*HEADER    TRANSCRIPTION                           08-NOV-19   6UXS              
*TITLE     SOLUTION STRUCTURE OF THE CYCLIC PEPTIDE 3.1B                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYCLIC PEPTIDE 3.1B;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    BROMODOMAIN, BET, CYCLIC PEPTIDE, INHIBITOR, RAPID, TRANSCRIPTION     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.D.SOLOMON                                                           
*REVDAT   2   15-NOV-23 6UXS    1                                                
*REVDAT   1   18-NOV-20 6UXS    0                                                
# Restraints file 1: final.upl
  7 ALYS H       7 ALYS HB2     3.48  #peak 14 #plist 1 #SUP 0.94 #QF 0.94
  7 ALYS H       7 ALYS HB3     3.48  #peak 15 #plist 1 #SUP 0.94 #QF 0.94
  7 ALYS QG      7 ALYS HZ      4.72  #peak 16 #plist 1 #SUP 0.90 #QF 0.90
  7 ALYS H       7 ALYS QG      4.31  #peak 18 #plist 1 #SUP 0.99 #QF 0.99
  7 ALYS HA      7 ALYS HD2     4.77  #peak 40 #plist 1 #SUP 0.99 #QF 0.99
  7 ALYS HA      7 ALYS HD3     4.77  #peak 41 #plist 1 #SUP 0.88 #QF 0.88
  7 ALYS HA      7 ALYS QG      4.06  #peak 42 #plist 1 #SUP 0.98 #QF 0.98
  8 THR  HA      8 THR  QG2     3.70  #peak 43 #plist 1 #SUP 1.00 #QF 0.99
  8 THR  H       8 THR  QG2     4.52  #peak 47 #plist 1 #SUP 0.98 #QF 0.94
  8 THR  H       8 THR  HG1     4.83  #peak 47 #plist 1 #SUP 0.98 #QF 0.94
  8 THR  H       8 THR  HB      3.65  #peak 48 #plist 1 #SUP 0.86 #QF 0.86
  7 ALYS HA      8 THR  H       3.07  #peak 50 #plist 1 #SUP 0.84 #QF 0.84
  7 ALYS HB2     8 THR  H       4.52  #peak 51 #plist 1 #SUP 0.99 #QF 0.99
  7 ALYS HB3     8 THR  H       4.52  #peak 52 #plist 1 #SUP 1.00
  7 ALYS QG      8 THR  H       4.75  #peak 54 #plist 1 #SUP 1.00
  9 TRP  HB3     9 TRP  HE3     3.22  #peak 67 #plist 1 #SUP 0.82 #QF 0.82
  9 TRP  HB2     9 TRP  HE3     4.14  #peak 68 #plist 1 #SUP 1.00
  9 TRP  HB2     9 TRP  HD1     3.10  #peak 70 #plist 1 #SUP 0.85 #QF 0.85
  1 TRP  HZ3     9 TRP  HB3     5.50  #peak 71 #plist 1 #SUP 0.97 #QF 0.28
  9 TRP  HB3     9 TRP  HZ3     5.50  #peak 71 #plist 1 #SUP 0.97 #QF 0.28
  1 TRP  HZ3     9 TRP  HB2     5.50  #peak 72 #plist 1 #SUP 0.63 #QF 0.36
  5 ALYS QE      9 TRP  HZ3     5.50  #peak 72 #plist 1 #SUP 0.63 #QF 0.36
  8 THR  HB      9 TRP  H       5.50  #peak 81 #plist 1 #SUP 0.85 #QF 0.85
 10 ARG  H      10 ARG  QB      3.35  #peak 84 #plist 1 #SUP 0.97 #QF 0.97
 10 ARG  H      10 ARG  QD      4.69  #peak 85 #plist 1 #SUP 0.94 #QF 0.94
  9 TRP  HB3    10 ARG  H       4.14  #peak 87 #plist 1 #SUP 0.95 #QF 0.95
