12  -5.912  -1.139  15.448
   79   1HG2  VAL  12          1HG2      VAL  12  -2.209  -3.249  16.029
   80   2HG2  VAL  12          2HG2      VAL  12  -2.424  -1.744  16.908
   81   3HG2  VAL  12          3HG2      VAL  12  -2.302  -1.731  15.159
   82    H    CYS  13           H        CYS  13  -5.695  -5.223  16.552
   83    HA   CYS  13           HA       CYS  13  -8.206  -4.494  15.562
   84   1HB   CYS  13          1HB       CYS  13  -8.796  -6.875  15.843
   85   2HB   CYS  13          2HB       CYS  13  -7.298  -7.108  16.702
   86    H    CYS  14           H        CYS  14 -10.163  -5.164  16.087
   87    HA   CYS  14           HA       CYS  14 -11.200  -4.094  18.514
   88   1HB   CYS  14          1HB       CYS  14 -13.402  -4.858  17.448
   89   2HB   CYS  14          2HB       CYS  14 -12.438  -5.716  16.312
   90    H    MET  15           H        MET  15 -12.826  -5.300  19.822
   91    HA   MET  15           HA       MET  15 -11.573  -7.505  21.127
   92   1HB   MET  15          1HB       MET  15 -14.484  -6.600  21.395
   93   2HB   MET  15          2HB       MET  15 -13.150  -5.785  22.183
   94   1HG   MET  15          1HG       MET  15 -12.564  -7.824  23.401
   95   2HG   MET  15          2HG       MET  15 -13.788  -8.724  22.553
   96   1HE   MET  15          1HE       MET  15 -12.846  -6.944  25.697
   97   2HE   MET  15          2HE       MET  15 -14.274  -6.044  26.174
   98   3HE   MET  15          3HE       MET  15 -13.366  -5.514  24.773
   99    H    GLY  16           H        GLY  16 -11.350  -9.362  20.055
  100   1HA   GLY  16          1HA       GLY  16 -13.739 -10.577  18.713
  101   2HA   GLY  16          2HA       GLY  16 -12.599 -11.501  19.684
  102    H    LEU  17           H        LEU  17 -11.030  -9.075  17.985
  103    HA   LEU  17           HA       LEU  17 -10.269 -10.829  15.708
  104   1HB   LEU  17          1HB       LEU  17  -9.575  -8.488  14.784
  105   2HB   LEU  17          2HB       LEU  17 -10.590  -7.863  16.050
  106    HG   LEU  17           HG       LEU  17 -12.480  -9.317  15.146
  107   1HD1  LEU  17          1HD1      LEU  17 -11.271  -6.943  13.692
  108   2HD1  LEU  17          2HD1      LEU  17 -12.633  -6.954  14.799
  109   3HD1  LEU  17          3HD1      LEU  17 -12.817  -7.611  13.196
  110   1HD2  LEU  17          1HD2      LEU  17 -10.382 -10.144  13.394
  111   2HD2  LEU  17          2HD2      LEU  17 -11.480  -9.218  12.409
  112   3HD2  LEU  17          3HD2      LEU  17 -12.074 -10.609  13.295
  113    H    MET  18           H        MET  18  -8.148 -11.002  15.189
  114    HA   MET  18           HA       MET  18  -6.020  -9.831  16.924
  115   1HB   MET  18          1HB       MET  18  -6.466 -12.223  17.634
  116   2HB   MET  18          2HB       MET  18  -4.878 -12.056  16.921
  117   1HG   MET  18          1HG       MET  18  -6.464 -12.636  14.719
  118   2HG   MET  18          2HG       MET  18  -7.219 -13.551  15.973
  119   1HE   MET  18          1HE       MET  18  -5.911 -15.167  17.528
  120   2HE   MET  18          2HE       MET  18  -4.984 -16.408  16.718
