*HEADER    TOXIN                                   03-FEB-16   2NBC              
*TITLE     RESONANCE ASSIGNMENTS AND STRUCTURE DETERMINATION OF PONERITOXIN,     
*TITLE    2 OMEGA-PONTX-AE1A, FROM ANOCHETUS EMARGINATUS                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PONERITOXIN;                                               
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ANOCHETUS EMARGINATUS;                          
*SOURCE   3 ORGANISM_COMMON: ANTS;                                               
*SOURCE   4 ORGANISM_TAXID: 486636                                               
*KEYWDS    ANTS, ANOCHETUS, NEUROTOXIN, DISULFIDE BOND, VENOM, TOXIN             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.K.-Y.CHIN, A.TOUCHARD, G.F.KING                                     
*REVDAT   1   11-JAN-17 2NBC    0                                                


  7 ARG  H      15 SER  H       4.12            #peak 7 #SUP 0.62 #QF 0.62
 14 CYSS HA     15 SER  H       3.45            #peak 8 #SUP 0.99 #QF 0.99
 15 SER  H      15 SER  HB2     3.69            #peak 12 #SUP 0.95 #QF 0.95
 15 SER  H      15 SER  HB3     3.81            #peak 13 #SUP 0.97 #QF 0.97
  9 LYS  QE     15 SER  H       4.76            #peak 14 #SUP 0.99 #QF 0.69
 14 CYSS HB3    15 SER  H       5.01            #peak 14 #SUP 0.99 #QF 0.69
 14 CYSS HB2    15 SER  H       4.45            #peak 17 #SUP 1.00
 16 CYSS H      16 CYSS HB2     3.94            #peak 20 #SUP 0.97 #QF 0.97
 15 SER  HA     16 CYSS H       3.54            #peak 22 #SUP 0.83 #QF 0.83
  5 GLY  H       6 CYSS H       3.33            #peak 25 #SUP 0.95 #QF 0.95
  7 ARG  H       7 ARG  HG2     4.89            #peak 35 #SUP 0.97 #QF 0.63
  7 ARG  H       7 ARG  HG3     4.89            #peak 35 #SUP 0.97 #QF 0.63
  6 CYSS HA      7 ARG  H       3.04            #peak 36 #SUP 0.90 #QF 0.90
  7 ARG  H      16 CYSS HA      4.39            #peak 37 #SUP 0.91 #QF 0.91
  4 SER  QB      5 GLY  H       3.84            #peak 41 #SUP 0.99 #QF 0.99
  6 CYSS HB2     7 ARG  H       4.04            #peak 42 #SUP 0.99 #QF 0.99
  6 CYSS HB3     7 ARG  H       3.48            #peak 43 #SUP 0.98 #QF 0.98
  7 ARG  H       7 ARG  HB3     3.70            #peak 44 #SUP 1.00
  7 ARG  H       7 ARG  HB2     3.70            #peak 45 #SUP 0.88 #QF 0.88
  3 ALA  QB      5 GLY  H       4.97            #peak 50 #SUP 0.79 #QF 0.34
  9 LYS  HA     10 ARG  H       3.27            #peak 52 #SUP 0.71 #QF 0.71
 13 GLY  HA2    14 CYSS H       3.15            #peak 57 #SUP 0.95 #QF 0.95
 13 GLY  HA3    14 CYSS H       2.99            #peak 58 #SUP 0.87 #QF 0.87
  9 LYS  QE     14 CYSS H       3.20            #peak 59 #SUP 0.66 #QF 0.66
 14 CYSS H      14 CYSS HB2     3.74            #peak 60 #SUP 0.96 #QF 0.96
  9 LYS  HD3    14 CYSS H       4.85            #peak 61 #SUP 0.98 #QF 0.98
  9 LYS  HB2    11 HIS  H       4.44            #peak 72 #SUP 0.94 #QF 0.42
 10 ARG  HB2    11 HIS  H       5.00            #peak 72 #SUP 0.94 #QF 0.42
 10 ARG  HB3    11 HIS  H       5.00            #peak 73 #SUP 0.97 #QF 0.97
  9 LYS  HB3    11 HIS  H       4.69            #peak 74 #SUP 0.59 #QF 0.59
  7 ARG  HA      8 LYS  H       2.75            #peak 78 #SUP 0.68 #QF 0.68
  7 ARG  HG2     8 LYS  H       5.50            #peak 80 #SUP 0.95 #QF 0.86
  7 ARG  HG3     8 LYS  H       5.50            #peak 80 #SUP 0.95 #QF 0.86
  8 LYS  H       8 LYS  HB3     3.47            #peak 81 #SUP 0.87 #QF 0.87
  8 LYS  H       8 LYS  HB2     3.47            #peak 87 #SUP 1.00
  2 CYSS HA      3 ALA  H       2.68            #peak 91 #SUP 0.81 #QF 0.81
  3 ALA  HA      4 SER  H       2.64            #peak 93 #SUP 0.97 #QF 0.97
  3 ALA  H       6 CYSS HB2     3.95            #peak 95 #SUP 0.99 #QF 0.99
  3 ALA  H      14 CYSS HB2     4.79            #peak 96 #SUP 0.84 #QF 0.84
  2 CYSS HB3     3 ALA  H       3.30            #peak 97 #SUP 0.96 #QF 0.96
  3 ALA  H       6 CYSS HB3     4.98            #peak 98 #SUP 0.99 #QF 0.99
  2 CYSS HB2     3 ALA  H       3.93            #peak 99 #SUP 1.00
  3 ALA  H       3 ALA  QB      2.53            #peak 100 #SUP 0.84 #QF 0.84
  4 SER  H       4 SER  QB      2.92            #peak 103 #SUP 0.97 #QF 0.97
  9 LYS  H      14 CYSS HA      3.82            #peak 122 #SUP 0.95 #QF 0.95
  8 LYS  HA      9 LYS  H       2.51            #peak 123 #SUP 0.81 #QF 0.81
  8 LYS  HG2     9 LYS  H       4.47            #peak 125 #SUP 0.98 #QF 0.95
  8 LYS  HG3     9 LYS  H       4.47            #peak 125 #SUP 0.98 #QF 0.95
  9 LYS  H       9 LYS  HG3     3.17            #peak 126 #SUP 0.78 #QF 0.78
  9 LYS  H       9 LYS  HB2     2.92            #peak 127 #SUP 0.94 #QF 0.94
  9 LYS  H       9 LYS  HB3     4.06            #peak 128 #SUP 0.99 #QF 0.99
  8 LYS  HB2     9 LYS  H       4.19            #peak 129 #SUP 0.97 #QF 0.97
  8 LYS  QE      9 LYS  H       5.35            #peak 131 #SUP 0.99 #QF 0.47
  9 LYS  H       9 LYS  QE      5.50            #peak 131 #SUP 0.99 #QF 0.47
  8 LYS  HB3     9 LYS  H       4.19            #peak 138 #SUP 0.89 #QF 0.89
  9 LYS  H       9 LYS  HG2     3.91            #peak 142 #SUP 0.89 #QF 0.89
  6 CYSS H       6 CYSS HB2     3.06            #peak 145 #SUP 0.95 #QF 0.95
  4 SER  QB      6 CYSS H       4.57            #peak 146 #SUP 0.94 #QF 0.94
  2 CYSS HB3     6 CYSS H       4.71            #peak 149 #SUP 0.96 #QF 0.96
  6 CYSS H       6 CYSS HB3     3.68            #peak 150 #SUP 0.99 #QF 0.99
  3 ALA  QB      6 CYSS H       4.37            #peak 151 #SUP 0.95 #QF 0.95
  1 TRP  HE3     2 CYSS HA      4.30            #peak 163 #SUP 0.56 #QF 0.56
  1 TRP  HZ2     3 ALA  HA      4.01            #peak 164 #SUP 0.97 #QF 0.97
  1 TRP  HA      1 TRP  HE3     4.25            #peak 165 #SUP 0.79 #QF 0.79
  1 TRP  QB      1 TRP  HE3     3.19            #peak 169 #SUP 0.92 #QF 0.92
  1 TRP  HE3     3 ALA  QB      5.50            #peak 170 #SUP 0.99 #QF 0.79
  1 TRP  HZ2     3 ALA  QB      5.50            #peak 170 #SUP 0.99 #QF 0.79
 16 CYSS HB3    17 CAM  H2      4.16            #peak 186 #SUP 0.98 #QF 0.98
  1 TRP  HA      1 TRP  HD1     4.00            #peak 187 #SUP 0.79 #QF 0.79
 11 HIS  HA     11 HIS  HD2     4.48            #peak 188 #SUP 0.84 #QF 0.84
 16 CYSS HA     17 CAM  H2      3.78            #peak 190 #SUP 0.93 #QF 0.93
  1 TRP  HH2     3 ALA  HA      4.24            #peak 191 #SUP 1.00
  1 TRP  HZ3     3 ALA  HA      4.49            #peak 192 #SUP 0.99 #QF 0.99
 16 CYSS HB2    17 CAM  H2      4.34            #peak 195 #SUP 0.98 #QF 0.98
  1 TRP  QB      1 TRP  HD1     3.20            #peak 196 #SUP 0.90 #QF 0.90
 16 CYSS HB3    17 CAM  H1      3.77            #peak 198 #SUP 0.86 #QF 0.73
 10 ARG  QD     11 HIS  HD2     4.73            #peak 199 #SUP 0.89 #QF 0.89
 10 ARG  HB2    11 HIS  HD2     4.91            #peak 201 #SUP 0.91 #QF 0.91
  1 TRP  HH2     3 ALA  QB      4.01            #peak 202 #SUP 0.91 #QF 0.84
  1 TRP  HZ3     3 ALA  QB      4.09            #peak 203 #SUP 0.97 #QF 0.97
  9 LYS  QE     15 SER  HA      4.27            #peak 208 #SUP 0.75 #QF 0.75
  2 CYSS HA      3 ALA  HA      4.41            #peak 211 #SUP 0.88 #QF 0.88
  6 CYSS HB3    16 CYSS HA      4.37            #peak 214 #SUP 0.95 #QF 0.95
  8 LYS  HA     14 CYSS HA      3.95            #peak 221 #SUP 0.96 #QF 0.96
  6 CYSS HA     16 CYSS HA      4.39            #peak 222 #SUP 0.94 #QF 0.94
  3 ALA  QB      6 CYSS HB2     4.12            #peak 233 #SUP 0.97 #QF 0.97
  9 LYS  QE     13 GLY  HA2     4.51            #peak 238 #SUP 0.74 #QF 0.74
 13 GLY  HA2    14 CYSS HB2     5.20            #peak 240 #SUP 0.97 #QF 0.97
  2 CYSS HB3     3 ALA  HA      5.34            #peak 241 #SUP 0.96 #QF 0.96
 13 GLY  HA3    14 CYSS HB2     5.44            #peak 243 #SUP 0.98 #QF 0.98
  9 LYS  QE     13 GLY  HA3     4.71            #peak 244 #SUP 0.62 #QF 0.62
  8 LYS  HA     14 CYSS HB2     5.50            #peak 246 #SUP 0.92 #QF 0.92
  2 CYSS HB3     8 LYS  HA      4.98            #peak 247 #SUP 0.84 #QF 0.84
  2 CYSS HB2     8 LYS  HA      5.50            #peak 248 #SUP 0.65 #QF 0.65
  2 CYSS HB2     7 ARG  HA      5.05            #peak 249 #SUP 0.83 #QF 0.83
  2 CYSS HB3     7 ARG  HA      5.19            #peak 250 #SUP 0.86 #QF 0.86
  6 CYSS HA     16 CYSS HB3     5.45            #peak 251 #SUP 0.94 #QF 0.94
  9 LYS  HG2    15 SER  HB2     4.00            #peak 252 #SUP 0.70 #QF 0.52
  9 LYS  HG2    15 SER  HB3     3.74            #peak 253 #SUP 0.41 #QF 0.41
  7 ARG  HB3    15 SER  HB3     4.23            #peak 257 #SUP 0.96 #QF 0.96
  7 ARG  HB2    15 SER  HB2     4.92            #peak 258 #SUP 0.79 #QF 0.79
  7 ARG  HB2    15 SER  HB3     4.23            #peak 259 #SUP 0.91 #QF 0.91
  9 LYS  HD3    15 SER  HB3     3.80            #peak 260 #SUP 0.88 #QF 0.88
  9 LYS  HD3    15 SER  HB2     3.80            #peak 261 #SUP 0.98 #QF 0.85
 10 ARG  HB2    10 ARG  QD      3.68            #peak 264 #SUP 0.96 #QF 0.96
  7 ARG  HB3    15 SER  HB2     4.92            #peak 274 #SUP 0.99 #QF 0.51
  9 LYS  HB3    15 SER  HB2     5.24            #peak 274 #SUP 0.99 #QF 0.51
  9 LYS  HD2    13 GLY  HA3     5.50            #peak 284 #SUP 0.95 #QF 0.31
  9 LYS  HD3    13 GLY  HA3     5.50            #peak 284 #SUP 0.95 #QF 0.31
  9 LYS  HB2    13 GLY  HA3     4.55            #peak 285 #SUP 0.68 #QF 0.68
  3 ALA  QB      4 SER  HA      4.68            #peak 286 #SUP 0.60 #QF 0.60
  9 LYS  HA      9 LYS  HG2     3.47            #peak 287 #SUP 0.85 #QF 0.85
  9 LYS  HA      9 LYS  HG3     3.55            #peak 288 #SUP 0.94 #QF 0.94
  8 LYS  HA      8 LYS  HG2     4.10            #peak 293 #SUP 0.99 #QF 0.77
  8 LYS  HA      8 LYS  HG3     4.10            #peak 293 #SUP 0.99 #QF 0.77
  7 ARG  HA      7 ARG  HG2     4.15            #peak 296 #SUP 1.00 #QF 0.98
  7 ARG  HA      7 ARG  HG3     4.15            #peak 296 #SUP 1.00 #QF 0.98
  2 CYSS HA      3 ALA  QB      4.25            #peak 297 #SUP 0.83 #QF 0.83
  9 LYS  HG3    14 CYSS HA      4.40            #peak 298 #SUP 0.99 #QF 0.99
  3 ALA  QB      4 SER  QB      4.04            #peak 303 #SUP 0.92 #QF 0.92
  2 CYSS HB3     6 CYSS HB2     3.31            #peak 313 #SUP 0.98 #QF 0.98
  2 CYSS HB2     6 CYSS HB2     3.43            #peak 314 #SUP 0.78 #QF 0.78
 10 ARG  HB3    10 ARG  QD      3.68            #peak 326 #SUP 0.95 #QF 0.95
  9 LYS  HB3     9 LYS  QE      4.59            #peak 327 #SUP 0.92 #QF 0.92
  6 CYSS HB3    14 CYSS HB2     3.88            #peak 329 #SUP 0.98 #QF 0.98
  6 CYSS HB3    14 CYSS HB3     3.78            #peak 331 #SUP 0.95 #QF 0.95
  6 CYSS HB3    15 SER  H       4.86            #peak 333 #SUP 0.98 #QF 0.98
  6 CYSS HB2    14 CYSS HB3     4.59            #peak 336 #SUP 0.98 #QF 0.98
  6 CYSS HB2    14 CYSS HB2     4.75            #peak 337 #SUP 0.96 #QF 0.96
 10 ARG  HA     10 ARG  QD      4.01            #peak 340 #SUP 0.96 #QF 0.96
  3 ALA  QB      6 CYSS HB3     4.99            #peak 346 #SUP 0.87 #QF 0.87
  2 CYSS HB3     3 ALA  QB      4.50            #peak 347 #SUP 0.59 #QF 0.59
  6 CYSS HA      7 ARG  HG2     5.50            #peak 358 #SUP 0.84 #QF 0.50
  6 CYSS HA      7 ARG  HG3     5.50            #peak 358 #SUP 0.84 #QF 0.50
  6 CYSS HB3    14 CYSS HA      4.96            #peak 359 #SUP 0.96 #QF 0.96
  2 CYSS HB2    14 CYSS HA      4.98            #peak 360 #SUP 0.92 #QF 0.92
  2 CYSS HB3    14 CYSS HA      4.60            #peak 361 #SUP 0.88 #QF 0.88
 14 CYSS HA     15 SER  HB2     5.31            #peak 362 #SUP 0.86 #QF 0.86
 14 CYSS HA     15 SER  HB3     5.02            #peak 363 #SUP 0.89 #QF 0.89
  9 LYS  HD3    15 SER  HA      4.97            #peak 366 #SUP 0.99 #QF 0.86
  9 LYS  HB3    12 GLY  H       5.29            #peak 367 #SUP 0.93 #QF 0.93
  9 LYS  HB2    12 GLY  H       4.78            #peak 368 #SUP 0.70 #QF 0.70
  9 LYS  HD3    15 SER  H       5.50            #peak 369 #SUP 0.93 #QF 0.68
  9 LYS  HG3    15 SER  H       4.63            #peak 370 #SUP 0.76 #QF 0.76
 16 CYSS HB2    17 CAM  H1      4.69            #peak 372 #SUP 0.98 #QF 0.98
 11 HIS  HB3    12 GLY  H       5.27            #peak 373 #SUP 0.96 #QF 0.96
 11 HIS  HB2    12 GLY  H       5.27            #peak 374 #SUP 0.79 #QF 0.79
  7 ARG  H      14 CYSS HB2     5.50            #peak 375 #SUP 0.97 #QF 0.97
  2 CYSS HB3     5 GLY  H       5.50            #peak 376 #SUP 0.99 #QF 0.75
  2 CYSS HB3     7 ARG  H       5.50            #peak 376 #SUP 0.99 #QF 0.75
  8 LYS  HA     15 SER  H       5.28            #peak 377 #SUP 0.95 #QF 0.95
  1 TRP  HZ3     2 CYSS HA      5.06            #peak 378 #SUP 0.73 #QF 0.73
  9 LYS  H      15 SER  H       5.34            #peak 379 #SUP 0.94 #QF 0.94
 10 ARG  HB3    11 HIS  HD2     4.91            #peak 384 #SUP 0.91 #QF 0.91
  7 ARG  H       7 ARG  HD2     5.50            #peak 386 #SUP 0.99 #QF 0.89
  7 ARG  H       7 ARG  HD3     5.50            #peak 386 #SUP 0.99 #QF 0.89
  2 CYSS HB2     6 CYSS H       4.91            #peak 389 #SUP 0.91 #QF 0.91
 15 SER  HB3    16 CYSS H       5.46            #peak 395 #SUP 0.99 #QF 0.99
 15 SER  HB2    16 CYSS H       5.50            #peak 396 #SUP 0.97 #QF 0.97
  6 CYSS HB3    16 CYSS H       5.50            #peak 397 #SUP 0.78 #QF 0.78
  6 CYSS HB2    16 CYSS HA      5.18            #peak 398 #SUP 0.95 #QF 0.95
  2 CYSS HA     14 CYSS HB2     5.50            #peak 400 #SUP 0.92 #QF 0.84
 14 CYSS HB2    15 SER  HA      5.50            #peak 400 #SUP 0.92 #QF 0.84
  2 CYSS HA     14 CYSS HB3     5.11            #peak 401 #SUP 0.48 #QF 0.32
  7 ARG  HA      7 ARG  HD2     5.18            #peak 402 #SUP 0.96 #QF 0.72
  7 ARG  HA      7 ARG  HD3     5.18            #peak 402 #SUP 0.96 #QF 0.72
  8 LYS  HA      9 LYS  HB2     4.86            #peak 403 #SUP 0.97 #QF 0.97
  5 GLY  QA      6 CYSS H       3.09            #peak 148
  7 ARG  H       7 ARG  QB      3.09            #peak 45
  7 ARG  H       7 ARG  QG      4.23            #peak 35
  7 ARG  HA      7 ARG  QG      3.51            #peak 296
  7 ARG  HA      7 ARG  QD      4.42            #peak 402
  7 ARG  QB      7 ARG  QD      3.26            #peak 320
  7 ARG  QB      7 ARG  HE      5.34            #peak 382
  7 ARG  QB      8 LYS  H       3.59            #peak 83
  7 ARG  QB     15 SER  HB2     4.25            #peak 258
  7 ARG  QB     15 SER  HB3     3.72            #peak 259
  7 ARG  QG      8 LYS  H       4.71            #peak 80
  8 LYS  H       8 LYS  QB      2.85            #peak 81
  8 LYS  H       8 LYS  QG      3.38            #peak 79
  8 LYS  HA      8 LYS  QG      3.57            #peak 293
  8 LYS  QB      9 LYS  H       3.40            #peak 129
  8 LYS  QG      9 LYS  H       3.78            #peak 125
 10 ARG  H      10 ARG  QG      4.10            #peak 49
 10 ARG  HA     10 ARG  QG      3.54            #peak 302
 10 ARG  QB     10 ARG  QD      3.19            #peak 264
 10 ARG  QB     11 HIS  H       4.24            #peak 73
 10 ARG  QB     11 HIS  HD2     4.16            #peak 201
 10 ARG  QG     11 HIS  HD2     4.16            #peak 202
 12 GLY  QA     13 GLY  H       2.99            #peak 117
  2 CYSS SG     14 CYSS SG      1.98   5.0 
  2 CYSS SG     14 CYSS CB      2.90   5.0 
  2 CYSS CB     14 CYSS SG      2.90   5.0
  6 CYSS SG     16 CYSS SG      1.98   5.0
  6 CYSS SG     16 CYSS CB      2.90   5.0
  6 CYSS CB     16 CYSS SG      2.90   5.0 
 
  2 CYSS SG     14 CYSS SG     2.12   5.0 
  2 CYSS SG     14 CYSS CB     3.50   5.0 
  2 CYSS CB     14 CYSS SG     3.50   5.0
  6 CYSS SG     16 CYSS SG     2.12   5.0
  6 CYSS SG     16 CYSS CB     3.50   5.0
  6 CYSS CB     16 CYSS SG     3.50   5.0 
# Number of dimensions 2
#INAME 1 H
#INAME 2 h
#CYANAFORMAT Hh
   1  10.117  10.116 1 T          2.581e+07  0.00e+00 a   0    0    0 0
   2   7.217  10.116 1 T          5.807e+05  0.00e+00 a   0    0    0 0
   3   7.423  10.117 1 T          1.891e+05  0.00e+00 a   0    0    0 0
   4  10.119   7.422 1 T          6.592e+05  0.00e+00 a   0    0    0 0
   5  10.118   7.217 1 T          1.869e+06  0.00e+00 a   0    0    0 0
   6   9.186   9.184 1 T          6.478e+06  0.00e+00 a   0    0    0 0
   7   9.187   8.627 1 T          2.661e+05  0.00e+00 a   0    0    0 0
   8   5.068   9.184 1 T          7.766e+05  0.00e+00 a   0    0    0 0
   9   3.690   9.185 1 T          2.835e+05  0.00e+00 a   0    0    0 0
  10   3.733   9.186 1 T          3.399e+05  0.00e+00 a   0    0    0 0
  11   9.186   5.066 1 T          4.634e+05  0.00e+00 a   0    0    0 0
  12   9.186   3.733 1 T          5.146e+05  0.00e+00 a   0    0    0 0
  13   9.186   3.688 1 T          4.227e+05  0.00e+00 a   0    0    0 0
  14   9.189   2.854 1 T          1.986e+05  0.00e+00 a   0    0    0 0
  15   9.185   2.771 1 T          2.198e+05  0.00e+00 a   0    0    0 0
  16   2.860   9.184 1 T          9.645e+04  0.00e+00 a   0    0    0 0
  17   2.771   9.185 1 T          1.679e+05  0.00e+00 a   0    0    0 0
  18   8.820   8.818 1 T          4.441e+05  0.00e+00 a   0    0    0 0
  20   2.873   8.818 1 T          3.490e+05  0.00e+00 a   0    0    0 0
  21   3.149   8.818 1 T          1.280e+05  0.00e+00 a   0    0    0 0
  22   4.633   8.818 1 T          6.573e+05  0.00e+00 a   0    0    0 0
  23   4.805   8.824 1 T          1.433e+05  0.00e+00 a   0    0    0 0
  24   7.941   8.619 1 T          7.298e+05  0.00e+00 a   0    0    0 0
  25   8.621   7.940 1 T          9.608e+05  0.00e+00 a   0    0    0 0
  26   8.626   4.995 1 T          2.333e+05  0.00e+00 a   0    0    0 0
  27   8.617   3.795 1 T          2.302e+05  0.00e+00 a   0    0    0 0
  30   8.618   4.069 1 T          1.692e+06  0.00e+00 a   0    0    0 0
  31   8.626   3.416 1 T          1.618e+05  0.00e+00 a   0    0    0 0
  32   8.627   2.542 1 T          3.797e+05  0.00e+00 a   0    0    0 0
  33   8.625   1.752 1 T          3.211e+05  0.00e+00 a   0    0    0 0
  34   8.625   1.644 1 T          5.465e+05  0.00e+00 a   0    0    0 0
  35   8.625   1.523 1 T          4.582e+05  0.00e+00 a   0    0    0 0
  36   4.997   8.625 1 T          1.645e+06  0.00e+00 a   0    0    0 0
  37   4.806   8.626 1 T          1.809e+05  0.00e+00 a   0    0    0 0
  38   4.463   8.628 1 T          4.800e+05  0.00e+00 a   0    0    0 0
  39   4.069   8.616 1 T          2.602e+06  0.00e+00 a   0    0    0 0
  40   3.713   8.617 1 T          1.524e+06  0.00e+00 a   0    0    0 0
  41   3.796   8.617 1 T          4.039e+05  0.00e+00 a   0    0    0 0
  42   3.417   8.624 1 T          2.992e+05  0.00e+00 a   0    0    0 0
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 278   3.687   1.257 1 T          3.058e+05  0.00e+00 a   0    0    0 0
 279   3.729   1.255 1 T          2.634e+05  0.00e+00 a   0    0    0 0
 280   3.916   1.665 1 T          8.555e+05  0.00e+00 a   0    0    0 0
 281   3.916   1.501 1 T          1.033e+06  0.00e+00 a   0    0    0 0
 282   3.915   1.376 1 T          2.612e+06  0.00e+00 a   0    0    0 0
 283   3.914   1.254 1 T          3.808e+05  0.00e+00 a   0    0    0 0
 284   4.059   1.550 1 T          1.480e+05  0.00e+00 a   0    0    0 0
 285   4.057   1.488 1 T          1.457e+05  0.00e+00 a   0    0    0 0
 286   4.082   1.381 1 T          1.236e+05  0.00e+00 a   0    0    0 0
 287   4.298   1.269 1 T          7.494e+05  0.00e+00 a   0    0    0 0
 288   4.299   1.237 1 T          6.446e+05  0.00e+00 a   0    0    0 0
 289   4.299   1.496 1 T          4.520e+05  0.00e+00 a   0    0    0 0
 290   4.298   1.760 1 T          9.714e+05  0.00e+00 a   0    0    0 0
 291   4.364   1.688 1 T          7.590e+05  0.00e+00 a   0    0    0 0
 292   4.363   1.608 1 T          8.375e+05  0.00e+00 a   0    0    0 0
 293   4.364   1.335 1 T          6.731e+05  0.00e+00 a   0    0    0 0
 294   4.462   1.751 1 T          1.092e+06  0.00e+00 a   0    0    0 0
 295   4.462   1.643 1 T          8.869e+05  0.00e+00 a   0    0    0 0
 296   4.463   1.523 1 T          8.723e+05  0.00e+00 a   0    0    0 0
 297   4.603   1.377 1 T          2.212e+05  0.00e+00 a   0    0    0 0
 298   5.069   1.232 1 T          1.786e+05  0.00e+00 a   0    0    0 0
 299   1.665   3.912 1 T          1.779e+06  0.00e+00 a   0    0    0 0
 300   1.502   3.912 1 T          1.839e+06  0.00e+00 a   0    0    0 0
 301   1.376   3.913 1 T          3.624e+06  0.00e+00 a   0    0    0 0
 302   1.254   3.913 1 T          6.374e+05  0.00e+00 a   0    0    0 0
 303   1.376   3.794 1 T          3.006e+05  0.00e+00 a   0    0    0 0
 304   3.905   4.056 1 T          1.258e+07  0.00e+00 a   0    0    0 0
 305   3.796   4.069 1 T          4.031e+05  0.00e+00 a   0    0    0 0
 306   3.711   4.088 1 T          4.617e+05  0.00e+00 a   0    0    0 0
 307   3.711   4.218 1 T          2.618e+05  0.00e+00 a   0    0    0 0
 308   3.284   4.151 1 T          1.013e+06  0.00e+00 a   0    0    0 0
 309   4.146   3.280 1 T          1.344e+06  0.00e+00 a   0    0    0 0
 310   4.089   3.713 1 T          6.298e+06  0.00e+00 a   0    0    0 0
 311   4.207   3.711 1 T          8.666e+06  0.00e+00 a   0    0    0 0
 312   4.059   3.907 1 T          1.705e+07  0.00e+00 a   0    0    0 0
 313   3.416   2.692 1 T          9.870e+05  0.00e+00 a   0    0    0 0
 314   3.416   2.482 1 T          8.020e+05  0.00e+00 a   0    0    0 0
 315   1.271   1.485 1 T          1.881e+06  0.00e+00 a   0    0    0 0
 316   1.331   1.552 1 T          1.540e+06  0.00e+00 a   0    0    0 0
 317   1.484   1.759 1 T          4.665e+06  0.00e+00 a   0    0    0 0
 318   1.514   1.650 1 T          1.275e+07  0.00e+00 a   0    0    0 0
 319   1.646   1.751 1 T          1.390e+07  0.00e+00 a   0    0    0 0
 320   3.098   1.751 1 T          5.134e+05  0.00e+00 a   0    0    0 0
 321   3.086   1.644 1 T          8.125e+05  0.00e+00 a   0    0    0 0
 322   3.090   1.532 1 T          9.657e+05  0.00e+00 a   0    0    0 0
 323   3.042   1.380 1 T          1.120e+06  0.00e+00 a   0    0    0 0
 324   3.040   1.252 1 T          1.182e+06  0.00e+00 a   0    0    0 0
 325   3.045   1.500 1 T          6.963e+05  0.00e+00 a   0    0    0 0
 326   3.047   1.657 1 T          5.269e+05  0.00e+00 a   0    0    0 0
 327   2.872   1.763 1 T          1.389e+05  0.00e+00 a   0    0    0 0
 328   2.471   2.693 1 T          9.266e+06  0.00e+00 a   0    0    0 0
 329   2.543   2.771 1 T          5.471e+05  0.00e+00 a   0    0    0 0
 330   2.648   2.775 1 T          2.739e+05  0.00e+00 a   0    0    0 0
 331   2.548   2.855 1 T          4.488e+05  0.00e+00 a   0    0    0 0
 332   2.484   3.477 1 T          2.413e+05  0.00e+00 a   0    0    0 0
 333   9.186   2.542 1 T          9.830e+04  0.00e+00 a   0    0    0 0
 334   8.594   4.298 1 T          1.097e+05  0.00e+00 a   0    0    0 0
 335   3.416   2.542 1 T          5.068e+06  0.00e+00 a   0    0    0 0
 336   3.417   2.856 1 T          1.382e+05  0.00e+00 a   0    0    0 0
 337   3.419   2.767 1 T          1.134e+05  0.00e+00 a   0    0    0 0
 338   3.405   3.005 1 T          2.036e+05  0.00e+00 a   0    0    0 0
 339   3.405   2.962 1 T          1.259e+05  0.00e+00 a   0    0    0 0
 340   3.915   3.040 1 T          3.116e+05  0.00e+00 a   0    0    0 0
 341   3.151   3.341 1 T          1.046e+07  0.00e+00 a   0    0    0 0
 342   2.875   3.161 1 T          6.554e+05  0.00e+00 a   0    0    0 0
 343   2.872   3.136 1 T          3.028e+06  0.00e+00 a   0    0    0 0
 344   3.348   3.151 1 T          1.491e+07  0.00e+00 a   0    0    0 0
 346   2.551   1.377 1 T          8.373e+04  0.00e+00 a   0    0    0 0
 347   2.713   1.367 1 T          1.571e+05  0.00e+00 a   0    0    0 0
 348   2.851   1.555 1 T          1.416e+06  0.00e+00 a   0    0    0 0
 349   2.848   1.534 1 T          5.832e+05  0.00e+00 a   0    0    0 0
 350   2.890   1.577 1 T          1.272e+06  0.00e+00 a   0    0    0 0
 351   2.874   1.333 1 T          1.017e+05  0.00e+00 a   0    0    0 0
 352   2.698   2.469 1 T          1.060e+07  0.00e+00 a   0    0    0 0
 353   2.770   2.854 1 T          1.761e+07  0.00e+00 a   0    0    0 0
 354   3.412   1.374 1 T          1.885e+05  0.00e+00 a   0    0    0 0
 356   2.410   2.543 1 T          1.642e+05  0.00e+00 a   0    0    0 0
 357   2.418   2.624 1 T          4.411e+05  0.00e+00 a   0    0    0 0
 358   4.995   1.519 1 T          6.562e+04  0.00e+00 a   0    0    0 0
 359   5.073   2.548 1 T          8.780e+04  0.00e+00 a   0    0    0 0
 360   5.067   2.465 1 T          1.229e+05  0.00e+00 a   0    0    0 0
 361   5.067   2.692 1 T          1.367e+05  0.00e+00 a   0    0    0 0
 362   5.063   3.725 1 T          5.827e+04  0.00e+00 a   0    0    0 0
 363   5.064   3.687 1 T          8.166e+04  0.00e+00 a   0    0    0 0
 364   7.188   2.872 1 T          8.722e+04  0.00e+00 a   0    0    0 0
 365   9.186   1.239 1 T          9.014e+04  0.00e+00 a   0    0    0 0
 366   4.628   1.548 1 T          8.829e+04  0.00e+00 a   0    0    0 0
 367   1.761   7.825 1 T          5.903e+04  0.00e+00 a   0    0    0 0
 368   1.484   7.819 1 T          1.091e+05  0.00e+00 a   0    0    0 0
 369   1.537   9.184 1 T          4.442e+04  0.00e+00 a   0    0    0 0
 370   1.246   9.185 1 T          1.313e+05  0.00e+00 a   0    0    0 0
 371   2.548   9.183 1 T          8.055e+04  0.00e+00 a   0    0    0 0
 372   2.874   7.197 1 T          1.225e+05  0.00e+00 a   0    0    0 0
 373   3.353   7.823 1 T          8.129e+04  0.00e+00 a   0    0    0 0
 374   3.147   7.821 1 T          6.045e+04  0.00e+00 a   0    0    0 0
 375   2.768   8.629 1 T          6.509e+04  0.00e+00 a   0    0    0 0
 376   2.697   8.622 1 T          6.482e+04  0.00e+00 a   0    0    0 0
 377   4.365   9.186 1 T          6.019e+04  0.00e+00 a   0    0    0 0
 378   4.608   7.046 1 T          7.733e+04  0.00e+00 a   0    0    0 0
 379   9.190   8.036 1 T          5.605e+04  0.00e+00 a   0    0    0 0
 380   8.824   8.280 1 T          6.771e+04  0.00e+00 a   0    0    0 0
 382   1.641   7.055 1 T          4.234e+04  0.00e+00 a   0    0    0 0
 383   1.525   7.050 1 T          5.957e+04  0.00e+00 a   0    0    0 0
 384   1.665   7.177 1 T          9.270e+04  0.00e+00 a   0    0    0 0
 385   1.255   7.178 1 T          6.066e+04  0.00e+00 a   0    0    0 0
 386   3.095   8.624 1 T          8.275e+04  0.00e+00 a   0    0    0 0
 387   3.350   8.505 1 T          1.033e+05  0.00e+00 a   0    0    0 0
 388   2.469   8.107 1 T          5.585e+04  0.00e+00 a   0    0    0 0
 389   2.477   7.940 1 T          9.244e+04  0.00e+00 a   0    0    0 0
 390   4.632   9.190 1 T          1.283e+05  0.00e+00 a   0    0    0 0
 391   1.242   1.752 1 T          1.912e+05  0.00e+00 a   0    0    0 0
 394   3.573   3.915 1 T          9.050e+04  0.00e+00 a   0    0    0 0
 395   3.692   8.817 1 T          4.890e+04  0.00e+00 a   0    0    0 0
 396   3.736   8.820 1 T          3.081e+04  0.00e+00 a   0    0    0 0
 397   2.557   8.820 1 T          3.319e+04  0.00e+00 a   0    0    0 0
 398   4.804   3.411 1 T          9.635e+04  0.00e+00 a   0    0    0 0
 399   5.068   5.066 1 T          9.815e+06  0.00e+00 a   0    0    0 0
 400   4.602   2.770 1 T          1.084e+05  0.00e+00 a   0    0    0 0
 401   4.603   2.851 1 T          2.057e+05  0.00e+00 a   0    0    0 0
 402   4.460   3.087 1 T          1.576e+05  0.00e+00 a   0    0    0 0
 403   4.361   1.480 1 T          1.412e+05  0.00e+00 a   0    0    0 0
  2  CYSS  PHI  -158.0   -46.0   1.00  #
  2  CYSS  PSI    71.0   199.0   1.00  #
  3  ALA  PHI  -146.0   -42.0   1.00  #  
  3  ALA  PSI   104.0   200.0   1.00  #
  4  SER  PSI   -59.0    33.0   1.00  #
  5  GLY  PHI    47.0   107.0   1.00  #
  5  GLY  PSI   -20.0    56.0   1.00  #
  6  CYSS  PHI  -177.0   -53.0   1.00  #
  6  CYSS  PSI   125.0   177.0   1.00  #
  7  ARG  PHI  -175.0   -91.0   1.00  #
  7  ARG  PSI    88.0   192.0   1.00  #
  8  LYS  PHI  -156.0   -40.0   1.00  #
  8  LYS  PSI    82.0   182.0   1.00  #
  9  LYS  PHI  -137.0   -41.0   1.00  #
  9  LYS  PSI    98.0   178.0   1.00  #
  10  ARG  PHI   -68.0   -56.0   1.00  #
  10  ARG  PSI   -46.0   -10.0   1.00  #
  11  HIS  PHI  -110.0   -62.0   1.00  #
  11  HIS  PSI   -22.0    22.0   1.00  #
  12  GLY  PHI    77.0   105.0   1.00  #
  12  GLY  PSI   -21.0     7.0   1.00  #
  13  GLY  PHI  -154.0   -50.0   1.00  #
  13  GLY  PSI    44.0   192.0   1.00  #
  14  CYSS  PHI  -181.0   -45.0   1.00  #
  14  CYSS  PSI    74.0   182.0   1.00  #
  15  SER  PHI  -154.0   -38.0   1.00  #
  15  SER  PSI    82.0   178.0   1.00  #

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TRP   1           H        TRP   1   1.807   0.000   0.856
    2    HA   TRP   1           HA       TRP   1   1.877   0.922  -1.763
    3    HB2  TRP   1           HB2      TRP   1   3.854   0.746  -0.280
    4    HB3  TRP   1           HB3      TRP   1   3.814  -1.006  -0.463
    5    HD1  TRP   1           HD1      TRP   1   5.095   2.110  -2.109
    6    HE1  TRP   1           HE1      TRP   1   6.339   1.499  -4.277
    7    HE3  TRP   1           HE3      TRP   1   3.707  -2.796  -2.486
    8    HZ2  TRP   1           HZ2      TRP   1   6.685  -0.763  -5.930
    9    HZ3  TRP   1           HZ3      TRP   1   4.537  -4.113  -4.391
   10    HH2  TRP   1           HH2      TRP   1   5.995  -3.116  -6.077
   11    H    CYS   2           H        CYS   2   1.521   0.043  -3.710
   12    HA   CYS   2           HA       CYS   2   1.153  -2.874  -3.874
   13    HB2  CYS   2           HB2      CYS   2  -0.676  -0.681  -4.695
   14    HB3  CYS   2           HB3      CYS   2  -0.552  -2.063  -5.779
   15    H    ALA   3           H        ALA   3   1.241  -3.665  -6.176
   16    HA   ALA   3           HA       ALA   3   3.689  -2.996  -7.342
   17    HB1  ALA   3           HB1      ALA   3   3.087  -4.465  -9.137
   18    HB2  ALA   3           HB2      ALA   3   2.486  -5.155  -7.629
   19    HB3  ALA   3           HB3      ALA   3   1.376  -4.339  -8.730
   20    H    SER   4           H        SER   4   4.304  -1.644  -8.951
   21    HA   SER   4           HA       SER   4   4.257   0.201 -10.287
   22    HB2  SER   4           HB2      SER   4   2.807  -1.635 -11.535
   23    HB3  SER   4           HB3      SER   4   1.505  -0.487 -11.227
   24    HG   SER   4           HG       SER   4   2.303   0.220 -13.098
   25    H    GLY   5           H        GLY   5   3.217   0.486  -7.597
   26    HA2  GLY   5           HA2      GLY   5   2.203   2.095  -6.312
   27    HA3  GLY   5           HA3      GLY   5   2.212   3.103  -7.752
   28    H    CYS   6           H        CYS   6   0.586   0.058  -7.881
   29    HA   CYS   6           HA       CYS   6  -1.846   1.120  -8.711
   30    HB2  CYS   6           HB2      CYS   6  -0.970  -1.536  -7.669
   31    HB3  CYS   6           HB3      CYS   6  -2.697  -1.225  -7.808
   32    H    ARG   7           H        ARG   7  -3.973   0.459  -7.460
   33    HA   ARG   7           HA       ARG   7  -3.826   1.867  -4.901
   34    HB2  ARG   7           HB2      ARG   7  -5.950   1.402  -6.934
   35    HB3  ARG   7           HB3      ARG   7  -6.455   1.601  -5.261
   36    HG2  ARG   7           HG2      ARG   7  -4.583   3.582  -6.464
   37    HG3  ARG   7           HG3      ARG   7  -6.303   3.658  -6.852
   38    HD2  ARG   7           HD2      ARG   7  -6.641   3.527  -4.292
   39    HD3  ARG   7           HD3      ARG   7  -4.944   3.996  -4.205
   40    HE   ARG   7           HE       ARG   7  -7.162   5.669  -4.894
   41   HH11  ARG   7          HH11      ARG   7  -3.746   5.165  -5.341
   42   HH12  ARG   7          HH12      ARG   7  -3.415   6.828  -5.696
   43   HH21  ARG   7          HH21      ARG   7  -6.738   7.861  -5.360
   44   HH22  ARG   7          HH22      ARG   7  -5.117   8.361  -5.706
   45    H    LYS   8           H        LYS   8  -4.536   1.009  -2.982
   46    HA   LYS   8           HA       LYS   8  -4.549  -1.873  -2.816
   47    HB2  LYS   8           HB2      LYS   8  -4.366   0.391  -0.911
   48    HB3  LYS   8           HB3      LYS   8  -5.075  -1.094  -0.289
   49    HG2  LYS   8           HG2      LYS   8  -3.094  -2.335  -0.837
   50    HG3  LYS   8           HG3      LYS   8  -2.392  -0.931  -1.645
   51    HD2  LYS   8           HD2      LYS   8  -3.099  -1.067   1.286
   52    HD3  LYS   8           HD3      LYS   8  -1.479  -1.298   0.625
   53    HE2  LYS   8           HE2      LYS   8  -1.683   0.990  -0.394
   54    HE3  LYS   8           HE3      LYS   8  -3.169   1.194   0.533
   55    HZ1  LYS   8           HZ1      LYS   8  -1.319   2.166   1.703
   56    HZ2  LYS   8           HZ2      LYS   8  -0.460   0.710   1.649
   57    HZ3  LYS   8           HZ3      LYS   8  -1.878   0.821   2.564
   58    H    LYS   9           H        LYS   9  -6.214  -3.126  -1.835
   59    HA   LYS   9           HA       LYS   9  -8.877  -1.872  -1.862
   60    HB2  LYS   9           HB2      LYS   9  -8.364  -4.681  -2.829
   61    HB3  LYS   9           HB3      LYS   9  -9.829  -3.723  -3.009
   62    HG2  LYS   9           HG2      LYS   9  -8.714  -2.247  -4.566
   63    HG3  LYS   9           HG3      LYS   9  -7.194  -3.113  -4.333
   64    HD2  LYS   9           HD2      LYS   9  -9.730  -4.309  -5.449
   65    HD3  LYS   9           HD3      LYS   9  -8.346  -3.777  -6.407
   66    HE2  LYS   9           HE2      LYS   9  -7.772  -5.959  -6.223
   67    HE3  LYS   9           HE3      LYS   9  -7.086  -5.403  -4.697
   68    HZ1  LYS   9           HZ1      LYS   9  -9.193  -7.250  -5.143
   69    HZ2  LYS   9           HZ2      LYS   9  -9.726  -5.979  -4.163
   70    HZ3  LYS   9           HZ3      LYS   9  -8.376  -6.889  -3.706
   71    H    ARG  10           H        ARG  10 -10.522  -3.165  -0.673
   72    HA   ARG  10           HA       ARG  10  -9.739  -3.652   1.949
   73    HB2  ARG  10           HB2      ARG  10 -12.111  -3.311   0.815
   74    HB3  ARG  10           HB3      ARG  10 -12.132  -5.068   0.869
   75    HG2  ARG  10           HG2      ARG  10 -12.237  -5.138   3.150
   76    HG3  ARG  10           HG3      ARG  10 -11.422  -3.585   3.344
   77    HD2  ARG  10           HD2      ARG  10 -14.092  -3.634   2.033
   78    HD3  ARG  10           HD3      ARG  10 -14.013  -3.856   3.780
   79    HE   ARG  10           HE       ARG  10 -13.631  -1.425   2.348
   80   HH11  ARG  10          HH11      ARG  10 -12.627  -3.185   5.179
   81   HH12  ARG  10          HH12      ARG  10 -12.214  -1.762   6.077
   82   HH21  ARG  10          HH21      ARG  10 -13.091   0.456   3.520
   83   HH22  ARG  10          HH22      ARG  10 -12.480   0.309   5.133
   84    H    HIS  11           H        HIS  11 -10.202  -5.910  -0.731
   85    HA   HIS  11           HA       HIS  11  -9.881  -8.291   0.724
   86    HB2  HIS  11           HB2      HIS  11  -9.473  -7.573  -2.169
   87    HB3  HIS  11           HB3      HIS  11  -9.121  -9.194  -1.576
   88    HD1  HIS  11           HD1      HIS  11 -11.120  -9.680  -3.406
   89    HD2  HIS  11           HD2      HIS  11 -12.198  -7.913   0.197
   90    HE1  HIS  11           HE1      HIS  11 -13.598 -10.052  -3.190
   91    H    GLY  12           H        GLY  12  -7.618  -5.894  -0.232
   92    HA2  GLY  12           HA2      GLY  12  -5.460  -5.839   0.833
   93    HA3  GLY  12           HA3      GLY  12  -5.442  -7.596   0.789
   94    H    GLY  13           H        GLY  13  -6.560  -7.279  -2.078
   95    HA2  GLY  13           HA2      GLY  13  -4.030  -7.544  -3.373
   96    HA3  GLY  13           HA3      GLY  13  -5.603  -7.534  -4.157
   97    H    CYS  14           H        CYS  14  -4.268  -6.328  -5.783
   98    HA   CYS  14           HA       CYS  14  -4.372  -3.452  -5.167
   99    HB2  CYS  14           HB2      CYS  14  -2.277  -4.744  -6.920
  100    HB3  CYS  14           HB3      CYS  14  -2.350  -3.061  -6.410
  101    H    SER  15           H        SER  15  -5.277  -2.166  -6.694
  102    HA   SER  15           HA       SER  15  -6.512  -3.521  -8.971
  103    HB2  SER  15           HB2      SER  15  -8.101  -2.280  -7.724
  104    HB3  SER  15           HB3      SER  15  -7.034  -0.881  -7.608
  105    HG   SER  15           HG       SER  15  -8.686  -0.607  -9.182
  106    H    CYS  16           H        CYS  16  -5.669  -3.369 -10.931
  107    HA   CYS  16           HA       CYS  16  -4.061  -0.994 -11.602
  108    HB2  CYS  16           HB2      CYS  16  -3.473  -3.796 -12.571
  109    HB3  CYS  16           HB3      CYS  16  -2.491  -2.355 -12.813
  110    HN1  NH2  17           H2       NH2  17  -5.094  -1.146 -15.068
  111    HN2  NH2  17           H1       NH2  17  -3.720  -0.907 -14.083
  Start of MODEL    2
    1    H1   TRP   1           H        TRP   1   1.639   0.013   0.992
    2    HA   TRP   1           HA       TRP   1   1.882   1.222  -1.626
    3    HB2  TRP   1           HB2      TRP   1   3.847   0.933  -0.129
    4    HB3  TRP   1           HB3      TRP   1   3.672  -0.813  -0.279
    5    HD1  TRP   1           HD1      TRP   1   5.120   2.187  -2.027
    6    HE1  TRP   1           HE1      TRP   1   6.322   1.435  -4.176
    7    HE3  TRP   1           HE3      TRP   1   3.492  -2.656  -2.215
    8    HZ2  TRP   1           HZ2      TRP   1   6.548  -0.901  -5.744
    9    HZ3  TRP   1           HZ3      TRP   1   4.247  -4.083  -4.072
   10    HH2  TRP   1           HH2      TRP   1   5.743  -3.221  -5.799
   11    H    CYS   2           H        CYS   2   1.699   0.215  -3.579
   12    HA   CYS   2           HA       CYS   2   0.944  -2.628  -3.579
   13    HB2  CYS   2           HB2      CYS   2  -0.591  -0.302  -4.578
   14    HB3  CYS   2           HB3      CYS   2  -0.542  -1.705  -5.641
   15    H    ALA   3           H        ALA   3   0.863  -3.405  -5.990
   16    HA   ALA   3           HA       ALA   3   3.498  -3.088  -7.024
   17    HB1  ALA   3           HB1      ALA   3   2.518  -5.218  -7.278
   18    HB2  ALA   3           HB2      ALA   3   1.068  -4.547  -8.029
   19    HB3  ALA   3           HB3      ALA   3   2.602  -4.532  -8.901
   20    H    SER   4           H        SER   4   4.251  -1.824  -8.617
   21    HA   SER   4           HA       SER   4   4.349  -0.116 -10.120
   22    HB2  SER   4           HB2      SER   4   3.190  -1.880 -11.490
   23    HB3  SER   4           HB3      SER   4   1.654  -1.129 -11.051
   24    HG   SER   4           HG       SER   4   3.473  -0.377 -12.920
   25    H    GLY   5           H        GLY   5   3.017   0.325  -7.517
   26    HA2  GLY   5           HA2      GLY   5   2.027   2.100  -6.444
   27    HA3  GLY   5           HA3      GLY   5   2.150   2.983  -7.958
   28    H    CYS   6           H        CYS   6   0.415  -0.044  -7.600
   29    HA   CYS   6           HA       CYS   6  -1.944   1.042  -8.748
   30    HB2  CYS   6           HB2      CYS   6  -1.161  -1.593  -7.576
   31    HB3  CYS   6           HB3      CYS   6  -2.873  -1.256  -7.819
   32    H    ARG   7           H        ARG   7  -4.128   0.461  -7.561
   33    HA   ARG   7           HA       ARG   7  -4.089   2.011  -5.095
   34    HB2  ARG   7           HB2      ARG   7  -6.164   1.251  -7.096
   35    HB3  ARG   7           HB3      ARG   7  -6.690   1.602  -5.455
   36    HG2  ARG   7           HG2      ARG   7  -5.284   3.764  -5.741
   37    HG3  ARG   7           HG3      ARG   7  -5.432   3.413  -7.464
   38    HD2  ARG   7           HD2      ARG   7  -7.727   3.694  -5.528
   39    HD3  ARG   7           HD3      ARG   7  -7.193   4.933  -6.662
   40    HE   ARG   7           HE       ARG   7  -7.771   2.520  -8.026
   41   HH11  ARG   7          HH11      ARG   7  -9.307   5.215  -6.446
   42   HH12  ARG   7          HH12      ARG   7 -10.755   5.112  -7.391
   43   HH21  ARG   7          HH21      ARG   7  -9.671   2.374  -9.278
   44   HH22  ARG   7          HH22      ARG   7 -10.962   3.494  -9.002
   45    H    LYS   8           H        LYS   8  -4.541   1.228  -3.113
   46    HA   LYS   8           HA       LYS   8  -4.468  -1.597  -2.702
   47    HB2  LYS   8           HB2      LYS   8  -4.520   0.826  -0.993
   48    HB3  LYS   8           HB3      LYS   8  -5.116  -0.659  -0.264
   49    HG2  LYS   8           HG2      LYS   8  -3.024  -1.763  -0.663
   50    HG3  LYS   8           HG3      LYS   8  -2.423  -0.380  -1.581
   51    HD2  LYS   8           HD2      LYS   8  -1.443  -0.041   0.483
   52    HD3  LYS   8           HD3      LYS   8  -2.907   0.937   0.616
   53    HE2  LYS   8           HE2      LYS   8  -2.672  -0.321   2.635
   54    HE3  LYS   8           HE3      LYS   8  -4.015  -1.005   1.721
   55    HZ1  LYS   8           HZ1      LYS   8  -1.258  -2.102   1.711
   56    HZ2  LYS   8           HZ2      LYS   8  -2.625  -2.794   0.995
   57    HZ3  LYS   8           HZ3      LYS   8  -2.513  -2.689   2.680
   58    H    LYS   9           H        LYS   9  -6.060  -2.906  -1.705
   59    HA   LYS   9           HA       LYS   9  -8.799  -1.850  -1.750
   60    HB2  LYS   9           HB2      LYS   9  -8.116  -4.578  -2.832
   61    HB3  LYS   9           HB3      LYS   9  -9.641  -3.711  -2.963
   62    HG2  LYS   9           HG2      LYS   9  -8.574  -2.068  -4.431
   63    HG3  LYS   9           HG3      LYS   9  -7.053  -2.957  -4.308
   64    HD2  LYS   9           HD2      LYS   9  -9.641  -4.035  -5.429
   65    HD3  LYS   9           HD3      LYS   9  -8.253  -3.496  -6.377
   66    HE2  LYS   9           HE2      LYS   9  -7.800  -5.724  -6.321
   67    HE3  LYS   9           HE3      LYS   9  -6.999  -5.246  -4.826
   68    HZ1  LYS   9           HZ1      LYS   9  -9.234  -6.972  -5.201
   69    HZ2  LYS   9           HZ2      LYS   9  -9.596  -5.734  -4.108
   70    HZ3  LYS   9           HZ3      LYS   9  -8.271  -6.746  -3.828
   71    H    ARG  10           H        ARG  10 -10.292  -2.973  -0.405
   72    HA   ARG  10           HA       ARG  10  -9.315  -3.722   2.087
   73    HB2  ARG  10           HB2      ARG  10 -11.567  -4.418   2.616
   74    HB3  ARG  10           HB3      ARG  10 -11.633  -2.961   1.634
   75    HG2  ARG  10           HG2      ARG  10 -13.211  -4.134   0.538
   76    HG3  ARG  10           HG3      ARG  10 -11.809  -4.795  -0.305
   77    HD2  ARG  10           HD2      ARG  10 -11.950  -6.812   0.755
   78    HD3  ARG  10           HD3      ARG  10 -12.657  -6.118   2.213
   79    HE   ARG  10           HE       ARG  10 -14.518  -5.869   0.148
   80   HH11  ARG  10          HH11      ARG  10 -12.964  -8.367   2.009
   81   HH12  ARG  10          HH12      ARG  10 -14.289  -9.474   1.873
   82   HH21  ARG  10          HH21      ARG  10 -16.269  -7.317  -0.039
   83   HH22  ARG  10          HH22      ARG  10 -16.169  -8.876   0.707
   84    H    HIS  11           H        HIS  11 -10.004  -5.657  -0.749
   85    HA   HIS  11           HA       HIS  11  -9.950  -8.196   0.474
   86    HB2  HIS  11           HB2      HIS  11  -9.448  -7.255  -2.341
   87    HB3  HIS  11           HB3      HIS  11  -9.295  -8.953  -1.900
   88    HD1  HIS  11           HD1      HIS  11 -11.366 -10.279  -2.137
   89    HD2  HIS  11           HD2      HIS  11 -12.170  -6.232  -1.648
   90    HE1  HIS  11           HE1      HIS  11 -13.861 -10.057  -2.367
   91    H    GLY  12           H        GLY  12  -7.464  -5.947  -0.245
   92    HA2  GLY  12           HA2      GLY  12  -5.314  -6.213   0.805
   93    HA3  GLY  12           HA3      GLY  12  -5.465  -7.949   0.577
   94    H    GLY  13           H        GLY  13  -6.540  -7.215  -2.233
   95    HA2  GLY  13           HA2      GLY  13  -3.990  -7.503  -3.535
   96    HA3  GLY  13           HA3      GLY  13  -5.561  -7.436  -4.319
   97    H    CYS  14           H        CYS  14  -4.219  -6.141  -5.868
   98    HA   CYS  14           HA       CYS  14  -4.368  -3.306  -5.107
   99    HB2  CYS  14           HB2      CYS  14  -2.121  -4.582  -6.682
  100    HB3  CYS  14           HB3      CYS  14  -2.296  -2.860  -6.359
  101    H    SER  15           H        SER  15  -5.765  -2.315  -6.388
  102    HA   SER  15           HA       SER  15  -6.787  -3.457  -8.766
  103    HB2  SER  15           HB2      SER  15  -8.312  -2.037  -7.748
  104    HB3  SER  15           HB3      SER  15  -7.091  -0.816  -7.385
  105    HG   SER  15           HG       SER  15  -8.737  -0.937  -9.472
  106    H    CYS  16           H        CYS  16  -5.902  -3.510 -10.713
  107    HA   CYS  16           HA       CYS  16  -4.200  -1.276 -11.570
  108    HB2  CYS  16           HB2      CYS  16  -3.543  -4.169 -12.141
  109    HB3  CYS  16           HB3      CYS  16  -2.558  -2.756 -12.507
  110    HN1  NH2  17           H2       NH2  17  -5.257  -1.573 -14.936
  111    HN2  NH2  17           H1       NH2  17  -4.044  -1.011 -13.873
  Start of MODEL    3
    1    H1   TRP   1           H        TRP   1   1.665   0.788   0.778
    2    HA   TRP   1           HA       TRP   1   1.661   1.530  -1.939
    3    HB2  TRP   1           HB2      TRP   1   3.637   1.675  -0.434
    4    HB3  TRP   1           HB3      TRP   1   3.756  -0.082  -0.468
    5    HD1  TRP   1           HD1      TRP   1   4.717   2.993  -2.402
    6    HE1  TRP   1           HE1      TRP   1   6.027   2.312  -4.512
    7    HE3  TRP   1           HE3      TRP   1   3.860  -2.047  -2.301
    8    HZ2  TRP   1           HZ2      TRP   1   6.617  -0.048  -5.943
    9    HZ3  TRP   1           HZ3      TRP   1   4.833  -3.445  -4.076
   10    HH2  TRP   1           HH2      TRP   1   6.182  -2.463  -5.860
   11    H    CYS   2           H        CYS   2   1.732   0.353  -3.819
   12    HA   CYS   2           HA       CYS   2   1.538  -2.563  -3.639
   13    HB2  CYS   2           HB2      CYS   2  -0.569  -0.708  -4.578
   14    HB3  CYS   2           HB3      CYS   2  -0.274  -2.113  -5.598
   15    H    ALA   3           H        ALA   3   1.509  -3.497  -5.970
   16    HA   ALA   3           HA       ALA   3   3.907  -2.707  -7.230
   17    HB1  ALA   3           HB1      ALA   3   3.118  -4.997  -7.323
   18    HB2  ALA   3           HB2      ALA   3   1.701  -4.495  -8.246
   19    HB3  ALA   3           HB3      ALA   3   3.309  -4.354  -8.954
   20    H    SER   4           H        SER   4   4.310  -1.583  -9.099
   21    HA   SER   4           HA       SER   4   4.028   0.092 -10.619
   22    HB2  SER   4           HB2      SER   4   2.761  -1.899 -11.649
   23    HB3  SER   4           HB3      SER   4   1.293  -1.056 -11.156
   24    HG   SER   4           HG       SER   4   2.503  -0.678 -13.361
   25    H    GLY   5           H        GLY   5   3.195   0.640  -7.905
   26    HA2  GLY   5           HA2      GLY   5   2.151   2.307  -6.723
   27    HA3  GLY   5           HA3      GLY   5   1.998   3.148  -8.259
   28    H    CYS   6           H        CYS   6   0.568   0.018  -7.921
   29    HA   CYS   6           HA       CYS   6  -1.976   0.831  -8.693
   30    HB2  CYS   6           HB2      CYS   6  -0.836  -1.623  -7.454
   31    HB3  CYS   6           HB3      CYS   6  -2.587  -1.435  -7.410
   32    H    ARG   7           H        ARG   7  -3.970   0.211  -7.222
   33    HA   ARG   7           HA       ARG   7  -3.649   1.732  -4.721
   34    HB2  ARG   7           HB2      ARG   7  -5.925   1.510  -6.668
   35    HB3  ARG   7           HB3      ARG   7  -6.210   2.008  -5.006
   36    HG2  ARG   7           HG2      ARG   7  -4.868   3.942  -5.260
   37    HG3  ARG   7           HG3      ARG   7  -4.243   3.383  -6.813
   38    HD2  ARG   7           HD2      ARG   7  -6.454   3.595  -7.800
   39    HD3  ARG   7           HD3      ARG   7  -7.121   4.084  -6.242
   40    HE   ARG   7           HE       ARG   7  -5.029   5.826  -6.929
   41   HH11  ARG   7          HH11      ARG   7  -8.263   5.001  -7.918
   42   HH12  ARG   7          HH12      ARG   7  -8.618   6.580  -8.534
   43   HH21  ARG   7          HH21      ARG   7  -5.484   7.909  -7.736