  121   3HE   MET  18          3HE       MET  18  -6.632 -16.088  16.187
  122    H    CYS  19           H        CYS  19  -4.369 -11.775  14.883
  123    HA   CYS  19           HA       CYS  19  -4.901 -10.289  12.388
  124   1HB   CYS  19          1HB       CYS  19  -2.108  -9.942  13.153
  125   2HB   CYS  19          2HB       CYS  19  -3.252  -9.112  14.170
  126    H    SER  20           H        SER  20  -4.647 -11.347  10.751
  127    HA   SER  20           HA       SER  20  -3.089 -13.817  10.620
  128   1HB   SER  20          1HB       SER  20  -4.183 -13.645   8.129
  129   2HB   SER  20          2HB       SER  20  -5.258 -12.497   8.941
  130    HG   SER  20           HG       SER  20  -4.638 -15.145   9.739
  131    H    ARG  21           H        ARG  21  -1.282 -12.366  11.061
  132    HA   ARG  21           HA       ARG  21   0.779 -11.538  10.440
  133   1HB   ARG  21          1HB       ARG  21   1.589 -11.826   8.202
  134   2HB   ARG  21          2HB       ARG  21  -0.017 -11.819   7.506
  135   1HG   ARG  21          1HG       ARG  21  -0.536 -13.972   8.427
  136   2HG   ARG  21          2HG       ARG  21   0.836 -13.919   9.518
  137   1HD   ARG  21          1HD       ARG  21   2.291 -13.813   7.304
  138   2HD   ARG  21          2HD       ARG  21   0.819 -14.338   6.501
  139    HE   ARG  21           HE       ARG  21   1.091 -16.464   7.448
  140   1HH1  ARG  21          1HH1      ARG  21   3.974 -15.360   9.949
  141   2HH1  ARG  21          2HH1      ARG  21   3.125 -14.153   9.043
  142   1HH2  ARG  21          1HH2      ARG  21   2.151 -18.002   8.582
  143   2HH2  ARG  21          2HH2      ARG  21   3.417 -17.571   9.684
  144    H    GLY  22           H        GLY  22  -2.004  -9.926  10.015
  145   1HA   GLY  22          1HA       GLY  22  -0.790  -7.590   8.599
  146   2HA   GLY  22          2HA       GLY  22  -1.232  -7.361  10.278
  147    H    LYS  23           H        LYS  23  -3.573  -9.282   9.523
  148    HA   LYS  23           HA       LYS  23  -5.445  -7.112   8.733
  149   1HB   LYS  23          1HB       LYS  23  -6.581  -8.954   7.247
  150   2HB   LYS  23          2HB       LYS  23  -5.059  -9.803   7.371
  151   1HG   LYS  23          1HG       LYS  23  -3.894  -7.772   6.440
  152   2HG   LYS  23          2HG       LYS  23  -5.449  -6.992   6.262
  153   1HD   LYS  23          1HD       LYS  23  -5.212  -7.885   4.122
  154   2HD   LYS  23          2HD       LYS  23  -6.067  -9.205   4.891
  155   1HE   LYS  23          1HE       LYS  23  -4.200 -10.199   3.743
  156   2HE   LYS  23          2HE       LYS  23  -3.764 -10.219   5.445
  157   1HZ   LYS  23          1HZ       LYS  23  -2.478  -8.220   5.118
  158   2HZ   LYS  23          2HZ       LYS  23  -2.932  -8.161   3.482
  159   3HZ   LYS  23          3HZ       LYS  23  -1.965  -9.437   4.049
  160    H    CYS  24           H        CYS  24  -7.185  -7.206  10.140
  161    HA   CYS  24           HA       CYS  24  -7.139  -9.119  12.236
  162   1HB   CYS  24          1HB       CYS  24  -9.323  -8.192  12.898
  163   2HB   CYS  24          2HB       CYS  24  -9.489  -7.411  11.369