   44   HH22  ARG   7          HH22      ARG   7  -7.036   8.234  -8.431
   45    H    LYS   8           H        LYS   8  -3.748   0.561  -2.933
   46    HA   LYS   8           HA       LYS   8  -4.346  -2.139  -2.779
   47    HB2  LYS   8           HB2      LYS   8  -3.701  -0.028  -0.951
   48    HB3  LYS   8           HB3      LYS   8  -5.003  -0.995  -0.271
   49    HG2  LYS   8           HG2      LYS   8  -3.399  -2.970  -1.063
   50    HG3  LYS   8           HG3      LYS   8  -2.188  -1.710  -0.814
   51    HD2  LYS   8           HD2      LYS   8  -2.822  -1.434   1.462
   52    HD3  LYS   8           HD3      LYS   8  -4.265  -2.426   1.246
   53    HE2  LYS   8           HE2      LYS   8  -2.759  -4.353   0.725
   54    HE3  LYS   8           HE3      LYS   8  -1.392  -3.333   1.172
   55    HZ1  LYS   8           HZ1      LYS   8  -2.134  -4.766   2.996
   56    HZ2  LYS   8           HZ2      LYS   8  -3.654  -4.023   2.968
   57    HZ3  LYS   8           HZ3      LYS   8  -2.282  -3.126   3.385
   58    H    LYS   9           H        LYS   9  -6.127  -3.272  -1.825
   59    HA   LYS   9           HA       LYS   9  -8.689  -1.829  -1.925
   60    HB2  LYS   9           HB2      LYS   9  -8.351  -4.652  -2.930
   61    HB3  LYS   9           HB3      LYS   9  -9.739  -3.591  -3.129
   62    HG2  LYS   9           HG2      LYS   9  -8.509  -2.182  -4.642
   63    HG3  LYS   9           HG3      LYS   9  -7.035  -3.113  -4.363
   64    HD2  LYS   9           HD2      LYS   9  -9.576  -4.218  -5.558
   65    HD3  LYS   9           HD3      LYS   9  -8.168  -3.696  -6.486
   66    HE2  LYS   9           HE2      LYS   9  -7.639  -5.893  -6.329
   67    HE3  LYS   9           HE3      LYS   9  -6.963  -5.373  -4.785
   68    HZ1  LYS   9           HZ1      LYS   9  -9.003  -7.235  -5.250
   69    HZ2  LYS   9           HZ2      LYS   9  -9.673  -5.936  -4.401
   70    HZ3  LYS   9           HZ3      LYS   9  -8.336  -6.758  -3.770
   71    H    ARG  10           H        ARG  10 -10.461  -3.029  -0.814
   72    HA   ARG  10           HA       ARG  10  -9.801  -3.605   1.823
   73    HB2  ARG  10           HB2      ARG  10 -12.251  -4.643   0.396
   74    HB3  ARG  10           HB3      ARG  10 -12.077  -4.303   2.112
   75    HG2  ARG  10           HG2      ARG  10 -11.646  -1.881   1.389
   76    HG3  ARG  10           HG3      ARG  10 -12.315  -2.378  -0.167
   77    HD2  ARG  10           HD2      ARG  10 -14.248  -3.335   1.319
   78    HD3  ARG  10           HD3      ARG  10 -13.642  -2.170   2.497
   79    HE   ARG  10           HE       ARG  10 -15.149  -1.601   0.144
   80   HH11  ARG  10          HH11      ARG  10 -12.696  -0.350   2.274
   81   HH12  ARG  10          HH12      ARG  10 -13.042   1.308   1.911
   82   HH21  ARG  10          HH21      ARG  10 -15.614   0.578  -0.343
   83   HH22  ARG  10          HH22      ARG  10 -14.703   1.835   0.423
   84    H    HIS  11           H        HIS  11 -10.190  -5.752  -0.939
   85    HA   HIS  11           HA       HIS  11 -10.119  -8.188   0.494
   86    HB2  HIS  11           HB2      HIS  11  -9.477  -7.496  -2.372
   87    HB3  HIS  11           HB3      HIS  11  -9.414  -9.144  -1.757
   88    HD1  HIS  11           HD1      HIS  11 -11.474 -10.392  -2.259
   89    HD2  HIS  11           HD2      HIS  11 -12.236  -6.350  -1.677
   90    HE1  HIS  11           HE1      HIS  11 -13.951 -10.121  -2.592
   91    H    GLY  12           H        GLY  12  -7.690  -5.908  -0.298
   92    HA2  GLY  12           HA2      GLY  12  -5.574  -6.016   0.845
   93    HA3  GLY  12           HA3      GLY  12  -5.653  -7.768   0.734
   94    H    GLY  13           H        GLY  13  -6.641  -7.282  -2.157
   95    HA2  GLY  13           HA2      GLY  13  -4.081  -7.639  -3.368
   96    HA3  GLY  13           HA3      GLY  13  -5.619  -7.518  -4.208
   97    H    CYS  14           H        CYS  14  -4.164  -6.329  -5.740
   98    HA   CYS  14           HA       CYS  14  -4.062  -3.482  -4.985
   99    HB2  CYS  14           HB2      CYS  14  -2.133  -4.955  -6.792
  100    HB3  CYS  14           HB3      CYS  14  -2.091  -3.233  -6.432
  101    H    SER  15           H        SER  15  -5.475  -2.336  -6.110
  102    HA   SER  15           HA       SER  15  -6.758  -3.354  -8.448
  103    HB2  SER  15           HB2      SER  15  -7.724  -1.755  -6.667
  104    HB3  SER  15           HB3      SER  15  -6.879  -0.481  -7.548
  105    HG   SER  15           HG       SER  15  -8.729  -0.501  -8.605
  106    H    CYS  16           H        CYS  16  -6.082  -3.237 -10.475
  107    HA   CYS  16           HA       CYS  16  -4.297  -1.030 -11.253
  108    HB2  CYS  16           HB2      CYS  16  -4.011  -3.866 -12.259
  109    HB3  CYS  16           HB3      CYS  16  -2.925  -2.511 -12.551
  110    HN1  NH2  17           H2       NH2  17  -5.652  -0.898 -14.556
  111    HN2  NH2  17           H1       NH2  17  -4.243  -0.666 -13.619
  Start of MODEL    4
    1    H1   TRP   1           H        TRP   1   1.424  -0.812   0.967
    2    HA   TRP   1           HA       TRP   1   1.984   0.475  -1.523
    3    HB2  TRP   1           HB2      TRP   1   3.735  -0.109   0.146
    4    HB3  TRP   1           HB3      TRP   1   3.458  -1.813  -0.201
    5    HD1  TRP   1           HD1      TRP   1   5.369   1.173  -1.410
    6    HE1  TRP   1           HE1      TRP   1   6.732   0.548  -3.501
    7    HE3  TRP   1           HE3      TRP   1   3.290  -3.391  -2.398
    8    HZ2  TRP   1           HZ2      TRP   1   6.904  -1.597  -5.329
    9    HZ3  TRP   1           HZ3      TRP   1   4.109  -4.665  -4.337
   10    HH2  TRP   1           HH2      TRP   1   5.879  -3.785  -5.771
   11    H    CYS   2           H        CYS   2   1.782  -0.265  -3.559
   12    HA   CYS   2           HA       CYS   2   1.079  -3.081  -3.979
   13    HB2  CYS   2           HB2      CYS   2  -0.583  -0.703  -4.590
   14    HB3  CYS   2           HB3      CYS   2  -0.511  -1.944  -5.835
   15    H    ALA   3           H        ALA   3   1.262  -3.732  -6.275
   16    HA   ALA   3           HA       ALA   3   3.746  -3.006  -7.351
   17    HB1  ALA   3           HB1      ALA   3   2.399  -5.152  -7.708
   18    HB2  ALA   3           HB2      ALA   3   1.561  -4.262  -8.979
   19    HB3  ALA   3           HB3      ALA   3   3.304  -4.515  -9.081
   20    H    SER   4           H        SER   4   4.366  -1.659  -8.987
   21    HA   SER   4           HA       SER   4   4.326   0.225 -10.267
   22    HB2  SER   4           HB2      SER   4   2.987  -1.500 -11.643
   23    HB3  SER   4           HB3      SER   4   1.561  -0.590 -11.144
   24    HG   SER   4           HG       SER   4   2.960  -0.049 -13.191
   25    H    GLY   5           H        GLY   5   3.329   0.468  -7.564
   26    HA2  GLY   5           HA2      GLY   5   2.314   2.031  -6.226
   27    HA3  GLY   5           HA3      GLY   5   2.367   3.093  -7.626
   28    H    CYS   6           H        CYS   6   0.668   0.107  -7.926
   29    HA   CYS   6           HA       CYS   6  -1.729   1.272  -8.721
   30    HB2  CYS   6           HB2      CYS   6  -0.911  -1.454  -7.839
   31    HB3  CYS   6           HB3      CYS   6  -2.634  -1.105  -7.927
   32    H    ARG   7           H        ARG   7  -3.886   0.603  -7.531
   33    HA   ARG   7           HA       ARG   7  -3.754   1.908  -4.924
   34    HB2  ARG   7           HB2      ARG   7  -5.948   1.360  -6.895
   35    HB3  ARG   7           HB3      ARG   7  -6.343   1.733  -5.222
   36    HG2  ARG   7           HG2      ARG   7  -4.943   3.820  -5.492
   37    HG3  ARG   7           HG3      ARG   7  -4.926   3.467  -7.221
   38    HD2  ARG   7           HD2      ARG   7  -7.527   3.285  -6.873
   39    HD3  ARG   7           HD3      ARG   7  -7.188   4.295  -5.469
   40    HE   ARG   7           HE       ARG   7  -6.003   5.288  -7.883
   41   HH11  ARG   7          HH11      ARG   7  -8.910   5.195  -5.970
   42   HH12  ARG   7          HH12      ARG   7  -9.537   6.677  -6.614
   43   HH21  ARG   7          HH21      ARG   7  -6.817   7.240  -8.737
   44   HH22  ARG   7          HH22      ARG   7  -8.346   7.839  -8.188
   45    H    LYS   8           H        LYS   8  -4.689   1.034  -3.049
   46    HA   LYS   8           HA       LYS   8  -4.547  -1.859  -2.918
   47    HB2  LYS   8           HB2      LYS   8  -4.536   0.378  -0.967
   48    HB3  LYS   8           HB3      LYS   8  -5.187  -1.156  -0.404
   49    HG2  LYS   8           HG2      LYS   8  -3.164  -2.243  -0.604
   50    HG3  LYS   8           HG3      LYS   8  -2.544  -1.091  -1.788
   51    HD2  LYS   8           HD2      LYS   8  -1.362  -0.497   0.103
   52    HD3  LYS   8           HD3      LYS   8  -2.736   0.610   0.181
   53    HE2  LYS   8           HE2      LYS   8  -2.894  -2.051   1.530
   54    HE3  LYS   8           HE3      LYS   8  -2.006  -0.736   2.298
   55    HZ1  LYS   8           HZ1      LYS   8  -4.747  -1.175   2.325
   56    HZ2  LYS   8           HZ2      LYS   8  -4.500   0.212   1.390
   57    HZ3  LYS   8           HZ3      LYS   8  -3.907   0.143   2.972
   58    H    LYS   9           H        LYS   9  -6.211  -3.129  -1.840
   59    HA   LYS   9           HA       LYS   9  -8.910  -1.985  -2.068
   60    HB2  LYS   9           HB2      LYS   9  -8.255  -4.805  -2.907
   61    HB3  LYS   9           HB3      LYS   9  -9.744  -3.911  -3.184
   62    HG2  LYS   9           HG2      LYS   9  -8.564  -2.415  -4.713
   63    HG3  LYS   9           HG3      LYS   9  -7.071  -3.315  -4.437
   64    HD2  LYS   9           HD2      LYS   9  -9.611  -4.466  -5.591
   65    HD3  LYS   9           HD3      LYS   9  -8.197  -3.975  -6.527
   66    HE2  LYS   9           HE2      LYS   9  -7.733  -6.193  -6.306
   67    HE3  LYS   9           HE3      LYS   9  -6.978  -5.603  -4.826
   68    HZ1  LYS   9           HZ1      LYS   9  -9.753  -6.201  -4.475
   69    HZ2  LYS   9           HZ2      LYS   9  -8.416  -6.730  -3.583
   70    HZ3  LYS   9           HZ3      LYS   9  -8.873  -7.552  -4.989
   71    H    ARG  10           H        ARG  10 -10.564  -3.328  -0.924
   72    HA   ARG  10           HA       ARG  10  -9.902  -3.670   1.755
   73    HB2  ARG  10           HB2      ARG  10 -12.214  -3.398   0.672
   74    HB3  ARG  10           HB3      ARG  10 -12.170  -5.139   0.427
   75    HG2  ARG  10           HG2      ARG  10 -11.625  -4.106   3.155
   76    HG3  ARG  10           HG3      ARG  10 -13.284  -4.054   2.557
   77    HD2  ARG  10           HD2      ARG  10 -12.712  -6.548   1.864
   78    HD3  ARG  10           HD3      ARG  10 -11.554  -6.386   3.185
   79    HE   ARG  10           HE       ARG  10 -14.362  -6.709   3.424
   80   HH11  ARG  10          HH11      ARG  10 -11.637  -5.094   4.869
   81   HH12  ARG  10          HH12      ARG  10 -12.353  -5.015   6.445
   82   HH21  ARG  10          HH21      ARG  10 -15.315  -6.611   5.493
   83   HH22  ARG  10          HH22      ARG  10 -14.445  -5.880   6.799
   84    H    HIS  11           H        HIS  11 -10.162  -6.077  -0.832
   85    HA   HIS  11           HA       HIS  11  -9.754  -8.359   0.753
   86    HB2  HIS  11           HB2      HIS  11  -9.153  -7.844  -2.164
   87    HB3  HIS  11           HB3      HIS  11  -9.033  -9.429  -1.407
   88    HD1  HIS  11           HD1      HIS  11 -10.907 -10.354  -2.937
   89    HD2  HIS  11           HD2      HIS  11 -12.094  -7.212  -0.493
   90    HE1  HIS  11           HE1      HIS  11 -13.419 -10.332  -3.044
   91    H    GLY  12           H        GLY  12  -7.603  -5.887  -0.233
   92    HA2  GLY  12           HA2      GLY  12  -5.476  -5.685   0.877
   93    HA3  GLY  12           HA3      GLY  12  -5.361  -7.438   0.882
   94    H    GLY  13           H        GLY  13  -6.420  -7.277  -2.013
   95    HA2  GLY  13           HA2      GLY  13  -3.843  -7.406  -3.240
   96    HA3  GLY  13           HA3      GLY  13  -5.392  -7.544  -4.058
   97    H    CYS  14           H        CYS  14  -4.114  -6.301  -5.700
   98    HA   CYS  14           HA       CYS  14  -4.299  -3.413  -5.137
   99    HB2  CYS  14           HB2      CYS  14  -2.425  -4.685  -7.134
  100    HB3  CYS  14           HB3      CYS  14  -2.430  -3.015  -6.578
  101    H    SER  15           H        SER  15  -5.515  -2.209  -6.469
  102    HA   SER  15           HA       SER  15  -6.954  -3.582  -8.598
  103    HB2  SER  15           HB2      SER  15  -7.969  -2.004  -6.770
  104    HB3  SER  15           HB3      SER  15  -7.427  -0.715  -7.845
  105    HG   SER  15           HG       SER  15  -9.654  -1.951  -8.047
  106    H    CYS  16           H        CYS  16  -5.342  -3.743 -10.182
  107    HA   CYS  16           HA       CYS  16  -4.289  -1.228 -11.262
  108    HB2  CYS  16           HB2      CYS  16  -3.512  -4.059 -11.988
  109    HB3  CYS  16           HB3      CYS  16  -2.675  -2.582 -12.456
  110    HN1  NH2  17           H2       NH2  17  -5.459  -1.630 -14.638
  111    HN2  NH2  17           H1       NH2  17  -4.112  -1.155 -13.702
  Start of MODEL    5
    1    H1   TRP   1           H        TRP   1   1.933  -0.166   1.023
    2    HA   TRP   1           HA       TRP   1   2.020   0.713  -1.540
    3    HB2  TRP   1           HB2      TRP   1   4.017   0.338  -0.146
    4    HB3  TRP   1           HB3      TRP   1   3.839  -1.402  -0.364
    5    HD1  TRP   1           HD1      TRP   1   5.303   1.650  -1.985
    6    HE1  TRP   1           HE1      TRP   1   6.448   0.993  -4.194
    7    HE3  TRP   1           HE3      TRP   1   3.563  -3.139  -2.410
    8    HZ2  TRP   1           HZ2      TRP   1   6.594  -1.256  -5.893
    9    HZ3  TRP   1           HZ3      TRP   1   4.252  -4.475  -4.357
   10    HH2  TRP   1           HH2      TRP   1   5.736  -3.552  -6.062
   11    H    CYS   2           H        CYS   2   1.792  -0.086  -3.576
   12    HA   CYS   2           HA       CYS   2   1.128  -2.934  -3.871
   13    HB2  CYS   2           HB2      CYS   2  -0.540  -0.575  -4.555
   14    HB3  CYS   2           HB3      CYS   2  -0.508  -1.886  -5.730
   15    H    ALA   3           H        ALA   3   1.234  -3.663  -6.157
   16    HA   ALA   3           HA       ALA   3   3.700  -2.968  -7.318
   17    HB1  ALA   3           HB1      ALA   3   3.141  -4.496  -9.076
   18    HB2  ALA   3           HB2      ALA   3   2.565  -5.171  -7.551
   19    HB3  ALA   3           HB3      ALA   3   1.427  -4.415  -8.667
   20    H    SER   4           H        SER   4   4.247  -1.724  -9.064
   21    HA   SER   4           HA       SER   4   4.140   0.077 -10.455
   22    HB2  SER   4           HB2      SER   4   2.905  -1.598 -11.814
   23    HB3  SER   4           HB3      SER   4   1.396  -1.033 -11.098
   24    HG   SER   4           HG       SER   4   2.556  -0.083 -13.223
   25    H    GLY   5           H        GLY   5   3.232   0.450  -7.720
   26    HA2  GLY   5           HA2      GLY   5   2.283   2.098  -6.435
   27    HA3  GLY   5           HA3      GLY   5   2.260   3.074  -7.897
   28    H    CYS   6           H        CYS   6   0.577   0.083  -8.012
   29    HA   CYS   6           HA       CYS   6  -1.867   1.205  -8.713
   30    HB2  CYS   6           HB2      CYS   6  -0.983  -1.491  -7.797
   31    HB3  CYS   6           HB3      CYS   6  -2.712  -1.157  -7.820
   32    H    ARG   7           H        ARG   7  -3.958   0.572  -7.409
   33    HA   ARG   7           HA       ARG   7  -3.685   1.889  -4.812
   34    HB2  ARG   7           HB2      ARG   7  -6.053   1.348  -6.598
   35    HB3  ARG   7           HB3      ARG   7  -6.223   1.970  -4.962
   36    HG2  ARG   7           HG2      ARG   7  -4.548   3.333  -7.049
   37    HG3  ARG   7           HG3      ARG   7  -6.265   3.672  -6.823
   38    HD2  ARG   7           HD2      ARG   7  -4.122   3.953  -4.718
   39    HD3  ARG   7           HD3      ARG   7  -4.848   5.277  -5.627
   40    HE   ARG   7           HE       ARG   7  -6.985   4.078  -4.494
   41   HH11  ARG   7          HH11      ARG   7  -3.958   5.243  -3.229
   42   HH12  ARG   7          HH12      ARG   7  -4.608   5.632  -1.671
   43   HH21  ARG   7          HH21      ARG   7  -7.853   4.586  -2.446
   44   HH22  ARG   7          HH22      ARG   7  -6.824   5.257  -1.226
   45    H    LYS   8           H        LYS   8  -4.584   1.038  -2.911
   46    HA   LYS   8           HA       LYS   8  -4.521  -1.851  -2.782
   47    HB2  LYS   8           HB2      LYS   8  -4.477   0.387  -0.831
   48    HB3  LYS   8           HB3      LYS   8  -5.142  -1.140  -0.266
   49    HG2  LYS   8           HG2      LYS   8  -3.111  -2.282  -0.668
   50    HG3  LYS   8           HG3      LYS   8  -2.451  -0.926  -1.586
   51    HD2  LYS   8           HD2      LYS   8  -1.402  -0.681   0.460
   52    HD3  LYS   8           HD3      LYS   8  -2.791   0.394   0.631
   53    HE2  LYS   8           HE2      LYS   8  -2.928  -2.469   1.510
   54    HE3  LYS   8           HE3      LYS   8  -2.235  -1.232   2.555
   55    HZ1  LYS   8           HZ1      LYS   8  -4.575  -0.132   1.727
   56    HZ2  LYS   8           HZ2      LYS   8  -4.316  -0.886   3.219
   57    HZ3  LYS   8           HZ3      LYS   8  -4.981  -1.761   1.933
   58    H    LYS   9           H        LYS   9  -6.198  -3.168  -1.969
   59    HA   LYS   9           HA       LYS   9  -8.883  -1.961  -2.091
   60    HB2  LYS   9           HB2      LYS   9  -8.260  -4.777  -2.965
   61    HB3  LYS   9           HB3      LYS   9  -9.734  -3.858  -3.242
   62    HG2  LYS   9           HG2      LYS   9  -8.553  -2.378  -4.761
   63    HG3  LYS   9           HG3      LYS   9  -7.045  -3.241  -4.451
   64    HD2  LYS   9           HD2      LYS   9  -9.533  -4.440  -5.670
   65    HD3  LYS   9           HD3      LYS   9  -8.094  -3.941  -6.562
   66    HE2  LYS   9           HE2      LYS   9  -7.577  -6.135  -6.310
   67    HE3  LYS   9           HE3      LYS   9  -6.935  -5.548  -4.777
   68    HZ1  LYS   9           HZ1      LYS   9  -9.193  -7.269  -5.288
   69    HZ2  LYS   9           HZ2      LYS   9  -9.507  -6.042  -4.167
   70    HZ3  LYS   9           HZ3      LYS   9  -8.234  -7.124  -3.902
   71    H    ARG  10           H        ARG  10 -10.559  -3.277  -0.964
   72    HA   ARG  10           HA       ARG  10  -9.908  -3.680   1.708
   73    HB2  ARG  10           HB2      ARG  10 -12.221  -3.411   0.477
   74    HB3  ARG  10           HB3      ARG  10 -12.199  -5.169   0.494
   75    HG2  ARG  10           HG2      ARG  10 -12.346  -5.283   2.794
   76    HG3  ARG  10           HG3      ARG  10 -11.708  -3.652   3.018
   77    HD2  ARG  10           HD2      ARG  10 -13.726  -2.660   2.624
   78    HD3  ARG  10           HD3      ARG  10 -14.273  -3.949   1.553
   79    HE   ARG  10           HE       ARG  10 -15.175  -5.023   3.364
   80   HH11  ARG  10          HH11      ARG  10 -12.973  -2.565   4.471
   81   HH12  ARG  10          HH12      ARG  10 -13.415  -2.734   6.137
   82   HH21  ARG  10          HH21      ARG  10 -15.767  -5.255   5.554
   83   HH22  ARG  10          HH22      ARG  10 -15.004  -4.265   6.752
   84    H    HIS  11           H        HIS  11 -10.179  -6.019  -0.932
   85    HA   HIS  11           HA       HIS  11  -9.856  -8.349   0.602
   86    HB2  HIS  11           HB2      HIS  11  -9.242  -7.743  -2.289
   87    HB3  HIS  11           HB3      HIS  11  -9.055  -9.350  -1.593
   88    HD1  HIS  11           HD1      HIS  11 -10.943 -10.666  -2.511
   89    HD2  HIS  11           HD2      HIS  11 -12.152  -6.908  -1.214
   90    HE1  HIS  11           HE1      HIS  11 -13.446 -10.640  -2.761
   91    H    GLY  12           H        GLY  12  -7.631  -5.902  -0.274
   92    HA2  GLY  12           HA2      GLY  12  -5.524  -5.773   0.884
   93    HA3  GLY  12           HA3      GLY  12  -5.447  -7.529   0.847
   94    H    GLY  13           H        GLY  13  -6.448  -7.251  -2.068
   95    HA2  GLY  13           HA2      GLY  13  -3.845  -7.413  -3.242
   96    HA3  GLY  13           HA3      GLY  13  -5.379  -7.498  -4.096
   97    H    CYS  14           H        CYS  14  -4.040  -6.241  -5.679
   98    HA   CYS  14           HA       CYS  14  -4.225  -3.365  -5.063
   99    HB2  CYS  14           HB2      CYS  14  -2.216  -4.624  -6.936
  100    HB3  CYS  14           HB3      CYS  14  -2.273  -2.948  -6.402
  101    H    SER  15           H        SER  15  -5.588  -2.279  -6.312
  102    HA   SER  15           HA       SER  15  -6.833  -3.567  -8.568
  103    HB2  SER  15           HB2      SER  15  -7.910  -1.965  -6.810
  104    HB3  SER  15           HB3      SER  15  -7.273  -0.686  -7.842
  105    HG   SER  15           HG       SER  15  -9.378  -2.402  -8.258
  106    H    CYS  16           H        CYS  16  -5.752  -3.660 -10.427
  107    HA   CYS  16           HA       CYS  16  -4.389  -1.220 -11.364
  108    HB2  CYS  16           HB2      CYS  16  -3.668  -4.057 -12.116
  109    HB3  CYS  16           HB3      CYS  16  -2.779  -2.591 -12.516
  110    HN1  NH2  17           H2       NH2  17  -5.449  -1.784 -14.804
  111    HN2  NH2  17           H1       NH2  17  -4.049  -1.441 -13.888
  Start of MODEL    6
    1    H1   TRP   1           H        TRP   1   1.800  -0.805   0.254
    2    HA   TRP   1           HA       TRP   1   2.123   1.080  -1.906
    3    HB2  TRP   1           HB2      TRP   1   4.353   1.126  -0.841
    4    HB3  TRP   1           HB3      TRP   1   4.476  -0.619  -1.050
    5    HD1  TRP   1           HD1      TRP   1   5.021   2.630  -2.858
    6    HE1  TRP   1           HE1      TRP   1   5.907   2.160  -5.230
    7    HE3  TRP   1           HE3      TRP   1   4.244  -2.421  -3.030
    8    HZ2  TRP   1           HZ2      TRP   1   6.231  -0.057  -6.945
    9    HZ3  TRP   1           HZ3      TRP   1   4.869  -3.641  -5.074
   10    HH2  TRP   1           HH2      TRP   1   5.841  -2.482  -6.990
   11    H    CYS   2           H        CYS   2   1.452   0.192  -3.758
   12    HA   CYS   2           HA       CYS   2   1.226  -2.744  -3.868
   13    HB2  CYS   2           HB2      CYS   2  -0.638  -0.567  -4.606
   14    HB3  CYS   2           HB3      CYS   2  -0.559  -1.922  -5.729
   15    H    ALA   3           H        ALA   3   1.269  -3.661  -6.087
   16    HA   ALA   3           HA       ALA   3   3.628  -3.049  -7.417
   17    HB1  ALA   3           HB1      ALA   3   2.845  -5.182  -7.826
   18    HB2  ALA   3           HB2      ALA   3   1.204  -4.628  -8.166
   19    HB3  ALA   3           HB3      ALA   3   2.487  -4.362  -9.347
   20    H    SER   4           H        SER   4   4.179  -1.779  -9.118
   21    HA   SER   4           HA       SER   4   4.094   0.016 -10.517
   22    HB2  SER   4           HB2      SER   4   2.748  -1.721 -11.785
   23    HB3  SER   4           HB3      SER   4   1.298  -0.919 -11.179
   24    HG   SER   4           HG       SER   4   2.370  -0.289 -13.337
   25    H    GLY   5           H        GLY   5   3.230   0.434  -7.789
   26    HA2  GLY   5           HA2      GLY   5   2.324   2.112  -6.511
   27    HA3  GLY   5           HA3      GLY   5   2.262   3.061  -7.989
   28    H    CYS   6           H        CYS   6   0.576   0.069  -7.998
   29    HA   CYS   6           HA       CYS   6  -1.889   1.194  -8.644
   30    HB2  CYS   6           HB2      CYS   6  -0.984  -1.502  -7.743
   31    HB3  CYS   6           HB3      CYS   6  -2.711  -1.164  -7.738
   32    H    ARG   7           H        ARG   7  -3.937   0.532  -7.267
   33    HA   ARG   7           HA       ARG   7  -3.563   1.810  -4.656
   34    HB2  ARG   7           HB2      ARG   7  -5.867   1.567  -6.550
   35    HB3  ARG   7           HB3      ARG   7  -6.187   1.831  -4.841
   36    HG2  ARG   7           HG2      ARG   7  -4.766   3.852  -4.928
   37    HG3  ARG   7           HG3      ARG   7  -4.579   3.604  -6.665
   38    HD2  ARG   7           HD2      ARG   7  -7.230   3.945  -5.273
   39    HD3  ARG   7           HD3      ARG   7  -6.342   5.256  -6.048
   40    HE   ARG   7           HE       ARG   7  -6.703   3.131  -7.868
   41   HH11  ARG   7          HH11      ARG   7  -8.464   5.673  -6.270
   42   HH12  ARG   7          HH12      ARG   7  -9.645   5.825  -7.529
   43   HH21  ARG   7          HH21      ARG   7  -8.252   3.322  -9.533
   44   HH22  ARG   7          HH22      ARG   7  -9.524   4.487  -9.383
   45    H    LYS   8           H        LYS   8  -4.482   0.943  -2.768
   46    HA   LYS   8           HA       LYS   8  -4.520  -1.942  -2.710
   47    HB2  LYS   8           HB2      LYS   8  -4.408   0.247  -0.718
   48    HB3  LYS   8           HB3      LYS   8  -5.165  -1.249  -0.184
   49    HG2  LYS   8           HG2      LYS   8  -3.178  -2.497  -0.662
   50    HG3  LYS   8           HG3      LYS   8  -2.420  -1.089  -1.409
   51    HD2  LYS   8           HD2      LYS   8  -2.085  -0.030   0.623
   52    HD3  LYS   8           HD3      LYS   8  -3.360  -0.950   1.427
   53    HE2  LYS   8           HE2      LYS   8  -1.174  -1.672   2.201
   54    HE3  LYS   8           HE3      LYS   8  -1.968  -2.966   1.304
   55    HZ1  LYS   8           HZ1      LYS   8  -0.115  -1.142  -0.078
   56    HZ2  LYS   8           HZ2      LYS   8  -0.538  -2.732  -0.469
   57    HZ3  LYS   8           HZ3      LYS   8   0.496  -2.429   0.835
   58    H    LYS   9           H        LYS   9  -6.239  -3.240  -1.979
   59    HA   LYS   9           HA       LYS   9  -8.890  -1.960  -2.111
   60    HB2  LYS   9           HB2      LYS   9  -8.321  -4.787  -2.986
   61    HB3  LYS   9           HB3      LYS   9  -9.767  -3.833  -3.282
   62    HG2  LYS   9           HG2      LYS   9  -8.547  -2.385  -4.786
   63    HG3  LYS   9           HG3      LYS   9  -7.049  -3.252  -4.439
   64    HD2  LYS   9           HD2      LYS   9  -9.510  -4.463  -5.695
   65    HD3  LYS   9           HD3      LYS   9  -8.068  -3.947  -6.573
   66    HE2  LYS   9           HE2      LYS   9  -7.526  -6.135  -6.316
   67    HE3  LYS   9           HE3      LYS   9  -6.912  -5.542  -4.773
   68    HZ1  LYS   9           HZ1      LYS   9  -9.670  -6.186  -4.587
   69    HZ2  LYS   9           HZ2      LYS   9  -8.369  -6.789  -3.690
   70    HZ3  LYS   9           HZ3      LYS   9  -8.792  -7.515  -5.158
   71    H    ARG  10           H        ARG  10 -10.622  -3.348  -1.073
   72    HA   ARG  10           HA       ARG  10 -10.079  -3.709   1.628
   73    HB2  ARG  10           HB2      ARG  10 -12.292  -4.927  -0.035
   74    HB3  ARG  10           HB3      ARG  10 -12.262  -4.885   1.723
   75    HG2  ARG  10           HG2      ARG  10 -11.960  -2.289   1.283
   76    HG3  ARG  10           HG3      ARG  10 -12.782  -2.712  -0.221
   77    HD2  ARG  10           HD2      ARG  10 -14.603  -2.296   1.082
   78    HD3  ARG  10           HD3      ARG  10 -14.377  -4.005   1.451
   79    HE   ARG  10           HE       ARG  10 -12.883  -2.566   3.296
   80   HH11  ARG  10          HH11      ARG  10 -16.225  -2.954   2.400
   81   HH12  ARG  10          HH12      ARG  10 -16.825  -2.628   3.992
   82   HH21  ARG  10          HH21      ARG  10 -13.661  -2.137   5.397
   83   HH22  ARG  10          HH22      ARG  10 -15.366  -2.164   5.696
   84    H    HIS  11           H        HIS  11 -10.237  -6.105  -0.980
   85    HA   HIS  11           HA       HIS  11  -9.864  -8.389   0.614
   86    HB2  HIS  11           HB2      HIS  11  -9.122  -7.904  -2.278
   87    HB3  HIS  11           HB3      HIS  11  -9.142  -9.484  -1.500
   88    HD1  HIS  11           HD1      HIS  11 -11.167 -10.730  -2.132
   89    HD2  HIS  11           HD2      HIS  11 -11.919  -6.658  -1.794
   90    HE1  HIS  11           HE1      HIS  11 -13.614 -10.454  -2.642
   91    H    GLY  12           H        GLY  12  -7.699  -5.905  -0.305
   92    HA2  GLY  12           HA2      GLY  12  -5.604  -5.696   0.864
   93    HA3  GLY  12           HA3      GLY  12  -5.480  -7.450   0.865
   94    H    GLY  13           H        GLY  13  -6.469  -7.259  -2.062
   95    HA2  GLY  13           HA2      GLY  13  -3.880  -7.432  -3.231
   96    HA3  GLY  13           HA3      GLY  13  -5.412  -7.472  -4.094
   97    H    CYS  14           H        CYS  14  -4.033  -6.238  -5.660
   98    HA   CYS  14           HA       CYS  14  -4.167  -3.362  -5.032
   99    HB2  CYS  14           HB2      CYS  14  -2.137  -4.651  -6.864
  100    HB3  CYS  14           HB3      CYS  14  -2.178  -2.974  -6.328
  101    H    SER  15           H        SER  15  -5.548  -2.297  -6.271
  102    HA   SER  15           HA       SER  15  -6.709  -3.544  -8.594
  103    HB2  SER  15           HB2      SER  15  -7.831  -1.976  -6.805
  104    HB3  SER  15           HB3      SER  15  -7.231  -0.688  -7.849
  105    HG   SER  15           HG       SER  15  -9.288  -1.251  -8.519
  106    H    CYS  16           H        CYS  16  -6.250  -3.175 -10.676
  107    HA   CYS  16           HA       CYS  16  -4.594  -0.857 -11.380
  108    HB2  CYS  16           HB2      CYS  16  -4.066  -3.640 -12.434
  109    HB3  CYS  16           HB3      CYS  16  -3.115  -2.190 -12.735
  110    HN1  NH2  17           H2       NH2  17  -5.894  -0.890 -14.743
  111    HN2  NH2  17           H1       NH2  17  -4.468  -0.631 -13.839
  Start of MODEL    7
    1    H1   TRP   1           H        TRP   1   1.664  -0.946   0.539
    2    HA   TRP   1           HA       TRP   1   1.837   0.937  -1.717
    3    HB2  TRP   1           HB2      TRP   1   3.961   0.921  -0.449
    4    HB3  TRP   1           HB3      TRP   1   4.080  -0.818  -0.697
    5    HD1  TRP   1           HD1      TRP   1   4.828   2.470  -2.354
    6    HE1  TRP   1           HE1      TRP   1   5.921   2.053  -4.647
    7    HE3  TRP   1           HE3      TRP   1   4.009  -2.561  -2.741
    8    HZ2  TRP   1           HZ2      TRP   1   6.374  -0.120  -6.390
    9    HZ3  TRP   1           HZ3      TRP   1   4.802  -3.734  -4.754
   10    HH2  TRP   1           HH2      TRP   1   5.961  -2.537  -6.539
   11    H    CYS   2           H        CYS   2   1.350   0.105  -3.654
   12    HA   CYS   2           HA       CYS   2   1.126  -2.827  -3.869
   13    HB2  CYS   2           HB2      CYS   2  -0.696  -0.634  -4.696
   14    HB3  CYS   2           HB3      CYS   2  -0.551  -1.998  -5.798
   15    H    ALA   3           H        ALA   3   1.283  -3.638  -6.142
   16    HA   ALA   3           HA       ALA   3   3.731  -2.908  -7.287
   17    HB1  ALA   3           HB1      ALA   3   2.770  -5.121  -7.574
   18    HB2  ALA   3           HB2      ALA   3   1.450  -4.443  -8.528
   19    HB3  ALA   3           HB3      ALA   3   3.103  -4.385  -9.142
   20    H    SER   4           H        SER   4   4.296  -1.684  -9.048
   21    HA   SER   4           HA       SER   4   4.200   0.113 -10.446
   22    HB2  SER   4           HB2      SER   4   2.910  -1.659 -11.728
   23    HB3  SER   4           HB3      SER   4   1.435  -0.880 -11.156
   24    HG   SER   4           HG       SER   4   1.693   0.372 -12.818
   25    H    GLY   5           H        GLY   5   3.280   0.524  -7.736
   26    HA2  GLY   5           HA2      GLY   5   2.291   2.165  -6.474
   27    HA3  GLY   5           HA3      GLY   5   2.285   3.130  -7.943
   28    H    CYS   6           H        CYS   6   0.614   0.109  -7.962
   29    HA   CYS   6           HA       CYS   6  -1.829   1.228  -8.733
   30    HB2  CYS   6           HB2      CYS   6  -0.939  -1.464  -7.810
   31    HB3  CYS   6           HB3      CYS   6  -2.668  -1.139  -7.858
   32    H    ARG   7           H        ARG   7  -3.924   0.551  -7.439
   33    HA   ARG   7           HA       ARG   7  -3.692   1.889  -4.850
   34    HB2  ARG   7           HB2      ARG   7  -5.947   1.390  -6.759
   35    HB3  ARG   7           HB3      ARG   7  -6.296   1.745  -5.073
   36    HG2  ARG   7           HG2      ARG   7  -4.852   3.812  -5.363
   37    HG3  ARG   7           HG3      ARG   7  -4.930   3.489  -7.096
   38    HD2  ARG   7           HD2      ARG   7  -7.230   4.036  -5.229
   39    HD3  ARG   7           HD3      ARG   7  -6.649   5.064  -6.538
   40    HE   ARG   7           HE       ARG   7  -8.394   2.799  -6.762
   41   HH11  ARG   7          HH11      ARG   7  -6.045   4.759  -8.423
   42   HH12  ARG   7          HH12      ARG   7  -6.645   4.371 -10.002
   43   HH21  ARG   7          HH21      ARG   7  -9.194   2.281  -8.835
   44   HH22  ARG   7          HH22      ARG   7  -8.436   2.962 -10.235
   45    H    LYS   8           H        LYS   8  -4.698   1.048  -2.963
   46    HA   LYS   8           HA       LYS   8  -4.524  -1.842  -2.799
   47    HB2  LYS   8           HB2      LYS   8  -4.549   0.414  -0.874
   48    HB3  LYS   8           HB3      LYS   8  -5.203  -1.115  -0.299
   49    HG2  LYS   8           HG2      LYS   8  -3.103  -2.227  -0.891
   50    HG3  LYS   8           HG3      LYS   8  -2.449  -0.683  -1.443
   51    HD2  LYS   8           HD2      LYS   8  -3.461  -1.140   1.356
   52    HD3  LYS   8           HD3      LYS   8  -1.779  -1.388   0.885
   53    HE2  LYS   8           HE2      LYS   8  -3.229   1.202   0.405
   54    HE3  LYS   8           HE3      LYS   8  -2.370   0.864   1.907
   55    HZ1  LYS   8           HZ1      LYS   8  -0.733   0.269  -0.325
   56    HZ2  LYS   8           HZ2      LYS   8  -0.456   1.359   0.938
   57    HZ3  LYS   8           HZ3      LYS   8  -1.304   1.857  -0.438
   58    H    LYS   9           H        LYS   9  -6.187  -3.118  -1.729
   59    HA   LYS   9           HA       LYS   9  -8.893  -1.999  -1.974
   60    HB2  LYS   9           HB2      LYS   9  -8.212  -4.804  -2.843
   61    HB3  LYS   9           HB3      LYS   9  -9.707  -3.919  -3.116
   62    HG2  LYS   9           HG2      LYS   9  -8.491  -2.372  -4.598
   63    HG3  LYS   9           HG3      LYS   9  -7.030  -3.336  -4.366
   64    HD2  LYS   9           HD2      LYS   9  -9.623  -4.372  -5.510
   65    HD3  LYS   9           HD3      LYS   9  -8.221  -3.881  -6.463
   66    HE2  LYS   9           HE2      LYS   9  -7.837  -6.129  -6.329
   67    HE3  LYS   9           HE3      LYS   9  -6.982  -5.591  -4.884
   68    HZ1  LYS   9           HZ1      LYS   9  -8.302  -6.852  -3.659
   69    HZ2  LYS   9           HZ2      LYS   9  -9.085  -7.410  -5.051
   70    HZ3  LYS   9           HZ3      LYS   9  -9.676  -6.051  -4.234
   71    H    ARG  10           H        ARG  10 -10.530  -3.206  -0.767
   72    HA   ARG  10           HA       ARG  10  -9.797  -3.681   1.874
   73    HB2  ARG  10           HB2      ARG  10 -12.229  -4.855   0.525
   74    HB3  ARG  10           HB3      ARG  10 -12.037  -4.456   2.227
   75    HG2  ARG  10           HG2      ARG  10 -11.694  -2.039   1.382
   76    HG3  ARG  10           HG3      ARG  10 -12.439  -2.631  -0.105
   77    HD2  ARG  10           HD2      ARG  10 -14.391  -3.370   1.170
   78    HD3  ARG  10           HD3      ARG  10 -13.644  -2.786   2.656
   79    HE   ARG  10           HE       ARG  10 -15.011  -1.226   0.687
   80   HH11  ARG  10          HH11      ARG  10 -12.503  -1.158   3.101
   81   HH12  ARG  10          HH12      ARG  10 -12.628   0.549   3.371
   82   HH21  ARG  10          HH21      ARG  10 -15.185   1.022   1.033
   83   HH22  ARG  10          HH22      ARG  10 -14.155   1.787   2.195
   84    H    HIS  11           H        HIS  11 -10.115  -5.901  -0.833
   85    HA   HIS  11           HA       HIS  11  -9.939  -8.301   0.653
   86    HB2  HIS  11           HB2      HIS  11  -9.379  -7.632  -2.233
   87    HB3  HIS  11           HB3      HIS  11  -9.189  -9.263  -1.595
   88    HD1  HIS  11           HD1      HIS  11 -11.164 -10.654  -2.061
   89    HD2  HIS  11           HD2      HIS  11 -12.199  -6.672  -1.475
   90    HE1  HIS  11           HE1      HIS  11 -13.662 -10.561  -2.340
   91    H    GLY  12           H        GLY  12  -7.615  -5.938  -0.193
   92    HA2  GLY  12           HA2      GLY  12  -5.488  -5.942   0.935
   93    HA3  GLY  12           HA3      GLY  12  -5.494  -7.697   0.846
   94    H    GLY  13           H        GLY  13  -6.521  -7.294  -2.042
   95    HA2  GLY  13           HA2      GLY  13  -3.927  -7.495  -3.251
   96    HA3  GLY  13           HA3      GLY  13  -5.474  -7.572  -4.082
   97    H    CYS  14           H        CYS  14  -4.155  -6.311  -5.678
   98    HA   CYS  14           HA       CYS  14  -4.313  -3.437  -5.043
   99    HB2  CYS  14           HB2      CYS  14  -2.358  -4.701  -6.971
  100    HB3  CYS  14           HB3      CYS  14  -2.390  -3.025  -6.429
  101    H    SER  15           H        SER  15  -5.052  -2.051  -6.664
  102    HA   SER  15           HA       SER  15  -6.565  -3.401  -8.791
  103    HB2  SER  15           HB2      SER  15  -7.953  -2.083  -7.296
  104    HB3  SER  15           HB3      SER  15  -6.928  -0.668  -7.539
  105    HG   SER  15           HG       SER  15  -8.733  -0.510  -8.863
  106    H    CYS  16           H        CYS  16  -5.764  -3.309 -10.770
  107    HA   CYS  16           HA       CYS  16  -4.219  -0.930 -11.562
  108    HB2  CYS  16           HB2      CYS  16  -3.648  -3.737 -12.519
  109    HB3  CYS  16           HB3      CYS  16  -2.684  -2.292 -12.805
  110    HN1  NH2  17           H2       NH2  17  -5.671  -0.763 -14.762
  111    HN2  NH2  17           H1       NH2  17  -4.403  -0.274 -13.729
  Start of MODEL    8
    1    H1   TRP   1           H        TRP   1   1.600   0.194   0.805
    2    HA   TRP   1           HA       TRP   1   1.709   1.264  -1.847
    3    HB2  TRP   1           HB2      TRP   1   3.678   1.204  -0.346
    4    HB3  TRP   1           HB3      TRP   1   3.672  -0.555  -0.435
    5    HD1  TRP   1           HD1      TRP   1   4.912   2.491  -2.234
    6    HE1  TRP   1           HE1      TRP   1   6.179   1.789  -4.361
    7    HE3  TRP   1           HE3      TRP   1   3.605  -2.450  -2.364
    8    HZ2  TRP   1           HZ2      TRP   1   6.574  -0.550  -5.891
    9    HZ3  TRP   1           HZ3      TRP   1   4.470  -3.850  -4.193
   10    HH2  TRP   1           HH2      TRP   1   5.923  -2.919  -5.920
   11    H    CYS   2           H        CYS   2   1.555   0.245  -3.779
   12    HA   CYS   2           HA       CYS   2   1.189  -2.672  -3.779
   13    HB2  CYS   2           HB2      CYS   2  -0.688  -0.575  -4.725
   14    HB3  CYS   2           HB3      CYS   2  -0.513  -1.999  -5.745
   15    H    ALA   3           H        ALA   3   1.297  -3.566  -6.054
   16    HA   ALA   3           HA       ALA   3   3.750  -2.876  -7.227
   17    HB1  ALA   3           HB1      ALA   3   1.594  -4.346  -8.707
   18    HB2  ALA   3           HB2      ALA   3   3.343  -4.566  -8.784
   19    HB3  ALA   3           HB3      ALA   3   2.451  -5.085  -7.353
   20    H    SER   4           H        SER   4   4.302  -1.711  -9.029
   21    HA   SER   4           HA       SER   4   4.191   0.023 -10.502
   22    HB2  SER   4           HB2      SER   4   2.704  -1.898 -11.542
   23    HB3  SER   4           HB3      SER   4   1.400  -0.749 -11.246
   24    HG   SER   4           HG       SER   4   2.766   0.796 -12.417
   25    H    GLY   5           H        GLY   5   3.293   0.538  -7.803
   26    HA2  GLY   5           HA2      GLY   5   2.326   2.238  -6.602
   27    HA3  GLY   5           HA3      GLY   5   2.279   3.132  -8.114
   28    H    CYS   6           H        CYS   6   0.640   0.116  -8.052
   29    HA   CYS   6           HA       CYS   6  -1.830   1.187  -8.777
   30    HB2  CYS   6           HB2      CYS   6  -0.906  -1.474  -7.787
   31    HB3  CYS   6           HB3      CYS   6  -2.637  -1.160  -7.841
   32    H    ARG   7           H        ARG   7  -3.892   0.522  -7.421
   33    HA   ARG   7           HA       ARG   7  -3.607   1.907  -4.859
   34    HB2  ARG   7           HB2      ARG   7  -5.894   1.417  -6.731
   35    HB3  ARG   7           HB3      ARG   7  -6.215   1.792  -5.044
   36    HG2  ARG   7           HG2      ARG   7  -4.775   3.844  -5.360
   37    HG3  ARG   7           HG3      ARG   7  -4.832   3.499  -7.089
   38    HD2  ARG   7           HD2      ARG   7  -7.408   3.401  -6.695
   39    HD3  ARG   7           HD3      ARG   7  -7.031   4.325  -5.243
   40    HE   ARG   7           HE       ARG   7  -6.704   6.155  -6.562
   41   HH11  ARG   7          HH11      ARG   7  -6.434   3.299  -8.536
   42   HH12  ARG   7          HH12      ARG   7  -6.287   4.180 -10.019
   43   HH21  ARG   7          HH21      ARG   7  -6.511   7.326  -8.510
   44   HH22  ARG   7          HH22      ARG   7  -6.330   6.470 -10.004
   45    H    LYS   8           H        LYS   8  -4.692   1.110  -2.965
   46    HA   LYS   8           HA       LYS   8  -4.470  -1.770  -2.729
   47    HB2  LYS   8           HB2      LYS   8  -4.619   0.529  -0.861
   48    HB3  LYS   8           HB3      LYS   8  -5.259  -1.001  -0.275
   49    HG2  LYS   8           HG2      LYS   8  -3.183  -2.068  -0.457
   50    HG3  LYS   8           HG3      LYS   8  -2.524  -0.795  -1.486
   51    HD2  LYS   8           HD2      LYS   8  -1.547  -0.359   0.578
   52    HD3  LYS   8           HD3      LYS   8  -2.927   0.742   0.552
   53    HE2  LYS   8           HE2      LYS   8  -3.179  -1.994   1.742
   54    HE3  LYS   8           HE3      LYS   8  -2.475  -0.674   2.674
   55    HZ1  LYS   8           HZ1      LYS   8  -5.229  -1.003   1.708
   56    HZ2  LYS   8           HZ2      LYS   8  -4.620   0.559   1.923
   57    HZ3  LYS   8           HZ3      LYS   8  -4.677  -0.513   3.230
   58    H    LYS   9           H        LYS   9  -6.144  -3.049  -1.659
   59    HA   LYS   9           HA       LYS   9  -8.864  -2.001  -2.007
   60    HB2  LYS   9           HB2      LYS   9  -8.101  -4.783  -2.880
   61    HB3  LYS   9           HB3      LYS   9  -9.606  -3.925  -3.187
   62    HG2  LYS   9           HG2      LYS   9  -8.384  -2.346  -4.626
   63    HG3  LYS   9           HG3      LYS   9  -6.907  -3.274  -4.355
   64    HD2  LYS   9           HD2      LYS   9  -9.441  -4.320  -5.618
   65    HD3  LYS   9           HD3      LYS   9  -7.973  -3.862  -6.484
   66    HE2  LYS   9           HE2      LYS   9  -6.731  -5.594  -5.275
   67    HE3  LYS   9           HE3      LYS   9  -8.203  -6.053  -4.421
   68    HZ1  LYS   9           HZ1      LYS   9  -8.754  -6.077  -7.157
   69    HZ2  LYS   9           HZ2      LYS   9  -8.699  -7.390  -6.094
   70    HZ3  LYS   9           HZ3      LYS   9  -7.305  -6.921  -6.930
   71    H    ARG  10           H        ARG  10 -10.498  -3.199  -0.822
   72    HA   ARG  10           HA       ARG  10  -9.805  -3.714   1.820
   73    HB2  ARG  10           HB2      ARG  10 -12.076  -3.153   1.197
   74    HB3  ARG  10           HB3      ARG  10 -12.220  -4.629   0.251
   75    HG2  ARG  10           HG2      ARG  10 -13.381  -4.786   2.398
   76    HG3  ARG  10           HG3      ARG  10 -12.078  -5.969   2.261
   77    HD2  ARG  10           HD2      ARG  10 -10.741  -4.868   3.790
   78    HD3  ARG  10           HD3      ARG  10 -11.543  -3.319   3.530
   79    HE   ARG  10           HE       ARG  10 -13.459  -4.945   4.629
   80   HH11  ARG  10          HH11      ARG  10 -10.288  -3.839   5.551
   81   HH12  ARG  10          HH12      ARG  10 -10.623  -3.891   7.251
   82   HH21  ARG  10          HH21      ARG  10 -13.910  -5.017   6.864
   83   HH22  ARG  10          HH22      ARG  10 -12.682  -4.562   7.997
   84    H    HIS  11           H        HIS  11 -10.227  -5.944  -0.887
   85    HA   HIS  11           HA       HIS  11 -10.025  -8.342   0.562
   86    HB2  HIS  11           HB2      HIS  11  -9.210  -7.788  -2.299
   87    HB3  HIS  11           HB3      HIS  11  -9.469  -9.382  -1.599
   88    HD1  HIS  11           HD1      HIS  11 -11.161  -8.991  -3.912
   89    HD2  HIS  11           HD2      HIS  11 -12.289  -7.498  -0.202
   90    HE1  HIS  11           HE1      HIS  11 -13.653  -8.681  -4.041
   91    H    GLY  12           H        GLY  12  -7.678  -5.983  -0.217
   92    HA2  GLY  12           HA2      GLY  12  -5.567  -6.016   0.939
   93    HA3  GLY  12           HA3      GLY  12  -5.579  -7.770   0.822
   94    H    GLY  13           H        GLY  13  -6.565  -7.316  -2.072
   95    HA2  GLY  13           HA2      GLY  13  -3.960  -7.523  -3.252
   96    HA3  GLY  13           HA3      GLY  13  -5.496  -7.556  -4.106
   97    H    CYS  14           H        CYS  14  -4.135  -6.282  -5.656
   98    HA   CYS  14           HA       CYS  14  -4.270  -3.420  -4.964
   99    HB2  CYS  14           HB2      CYS  14  -2.263  -4.699  -6.829
  100    HB3  CYS  14           HB3      CYS  14  -2.314  -3.012  -6.330
  101    H    SER  15           H        SER  15  -5.544  -2.237  -6.225
  102    HA   SER  15           HA       SER  15  -6.826  -3.457  -8.508
  103    HB2  SER  15           HB2      SER  15  -7.883  -1.878  -6.719
  104    HB3  SER  15           HB3      SER  15  -7.206  -0.586  -7.709
  105    HG   SER  15           HG       SER  15  -8.432  -1.292  -9.434
  106    H    CYS  16           H        CYS  16  -6.072  -3.351 -10.506
  107    HA   CYS  16           HA       CYS  16  -4.468  -1.008 -11.292
  108    HB2  CYS  16           HB2      CYS  16  -4.011  -3.854 -12.212
  109    HB3  CYS  16           HB3      CYS  16  -3.054  -2.444 -12.653
  110    HN1  NH2  17           H2       NH2  17  -5.666  -1.347 -14.747
  111    HN2  NH2  17           H1       NH2  17  -4.192  -1.252 -13.889
  Start of MODEL    9
    1    H1   TRP   1           H        TRP   1   0.979   0.105   0.554
    2    HA   TRP   1           HA       TRP   1   1.147   1.495  -2.034
    3    HB2  TRP   1           HB2      TRP   1   3.117   1.714  -0.542
    4    HB3  TRP   1           HB3      TRP   1   3.305  -0.038  -0.568
    5    HD1  TRP   1           HD1      TRP   1   4.133   3.065  -2.527
    6    HE1  TRP   1           HE1      TRP   1   5.484   2.426  -4.622
    7    HE3  TRP   1           HE3      TRP   1   3.522  -2.009  -2.371
    8    HZ2  TRP   1           HZ2      TRP   1   6.195   0.082  -6.025
    9    HZ3  TRP   1           HZ3      TRP   1   4.569  -3.377  -4.127
   10    HH2  TRP   1           HH2      TRP   1   5.878  -2.351  -5.916
   11    H    CYS   2           H        CYS   2   1.322   0.350  -3.938
   12    HA   CYS   2           HA       CYS   2   1.178  -2.575  -3.790
   13    HB2  CYS   2           HB2      CYS   2  -0.874  -0.726  -4.879
   14    HB3  CYS   2           HB3      CYS   2  -0.531  -2.173  -5.823
   15    H    ALA   3           H        ALA   3   1.483  -3.583  -5.975
   16    HA   ALA   3           HA       ALA   3   3.874  -2.776  -7.128
   17    HB1  ALA   3           HB1      ALA   3   3.316  -4.345  -8.963
   18    HB2  ALA   3           HB2      ALA   3   3.084  -5.037  -7.357
   19    HB3  ALA   3           HB3      ALA   3   1.691  -4.496  -8.294
   20    H    SER   4           H        SER   4   4.444  -1.548  -8.864
   21    HA   SER   4           HA       SER   4   4.310   0.138 -10.387
   22    HB2  SER   4           HB2      SER   4   3.123  -1.709 -11.628
   23    HB3  SER   4           HB3      SER   4   1.600  -1.013 -11.074
   24    HG   SER   4           HG       SER   4   3.335  -0.145 -13.030
   25    H    GLY   5           H        GLY   5   3.326   0.638  -7.710
   26    HA2  GLY   5           HA2      GLY   5   2.299   2.332  -6.551
   27    HA3  GLY   5           HA3      GLY   5   2.229   3.198  -8.078
   28    H    CYS   6           H        CYS   6   0.711   0.116  -7.955
   29    HA   CYS   6           HA       CYS   6  -1.792   1.068  -8.729