  164    H    VAL  25           H        VAL  25  -8.209 -10.762  12.750
  165    HA   VAL  25           HA       VAL  25 -10.276 -12.023  11.122
  166    HB   VAL  25           HB       VAL  25  -8.834 -14.176  11.441
  167   1HG1  VAL  25          1HG1      VAL  25  -9.429 -13.130   9.207
  168   2HG1  VAL  25          2HG1      VAL  25  -7.888 -13.967   9.181
  169   3HG1  VAL  25          3HG1      VAL  25  -7.932 -12.216   9.279
  170   1HG2  VAL  25          1HG2      VAL  25  -6.420 -12.414  11.065
  171   2HG2  VAL  25          2HG2      VAL  25  -6.520 -14.031  11.748
  172   3HG2  VAL  25          3HG2      VAL  25  -7.019 -12.647  12.690
  173    H    SER  26           H        SER  26 -11.412 -13.435  12.484
  174    HA   SER  26           HA       SER  26 -11.501 -12.738  15.186
  175   1HB   SER  26          1HB       SER  26 -12.496 -15.367  14.069
  176   2HB   SER  26          2HB       SER  26 -13.397 -13.843  13.943
  177    HG   SER  26           HG       SER  26 -12.765 -13.780  16.326
  178    H    ILE  27           H        ILE  27 -10.861 -13.608  17.009
  179    HA   ILE  27           HA       ILE  27  -8.332 -14.900  17.164
  180    HB   ILE  27           HB       ILE  27  -9.341 -15.502  19.625
  181   1HG1  ILE  27          1HG1      ILE  27 -10.951 -13.042  18.909
  182   2HG1  ILE  27          2HG1      ILE  27 -10.846 -13.819  20.465
  183   1HG2  ILE  27          1HG2      ILE  27  -8.546 -12.712  18.718
  184   2HG2  ILE  27          2HG2      ILE  27  -7.428 -13.989  19.189
  185   3HG2  ILE  27          3HG2      ILE  27  -8.510 -13.281  20.377
  186   1HD1  ILE  27          1HD1      ILE  27 -11.701 -15.936  19.266
  187   2HD1  ILE  27          2HD1      ILE  27 -12.253 -14.818  18.026
  188   3HD1  ILE  27          3HD1      ILE  27 -12.836 -14.653  19.672
  189    H    TYR  28           H        TYR  28 -11.462 -16.071  16.702
  190    HA   TYR  28           HA       TYR  28 -10.898 -18.859  17.452
  191   1HB   TYR  28          1HB       TYR  28 -13.241 -19.235  16.639
  192   2HB   TYR  28          2HB       TYR  28 -13.298 -17.569  16.098
  193    HD1  TYR  28           HD1      TYR  28 -14.803 -16.436  17.508
  194    HD2  TYR  28           HD2      TYR  28 -11.969 -19.079  19.286
  195    HE1  TYR  28           HE1      TYR  28 -15.525 -15.727  19.724
  196    HE2  TYR  28           HE2      TYR  28 -12.693 -18.361  21.499
  197    HH   TYR  28           HH       TYR  28 -15.330 -17.132  22.262
  198    H    GLY  29           H        GLY  29 -11.900 -17.187  14.504
  199   1HA   GLY  29          1HA       GLY  29 -10.985 -19.398  12.853
  200   2HA   GLY  29          2HA       GLY  29  -9.999 -17.950  12.709
  201    H    GLU  30           H        GLU  30 -13.017 -16.799  13.260
  202    HA   GLU  30           HA       GLU  30 -14.198 -17.212  10.626
  203   1HB   GLU  30          1HB       GLU  30 -15.928 -15.671  11.424
  204   2HB   GLU  30          2HB       GLU  30 -14.947 -15.242  12.802
  205   1HG   GLU  30          1HG       GLU  30 -15.056 -18.070  12.940
  206   2HG   GLU  30          2HG       GLU  30 -16.649 -17.633  12.358