   30    HB2  CYS   6           HB2      CYS   6  -0.743  -1.522  -7.705
   31    HB3  CYS   6           HB3      CYS   6  -2.489  -1.294  -7.690
   32    H    ARG   7           H        ARG   7  -3.839   0.360  -7.373
   33    HA   ARG   7           HA       ARG   7  -3.603   1.768  -4.811
   34    HB2  ARG   7           HB2      ARG   7  -6.002   1.178  -6.552
   35    HB3  ARG   7           HB3      ARG   7  -6.094   1.958  -4.977
   36    HG2  ARG   7           HG2      ARG   7  -4.363   3.613  -6.059
   37    HG3  ARG   7           HG3      ARG   7  -5.069   3.010  -7.559
   38    HD2  ARG   7           HD2      ARG   7  -6.419   4.823  -7.102
   39    HD3  ARG   7           HD3      ARG   7  -7.332   3.504  -6.371
   40    HE   ARG   7           HE       ARG   7  -6.960   4.434  -4.310
   41   HH11  ARG   7          HH11      ARG   7  -4.799   5.877  -6.628
   42   HH12  ARG   7          HH12      ARG   7  -4.232   7.096  -5.535
   43   HH21  ARG   7          HH21      ARG   7  -6.221   6.034  -2.862
   44   HH22  ARG   7          HH22      ARG   7  -5.040   7.184  -3.393
   45    H    LYS   8           H        LYS   8  -4.453   0.920  -2.907
   46    HA   LYS   8           HA       LYS   8  -4.468  -1.968  -2.780
   47    HB2  LYS   8           HB2      LYS   8  -4.323   0.267  -0.836
   48    HB3  LYS   8           HB3      LYS   8  -5.036  -1.234  -0.256
   49    HG2  LYS   8           HG2      LYS   8  -3.046  -2.453  -0.739
   50    HG3  LYS   8           HG3      LYS   8  -2.341  -1.073  -1.583
   51    HD2  LYS   8           HD2      LYS   8  -1.883   0.057   0.367
   52    HD3  LYS   8           HD3      LYS   8  -3.169  -0.753   1.264
   53    HE2  LYS   8           HE2      LYS   8  -1.888  -2.762   1.422
   54    HE3  LYS   8           HE3      LYS   8  -0.673  -2.143   0.305
   55    HZ1  LYS   8           HZ1      LYS   8   0.259  -1.872   2.405
   56    HZ2  LYS   8           HZ2      LYS   8  -1.183  -1.325   3.098
   57    HZ3  LYS   8           HZ3      LYS   8  -0.327  -0.328   2.032
   58    H    LYS   9           H        LYS   9  -6.161  -3.205  -1.784
   59    HA   LYS   9           HA       LYS   9  -8.816  -1.940  -1.913
   60    HB2  LYS   9           HB2      LYS   9  -8.290  -4.772  -2.801
   61    HB3  LYS   9           HB3      LYS   9  -9.746  -3.814  -3.041
   62    HG2  LYS   9           HG2      LYS   9  -8.497  -2.330  -4.551
   63    HG3  LYS   9           HG3      LYS   9  -7.069  -3.348  -4.342
   64    HD2  LYS   9           HD2      LYS   9  -9.717  -4.323  -5.409
   65    HD3  LYS   9           HD3      LYS   9  -8.358  -3.826  -6.419
   66    HE2  LYS   9           HE2      LYS   9  -7.928  -6.057  -6.334
   67    HE3  LYS   9           HE3      LYS   9  -7.077  -5.565  -4.870
   68    HZ1  LYS   9           HZ1      LYS   9  -8.852  -7.518  -4.908
   69    HZ2  LYS   9           HZ2      LYS   9  -9.899  -6.229  -4.584
   70    HZ3  LYS   9           HZ3      LYS   9  -8.601  -6.547  -3.546
   71    H    ARG  10           H        ARG  10 -10.489  -3.120  -0.698
   72    HA   ARG  10           HA       ARG  10  -9.736  -3.610   1.936
   73    HB2  ARG  10           HB2      ARG  10 -12.026  -4.564   2.204
   74    HB3  ARG  10           HB3      ARG  10 -11.999  -2.991   1.419
   75    HG2  ARG  10           HG2      ARG  10 -11.843  -4.879  -0.644
   76    HG3  ARG  10           HG3      ARG  10 -13.069  -5.475   0.478
   77    HD2  ARG  10           HD2      ARG  10 -14.436  -3.656   0.163
   78    HD3  ARG  10           HD3      ARG  10 -13.102  -2.598  -0.294
   79    HE   ARG  10           HE       ARG  10 -13.332  -4.538  -2.270
   80   HH11  ARG  10          HH11      ARG  10 -15.224  -1.930  -0.951
   81   HH12  ARG  10          HH12      ARG  10 -16.056  -1.609  -2.437
   82   HH21  ARG  10          HH21      ARG  10 -14.420  -4.125  -4.232
   83   HH22  ARG  10          HH22      ARG  10 -15.598  -2.859  -4.301
   84    H    HIS  11           H        HIS  11 -10.131  -5.814  -0.769
   85    HA   HIS  11           HA       HIS  11  -9.989  -8.215   0.740
   86    HB2  HIS  11           HB2      HIS  11  -9.473  -7.626  -2.177
   87    HB3  HIS  11           HB3      HIS  11  -9.428  -9.250  -1.497
   88    HD1  HIS  11           HD1      HIS  11 -11.607 -10.457  -1.328
   89    HD2  HIS  11           HD2      HIS  11 -12.104  -6.383  -1.976
   90    HE1  HIS  11           HE1      HIS  11 -14.070 -10.134  -1.719
   91    H    GLY  12           H        GLY  12  -7.646  -5.920  -0.217
   92    HA2  GLY  12           HA2      GLY  12  -5.473  -5.977   0.817
   93    HA3  GLY  12           HA3      GLY  12  -5.526  -7.731   0.734
   94    H    GLY  13           H        GLY  13  -6.670  -7.298  -2.109
   95    HA2  GLY  13           HA2      GLY  13  -4.184  -7.655  -3.453
   96    HA3  GLY  13           HA3      GLY  13  -5.763  -7.522  -4.213
   97    H    CYS  14           H        CYS  14  -4.378  -6.346  -5.817
   98    HA   CYS  14           HA       CYS  14  -4.289  -3.492  -5.101
   99    HB2  CYS  14           HB2      CYS  14  -2.311  -4.904  -6.902
  100    HB3  CYS  14           HB3      CYS  14  -2.285  -3.204  -6.445
  101    H    SER  15           H        SER  15  -5.700  -2.394  -6.275
  102    HA   SER  15           HA       SER  15  -6.950  -3.481  -8.590
  103    HB2  SER  15           HB2      SER  15  -8.102  -1.939  -7.028
  104    HB3  SER  15           HB3      SER  15  -7.030  -0.638  -7.549
  105    HG   SER  15           HG       SER  15  -8.683  -2.099  -9.326
  106    H    CYS  16           H        CYS  16  -5.682  -3.780 -10.337
  107    HA   CYS  16           HA       CYS  16  -4.222  -1.433 -11.363
  108    HB2  CYS  16           HB2      CYS  16  -3.493  -4.322 -11.870
  109    HB3  CYS  16           HB3      CYS  16  -2.558  -2.893 -12.298
  110    HN1  NH2  17           H2       NH2  17  -5.300  -1.874 -14.715
  111    HN2  NH2  17           H1       NH2  17  -4.073  -1.270 -13.693
  Start of MODEL   10
    1    H1   TRP   1           H        TRP   1   1.941   0.415   0.792
    2    HA   TRP   1           HA       TRP   1   1.767   1.259  -1.834
    3    HB2  TRP   1           HB2      TRP   1   3.843   1.302  -0.503
    4    HB3  TRP   1           HB3      TRP   1   3.945  -0.453  -0.614
    5    HD1  TRP   1           HD1      TRP   1   4.815   2.691  -2.477
    6    HE1  TRP   1           HE1      TRP   1   5.983   2.089  -4.690
    7    HE3  TRP   1           HE3      TRP   1   3.914  -2.342  -2.530
    8    HZ2  TRP   1           HZ2      TRP   1   6.460  -0.214  -6.251
    9    HZ3  TRP   1           HZ3      TRP   1   4.760  -3.672  -4.419
   10    HH2  TRP   1           HH2      TRP   1   6.007  -2.628  -6.240
   11    H    CYS   2           H        CYS   2   1.360   0.321  -3.742
   12    HA   CYS   2           HA       CYS   2   1.143  -2.618  -3.812
   13    HB2  CYS   2           HB2      CYS   2  -0.703  -0.493  -4.770
   14    HB3  CYS   2           HB3      CYS   2  -0.541  -1.927  -5.779
   15    H    ALA   3           H        ALA   3   1.359  -3.543  -6.023
   16    HA   ALA   3           HA       ALA   3   3.792  -2.832  -7.189
   17    HB1  ALA   3           HB1      ALA   3   1.543  -4.405  -8.442
   18    HB2  ALA   3           HB2      ALA   3   3.230  -4.406  -8.957
   19    HB3  ALA   3           HB3      ALA   3   2.790  -5.061  -7.381
   20    H    SER   4           H        SER   4   4.370  -1.645  -8.960
   21    HA   SER   4           HA       SER   4   4.275   0.092 -10.433
   22    HB2  SER   4           HB2      SER   4   3.087  -1.683 -11.731
   23    HB3  SER   4           HB3      SER   4   1.558  -1.057 -11.115
   24    HG   SER   4           HG       SER   4   1.988   0.896 -12.163
   25    H    GLY   5           H        GLY   5   3.290   0.570  -7.746
   26    HA2  GLY   5           HA2      GLY   5   2.292   2.268  -6.565
   27    HA3  GLY   5           HA3      GLY   5   2.261   3.163  -8.078
   28    H    CYS   6           H        CYS   6   0.661   0.124  -8.048
   29    HA   CYS   6           HA       CYS   6  -1.807   1.152  -8.826
   30    HB2  CYS   6           HB2      CYS   6  -0.880  -1.484  -7.765
   31    HB3  CYS   6           HB3      CYS   6  -2.611  -1.188  -7.888
   32    H    ARG   7           H        ARG   7  -3.888   0.483  -7.505
   33    HA   ARG   7           HA       ARG   7  -3.692   1.940  -4.981
   34    HB2  ARG   7           HB2      ARG   7  -6.169   1.040  -6.462
   35    HB3  ARG   7           HB3      ARG   7  -6.101   2.166  -5.113
   36    HG2  ARG   7           HG2      ARG   7  -4.616   3.598  -6.635
   37    HG3  ARG   7           HG3      ARG   7  -5.210   2.571  -7.942
   38    HD2  ARG   7           HD2      ARG   7  -6.928   4.170  -6.047
   39    HD3  ARG   7           HD3      ARG   7  -6.531   4.630  -7.702
   40    HE   ARG   7           HE       ARG   7  -7.762   2.045  -7.498
   41   HH11  ARG   7          HH11      ARG   7  -8.336   5.471  -7.719
   42   HH12  ARG   7          HH12      ARG   7  -9.921   5.294  -8.394
   43   HH21  ARG   7          HH21      ARG   7  -9.848   1.798  -8.386
   44   HH22  ARG   7          HH22      ARG   7 -10.782   3.204  -8.772
   45    H    LYS   8           H        LYS   8  -4.831   1.167  -3.084
   46    HA   LYS   8           HA       LYS   8  -4.495  -1.706  -2.760
   47    HB2  LYS   8           HB2      LYS   8  -4.619   0.642  -0.953
   48    HB3  LYS   8           HB3      LYS   8  -5.233  -0.875  -0.307
   49    HG2  LYS   8           HG2      LYS   8  -3.091  -1.949  -0.822
   50    HG3  LYS   8           HG3      LYS   8  -2.478  -0.411  -1.435
   51    HD2  LYS   8           HD2      LYS   8  -3.513  -0.784   1.369
   52    HD3  LYS   8           HD3      LYS   8  -1.815  -0.978   0.927
   53    HE2  LYS   8           HE2      LYS   8  -3.388   1.523   0.353
   54    HE3  LYS   8           HE3      LYS   8  -2.482   1.283   1.846
   55    HZ1  LYS   8           HZ1      LYS   8  -1.254   2.513   0.102
   56    HZ2  LYS   8           HZ2      LYS   8  -1.280   1.125  -0.863
   57    HZ3  LYS   8           HZ3      LYS   8  -0.463   1.111   0.618
   58    H    LYS   9           H        LYS   9  -6.124  -2.989  -1.649
   59    HA   LYS   9           HA       LYS   9  -8.864  -1.973  -1.900
   60    HB2  LYS   9           HB2      LYS   9  -8.105  -4.735  -2.838
   61    HB3  LYS   9           HB3      LYS   9  -9.629  -3.890  -3.077
   62    HG2  LYS   9           HG2      LYS   9  -8.463  -2.270  -4.529
   63    HG3  LYS   9           HG3      LYS   9  -6.982  -3.212  -4.343
   64    HD2  LYS   9           HD2      LYS   9  -9.576  -4.234  -5.501
   65    HD3  LYS   9           HD3      LYS   9  -8.162  -3.741  -6.435
   66    HE2  LYS   9           HE2      LYS   9  -7.739  -5.969  -6.336
   67    HE3  LYS   9           HE3      LYS   9  -6.984  -5.496  -4.815
   68    HZ1  LYS   9           HZ1      LYS   9  -9.385  -7.049  -5.286
   69    HZ2  LYS   9           HZ2      LYS   9  -9.500  -5.915  -4.036
   70    HZ3  LYS   9           HZ3      LYS   9  -8.295  -7.102  -3.992
   71    H    ARG  10           H        ARG  10 -10.393  -2.985  -0.544
   72    HA   ARG  10           HA       ARG  10  -9.497  -3.687   1.996
   73    HB2  ARG  10           HB2      ARG  10 -11.762  -4.159   2.536
   74    HB3  ARG  10           HB3      ARG  10 -11.796  -2.858   1.353
   75    HG2  ARG  10           HG2      ARG  10 -13.403  -4.161   0.451
   76    HG3  ARG  10           HG3      ARG  10 -12.007  -4.927  -0.312
   77    HD2  ARG  10           HD2      ARG  10 -13.005  -6.790   0.521
   78    HD3  ARG  10           HD3      ARG  10 -12.055  -6.344   1.937
   79    HE   ARG  10           HE       ARG  10 -14.567  -5.085   2.064
   80   HH11  ARG  10          HH11      ARG  10 -13.118  -8.241   2.318
   81   HH12  ARG  10          HH12      ARG  10 -14.338  -8.858   3.383
   82   HH21  ARG  10          HH21      ARG  10 -16.177  -5.886   3.467
   83   HH22  ARG  10          HH22      ARG  10 -16.078  -7.518   4.035
   84    H    HIS  11           H        HIS  11  -9.981  -5.629  -0.832
   85    HA   HIS  11           HA       HIS  11 -10.149  -8.155   0.461
   86    HB2  HIS  11           HB2      HIS  11  -9.297  -7.449  -2.355
   87    HB3  HIS  11           HB3      HIS  11  -9.638  -9.080  -1.784
   88    HD1  HIS  11           HD1      HIS  11 -11.968  -9.852  -2.111
   89    HD2  HIS  11           HD2      HIS  11 -11.691  -5.707  -2.125
   90    HE1  HIS  11           HE1      HIS  11 -14.277  -9.027  -2.664
   91    H    GLY  12           H        GLY  12  -7.566  -6.002  -0.148
   92    HA2  GLY  12           HA2      GLY  12  -5.477  -6.334   1.003
   93    HA3  GLY  12           HA3      GLY  12  -5.669  -8.064   0.761
   94    H    GLY  13           H        GLY  13  -6.587  -7.273  -2.096
   95    HA2  GLY  13           HA2      GLY  13  -3.942  -7.556  -3.246
   96    HA3  GLY  13           HA3      GLY  13  -5.471  -7.613  -4.111
   97    H    CYS  14           H        CYS  14  -4.121  -6.307  -5.644
   98    HA   CYS  14           HA       CYS  14  -4.301  -3.451  -4.936
   99    HB2  CYS  14           HB2      CYS  14  -2.275  -4.725  -6.788
  100    HB3  CYS  14           HB3      CYS  14  -2.365  -3.021  -6.353
  101    H    SER  15           H        SER  15  -5.437  -2.180  -6.273
  102    HA   SER  15           HA       SER  15  -6.877  -3.407  -8.448
  103    HB2  SER  15           HB2      SER  15  -8.006  -1.816  -6.955
  104    HB3  SER  15           HB3      SER  15  -6.887  -0.546  -7.451
  105    HG   SER  15           HG       SER  15  -8.694  -1.926  -9.153
  106    H    CYS  16           H        CYS  16  -5.587  -3.819 -10.170
  107    HA   CYS  16           HA       CYS  16  -4.191  -1.514 -11.367
  108    HB2  CYS  16           HB2      CYS  16  -3.413  -4.417 -11.689
  109    HB3  CYS  16           HB3      CYS  16  -2.515  -3.005 -12.239
  110    HN1  NH2  17           H2       NH2  17  -5.459  -2.029 -14.601
  111    HN2  NH2  17           H1       NH2  17  -4.316  -1.250 -13.600
  Start of MODEL   11
    1    H1   TRP   1           H        TRP   1   1.693  -1.079   0.908
    2    HA   TRP   1           HA       TRP   1   2.038   0.458  -1.523
    3    HB2  TRP   1           HB2      TRP   1   3.951  -0.068  -0.015
    4    HB3  TRP   1           HB3      TRP   1   3.757  -1.772  -0.415
    5    HD1  TRP   1           HD1      TRP   1   5.353   1.391  -1.645
    6    HE1  TRP   1           HE1      TRP   1   6.586   0.938  -3.858
    7    HE3  TRP   1           HE3      TRP   1   3.533  -3.281  -2.647
    8    HZ2  TRP   1           HZ2      TRP   1   6.763  -1.125  -5.776
    9    HZ3  TRP   1           HZ3      TRP   1   4.284  -4.425  -4.692
   10    HH2  TRP   1           HH2      TRP   1   5.866  -3.368  -6.222
   11    H    CYS   2           H        CYS   2   1.740  -0.240  -3.567
   12    HA   CYS   2           HA       CYS   2   1.076  -3.074  -3.987
   13    HB2  CYS   2           HB2      CYS   2  -0.562  -0.670  -4.615
   14    HB3  CYS   2           HB3      CYS   2  -0.553  -1.972  -5.800
   15    H    ALA   3           H        ALA   3   1.246  -3.747  -6.262
   16    HA   ALA   3           HA       ALA   3   3.703  -3.009  -7.390
   17    HB1  ALA   3           HB1      ALA   3   3.124  -4.443  -9.235
   18    HB2  ALA   3           HB2      ALA   3   2.584  -5.192  -7.732
   19    HB3  ALA   3           HB3      ALA   3   1.418  -4.393  -8.787
   20    H    SER   4           H        SER   4   4.278  -1.691  -9.070
   21    HA   SER   4           HA       SER   4   4.198   0.173 -10.377
   22    HB2  SER   4           HB2      SER   4   2.837  -1.575 -11.696
   23    HB3  SER   4           HB3      SER   4   1.416  -0.672 -11.171
   24    HG   SER   4           HG       SER   4   2.065   1.054 -12.328
   25    H    GLY   5           H        GLY   5   3.265   0.452  -7.654
   26    HA2  GLY   5           HA2      GLY   5   2.282   2.036  -6.316
   27    HA3  GLY   5           HA3      GLY   5   2.284   3.072  -7.736
   28    H    CYS   6           H        CYS   6   0.600   0.054  -7.875
   29    HA   CYS   6           HA       CYS   6  -1.829   1.184  -8.640
   30    HB2  CYS   6           HB2      CYS   6  -0.973  -1.516  -7.703
   31    HB3  CYS   6           HB3      CYS   6  -2.699  -1.174  -7.785
   32    H    ARG   7           H        ARG   7  -3.941   0.521  -7.366
   33    HA   ARG   7           HA       ARG   7  -3.704   1.816  -4.750
   34    HB2  ARG   7           HB2      ARG   7  -5.870   1.554  -6.776
   35    HB3  ARG   7           HB3      ARG   7  -6.345   1.695  -5.088
   36    HG2  ARG   7           HG2      ARG   7  -4.664   3.727  -5.146
   37    HG3  ARG   7           HG3      ARG   7  -5.046   3.681  -6.868
   38    HD2  ARG   7           HD2      ARG   7  -7.513   3.563  -6.026
   39    HD3  ARG   7           HD3      ARG   7  -6.835   4.229  -4.541
   40    HE   ARG   7           HE       ARG   7  -5.988   5.719  -6.801
   41   HH11  ARG   7          HH11      ARG   7  -8.724   5.174  -4.718
   42   HH12  ARG   7          HH12      ARG   7  -9.400   6.749  -4.976
   43   HH21  ARG   7          HH21      ARG   7  -6.868   7.795  -7.149
   44   HH22  ARG   7          HH22      ARG   7  -8.344   8.239  -6.360
   45    H    LYS   8           H        LYS   8  -4.455   0.899  -2.870
   46    HA   LYS   8           HA       LYS   8  -4.540  -1.974  -2.815
   47    HB2  LYS   8           HB2      LYS   8  -4.443   0.214  -0.811
   48    HB3  LYS   8           HB3      LYS   8  -5.145  -1.310  -0.285
   49    HG2  LYS   8           HG2      LYS   8  -3.123  -2.491  -0.830
   50    HG3  LYS   8           HG3      LYS   8  -2.419  -1.032  -1.531
   51    HD2  LYS   8           HD2      LYS   8  -2.059  -0.057   0.521
   52    HD3  LYS   8           HD3      LYS   8  -3.357  -0.967   1.299
   53    HE2  LYS   8           HE2      LYS   8  -1.965  -3.018   1.071
   54    HE3  LYS   8           HE3      LYS   8  -0.656  -2.010   0.457
   55    HZ1  LYS   8           HZ1      LYS   8  -1.756  -2.174   3.173
   56    HZ2  LYS   8           HZ2      LYS   8  -1.074  -0.714   2.658
   57    HZ3  LYS   8           HZ3      LYS   8  -0.142  -2.126   2.669
   58    H    LYS   9           H        LYS   9  -6.250  -3.244  -1.921
   59    HA   LYS   9           HA       LYS   9  -8.904  -1.977  -2.096
   60    HB2  LYS   9           HB2      LYS   9  -8.346  -4.824  -2.916
   61    HB3  LYS   9           HB3      LYS   9  -9.794  -3.872  -3.220
   62    HG2  LYS   9           HG2      LYS   9  -8.549  -2.441  -4.747
   63    HG3  LYS   9           HG3      LYS   9  -7.080  -3.366  -4.425
   64    HD2  LYS   9           HD2      LYS   9  -9.616  -4.458  -5.645
   65    HD3  LYS   9           HD3      LYS   9  -8.144  -4.048  -6.528
   66    HE2  LYS   9           HE2      LYS   9  -6.921  -5.713  -5.157
   67    HE3  LYS   9           HE3      LYS   9  -8.447  -6.167  -4.402
   68    HZ1  LYS   9           HZ1      LYS   9  -8.723  -7.590  -6.060
   69    HZ2  LYS   9           HZ2      LYS   9  -7.370  -7.001  -6.887
   70    HZ3  LYS   9           HZ3      LYS   9  -8.884  -6.283  -7.123
   71    H    ARG  10           H        ARG  10 -10.623  -3.421  -1.050
   72    HA   ARG  10           HA       ARG  10 -10.091  -3.678   1.666
   73    HB2  ARG  10           HB2      ARG  10 -12.342  -3.703   0.195
   74    HB3  ARG  10           HB3      ARG  10 -12.204  -5.423   0.532
   75    HG2  ARG  10           HG2      ARG  10 -11.862  -4.593   2.996
   76    HG3  ARG  10           HG3      ARG  10 -12.693  -3.157   2.394
   77    HD2  ARG  10           HD2      ARG  10 -14.045  -5.519   1.491
   78    HD3  ARG  10           HD3      ARG  10 -13.829  -5.587   3.240
   79    HE   ARG  10           HE       ARG  10 -15.321  -3.860   3.463
   80   HH11  ARG  10          HH11      ARG  10 -14.353  -4.129   0.130
   81   HH12  ARG  10          HH12      ARG  10 -15.538  -3.002  -0.441
   82   HH21  ARG  10          HH21      ARG  10 -16.885  -2.373   2.724
   83   HH22  ARG  10          HH22      ARG  10 -16.977  -2.002   1.036
   84    H    HIS  11           H        HIS  11 -10.175  -6.174  -0.855
   85    HA   HIS  11           HA       HIS  11  -9.679  -8.367   0.844
   86    HB2  HIS  11           HB2      HIS  11  -9.149  -7.974  -2.105
   87    HB3  HIS  11           HB3      HIS  11  -8.941  -9.513  -1.274
   88    HD1  HIS  11           HD1      HIS  11 -10.797 -10.565  -2.763
   89    HD2  HIS  11           HD2      HIS  11 -12.085  -7.427  -0.365
   90    HE1  HIS  11           HE1      HIS  11 -13.309 -10.670  -2.809
   91    H    GLY  12           H        GLY  12  -7.648  -5.857  -0.275
   92    HA2  GLY  12           HA2      GLY  12  -5.516  -5.524   0.790
   93    HA3  GLY  12           HA3      GLY  12  -5.326  -7.269   0.859
   94    H    GLY  13           H        GLY  13  -6.441  -7.247  -2.026
   95    HA2  GLY  13           HA2      GLY  13  -3.928  -7.430  -3.313
   96    HA3  GLY  13           HA3      GLY  13  -5.495  -7.452  -4.109
   97    H    CYS  14           H        CYS  14  -4.162  -6.263  -5.749
   98    HA   CYS  14           HA       CYS  14  -4.245  -3.377  -5.164
   99    HB2  CYS  14           HB2      CYS  14  -2.255  -4.703  -7.009
  100    HB3  CYS  14           HB3      CYS  14  -2.274  -3.022  -6.487
  101    H    SER  15           H        SER  15  -5.520  -2.244  -6.468
  102    HA   SER  15           HA       SER  15  -6.748  -3.552  -8.744
  103    HB2  SER  15           HB2      SER  15  -8.004  -2.124  -7.050
  104    HB3  SER  15           HB3      SER  15  -7.237  -0.725  -7.802
  105    HG   SER  15           HG       SER  15  -9.221  -1.057  -8.777
  106    H    CYS  16           H        CYS  16  -5.637  -3.573 -10.586
  107    HA   CYS  16           HA       CYS  16  -4.272  -1.095 -11.417
  108    HB2  CYS  16           HB2      CYS  16  -3.583  -3.903 -12.297
  109    HB3  CYS  16           HB3      CYS  16  -2.675  -2.432 -12.630
  110    HN1  NH2  17           H2       NH2  17  -5.336  -1.458 -14.874
  111    HN2  NH2  17           H1       NH2  17  -3.941  -1.163 -13.936
  Start of MODEL   12
    1    H1   TRP   1           H        TRP   1   2.072  -0.792   0.248
    2    HA   TRP   1           HA       TRP   1   2.444   1.049  -1.925
    3    HB2  TRP   1           HB2      TRP   1   4.725   0.989  -0.992
    4    HB3  TRP   1           HB3      TRP   1   4.742  -0.765  -1.155
    5    HD1  TRP   1           HD1      TRP   1   5.386   2.394  -3.079
    6    HE1  TRP   1           HE1      TRP   1   6.115   1.813  -5.478
    7    HE3  TRP   1           HE3      TRP   1   4.288  -2.599  -3.075
    8    HZ2  TRP   1           HZ2      TRP   1   6.212  -0.461  -7.149
    9    HZ3  TRP   1           HZ3      TRP   1   4.728  -3.904  -5.114
   10    HH2  TRP   1           HH2      TRP   1   5.669  -2.856  -7.107
   11    H    CYS   2           H        CYS   2   1.713   0.180  -3.775
   12    HA   CYS   2           HA       CYS   2   1.255  -2.731  -3.817
   13    HB2  CYS   2           HB2      CYS   2  -0.453  -0.433  -4.550
   14    HB3  CYS   2           HB3      CYS   2  -0.491  -1.791  -5.670
   15    H    ALA   3           H        ALA   3   1.015  -3.577  -6.130
   16    HA   ALA   3           HA       ALA   3   3.435  -3.313  -7.475
   17    HB1  ALA   3           HB1      ALA   3   0.846  -4.601  -8.022
   18    HB2  ALA   3           HB2      ALA   3   1.841  -4.255  -9.437
   19    HB3  ALA   3           HB3      ALA   3   2.482  -5.247  -8.129
   20    H    SER   4           H        SER   4   4.225  -1.848  -8.834
   21    HA   SER   4           HA       SER   4   4.397   0.022 -10.123
   22    HB2  SER   4           HB2      SER   4   2.928  -1.677 -11.527
   23    HB3  SER   4           HB3      SER   4   1.679  -0.458 -11.272
   24    HG   SER   4           HG       SER   4   2.728   0.904 -12.526
   25    H    GLY   5           H        GLY   5   3.061   0.224  -7.499
   26    HA2  GLY   5           HA2      GLY   5   2.114   1.899  -6.243
   27    HA3  GLY   5           HA3      GLY   5   2.276   2.938  -7.651
   28    H    CYS   6           H        CYS   6   0.431  -0.060  -7.499
   29    HA   CYS   6           HA       CYS   6  -1.880   1.194  -8.595
   30    HB2  CYS   6           HB2      CYS   6  -1.181  -1.550  -7.649
   31    HB3  CYS   6           HB3      CYS   6  -2.883  -1.144  -7.837
   32    H    ARG   7           H        ARG   7  -4.088   0.602  -7.466
   33    HA   ARG   7           HA       ARG   7  -4.008   1.943  -4.881
   34    HB2  ARG   7           HB2      ARG   7  -6.062   1.479  -6.975
   35    HB3  ARG   7           HB3      ARG   7  -6.635   1.608  -5.318
   36    HG2  ARG   7           HG2      ARG   7  -5.322   3.774  -5.188
   37    HG3  ARG   7           HG3      ARG   7  -5.162   3.656  -6.941
   38    HD2  ARG   7           HD2      ARG   7  -7.767   3.689  -5.421
   39    HD3  ARG   7           HD3      ARG   7  -7.059   5.069  -6.259
   40    HE   ARG   7           HE       ARG   7  -7.233   3.135  -8.172
   41   HH11  ARG   7          HH11      ARG   7  -9.490   4.634  -5.987
   42   HH12  ARG   7          HH12      ARG   7 -10.844   4.447  -7.050
   43   HH21  ARG   7          HH21      ARG   7  -9.008   2.883  -9.581
   44   HH22  ARG   7          HH22      ARG   7 -10.570   3.450  -9.095
   45    H    LYS   8           H        LYS   8  -4.520   1.022  -2.972
   46    HA   LYS   8           HA       LYS   8  -4.558  -1.831  -2.799
   47    HB2  LYS   8           HB2      LYS   8  -4.500   0.442  -0.896
   48    HB3  LYS   8           HB3      LYS   8  -5.173  -1.066  -0.289
   49    HG2  LYS   8           HG2      LYS   8  -3.116  -2.234  -0.892
   50    HG3  LYS   8           HG3      LYS   8  -2.441  -0.724  -1.511
   51    HD2  LYS   8           HD2      LYS   8  -2.162   0.170   0.587
   52    HD3  LYS   8           HD3      LYS   8  -3.458  -0.802   1.290
   53    HE2  LYS   8           HE2      LYS   8  -1.540  -1.759   2.183
   54    HE3  LYS   8           HE3      LYS   8  -1.906  -2.807   0.814
   55    HZ1  LYS   8           HZ1      LYS   8   0.194  -0.734   1.020
   56    HZ2  LYS   8           HZ2      LYS   8  -0.307  -1.349  -0.474
   57    HZ3  LYS   8           HZ3      LYS   8   0.375  -2.382   0.680
   58    H    LYS   9           H        LYS   9  -6.208  -3.115  -1.786
   59    HA   LYS   9           HA       LYS   9  -8.908  -1.955  -1.943
   60    HB2  LYS   9           HB2      LYS   9  -8.272  -4.775  -2.793
   61    HB3  LYS   9           HB3      LYS   9  -9.761  -3.877  -3.051
   62    HG2  LYS   9           HG2      LYS   9  -8.611  -2.392  -4.602
   63    HG3  LYS   9           HG3      LYS   9  -7.104  -3.269  -4.331
   64    HD2  LYS   9           HD2      LYS   9  -9.609  -4.586  -5.358
   65    HD3  LYS   9           HD3      LYS   9  -8.380  -3.892  -6.419
   66    HE2  LYS   9           HE2      LYS   9  -6.734  -5.421  -5.655
   67    HE3  LYS   9           HE3      LYS   9  -7.755  -5.958  -4.321
   68    HZ1  LYS   9           HZ1      LYS   9  -8.511  -6.336  -7.160
   69    HZ2  LYS   9           HZ2      LYS   9  -9.185  -7.076  -5.796
   70    HZ3  LYS   9           HZ3      LYS   9  -7.621  -7.485  -6.294
   71    H    ARG  10           H        ARG  10 -10.546  -3.252  -0.754
   72    HA   ARG  10           HA       ARG  10  -9.760  -3.676   1.901
   73    HB2  ARG  10           HB2      ARG  10 -12.031  -4.656   2.193
   74    HB3  ARG  10           HB3      ARG  10 -12.036  -3.091   1.393
   75    HG2  ARG  10           HG2      ARG  10 -11.903  -5.364  -0.441
   76    HG3  ARG  10           HG3      ARG  10 -13.371  -5.300   0.535
   77    HD2  ARG  10           HD2      ARG  10 -12.443  -2.787  -0.745
   78    HD3  ARG  10           HD3      ARG  10 -13.157  -4.023  -1.781
   79    HE   ARG  10           HE       ARG  10 -14.766  -3.509   0.511
   80   HH11  ARG  10          HH11      ARG  10 -13.911  -2.279  -2.632
   81   HH12  ARG  10          HH12      ARG  10 -15.410  -1.440  -2.856
   82   HH21  ARG  10          HH21      ARG  10 -16.744  -2.409   0.228
   83   HH22  ARG  10          HH22      ARG  10 -17.020  -1.514  -1.228
   84    H    HIS  11           H        HIS  11  -9.878  -5.810  -0.833
   85    HA   HIS  11           HA       HIS  11  -9.794  -8.246   0.670
   86    HB2  HIS  11           HB2      HIS  11  -9.458  -7.519  -2.217
   87    HB3  HIS  11           HB3      HIS  11  -8.979  -9.122  -1.664
   88    HD1  HIS  11           HD1      HIS  11 -10.922 -10.013  -3.238
   89    HD2  HIS  11           HD2      HIS  11 -12.153  -7.771   0.036
   90    HE1  HIS  11           HE1      HIS  11 -13.382 -10.475  -2.994
   91    H    GLY  12           H        GLY  12  -7.493  -5.882  -0.213
   92    HA2  GLY  12           HA2      GLY  12  -5.341  -5.894   0.863
   93    HA3  GLY  12           HA3      GLY  12  -5.346  -7.648   0.757
   94    H    GLY  13           H        GLY  13  -6.445  -7.210  -2.103
   95    HA2  GLY  13           HA2      GLY  13  -3.890  -7.421  -3.382
   96    HA3  GLY  13           HA3      GLY  13  -5.458  -7.444  -4.176
   97    H    CYS  14           H        CYS  14  -4.149  -6.176  -5.774
   98    HA   CYS  14           HA       CYS  14  -4.366  -3.314  -5.128
   99    HB2  CYS  14           HB2      CYS  14  -2.165  -4.498  -6.826
  100    HB3  CYS  14           HB3      CYS  14  -2.321  -2.827  -6.295
  101    H    SER  15           H        SER  15  -5.570  -2.208  -6.524
  102    HA   SER  15           HA       SER  15  -6.611  -3.538  -8.869
  103    HB2  SER  15           HB2      SER  15  -8.170  -2.255  -7.549
  104    HB3  SER  15           HB3      SER  15  -7.159  -0.815  -7.667
  105    HG   SER  15           HG       SER  15  -8.500  -0.444  -9.276
  106    H    CYS  16           H        CYS  16  -5.874  -3.329 -10.874
  107    HA   CYS  16           HA       CYS  16  -4.269  -0.965 -11.563
  108    HB2  CYS  16           HB2      CYS  16  -3.575  -3.759 -12.473
  109    HB3  CYS  16           HB3      CYS  16  -2.628  -2.291 -12.696
  110    HN1  NH2  17           H2       NH2  17  -5.329  -1.107 -14.984
  111    HN2  NH2  17           H1       NH2  17  -4.018  -0.719 -13.961
  Start of MODEL   13
    1    H1   TRP   1           H        TRP   1   2.041  -0.412   1.003
    2    HA   TRP   1           HA       TRP   1   2.108   0.669  -1.554
    3    HB2  TRP   1           HB2      TRP   1   4.114   0.213  -0.185
    4    HB3  TRP   1           HB3      TRP   1   3.887  -1.514  -0.445
    5    HD1  TRP   1           HD1      TRP   1   5.413   1.537  -2.004
    6    HE1  TRP   1           HE1      TRP   1   6.503   0.912  -4.250
    7    HE3  TRP   1           HE3      TRP   1   3.522  -3.183  -2.539
    8    HZ2  TRP   1           HZ2      TRP   1   6.554  -1.290  -6.016
    9    HZ3  TRP   1           HZ3      TRP   1   4.140  -4.482  -4.535
   10    HH2  TRP   1           HH2      TRP   1   5.625  -3.553  -6.236
   11    H    CYS   2           H        CYS   2   1.919  -0.141  -3.609
   12    HA   CYS   2           HA       CYS   2   1.141  -2.954  -3.909
   13    HB2  CYS   2           HB2      CYS   2  -0.478  -0.548  -4.572
   14    HB3  CYS   2           HB3      CYS   2  -0.514  -1.883  -5.720
   15    H    ALA   3           H        ALA   3   1.194  -3.666  -6.202
   16    HA   ALA   3           HA       ALA   3   3.652  -3.026  -7.400
   17    HB1  ALA   3           HB1      ALA   3   2.655  -4.319  -9.379
   18    HB2  ALA   3           HB2      ALA   3   2.849  -5.169  -7.846
   19    HB3  ALA   3           HB3      ALA   3   1.260  -4.575  -8.330
   20    H    SER   4           H        SER   4   4.223  -1.723  -9.078
   21    HA   SER   4           HA       SER   4   4.148   0.116 -10.421
   22    HB2  SER   4           HB2      SER   4   2.705  -1.682 -11.650
   23    HB3  SER   4           HB3      SER   4   1.352  -0.637 -11.214
   24    HG   SER   4           HG       SER   4   3.209  -0.319 -13.156
   25    H    GLY   5           H        GLY   5   3.233   0.452  -7.700
   26    HA2  GLY   5           HA2      GLY   5   2.258   2.062  -6.385
   27    HA3  GLY   5           HA3      GLY   5   2.274   3.077  -7.819
   28    H    CYS   6           H        CYS   6   0.561   0.094  -7.995
   29    HA   CYS   6           HA       CYS   6  -1.855   1.247  -8.746
   30    HB2  CYS   6           HB2      CYS   6  -1.016  -1.460  -7.828
   31    HB3  CYS   6           HB3      CYS   6  -2.741  -1.111  -7.869
   32    H    ARG   7           H        ARG   7  -3.979   0.614  -7.480
   33    HA   ARG   7           HA       ARG   7  -3.769   1.975  -4.908
   34    HB2  ARG   7           HB2      ARG   7  -5.968   1.461  -6.858
   35    HB3  ARG   7           HB3      ARG   7  -6.393   1.717  -5.171
   36    HG2  ARG   7           HG2      ARG   7  -4.551   3.661  -6.448
   37    HG3  ARG   7           HG3      ARG   7  -6.257   3.706  -6.901
   38    HD2  ARG   7           HD2      ARG   7  -5.214   3.819  -4.073
   39    HD3  ARG   7           HD3      ARG   7  -5.698   5.223  -5.024
   40    HE   ARG   7           HE       ARG   7  -7.852   3.493  -5.040
   41   HH11  ARG   7          HH11      ARG   7  -6.001   5.250  -2.673
   42   HH12  ARG   7          HH12      ARG   7  -7.328   5.423  -1.572
   43   HH21  ARG   7          HH21      ARG   7  -9.607   3.713  -3.599
   44   HH22  ARG   7          HH22      ARG   7  -9.378   4.548  -2.101
   45    H    LYS   8           H        LYS   8  -4.762   1.161  -3.004
   46    HA   LYS   8           HA       LYS   8  -4.506  -1.708  -2.746
   47    HB2  LYS   8           HB2      LYS   8  -4.719   0.605  -0.903
   48    HB3  LYS   8           HB3      LYS   8  -5.335  -0.930  -0.304
   49    HG2  LYS   8           HG2      LYS   8  -3.253  -1.942  -0.377
   50    HG3  LYS   8           HG3      LYS   8  -2.609  -0.763  -1.523
   51    HD2  LYS   8           HD2      LYS   8  -1.602  -0.092   0.439
   52    HD3  LYS   8           HD3      LYS   8  -3.042   0.929   0.420
   53    HE2  LYS   8           HE2      LYS   8  -4.181  -0.713   1.872
   54    HE3  LYS   8           HE3      LYS   8  -2.692  -1.654   1.938
   55    HZ1  LYS   8           HZ1      LYS   8  -1.588   0.128   3.042
   56    HZ2  LYS   8           HZ2      LYS   8  -3.033  -0.168   3.869
   57    HZ3  LYS   8           HZ3      LYS   8  -2.908   1.165   2.836
   58    H    LYS   9           H        LYS   9  -6.154  -3.023  -1.690
   59    HA   LYS   9           HA       LYS   9  -8.897  -2.047  -2.077
   60    HB2  LYS   9           HB2      LYS   9  -8.052  -4.829  -2.872
   61    HB3  LYS   9           HB3      LYS   9  -9.574  -4.018  -3.219
   62    HG2  LYS   9           HG2      LYS   9  -8.342  -2.425  -4.660
   63    HG3  LYS   9           HG3      LYS   9  -6.875  -3.367  -4.382
   64    HD2  LYS   9           HD2      LYS   9  -9.421  -4.408  -5.626
   65    HD3  LYS   9           HD3      LYS   9  -7.961  -3.956  -6.507
   66    HE2  LYS   9           HE2      LYS   9  -6.705  -5.689  -5.354
   67    HE3  LYS   9           HE3      LYS   9  -8.129  -6.113  -4.403
   68    HZ1  LYS   9           HZ1      LYS   9  -9.250  -6.662  -6.528
   69    HZ2  LYS   9           HZ2      LYS   9  -7.927  -7.658  -6.186
   70    HZ3  LYS   9           HZ3      LYS   9  -7.782  -6.424  -7.334
   71    H    ARG  10           H        ARG  10 -10.514  -3.250  -0.880
   72    HA   ARG  10           HA       ARG  10  -9.838  -3.687   1.780
   73    HB2  ARG  10           HB2      ARG  10 -12.115  -3.191   1.109
   74    HB3  ARG  10           HB3      ARG  10 -12.216  -4.703   0.215
   75    HG2  ARG  10           HG2      ARG  10 -13.401  -4.884   2.310
   76    HG3  ARG  10           HG3      ARG  10 -11.993  -5.946   2.316
   77    HD2  ARG  10           HD2      ARG  10 -12.036  -4.896   4.434
   78    HD3  ARG  10           HD3      ARG  10 -10.758  -4.102   3.515
   79    HE   ARG  10           HE       ARG  10 -11.936  -2.150   3.654
   80   HH11  ARG  10          HH11      ARG  10 -14.080  -4.808   4.333
   81   HH12  ARG  10          HH12      ARG  10 -15.409  -3.790   4.780
   82   HH21  ARG  10          HH21      ARG  10 -13.678  -0.801   4.242
   83   HH22  ARG  10          HH22      ARG  10 -15.179  -1.512   4.728
   84    H    HIS  11           H        HIS  11 -10.128  -5.972  -0.890
   85    HA   HIS  11           HA       HIS  11  -9.896  -8.334   0.631
   86    HB2  HIS  11           HB2      HIS  11  -9.261  -7.735  -2.259
   87    HB3  HIS  11           HB3      HIS  11  -9.161  -9.352  -1.568
   88    HD1  HIS  11           HD1      HIS  11 -11.042 -10.016  -3.306
   89    HD2  HIS  11           HD2      HIS  11 -12.197  -7.301  -0.381
   90    HE1  HIS  11           HE1      HIS  11 -13.557  -9.998  -3.360
   91    H    GLY  12           H        GLY  12  -7.615  -5.936  -0.204
   92    HA2  GLY  12           HA2      GLY  12  -5.500  -5.891   0.945
   93    HA3  GLY  12           HA3      GLY  12  -5.466  -7.646   0.859
   94    H    GLY  13           H        GLY  13  -6.474  -7.265  -2.040
   95    HA2  GLY  13           HA2      GLY  13  -3.868  -7.423  -3.225
   96    HA3  GLY  13           HA3      GLY  13  -5.406  -7.514  -4.072
   97    H    CYS  14           H        CYS  14  -4.085  -6.231  -5.650
   98    HA   CYS  14           HA       CYS  14  -4.312  -3.362  -5.015
   99    HB2  CYS  14           HB2      CYS  14  -2.254  -4.573  -6.867
  100    HB3  CYS  14           HB3      CYS  14  -2.347  -2.903  -6.320
  101    H    SER  15           H        SER  15  -5.392  -2.121  -6.439
  102    HA   SER  15           HA       SER  15  -6.682  -3.469  -8.674
  103    HB2  SER  15           HB2      SER  15  -7.967  -2.032  -7.050
  104    HB3  SER  15           HB3      SER  15  -7.115  -0.635  -7.708
  105    HG   SER  15           HG       SER  15  -8.881  -0.707  -8.935
  106    H    CYS  16           H        CYS  16  -6.184  -3.169 -10.754
  107    HA   CYS  16           HA       CYS  16  -4.534  -0.864 -11.510
  108    HB2  CYS  16           HB2      CYS  16  -3.967  -3.669 -12.479
  109    HB3  CYS  16           HB3      CYS  16  -3.017  -2.219 -12.788
  110    HN1  NH2  17           H2       NH2  17  -6.105  -0.611 -14.630
  111    HN2  NH2  17           H1       NH2  17  -4.870  -0.085 -13.572
  Start of MODEL   14
    1    H1   TRP   1           H        TRP   1   1.112   0.412   0.710
    2    HA   TRP   1           HA       TRP   1   1.415   1.052  -1.888
    3    HB2  TRP   1           HB2      TRP   1   3.263   0.956  -0.242
    4    HB3  TRP   1           HB3      TRP   1   3.279  -0.799  -0.384
    5    HD1  TRP   1           HD1      TRP   1   4.590   2.321  -2.018
    6    HE1  TRP   1           HE1      TRP   1   6.042   1.689  -4.047
    7    HE3  TRP   1           HE3      TRP   1   3.432  -2.650  -2.329
    8    HZ2  TRP   1           HZ2      TRP   1   6.618  -0.611  -5.578
    9    HZ3  TRP   1           HZ3      TRP   1   4.476  -3.995  -4.105
   10    HH2  TRP   1           HH2      TRP   1   6.036  -2.995  -5.695
   11    H    CYS   2           H        CYS   2   1.459   0.090  -3.860
   12    HA   CYS   2           HA       CYS   2   1.186  -2.826  -4.005
   13    HB2  CYS   2           HB2      CYS   2  -0.795  -0.797  -4.879
   14    HB3  CYS   2           HB3      CYS   2  -0.507  -2.138  -5.983
   15    H    ALA   3           H        ALA   3   1.521  -3.655  -6.228
   16    HA   ALA   3           HA       ALA   3   3.914  -2.788  -7.324
   17    HB1  ALA   3           HB1      ALA   3   2.938  -5.022  -7.680
   18    HB2  ALA   3           HB2      ALA   3   1.738  -4.307  -8.758
   19    HB3  ALA   3           HB3      ALA   3   3.448  -4.260  -9.187
   20    H    SER   4           H        SER   4   4.491  -1.507  -9.045
   21    HA   SER   4           HA       SER   4   4.385   0.316 -10.406
   22    HB2  SER   4           HB2      SER   4   2.951  -1.544 -11.605
   23    HB3  SER   4           HB3      SER   4   1.615  -0.451 -11.245
   24    HG   SER   4           HG       SER   4   3.605  -0.223 -13.100
   25    H    GLY   5           H        GLY   5   3.432   0.642  -7.695
   26    HA2  GLY   5           HA2      GLY   5   2.427   2.253  -6.405
   27    HA3  GLY   5           HA3      GLY   5   2.387   3.240  -7.859
   28    H    CYS   6           H        CYS   6   0.793   0.201  -8.006
   29    HA   CYS   6           HA       CYS   6  -1.679   1.263  -8.713
   30    HB2  CYS   6           HB2      CYS   6  -0.717  -1.418  -7.836
   31    HB3  CYS   6           HB3      CYS   6  -2.456  -1.138  -7.858
   32    H    ARG   7           H        ARG   7  -3.754   0.520  -7.423
   33    HA   ARG   7           HA       ARG   7  -3.515   1.771  -4.783
   34    HB2  ARG   7           HB2      ARG   7  -5.733   1.487  -6.768
   35    HB3  ARG   7           HB3      ARG   7  -6.135   1.692  -5.068
   36    HG2  ARG   7           HG2      ARG   7  -4.426   3.700  -5.284
   37    HG3  ARG   7           HG3      ARG   7  -4.915   3.602  -6.977
   38    HD2  ARG   7           HD2      ARG   7  -6.414   5.126  -6.033
   39    HD3  ARG   7           HD3      ARG   7  -7.314   3.610  -6.091
   40    HE   ARG   7           HE       ARG   7  -6.238   3.574  -3.619
   41   HH11  ARG   7          HH11      ARG   7  -8.074   5.956  -5.372
   42   HH12  ARG   7          HH12      ARG   7  -8.805   6.628  -3.952
   43   HH21  ARG   7          HH21      ARG   7  -7.193   4.451  -1.741
   44   HH22  ARG   7          HH22      ARG   7  -8.302   5.771  -1.888
   45    H    LYS   8           H        LYS   8  -4.481   0.851  -2.941
   46    HA   LYS   8           HA       LYS   8  -4.444  -2.042  -2.935
   47    HB2  LYS   8           HB2      LYS   8  -4.310   0.108  -0.927
   48    HB3  LYS   8           HB3      LYS   8  -5.168  -1.334  -0.400
   49    HG2  LYS   8           HG2      LYS   8  -2.470  -1.551  -1.670
   50    HG3  LYS   8           HG3      LYS   8  -2.635  -1.144   0.039
   51    HD2  LYS   8           HD2      LYS   8  -3.804  -3.189   0.478
   52    HD3  LYS   8           HD3      LYS   8  -3.896  -3.564  -1.245
   53    HE2  LYS   8           HE2      LYS   8  -2.138  -4.832  -0.011
   54    HE3  LYS   8           HE3      LYS   8  -1.531  -3.888  -1.371
   55    HZ1  LYS   8           HZ1      LYS   8  -1.505  -2.812   1.381
   56    HZ2  LYS   8           HZ2      LYS   8  -0.596  -2.313   0.045
   57    HZ3  LYS   8           HZ3      LYS   8  -0.246  -3.784   0.805
   58    H    LYS   9           H        LYS   9  -6.168  -3.238  -1.727
   59    HA   LYS   9           HA       LYS   9  -8.828  -2.045  -2.083
   60    HB2  LYS   9           HB2      LYS   9  -8.231  -4.897  -2.853
   61    HB3  LYS   9           HB3      LYS   9  -9.686  -3.967  -3.187
   62    HG2  LYS   9           HG2      LYS   9  -8.339  -2.496  -4.664
   63    HG3  LYS   9           HG3      LYS   9  -6.964  -3.573  -4.408
   64    HD2  LYS   9           HD2      LYS   9  -9.622  -4.482  -5.499
   65    HD3  LYS   9           HD3      LYS   9  -8.263  -3.992  -6.514
   66    HE2  LYS   9           HE2      LYS   9  -6.935  -5.791  -5.785
   67    HE3  LYS   9           HE3      LYS   9  -7.993  -6.124  -4.414
   68    HZ1  LYS   9           HZ1      LYS   9  -9.737  -6.710  -6.089
   69    HZ2  LYS   9           HZ2      LYS   9  -8.418  -7.767  -6.035
   70    HZ3  LYS   9           HZ3      LYS   9  -8.540  -6.632  -7.283
   71    H    ARG  10           H        ARG  10 -10.536  -3.220  -0.905
   72    HA   ARG  10           HA       ARG  10  -9.898  -3.597   1.776
   73    HB2  ARG  10           HB2      ARG  10 -12.281  -4.823   0.385
   74    HB3  ARG  10           HB3      ARG  10 -12.149  -4.361   2.077
   75    HG2  ARG  10           HG2      ARG  10 -11.823  -1.980   1.228
   76    HG3  ARG  10           HG3      ARG  10 -12.389  -2.590  -0.329
   77    HD2  ARG  10           HD2      ARG  10 -14.504  -3.125   0.524
   78    HD3  ARG  10           HD3      ARG  10 -13.946  -3.046   2.195
   79    HE   ARG  10           HE       ARG  10 -13.738  -0.540   0.821
   80   HH11  ARG  10          HH11      ARG  10 -15.879  -2.647   2.581
   81   HH12  ARG  10          HH12      ARG  10 -16.929  -1.366   3.094
   82   HH21  ARG  10          HH21      ARG  10 -15.112   1.154   1.490
   83   HH22  ARG  10          HH22      ARG  10 -16.491   0.794   2.473
   84    H    HIS  11           H        HIS  11 -10.119  -5.919  -0.854
   85    HA   HIS  11           HA       HIS  11  -9.976  -8.254   0.750
   86    HB2  HIS  11           HB2      HIS  11  -9.146  -7.890  -2.137
   87    HB3  HIS  11           HB3      HIS  11  -9.467  -9.425  -1.336
   88    HD1  HIS  11           HD1      HIS  11 -11.755 -10.303  -1.654
   89    HD2  HIS  11           HD2      HIS  11 -11.598  -6.181  -2.153
   90    HE1  HIS  11           HE1      HIS  11 -14.072  -9.621  -2.354
   91    H    GLY  12           H        GLY  12  -7.656  -5.919  -0.148
   92    HA2  GLY  12           HA2      GLY  12  -5.539  -5.882   0.999
   93    HA3  GLY  12           HA3      GLY  12  -5.535  -7.639   0.956
   94    H    GLY  13           H        GLY  13  -6.541  -7.305  -1.952
   95    HA2  GLY  13           HA2      GLY  13  -3.916  -7.488  -3.123
   96    HA3  GLY  13           HA3      GLY  13  -5.449  -7.670  -3.962
   97    H    CYS  14           H        CYS  14  -4.168  -6.428  -5.604
   98    HA   CYS  14           HA       CYS  14  -4.328  -3.535  -5.063
   99    HB2  CYS  14           HB2      CYS  14  -2.616  -4.855  -7.171
  100    HB3  CYS  14           HB3      CYS  14  -2.548  -3.183  -6.623
  101    H    SER  15           H        SER  15  -5.127  -2.170  -6.710
  102    HA   SER  15           HA       SER  15  -6.827  -3.561  -8.675
  103    HB2  SER  15           HB2      SER  15  -7.802  -2.058  -6.725
  104    HB3  SER  15           HB3      SER  15  -7.392  -0.748  -7.833
  105    HG   SER  15           HG       SER  15  -9.574  -1.950  -7.926
  106    H    CYS  16           H        CYS  16  -5.273  -3.594 -10.312
  107    HA   CYS  16           HA       CYS  16  -4.250  -1.020 -11.257
  108    HB2  CYS  16           HB2      CYS  16  -3.570  -3.800 -12.234
  109    HB3  CYS  16           HB3      CYS  16  -2.729  -2.307 -12.638
  110    HN1  NH2  17           H2       NH2  17  -5.500  -1.291 -14.665
  111    HN2  NH2  17           H1       NH2  17  -4.054  -1.012 -13.798
  Start of MODEL   15
    1    H1   TRP   1           H        TRP   1   1.341   0.034   0.630
    2    HA   TRP   1           HA       TRP   1   1.409   1.170  -1.997
    3    HB2  TRP   1           HB2      TRP   1   3.370   1.227  -0.512
    4    HB3  TRP   1           HB3      TRP   1   3.458  -0.532  -0.561
    5    HD1  TRP   1           HD1      TRP   1   4.533   2.539  -2.432
    6    HE1  TRP   1           HE1      TRP   1   5.871   1.858  -4.523
    7    HE3  TRP   1           HE3      TRP   1   3.548  -2.477  -2.426
    8    HZ2  TRP   1           HZ2      TRP   1   6.435  -0.495  -5.977
    9    HZ3  TRP   1           HZ3      TRP   1   4.525  -3.872  -4.202
   10    HH2  TRP   1           HH2      TRP   1   5.938  -2.900  -5.939
   11    H    CYS   2           H        CYS   2   1.440   0.168  -3.963
   12    HA   CYS   2           HA       CYS   2   1.245  -2.758  -4.030
   13    HB2  CYS   2           HB2      CYS   2  -0.794  -0.792  -4.917
   14    HB3  CYS   2           HB3      CYS   2  -0.504  -2.162  -5.984
   15    H    ALA   3           H        ALA   3   1.557  -3.641  -6.233
   16    HA   ALA   3           HA       ALA   3   3.908  -2.788  -7.400
   17    HB1  ALA   3           HB1      ALA   3   3.307  -4.221  -9.312
   18    HB2  ALA   3           HB2      ALA   3   3.023  -5.012  -7.760
   19    HB3  ALA   3           HB3      ALA   3   1.667  -4.353  -8.674
   20    H    SER   4           H        SER   4   4.466  -1.484  -9.094
   21    HA   SER   4           HA       SER   4   4.344   0.326 -10.471
   22    HB2  SER   4           HB2      SER   4   2.988  -1.489 -11.721
   23    HB3  SER   4           HB3      SER   4   1.570  -0.562 -11.231
   24    HG   SER   4           HG       SER   4   2.108   0.312 -13.141
   25    H    GLY   5           H        GLY   5   3.422   0.657  -7.749
   26    HA2  GLY   5           HA2      GLY   5   2.442   2.277  -6.452
   27    HA3  GLY   5           HA3      GLY   5   2.373   3.256  -7.910
   28    H    CYS   6           H        CYS   6   0.785   0.214  -8.015
   29    HA   CYS   6           HA       CYS   6  -1.702   1.266  -8.683
   30    HB2  CYS   6           HB2      CYS   6  -0.713  -1.409  -7.825
   31    HB3  CYS   6           HB3      CYS   6  -2.452  -1.136  -7.799
   32    H    ARG   7           H        ARG   7  -3.753   0.521  -7.353
   33    HA   ARG   7           HA       ARG   7  -3.455   1.747  -4.704
   34    HB2  ARG   7           HB2      ARG   7  -5.697   1.566  -6.672
   35    HB3  ARG   7           HB3      ARG   7  -6.080   1.746  -4.966
   36    HG2  ARG   7           HG2      ARG   7  -4.152   3.603  -6.301
   37    HG3  ARG   7           HG3      ARG   7  -5.895   3.852  -6.431
   38    HD2  ARG   7           HD2      ARG   7  -4.371   3.605  -3.840
   39    HD3  ARG   7           HD3      ARG   7  -4.858   5.129  -4.581
   40    HE   ARG   7           HE       ARG   7  -7.167   3.661  -4.345
   41   HH11  ARG   7          HH11      ARG   7  -4.713   4.849  -2.180
   42   HH12  ARG   7          HH12      ARG   7  -5.793   5.004  -0.833
   43   HH21  ARG   7          HH21      ARG   7  -8.598   3.861  -2.580
   44   HH22  ARG   7          HH22      ARG   7  -8.002   4.442  -1.061
   45    H    LYS   8           H        LYS   8  -4.373   0.809  -2.863
   46    HA   LYS   8           HA       LYS   8  -4.408  -2.072  -2.892
   47    HB2  LYS   8           HB2      LYS   8  -4.308   0.058  -0.856
   48    HB3  LYS   8           HB3      LYS   8  -5.162  -1.399  -0.363
   49    HG2  LYS   8           HG2      LYS   8  -2.453  -1.597  -1.606
   50    HG3  LYS   8           HG3      LYS   8  -2.625  -1.177   0.100
   51    HD2  LYS   8           HD2      LYS   8  -3.971  -3.230   0.425
   52    HD3  LYS   8           HD3      LYS   8  -3.676  -3.658  -1.262
   53    HE2  LYS   8           HE2      LYS   8  -2.113  -4.862   0.080
   54    HE3  LYS   8           HE3      LYS   8  -1.229  -3.594  -0.768
   55    HZ1  LYS   8           HZ1      LYS   8  -2.012  -2.449   1.594
   56    HZ2  LYS   8           HZ2      LYS   8  -0.459  -2.999   1.211
   57    HZ3  LYS   8           HZ3      LYS   8  -1.536  -4.012   2.032
   58    H    LYS   9           H        LYS   9  -6.162  -3.251  -1.683
   59    HA   LYS   9           HA       LYS   9  -8.807  -2.045  -2.093
   60    HB2  LYS   9           HB2      LYS   9  -8.213  -4.900  -2.859
   61    HB3  LYS   9           HB3      LYS   9  -9.659  -3.962  -3.211
   62    HG2  LYS   9           HG2      LYS   9  -8.297  -2.498  -4.673
   63    HG3  LYS   9           HG3      LYS   9  -6.918  -3.562  -4.388
   64    HD2  LYS   9           HD2      LYS   9  -9.550  -4.466  -5.550
   65    HD3  LYS   9           HD3      LYS   9  -8.139  -4.021  -6.513
   66    HE2  LYS   9           HE2      LYS   9  -7.859  -6.293  -6.382
   67    HE3  LYS   9           HE3      LYS   9  -6.933  -5.772  -4.976
   68    HZ1  LYS   9           HZ1      LYS   9  -9.542  -6.089  -4.117
   69    HZ2  LYS   9           HZ2      LYS   9  -8.219  -7.079  -3.760
   70    HZ3  LYS   9           HZ3      LYS   9  -9.212  -7.441  -5.080
   71    H    ARG  10           H        ARG  10 -10.540  -3.204  -0.941
   72    HA   ARG  10           HA       ARG  10  -9.942  -3.598   1.748
   73    HB2  ARG  10           HB2      ARG  10 -12.187  -3.036   0.909
   74    HB3  ARG  10           HB3      ARG  10 -12.324  -4.642   0.206
   75    HG2  ARG  10           HG2      ARG  10 -12.589  -5.663   2.251
   76    HG3  ARG  10           HG3      ARG  10 -11.790  -4.356   3.126
   77    HD2  ARG  10           HD2      ARG  10 -13.734  -3.347   3.501
   78    HD3  ARG  10           HD3      ARG  10 -14.123  -3.362   1.781
   79    HE   ARG  10           HE       ARG  10 -15.169  -5.094   3.784
   80   HH11  ARG  10          HH11      ARG  10 -14.259  -4.938   0.428
   81   HH12  ARG  10          HH12      ARG  10 -15.352  -6.190  -0.062
   82   HH21  ARG  10          HH21      ARG  10 -16.613  -6.744   3.152
   83   HH22  ARG  10          HH22      ARG  10 -16.691  -7.215   1.488
   84    H    HIS  11           H        HIS  11 -10.103  -5.885  -0.905
   85    HA   HIS  11           HA       HIS  11 -10.045  -8.239   0.685
   86    HB2  HIS  11           HB2      HIS  11  -9.359  -7.715  -2.207
   87    HB3  HIS  11           HB3      HIS  11  -9.286  -9.320  -1.484
   88    HD1  HIS  11           HD1      HIS  11 -11.210 -10.417  -2.659
   89    HD2  HIS  11           HD2      HIS  11 -12.255  -6.785  -0.936
   90    HE1  HIS  11           HE1      HIS  11 -13.709 -10.262  -2.883
   91    H    GLY  12           H        GLY  12  -7.678  -5.928  -0.139
   92    HA2  GLY  12           HA2      GLY  12  -5.586  -5.931   1.051
   93    HA3  GLY  12           HA3      GLY  12  -5.601  -7.688   0.985
   94    H    GLY  13           H        GLY  13  -6.544  -7.308  -1.938
   95    HA2  GLY  13           HA2      GLY  13  -3.887  -7.478  -3.051
   96    HA3  GLY  13           HA3      GLY  13  -5.400  -7.687  -3.920
   97    H    CYS  14           H        CYS  14  -4.107  -6.429  -5.541
   98    HA   CYS  14           HA       CYS  14  -4.302  -3.538  -5.009
   99    HB2  CYS  14           HB2      CYS  14  -2.582  -4.849  -7.115
  100    HB3  CYS  14           HB3      CYS  14  -2.523  -3.176  -6.569
  101    H    SER  15           H        SER  15  -5.011  -2.174  -6.741
  102    HA   SER  15           HA       SER  15  -6.744  -3.578  -8.669
  103    HB2  SER  15           HB2      SER  15  -7.740  -2.075  -6.747
  104    HB3  SER  15           HB3      SER  15  -7.287  -0.755  -7.825
  105    HG   SER  15           HG       SER  15  -9.229  -2.731  -8.137
  106    H    CYS  16           H        CYS  16  -5.365  -3.621 -10.403
  107    HA   CYS  16           HA       CYS  16  -4.292  -1.053 -11.348
  108    HB2  CYS  16           HB2      CYS  16  -3.552  -3.821 -12.306
  109    HB3  CYS  16           HB3      CYS  16  -2.712  -2.315 -12.654
  110    HN1  NH2  17           H2       NH2  17  -5.697  -1.126 -14.615
  111    HN2  NH2  17           H1       NH2  17  -4.362  -0.632 -13.672
  Start of MODEL   16
    1    H1   TRP   1           H        TRP   1   1.607   1.459   0.490
    2    HA   TRP   1           HA       TRP   1   1.702   1.742  -2.193
    3    HB2  TRP   1           HB2      TRP   1   3.656   1.977  -0.697
    4    HB3  TRP   1           HB3      TRP   1   3.754   0.222  -0.569
    5    HD1  TRP   1           HD1      TRP   1   4.808   3.097  -2.742
    6    HE1  TRP   1           HE1      TRP   1   6.153   2.215  -4.752
    7    HE3  TRP   1           HE3      TRP   1   3.861  -1.901  -2.223
    8    HZ2  TRP   1           HZ2      TRP   1   6.735  -0.270  -5.959
    9    HZ3  TRP   1           HZ3      TRP   1   4.849  -3.463  -3.847
   10    HH2  TRP   1           HH2      TRP   1   6.255  -2.662  -5.676
   11    H    CYS   2           H        CYS   2   1.828   0.474  -4.015
   12    HA   CYS   2           HA       CYS   2   1.704  -2.426  -3.738
   13    HB2  CYS   2           HB2      CYS   2  -0.528  -0.701  -4.667
   14    HB3  CYS   2           HB3      CYS   2  -0.229  -2.174  -5.583
   15    H    ALA   3           H        ALA   3   1.803  -3.506  -5.912
   16    HA   ALA   3           HA       ALA   3   4.027  -2.674  -7.343
   17    HB1  ALA   3           HB1      ALA   3   3.480  -4.371  -8.954
   18    HB2  ALA   3           HB2      ALA   3   3.092  -4.970  -7.341
   19    HB3  ALA   3           HB3      ALA   3   1.804  -4.409  -8.407
   20    H    SER   4           H        SER   4   4.369  -1.511  -9.186
   21    HA   SER   4           HA       SER   4   4.028   0.161 -10.697
   22    HB2  SER   4           HB2      SER   4   2.692  -1.889 -11.633
   23    HB3  SER   4           HB3      SER   4   1.278  -0.919 -11.223
   24    HG   SER   4           HG       SER   4   1.649  -0.085 -13.126
   25    H    GLY   5           H        GLY   5   3.244   0.684  -7.962
   26    HA2  GLY   5           HA2      GLY   5   2.200   2.327  -6.749
   27    HA3  GLY   5           HA3      GLY   5   2.013   3.179  -8.275
   28    H    CYS   6           H        CYS   6   0.623   0.028  -7.920
   29    HA   CYS   6           HA       CYS   6  -1.941   0.811  -8.655
   30    HB2  CYS   6           HB2      CYS   6  -0.751  -1.626  -7.434
   31    HB3  CYS   6           HB3      CYS   6  -2.500  -1.458  -7.346
   32    H    ARG   7           H        ARG   7  -3.908   0.183  -7.157
   33    HA   ARG   7           HA       ARG   7  -3.550   1.670  -4.638
   34    HB2  ARG   7           HB2      ARG   7  -5.799   1.589  -6.620
   35    HB3  ARG   7           HB3      ARG   7  -6.125   1.990  -4.939
   36    HG2  ARG   7           HG2      ARG   7  -4.470   3.825  -5.103
   37    HG3  ARG   7           HG3      ARG   7  -4.290   3.457  -6.820
   38    HD2  ARG   7           HD2      ARG   7  -5.829   5.288  -6.566
   39    HD3  ARG   7           HD3      ARG   7  -6.714   3.865  -7.116
   40    HE   ARG   7           HE       ARG   7  -7.880   3.866  -5.142
   41   HH11  ARG   7          HH11      ARG   7  -5.116   5.961  -4.848
   42   HH12  ARG   7          HH12      ARG   7  -5.605   6.609  -3.318
   43   HH21  ARG   7          HH21      ARG   7  -8.536   4.711  -3.127
   44   HH22  ARG   7          HH22      ARG   7  -7.551   5.896  -2.340
   45    H    LYS   8           H        LYS   8  -3.659   0.440  -2.892
   46    HA   LYS   8           HA       LYS   8  -4.350  -2.236  -2.801
   47    HB2  LYS   8           HB2      LYS   8  -3.550  -0.244  -0.948
   48    HB3  LYS   8           HB3      LYS   8  -4.965  -1.039  -0.271
   49    HG2  LYS   8           HG2      LYS   8  -3.650  -3.214  -0.972
   50    HG3  LYS   8           HG3      LYS   8  -2.264  -2.129  -0.843
   51    HD2  LYS   8           HD2      LYS   8  -2.686  -1.693   1.431
   52    HD3  LYS   8           HD3      LYS   8  -4.318  -2.361   1.340
   53    HE2  LYS   8           HE2      LYS   8  -3.192  -4.579   0.775
   54    HE3  LYS   8           HE3      LYS   8  -1.691  -3.821   1.303
   55    HZ1  LYS   8           HZ1      LYS   8  -3.983  -4.694   2.870
   56    HZ2  LYS   8           HZ2      LYS   8  -3.244  -3.255   3.367
   57    HZ3  LYS   8           HZ3      LYS   8  -2.339  -4.680   3.271
   58    H    LYS   9           H        LYS   9  -6.162  -3.328  -1.831
   59    HA   LYS   9           HA       LYS   9  -8.681  -1.810  -1.961
   60    HB2  LYS   9           HB2      LYS   9  -8.389  -4.671  -2.873
   61    HB3  LYS   9           HB3      LYS   9  -9.778  -3.612  -3.082
   62    HG2  LYS   9           HG2      LYS   9  -8.497  -2.216  -4.613
   63    HG3  LYS   9           HG3      LYS   9  -7.088  -3.255  -4.391
   64    HD2  LYS   9           HD2      LYS   9  -9.749  -4.114  -5.530
   65    HD3  LYS   9           HD3      LYS   9  -8.287  -3.784  -6.464
   66    HE2  LYS   9           HE2      LYS   9  -7.140  -5.582  -5.189
   67    HE3  LYS   9           HE3      LYS   9  -8.675  -5.954  -4.404
   68    HZ1  LYS   9           HZ1      LYS   9  -7.745  -6.940  -6.811
   69    HZ2  LYS   9           HZ2      LYS   9  -8.998  -5.879  -7.215
   70    HZ3  LYS   9           HZ3      LYS   9  -9.285  -7.157  -6.144
   71    H    ARG  10           H        ARG  10 -10.519  -3.205  -0.961
   72    HA   ARG  10           HA       ARG  10  -9.890  -3.604   1.757
   73    HB2  ARG  10           HB2      ARG  10 -12.148  -2.993   0.703
   74    HB3  ARG  10           HB3      ARG  10 -12.338  -4.715   0.402
   75    HG2  ARG  10           HG2      ARG  10 -12.132  -5.152   2.801
   76    HG3  ARG  10           HG3      ARG  10 -11.963  -3.421   3.095
   77    HD2  ARG  10           HD2      ARG  10 -14.219  -3.854   3.520
   78    HD3  ARG  10           HD3      ARG  10 -14.208  -3.188   1.888
   79    HE   ARG  10           HE       ARG  10 -14.050  -6.034   1.879
   80   HH11  ARG  10          HH11      ARG  10 -16.242  -3.351   2.217
   81   HH12  ARG  10          HH12      ARG  10 -17.623  -4.243   1.668
   82   HH21  ARG  10          HH21      ARG  10 -15.860  -7.218   1.155
   83   HH22  ARG  10          HH22      ARG  10 -17.404  -6.442   1.065
   84    H    HIS  11           H        HIS  11 -10.183  -5.796  -0.965
   85    HA   HIS  11           HA       HIS  11 -10.180  -8.200   0.552
   86    HB2  HIS  11           HB2      HIS  11  -9.516  -7.628  -2.338
   87    HB3  HIS  11           HB3      HIS  11  -9.537  -9.252  -1.656
   88    HD1  HIS  11           HD1      HIS  11 -11.439  -9.258  -3.731
   89    HD2  HIS  11           HD2      HIS  11 -12.435  -7.487  -0.107
   90    HE1  HIS  11           HE1      HIS  11 -13.952  -9.175  -3.691
   91    H    GLY  12           H        GLY  12  -7.748  -5.952  -0.257
   92    HA2  GLY  12           HA2      GLY  12  -5.630  -6.071   0.880
   93    HA3  GLY  12           HA3      GLY  12  -5.713  -7.822   0.761
   94    H    GLY  13           H        GLY  13  -6.712  -7.295  -2.128
   95    HA2  GLY  13           HA2      GLY  13  -4.161  -7.674  -3.351
   96    HA3  GLY  13           HA3      GLY  13  -5.700  -7.518  -4.184
   97    H    CYS  14           H        CYS  14  -4.230  -6.332  -5.704
   98    HA   CYS  14           HA       CYS  14  -4.126  -3.492  -4.932
   99    HB2  CYS  14           HB2      CYS  14  -2.118  -4.991  -6.629
  100    HB3  CYS  14           HB3      CYS  14  -2.106  -3.254  -6.344
  101    H    SER  15           H        SER  15  -5.620  -2.450  -6.062
  102    HA   SER  15           HA       SER  15  -6.734  -3.443  -8.481
  103    HB2  SER  15           HB2      SER  15  -7.774  -1.862  -6.677
  104    HB3  SER  15           HB3      SER  15  -7.018  -0.580  -7.623
  105    HG   SER  15           HG       SER  15  -8.145  -1.773  -9.460
  106    H    CYS  16           H        CYS  16  -6.127  -3.138 -10.524
  107    HA   CYS  16           HA       CYS  16  -4.296  -0.923 -11.145
  108    HB2  CYS  16           HB2      CYS  16  -4.006  -3.702 -12.295
  109    HB3  CYS  16           HB3      CYS  16  -2.911  -2.339 -12.503
  110    HN1  NH2  17           H2       NH2  17  -5.654  -0.509 -14.396
  111    HN2  NH2  17           H1       NH2  17  -4.289  -0.283 -13.394
  Start of MODEL   17
    1    H1   TRP   1           H        TRP   1   1.642   1.160   0.800
    2    HA   TRP   1           HA       TRP   1   1.793   1.603  -1.870
    3    HB2  TRP   1           HB2      TRP   1   3.727   1.617  -0.315
    4    HB3  TRP   1           HB3      TRP   1   3.720  -0.144  -0.324
    5    HD1  TRP   1           HD1      TRP   1   4.967   2.824  -2.259
    6    HE1  TRP   1           HE1      TRP   1   6.292   2.022  -4.315
    7    HE3  TRP   1           HE3      TRP   1   3.739  -2.137  -2.131
    8    HZ2  TRP   1           HZ2      TRP   1   6.755  -0.394  -5.699
    9    HZ3  TRP   1           HZ3      TRP   1   4.664  -3.626  -3.857
   10    HH2  TRP   1           HH2      TRP   1   6.141  -2.770  -5.604
   11    H    CYS   2           H        CYS   2   1.879   0.421  -3.754
   12    HA   CYS   2           HA       CYS   2   1.507  -2.473  -3.610
   13    HB2  CYS   2           HB2      CYS   2  -0.505  -0.511  -4.555
   14    HB3  CYS   2           HB3      CYS   2  -0.278  -1.939  -5.560
   15    H    ALA   3           H        ALA   3   1.535  -3.427  -5.890
   16    HA   ALA   3           HA       ALA   3   3.934  -2.663  -7.158
   17    HB1  ALA   3           HB1      ALA   3   1.782  -4.373  -8.384
   18    HB2  ALA   3           HB2      ALA   3   3.517  -4.412  -8.702
   19    HB3  ALA   3           HB3      ALA   3   2.893  -4.957  -7.145
   20    H    SER   4           H        SER   4   4.355  -1.536  -9.011
   21    HA   SER   4           HA       SER   4   4.082   0.122 -10.552
   22    HB2  SER   4           HB2      SER   4   2.770  -1.941 -11.506
   23    HB3  SER   4           HB3      SER   4   1.352  -0.943 -11.184
   24    HG   SER   4           HG       SER   4   2.503  -0.796 -13.335
   25    H    GLY   5           H        GLY   5   3.175   0.672  -7.854
   26    HA2  GLY   5           HA2      GLY   5   2.089   2.336  -6.706
   27    HA3  GLY   5           HA3      GLY   5   1.970   3.169  -8.249
   28    H    CYS   6           H        CYS   6   0.557   0.025  -7.894
   29    HA   CYS   6           HA       CYS   6  -1.970   0.797  -8.760
   30    HB2  CYS   6           HB2      CYS   6  -0.831  -1.616  -7.455
   31    HB3  CYS   6           HB3      CYS   6  -2.583  -1.443  -7.410
   32    H    ARG   7           H        ARG   7  -4.001   0.197  -7.333
   33    HA   ARG   7           HA       ARG   7  -3.784   1.832  -4.896
   34    HB2  ARG   7           HB2      ARG   7  -6.110   1.302  -6.745
   35    HB3  ARG   7           HB3      ARG   7  -6.288   2.086  -5.181
   36    HG2  ARG   7           HG2      ARG   7  -4.851   3.900  -5.888
   37    HG3  ARG   7           HG3      ARG   7  -4.565   3.097  -7.433
   38    HD2  ARG   7           HD2      ARG   7  -6.765   3.447  -8.152
   39    HD3  ARG   7           HD3      ARG   7  -7.336   3.790  -6.519
   40    HE   ARG   7           HE       ARG   7  -5.407   5.699  -7.342
   41   HH11  ARG   7          HH11      ARG   7  -8.734   4.771  -7.776
   42   HH12  ARG   7          HH12      ARG   7  -9.264   6.372  -8.173
   43   HH21  ARG   7          HH21      ARG   7  -6.093   7.811  -7.862
   44   HH22  ARG   7          HH22      ARG   7  -7.761   8.101  -8.221
   45    H    LYS   8           H        LYS   8  -3.758   0.705  -3.076
   46    HA   LYS   8           HA       LYS   8  -4.254  -1.992  -2.775
   47    HB2  LYS   8           HB2      LYS   8  -3.676   0.224  -1.065
   48    HB3  LYS   8           HB3      LYS   8  -4.957  -0.729  -0.327
   49    HG2  LYS   8           HG2      LYS   8  -3.323  -2.717  -0.983
   50    HG3  LYS   8           HG3      LYS   8  -2.128  -1.424  -0.847
   51    HD2  LYS   8           HD2      LYS   8  -2.898  -0.934   1.413
   52    HD3  LYS   8           HD3      LYS   8  -4.136  -2.185   1.276
   53    HE2  LYS   8           HE2      LYS   8  -2.410  -3.219   2.462
   54    HE3  LYS   8           HE3      LYS   8  -2.193  -3.787   0.807
   55    HZ1  LYS   8           HZ1      LYS   8  -0.531  -1.976   2.384
   56    HZ2  LYS   8           HZ2      LYS   8  -0.644  -1.672   0.724
   57    HZ3  LYS   8           HZ3      LYS   8  -0.077  -3.168   1.272
   58    H    LYS   9           H        LYS   9  -5.978  -3.185  -1.854
   59    HA   LYS   9           HA       LYS   9  -8.603  -1.856  -1.940
   60    HB2  LYS   9           HB2      LYS   9  -8.152  -4.673  -2.913
   61    HB3  LYS   9           HB3      LYS   9  -9.582  -3.670  -3.120
   62    HG2  LYS   9           HG2      LYS   9  -8.325  -2.188  -4.606
   63    HG3  LYS   9           HG3      LYS   9  -6.898  -3.210  -4.406
   64    HD2  LYS   9           HD2      LYS   9  -9.540  -4.153  -5.517
   65    HD3  LYS   9           HD3      LYS   9  -8.159  -3.658  -6.500
   66    HE2  LYS   9           HE2      LYS   9  -7.764  -5.897  -6.436
   67    HE3  LYS   9           HE3      LYS   9  -6.921  -5.432  -4.959
   68    HZ1  LYS   9           HZ1      LYS   9  -9.155  -7.141  -5.269
   69    HZ2  LYS   9           HZ2      LYS   9  -9.556  -5.855  -4.246
   70    HZ3  LYS   9           HZ3      LYS   9  -8.229  -6.839  -3.885
   71    H    ARG  10           H        ARG  10 -10.239  -2.811  -0.621
   72    HA   ARG  10           HA       ARG  10  -9.397  -3.560   1.927
   73    HB2  ARG  10           HB2      ARG  10 -11.687  -3.892   2.457
   74    HB3  ARG  10           HB3      ARG  10 -11.642  -2.599   1.264
   75    HG2  ARG  10           HG2      ARG  10 -13.317  -3.813   0.361
   76    HG3  ARG  10           HG3      ARG  10 -11.965  -4.668  -0.386
   77    HD2  ARG  10           HD2      ARG  10 -13.089  -6.456   0.456
   78    HD3  ARG  10           HD3      ARG  10 -12.102  -6.066   1.864
   79    HE   ARG  10           HE       ARG  10 -14.374  -4.611   2.224
   80   HH11  ARG  10          HH11      ARG  10 -13.697  -7.978   1.658
   81   HH12  ARG  10          HH12      ARG  10 -15.080  -8.538   2.537
   82   HH21  ARG  10          HH21      ARG  10 -16.198  -5.337   3.385
   83   HH22  ARG  10          HH22      ARG  10 -16.503  -7.035   3.518
   84    H    HIS  11           H        HIS  11  -9.970  -5.469  -0.906
   85    HA   HIS  11           HA       HIS  11 -10.283  -7.982   0.396
   86    HB2  HIS  11           HB2      HIS  11  -9.435  -7.319  -2.431
   87    HB3  HIS  11           HB3      HIS  11  -9.837  -8.935  -1.857
   88    HD1  HIS  11           HD1      HIS  11 -12.209  -9.607  -2.115
   89    HD2  HIS  11           HD2      HIS  11 -11.743  -5.479  -2.196
   90    HE1  HIS  11           HE1      HIS  11 -14.488  -8.683  -2.642
   91    H    GLY  12           H        GLY  12  -7.596  -5.972  -0.205
   92    HA2  GLY  12           HA2      GLY  12  -5.522  -6.435   0.927
   93    HA3  GLY  12           HA3      GLY  12  -5.806  -8.148   0.656
   94    H    GLY  13           H        GLY  13  -6.698  -7.235  -2.181
   95    HA2  GLY  13           HA2      GLY  13  -4.095  -7.674  -3.364
   96    HA3  GLY  13           HA3      GLY  13  -5.628  -7.569  -4.217
   97    H    CYS  14           H        CYS  14  -4.183  -6.326  -5.714
   98    HA   CYS  14           HA       CYS  14  -4.168  -3.488  -4.921
   99    HB2  CYS  14           HB2      CYS  14  -2.131  -4.928  -6.632
  100    HB3  CYS  14           HB3      CYS  14  -2.171  -3.189  -6.364
  101    H    SER  15           H        SER  15  -5.616  -2.403  -6.061
  102    HA   SER  15           HA       SER  15  -6.847  -3.406  -8.402
  103    HB2  SER  15           HB2      SER  15  -7.762  -1.708  -6.679
  104    HB3  SER  15           HB3      SER  15  -6.886  -0.499  -7.618
  105    HG   SER  15           HG       SER  15  -9.264  -1.497  -8.119
  106    H    CYS  16           H        CYS  16  -6.119  -3.408 -10.413
  107    HA   CYS  16           HA       CYS  16  -4.311  -1.256 -11.277
  108    HB2  CYS  16           HB2      CYS  16  -3.987  -4.156 -12.065
  109    HB3  CYS  16           HB3      CYS  16  -2.916  -2.819 -12.471
  110    HN1  NH2  17           H2       NH2  17  -5.581  -1.341 -14.614
  111    HN2  NH2  17           H1       NH2  17  -4.195  -1.045 -13.661
  Start of MODEL   18
    1    H1   TRP   1           H        TRP   1   1.682  -0.386   0.488
    2    HA   TRP   1           HA       TRP   1   1.615   1.301  -1.928
    3    HB2  TRP   1           HB2      TRP   1   3.735   1.518  -0.678
    4    HB3  TRP   1           HB3      TRP   1   3.979  -0.221  -0.809
    5    HD1  TRP   1           HD1      TRP   1   4.492   2.993  -2.686
    6    HE1  TRP   1           HE1      TRP   1   5.614   2.502  -4.950
    7    HE3  TRP   1           HE3      TRP   1   4.034  -2.098  -2.731
    8    HZ2  TRP   1           HZ2      TRP   1   6.224   0.254  -6.543
    9    HZ3  TRP   1           HZ3      TRP   1   4.913  -3.344  -4.662
   10    HH2  TRP   1           HH2      TRP   1   5.984  -2.191  -6.528
   11    H    CYS   2           H        CYS   2   1.222   0.324  -3.822
   12    HA   CYS   2           HA       CYS   2   1.206  -2.624  -3.863
   13    HB2  CYS   2           HB2      CYS   2  -0.782  -0.627  -4.801
   14    HB3  CYS   2           HB3      CYS   2  -0.536  -2.039  -5.824
   15    H    ALA   3           H        ALA   3   1.499  -3.580  -6.031
   16    HA   ALA   3           HA       ALA   3   3.857  -2.771  -7.240
   17    HB1  ALA   3           HB1      ALA   3   3.139  -5.009  -7.534
   18    HB2  ALA   3           HB2      ALA   3   1.621  -4.498  -8.273
   19    HB3  ALA   3           HB3      ALA   3   3.143  -4.271  -9.136
   20    H    SER   4           H        SER   4   4.382  -1.590  -9.043
   21    HA   SER   4           HA       SER   4   4.227   0.147 -10.509
   22    HB2  SER   4           HB2      SER   4   2.983  -1.687 -11.730
   23    HB3  SER   4           HB3      SER   4   1.486  -0.957 -11.148
   24    HG   SER   4           HG       SER   4   1.879   0.829 -12.355
   25    H    GLY   5           H        GLY   5   3.320   0.626  -7.804
   26    HA2  GLY   5           HA2      GLY   5   2.324   2.303  -6.596
   27    HA3  GLY   5           HA3      GLY   5   2.240   3.197  -8.106
   28    H    CYS   6           H        CYS   6   0.684   0.136  -8.032
   29    HA   CYS   6           HA       CYS   6  -1.817   1.126  -8.746
   30    HB2  CYS   6           HB2      CYS   6  -0.802  -1.490  -7.737
   31    HB3  CYS   6           HB3      CYS   6  -2.544  -1.232  -7.744
   32    H    ARG   7           H        ARG   7  -3.853   0.431  -7.369
   33    HA   ARG   7           HA       ARG   7  -3.569   1.824  -4.804
   34    HB2  ARG   7           HB2      ARG   7  -5.990   1.248  -6.518
   35    HB3  ARG   7           HB3      ARG   7  -6.072   1.999  -4.930
   36    HG2  ARG   7           HG2      ARG   7  -4.388   3.167  -7.113
   37    HG3  ARG   7           HG3      ARG   7  -6.114   3.510  -6.994
   38    HD2  ARG   7           HD2      ARG   7  -4.385   3.838  -4.585
   39    HD3  ARG   7           HD3      ARG   7  -4.356   5.075  -5.842
   40    HE   ARG   7           HE       ARG   7  -6.467   4.562  -3.968
   41   HH11  ARG   7          HH11      ARG   7  -5.689   5.856  -7.104
   42   HH12  ARG   7          HH12      ARG   7  -7.067   6.903  -7.160
   43   HH21  ARG   7          HH21      ARG   7  -8.287   5.936  -4.029
   44   HH22  ARG   7          HH22      ARG   7  -8.545   6.948  -5.409
   45    H    LYS   8           H        LYS   8  -4.509   0.998  -2.899
   46    HA   LYS   8           HA       LYS   8  -4.448  -1.891  -2.746
   47    HB2  LYS   8           HB2      LYS   8  -4.404   0.361  -0.813
   48    HB3  LYS   8           HB3      LYS   8  -5.078  -1.159  -0.240
   49    HG2  LYS   8           HG2      LYS   8  -3.064  -2.298  -0.523
   50    HG3  LYS   8           HG3      LYS   8  -2.405  -1.055  -1.589
   51    HD2  LYS   8           HD2      LYS   8  -1.305  -0.772   0.481
   52    HD3  LYS   8           HD3      LYS   8  -2.514   0.511   0.404
   53    HE2  LYS   8           HE2      LYS   8  -3.995  -0.738   1.838
   54    HE3  LYS   8           HE3      LYS   8  -2.903  -2.123   1.821
   55    HZ1  LYS   8           HZ1      LYS   8  -1.657  -1.231   3.414
   56    HZ2  LYS   8           HZ2      LYS   8  -2.921  -0.138   3.674
   57    HZ3  LYS   8           HZ3      LYS   8  -1.623   0.293   2.678
   58    H    LYS   9           H        LYS   9  -6.134  -3.175  -1.838
   59    HA   LYS   9           HA       LYS   9  -8.813  -1.965  -2.014
   60    HB2  LYS   9           HB2      LYS   9  -8.199  -4.794  -2.857
   61    HB3  LYS   9           HB3      LYS   9  -9.671  -3.874  -3.143
   62    HG2  LYS   9           HG2      LYS   9  -8.418  -2.376  -4.639
   63    HG3  LYS   9           HG3      LYS   9  -6.976  -3.361  -4.385
   64    HD2  LYS   9           HD2      LYS   9  -9.576  -4.397  -5.509
   65    HD3  LYS   9           HD3      LYS   9  -8.196  -3.891  -6.487
   66    HE2  LYS   9           HE2      LYS   9  -7.708  -6.101  -6.361
   67    HE3  LYS   9           HE3      LYS   9  -6.949  -5.594  -4.854
   68    HZ1  LYS   9           HZ1      LYS   9  -8.240  -7.091  -3.874
   69    HZ2  LYS   9           HZ2      LYS   9  -9.179  -7.326  -5.260
   70    HZ3  LYS   9           HZ3      LYS   9  -9.556  -6.074  -4.185
   71    H    ARG  10           H        ARG  10 -10.463  -3.027  -0.750
   72    HA   ARG  10           HA       ARG  10  -9.671  -3.598   1.869
   73    HB2  ARG  10           HB2      ARG  10 -11.995  -4.228   2.264
   74    HB3  ARG  10           HB3      ARG  10 -11.907  -2.770   1.285
   75    HG2  ARG  10           HG2      ARG  10 -12.079  -5.325  -0.182
   76    HG3  ARG  10           HG3      ARG  10 -13.513  -4.829   0.720
   77    HD2  ARG  10           HD2      ARG  10 -13.030  -2.517  -0.444
   78    HD3  ARG  10           HD3      ARG  10 -12.183  -3.533  -1.609
   79    HE   ARG  10           HE       ARG  10 -14.682  -4.668  -1.211
   80   HH11  ARG  10          HH11      ARG  10 -13.356  -1.695  -2.442
   81   HH12  ARG  10          HH12      ARG  10 -14.665  -1.415  -3.542
   82   HH21  ARG  10          HH21      ARG  10 -16.411  -4.312  -2.656
   83   HH22  ARG  10          HH22      ARG  10 -16.402  -2.904  -3.663
   84    H    HIS  11           H        HIS  11  -9.864  -5.615  -0.903
   85    HA   HIS  11           HA       HIS  11 -10.108  -8.102   0.514
   86    HB2  HIS  11           HB2      HIS  11  -9.397  -7.426  -2.341
   87    HB3  HIS  11           HB3      HIS  11  -9.462  -9.079  -1.738
   88    HD1  HIS  11           HD1      HIS  11 -11.669 -10.196  -1.902
   89    HD2  HIS  11           HD2      HIS  11 -12.006  -6.057  -2.040
   90    HE1  HIS  11           HE1      HIS  11 -14.099  -9.733  -2.355
   91    H    GLY  12           H        GLY  12  -7.560  -5.941  -0.181
   92    HA2  GLY  12           HA2      GLY  12  -5.466  -6.203   0.976
   93    HA3  GLY  12           HA3      GLY  12  -5.631  -7.943   0.792
   94    H    GLY  13           H        GLY  13  -6.565  -7.266  -2.088
   95    HA2  GLY  13           HA2      GLY  13  -3.933  -7.572  -3.242
   96    HA3  GLY  13           HA3      GLY  13  -5.465  -7.622  -4.103
   97    H    CYS  14           H        CYS  14  -4.103  -6.360  -5.661
   98    HA   CYS  14           HA       CYS  14  -4.237  -3.492  -4.996
   99    HB2  CYS  14           HB2      CYS  14  -2.251  -4.806  -6.862
  100    HB3  CYS  14           HB3      CYS  14  -2.299  -3.106  -6.407
  101    H    SER  15           H        SER  15  -5.559  -2.340  -6.230
  102    HA   SER  15           HA       SER  15  -6.877  -3.564  -8.479
  103    HB2  SER  15           HB2      SER  15  -7.872  -1.930  -6.705
  104    HB3  SER  15           HB3      SER  15  -7.189  -0.672  -7.734
  105    HG   SER  15           HG       SER  15  -9.262  -1.048  -8.431
  106    H    CYS  16           H        CYS  16  -5.873  -3.671 -10.376
  107    HA   CYS  16           HA       CYS  16  -4.431  -1.282 -11.324
  108    HB2  CYS  16           HB2      CYS  16  -3.763  -4.144 -12.033
  109    HB3  CYS  16           HB3      CYS  16  -2.858  -2.702 -12.482
  110    HN1  NH2  17           H2       NH2  17  -5.837  -1.371 -14.547
  111    HN2  NH2  17           H1       NH2  17  -4.605  -0.772 -13.528
  Start of MODEL   19
    1    H1   TRP   1           H        TRP   1   1.744  -1.101   0.706
    2    HA   TRP   1           HA       TRP   1   1.978   0.649  -1.643
    3    HB2  TRP   1           HB2      TRP   1   4.005   0.366  -0.246
    4    HB3  TRP   1           HB3      TRP   1   3.959  -1.367  -0.562
    5    HD1  TRP   1           HD1      TRP   1   5.182   1.871  -2.005
    6    HE1  TRP   1           HE1      TRP   1   6.351   1.432  -4.257
    7    HE3  TRP   1           HE3      TRP   1   3.780  -2.995  -2.714
    8    HZ2  TRP   1           HZ2      TRP   1   6.638  -0.694  -6.091
    9    HZ3  TRP   1           HZ3      TRP   1   4.544  -4.158  -4.743
   10    HH2  TRP   1           HH2      TRP   1   5.943  -3.029  -6.396
   11    H    CYS   2           H        CYS   2   1.596  -0.086  -3.650
   12    HA   CYS   2           HA       CYS   2   1.107  -2.974  -3.982
   13    HB2  CYS   2           HB2      CYS   2  -0.575  -0.649  -4.650
   14    HB3  CYS   2           HB3      CYS   2  -0.423  -1.839  -5.940
   15    H    ALA   3           H        ALA   3   1.140  -3.585  -6.388
   16    HA   ALA   3           HA       ALA   3   3.710  -3.047  -7.407
   17    HB1  ALA   3           HB1      ALA   3   2.628  -5.137  -7.888
   18    HB2  ALA   3           HB2      ALA   3   1.311  -4.311  -8.723
   19    HB3  ALA   3           HB3      ALA   3   2.937  -4.296  -9.407
   20    H    SER   4           H        SER   4   4.454  -1.653  -8.915
   21    HA   SER   4           HA       SER   4   4.552   0.246 -10.170
   22    HB2  SER   4           HB2      SER   4   3.010  -1.489 -11.520
   23    HB3  SER   4           HB3      SER   4   1.833  -0.196 -11.290
   24    HG   SER   4           HG       SER   4   2.836   0.907 -12.759
   25    H    GLY   5           H        GLY   5   3.338   0.423  -7.515
   26    HA2  GLY   5           HA2      GLY   5   2.343   2.028  -6.209
   27    HA3  GLY   5           HA3      GLY   5   2.485   3.103  -7.592
   28    H    CYS   6           H        CYS   6   0.676   0.090  -7.579
   29    HA   CYS   6           HA       CYS   6  -1.660   1.372  -8.579
   30    HB2  CYS   6           HB2      CYS   6  -0.874  -1.400  -7.854
   31    HB3  CYS   6           HB3      CYS   6  -2.598  -1.043  -7.882
   32    H    ARG   7           H        ARG   7  -3.852   0.698  -7.471
   33    HA   ARG   7           HA       ARG   7  -3.749   1.854  -4.793
   34    HB2  ARG   7           HB2      ARG   7  -5.874   1.520  -6.869
   35    HB3  ARG   7           HB3      ARG   7  -6.350   1.715  -5.188
   36    HG2  ARG   7           HG2      ARG   7  -4.459   3.640  -6.482
   37    HG3  ARG   7           HG3      ARG   7  -6.204   3.797  -6.686
   38    HD2  ARG   7           HD2      ARG   7  -6.371   3.724  -4.163
   39    HD3  ARG   7           HD3      ARG   7  -4.617   3.897  -4.131
   40    HE   ARG   7           HE       ARG   7  -4.861   6.110  -4.663
   41   HH11  ARG   7          HH11      ARG   7  -7.851   4.445  -5.305
   42   HH12  ARG   7          HH12      ARG   7  -8.740   5.897  -5.628
   43   HH21  ARG   7          HH21      ARG   7  -6.021   8.028  -5.087
   44   HH22  ARG   7          HH22      ARG   7  -7.699   7.933  -5.505
   45    H    LYS   8           H        LYS   8  -4.414   0.828  -2.963
   46    HA   LYS   8           HA       LYS   8  -4.429  -2.032  -2.989
   47    HB2  LYS   8           HB2      LYS   8  -4.438   0.106  -0.951
   48    HB3  LYS   8           HB3      LYS   8  -5.206  -1.400  -0.466
   49    HG2  LYS   8           HG2      LYS   8  -2.503  -1.475  -1.722
   50    HG3  LYS   8           HG3      LYS   8  -2.669  -1.008  -0.028
   51    HD2  LYS   8           HD2      LYS   8  -4.153  -3.172   0.091
   52    HD3  LYS   8           HD3      LYS   8  -3.232  -3.623  -1.346
   53    HE2  LYS   8           HE2      LYS   8  -1.939  -2.715   1.216
   54    HE3  LYS   8           HE3      LYS   8  -2.302  -4.407   0.873
   55    HZ1  LYS   8           HZ1      LYS   8  -0.655  -2.711  -0.916
   56    HZ2  LYS   8           HZ2      LYS   8  -0.838  -4.391  -0.965
   57    HZ3  LYS   8           HZ3      LYS   8   0.005  -3.670   0.313
   58    H    LYS   9           H        LYS   9  -6.152  -3.242  -1.721
   59    HA   LYS   9           HA       LYS   9  -8.834  -2.148  -2.203
   60    HB2  LYS   9           HB2      LYS   9  -8.085  -4.994  -2.873
   61    HB3  LYS   9           HB3      LYS   9  -9.603  -4.177  -3.215
   62    HG2  LYS   9           HG2      LYS   9  -8.306  -2.622  -4.707
   63    HG3  LYS   9           HG3      LYS   9  -6.928  -3.704  -4.498
   64    HD2  LYS   9           HD2      LYS   9  -9.625  -4.484  -5.605
   65    HD3  LYS   9           HD3      LYS   9  -8.167  -4.196  -6.557
   66    HE2  LYS   9           HE2      LYS   9  -8.040  -6.464  -6.361
   67    HE3  LYS   9           HE3      LYS   9  -7.169  -6.001  -4.900
   68    HZ1  LYS   9           HZ1      LYS   9  -9.896  -6.109  -4.293
   69    HZ2  LYS   9           HZ2      LYS   9  -8.657  -7.105  -3.715
   70    HZ3  LYS   9           HZ3      LYS   9  -9.502  -7.534  -5.116
   71    H    ARG  10           H        ARG  10 -10.541  -3.412  -1.063
   72    HA   ARG  10           HA       ARG  10 -10.004  -3.620   1.658
   73    HB2  ARG  10           HB2      ARG  10 -12.210  -4.792   1.797
   74    HB3  ARG  10           HB3      ARG  10 -12.255  -3.276   0.907
   75    HG2  ARG  10           HG2      ARG  10 -11.740  -5.190  -1.031
   76    HG3  ARG  10           HG3      ARG  10 -12.919  -5.948   0.040
   77    HD2  ARG  10           HD2      ARG  10 -14.492  -4.238  -0.305
   78    HD3  ARG  10           HD3      ARG  10 -13.283  -3.152  -0.992
   79    HE   ARG  10           HE       ARG  10 -14.734  -5.231  -2.361
   80   HH11  ARG  10          HH11      ARG  10 -11.905  -3.203  -2.370
   81   HH12  ARG  10          HH12      ARG  10 -11.663  -3.324  -4.081
   82   HH21  ARG  10          HH21      ARG  10 -14.426  -5.399  -4.615
   83   HH22  ARG  10          HH22      ARG  10 -13.099  -4.573  -5.357
   84    H    HIS  11           H        HIS  11 -10.010  -6.090  -0.854
   85    HA   HIS  11           HA       HIS  11  -9.716  -8.303   0.912
   86    HB2  HIS  11           HB2      HIS  11  -9.118  -8.006  -2.037
   87    HB3  HIS  11           HB3      HIS  11  -9.043  -9.534  -1.164
   88    HD1  HIS  11           HD1      HIS  11 -11.199 -10.783  -0.850
   89    HD2  HIS  11           HD2      HIS  11 -11.782  -6.902  -2.217
   90    HE1  HIS  11           HE1      HIS  11 -13.644 -10.630  -1.419
   91    H    GLY  12           H        GLY  12  -7.584  -5.878  -0.133
   92    HA2  GLY  12           HA2      GLY  12  -5.450  -5.659   0.957
   93    HA3  GLY  12           HA3      GLY  12  -5.322  -7.413   0.964
   94    H    GLY  13           H        GLY  13  -6.414  -7.247  -1.924
   95    HA2  GLY  13           HA2      GLY  13  -3.826  -7.319  -3.163
   96    HA3  GLY  13           HA3      GLY  13  -5.372  -7.562  -3.962
   97    H    CYS  14           H        CYS  14  -4.176  -6.296  -5.648
   98    HA   CYS  14           HA       CYS  14  -4.458  -3.406  -5.143
   99    HB2  CYS  14           HB2      CYS  14  -2.662  -4.666  -7.218
  100    HB3  CYS  14           HB3      CYS  14  -2.685  -2.985  -6.695
  101    H    SER  15           H        SER  15  -5.314  -2.109  -6.816
  102    HA   SER  15           HA       SER  15  -6.897  -3.614  -8.796
  103    HB2  SER  15           HB2      SER  15  -8.025  -2.224  -6.857
  104    HB3  SER  15           HB3      SER  15  -7.681  -0.860  -7.921
  105    HG   SER  15           HG       SER  15  -9.058  -1.627  -9.387
  106    H    CYS  16           H        CYS  16  -5.149  -3.493 -10.300
  107    HA   CYS  16           HA       CYS  16  -4.305  -0.872 -11.216
  108    HB2  CYS  16           HB2      CYS  16  -3.590  -3.589 -12.334
  109    HB3  CYS  16           HB3      CYS  16  -2.770  -2.065 -12.660
  110    HN1  NH2  17           H2       NH2  17  -5.603  -0.962 -14.602
  111    HN2  NH2  17           H1       NH2  17  -4.165  -0.673 -13.725
  Start of MODEL   20
    1    H1   TRP   1           H        TRP   1   1.477   0.442   0.341
    2    HA   TRP   1           HA       TRP   1   1.264   1.802  -2.265
    3    HB2  TRP   1           HB2      TRP   1   3.351   2.369  -1.084
    4    HB3  TRP   1           HB3      TRP   1   3.748   0.657  -0.972
    5    HD1  TRP   1           HD1      TRP   1   4.007   3.612  -3.272
    6    HE1  TRP   1           HE1      TRP   1   5.175   2.911  -5.456
    7    HE3  TRP   1           HE3      TRP   1   3.955  -1.460  -2.628
    8    HZ2  TRP   1           HZ2      TRP   1   5.969   0.523  -6.736
    9    HZ3  TRP   1           HZ3      TRP   1   4.938  -2.881  -4.380
   10    HH2  TRP   1           HH2      TRP   1   5.923  -1.908  -6.390
   11    H    CYS   2           H        CYS   2   1.013   0.567  -4.036
   12    HA   CYS   2           HA       CYS   2   1.225  -2.353  -3.700
   13    HB2  CYS   2           HB2      CYS   2  -0.890  -0.656  -4.910
   14    HB3  CYS   2           HB3      CYS   2  -0.513  -2.162  -5.740
   15    H    ALA   3           H        ALA   3   1.400  -3.480  -5.906
   16    HA   ALA   3           HA       ALA   3   3.813  -2.795  -7.103
   17    HB1  ALA   3           HB1      ALA   3   1.555  -4.489  -8.161
   18    HB2  ALA   3           HB2      ALA   3   3.158  -4.397  -8.893
   19    HB3  ALA   3           HB3      ALA   3   2.969  -5.034  -7.259
   20    H    SER   4           H        SER   4   4.402  -1.657  -8.896
   21    HA   SER   4           HA       SER   4   4.309  -0.005 -10.458
   22    HB2  SER   4           HB2      SER   4   2.984  -1.927 -11.552
   23    HB3  SER   4           HB3      SER   4   1.546  -0.982 -11.161
   24    HG   SER   4           HG       SER   4   2.212  -0.424 -13.215
   25    H    GLY   5           H        GLY   5   3.274   0.554  -7.781
   26    HA2  GLY   5           HA2      GLY   5   2.306   2.324  -6.684
   27    HA3  GLY   5           HA3      GLY   5   2.255   3.144  -8.236
   28    H    CYS   6           H        CYS   6   0.675   0.102  -8.047
   29    HA   CYS   6           HA       CYS   6  -1.813   1.105  -8.827
   30    HB2  CYS   6           HB2      CYS   6  -0.844  -1.509  -7.757
   31    HB3  CYS   6           HB3      CYS   6  -2.580  -1.230  -7.841
   32    H    ARG   7           H        ARG   7  -3.868   0.439  -7.466
   33    HA   ARG   7           HA       ARG   7  -3.632   1.910  -4.949
   34    HB2  ARG   7           HB2      ARG   7  -5.869   1.309  -6.836
   35    HB3  ARG   7           HB3      ARG   7  -6.252   1.638  -5.152
   36    HG2  ARG   7           HG2      ARG   7  -4.433   3.542  -6.487
   37    HG3  ARG   7           HG3      ARG   7  -6.114   3.536  -7.021
   38    HD2  ARG   7           HD2      ARG   7  -6.912   4.137  -4.917
   39    HD3  ARG   7           HD3      ARG   7  -5.434   3.621  -4.106
   40    HE   ARG   7           HE       ARG   7  -4.765   5.711  -5.818
   41   HH11  ARG   7          HH11      ARG   7  -6.702   5.178  -2.975
   42   HH12  ARG   7          HH12      ARG   7  -6.508   6.795  -2.382
   43   HH21  ARG   7          HH21      ARG   7  -4.504   7.842  -5.048
   44   HH22  ARG   7          HH22      ARG   7  -5.259   8.309  -3.562
   45    H    LYS   8           H        LYS   8  -4.796   1.150  -3.050
   46    HA   LYS   8           HA       LYS   8  -4.426  -1.710  -2.692
   47    HB2  LYS   8           HB2      LYS   8  -4.673   0.654  -0.920
   48    HB3  LYS   8           HB3      LYS   8  -5.284  -0.866  -0.278
   49    HG2  LYS   8           HG2      LYS   8  -3.088  -1.901  -0.743
   50    HG3  LYS   8           HG3      LYS   8  -2.492  -0.325  -1.268
   51    HD2  LYS   8           HD2      LYS   8  -3.637  -0.877   1.467
   52    HD3  LYS   8           HD3      LYS   8  -1.913  -0.912   1.090
   53    HE2  LYS   8           HE2      LYS   8  -2.375   1.477   0.136
   54    HE3  LYS   8           HE3      LYS   8  -3.795   1.407   1.179
   55    HZ1  LYS   8           HZ1      LYS   8  -2.051   2.409   2.405
   56    HZ2  LYS   8           HZ2      LYS   8  -0.952   1.190   1.993
   57    HZ3  LYS   8           HZ3      LYS   8  -2.244   0.848   3.031
   58    H    LYS   9           H        LYS   9  -6.066  -2.994  -1.550
   59    HA   LYS   9           HA       LYS   9  -8.818  -2.078  -2.001
   60    HB2  LYS   9           HB2      LYS   9  -7.813  -4.825  -2.764
   61    HB3  LYS   9           HB3      LYS   9  -9.446  -4.208  -2.978
   62    HG2  LYS   9           HG2      LYS   9  -8.325  -2.396  -4.435
   63    HG3  LYS   9           HG3      LYS   9  -6.957  -3.512  -4.477
   64    HD2  LYS   9           HD2      LYS   9  -9.785  -4.157  -5.313
   65    HD3  LYS   9           HD3      LYS   9  -8.441  -3.819  -6.406
   66    HE2  LYS   9           HE2      LYS   9  -7.238  -5.762  -5.407
   67    HE3  LYS   9           HE3      LYS   9  -8.696  -6.132  -4.488
   68    HZ1  LYS   9           HZ1      LYS   9  -9.895  -6.432  -6.551
   69    HZ2  LYS   9           HZ2      LYS   9  -8.540  -7.445  -6.521
   70    HZ3  LYS   9           HZ3      LYS   9  -8.520  -6.032  -7.452
   71    H    ARG  10           H        ARG  10 -10.419  -3.210  -0.744
   72    HA   ARG  10           HA       ARG  10  -9.614  -3.671   1.918
   73    HB2  ARG  10           HB2      ARG  10 -11.963  -4.415   2.263
   74    HB3  ARG  10           HB3      ARG  10 -11.834  -2.861   1.450
   75    HG2  ARG  10           HG2      ARG  10 -11.968  -5.156  -0.361
   76    HG3  ARG  10           HG3      ARG  10 -13.403  -4.926   0.641
   77    HD2  ARG  10           HD2      ARG  10 -12.255  -2.527  -0.666
   78    HD3  ARG  10           HD3      ARG  10 -13.068  -3.698  -1.703
   79    HE   ARG  10           HE       ARG  10 -14.766  -3.234   0.425
   80   HH11  ARG  10          HH11      ARG  10 -13.317  -1.379  -2.140
   81   HH12  ARG  10          HH12      ARG  10 -14.625  -0.247  -2.235
   82   HH21  ARG  10          HH21      ARG  10 -16.493  -1.749   0.309
   83   HH22  ARG  10          HH22      ARG  10 -16.430  -0.458  -0.841
   84    H    HIS  11           H        HIS  11  -9.962  -5.765  -0.819
   85    HA   HIS  11           HA       HIS  11 -10.107  -8.208   0.672
   86    HB2  HIS  11           HB2      HIS  11  -9.786  -7.479  -2.207
   87    HB3  HIS  11           HB3      HIS  11  -9.362  -9.111  -1.702
   88    HD1  HIS  11           HD1      HIS  11 -11.309 -10.249  -2.882
   89    HD2  HIS  11           HD2      HIS  11 -12.501  -7.290  -0.220
   90    HE1  HIS  11           HE1      HIS  11 -13.799 -10.513  -2.656
   91    H    GLY  12           H        GLY  12  -7.609  -6.054  -0.118
   92    HA2  GLY  12           HA2      GLY  12  -5.466  -6.319   0.944
   93    HA3  GLY  12           HA3      GLY  12  -5.625  -8.056   0.735
   94    H    GLY  13           H        GLY  13  -6.687  -7.328  -2.089
   95    HA2  GLY  13           HA2      GLY  13  -4.141  -7.668  -3.382
   96    HA3  GLY  13           HA3      GLY  13  -5.708  -7.571  -4.171
   97    H    CYS  14           H        CYS  14  -4.334  -6.309  -5.719
   98    HA   CYS  14           HA       CYS  14  -4.351  -3.472  -4.930
   99    HB2  CYS  14           HB2      CYS  14  -2.302  -4.782  -6.730
  100    HB3  CYS  14           HB3      CYS  14  -2.341  -3.089  -6.249
  101    H    SER  15           H        SER  15  -5.556  -2.228  -6.199
  102    HA   SER  15           HA       SER  15  -6.785  -3.347  -8.557
  103    HB2  SER  15           HB2      SER  15  -8.037  -1.928  -6.922
  104    HB3  SER  15           HB3      SER  15  -7.061  -0.551  -7.432
  105    HG   SER  15           HG       SER  15  -9.275  -1.403  -8.528
  106    H    CYS  16           H        CYS  16  -5.951  -3.224 -10.522
  107    HA   CYS  16           HA       CYS  16  -4.151  -0.976 -11.152
  108    HB2  CYS  16           HB2      CYS  16  -4.053  -3.811 -12.207
  109    HB3  CYS  16           HB3      CYS  16  -3.006  -2.498 -12.735
  110    HN1  NH2  17           H2       NH2  17  -5.387  -0.904 -14.623
  111    HN2  NH2  17           H1       NH2  17  -3.909  -1.089 -13.788