  9 TRP  HB2    10 ARG  H       3.47  #peak 88 #plist 1 #SUP 0.86 #QF 0.86
 11 THR  HA     11 THR  QG2     2.66  #peak 91 #plist 1 #SUP 0.73 #QF 0.73
 11 THR  H      11 THR  HG1     3.05  #peak 93 #plist 1 #SUP 0.63 #QF 0.63
 10 ARG  HA     11 THR  H       3.00  #peak 94 #plist 1 #SUP 0.85 #QF 0.85
 12 ALYS H      12 ALYS QB      4.13  #peak 98 #plist 1 #SUP 0.96 #QF 0.96
 12 ALYS H      12 ALYS QG      5.04  #peak 100 #plist 1 #SUP 0.98 #QF 0.98
 11 THR  HB     12 ALYS H       4.39  #peak 103 #plist 1 #SUP 0.92 #QF 0.53
 12 ALYS QG     12 ALYS HZ      4.66  #peak 104 #plist 1 #SUP 0.95 #QF 0.95
 12 ALYS HA     12 ALYS QE      5.50  #peak 106 #plist 1 #SUP 0.95 #QF 0.95
 12 ALYS HA     12 ALYS QD      4.11  #peak 108 #plist 1 #SUP 0.94 #QF 0.94
 12 ALYS QG     12 ALYS QD      2.83  #peak 112 #plist 1 #SUP 0.90 #QF 0.48
 12 ALYS HA     12 ALYS QG      3.62  #peak 115 #plist 1 #SUP 0.99 #QF 0.99
 13 GLN  H      13 GLN  HG2     4.87  #peak 116 #plist 1 #SUP 0.98 #QF 0.98
 13 GLN  H      13 GLN  HG3     4.87  #peak 117 #plist 1 #SUP 0.99 #QF 0.99
 13 GLN  H      13 GLN  HB3     3.95  #peak 118 #plist 1 #SUP 0.94 #QF 0.94
 13 GLN  H      13 GLN  HB2     3.95  #peak 119 #plist 1 #SUP 0.98 #QF 0.98
 13 GLN  HA     13 GLN  HG2     4.08  #peak 122 #plist 1 #SUP 0.96 #QF 0.96
 13 GLN  HA     13 GLN  HG3     4.08  #peak 123 #plist 1 #SUP 0.91 #QF 0.91
  4 ILE  HB      4 ILE  QD1     3.42  #peak 155 #plist 1 #SUP 0.99 #QF 0.99
  4 ILE  QG2     4 ILE  HG12    3.35  #peak 159 #plist 1 #SUP 1.00
  4 ILE  HA      4 ILE  HG12    4.01  #peak 160 #plist 1 #SUP 0.91 #QF 0.91
  4 ILE  HA      4 ILE  QG2     3.19  #peak 161 #plist 1 #SUP 0.99 #QF 0.99
  4 ILE  HA      4 ILE  QD1     3.60  #peak 162 #plist 1 #SUP 0.98 #QF 0.98
  4 ILE  H       4 ILE  HB      3.76  #peak 167 #plist 1 #SUP 0.97 #QF 0.97
  4 ILE  H       4 ILE  HG12    4.30  #peak 168 #plist 1 #SUP 0.99 #QF 0.99
  4 ILE  H       4 ILE  HG13    4.30  #peak 169 #plist 1 #SUP 0.97 #QF 0.47
  4 ILE  H       4 ILE  QG2     3.99  #peak 170 #plist 1 #SUP 0.95 #QF 0.95
  4 ILE  H       4 ILE  QD1     4.97  #peak 171 #plist 1 #SUP 0.93 #QF 0.33
 10 ARG  HA     10 ARG  QD      4.10  #peak 172 #plist 1 #SUP 0.99 #QF 0.99
  3 THR  H       3 THR  HB      3.33  #peak 174 #plist 1 #SUP 0.87 #QF 0.87
  3 THR  HA      3 THR  QG2     3.40  #peak 177 #plist 1 #SUP 0.92 #QF 0.88
  3 THR  HA      8 THR  QG2     5.05  #peak 178 #plist 1 #SUP 0.65 #QF 0.26
  3 THR  QG2     8 THR  HA      4.43  #peak 179 #plist 1 #SUP 0.76 #QF 0.76
  3 THR  H       3 THR  HG1     3.59  #peak 181 #plist 1 #SUP 0.79 #QF 0.79
  2 LYS  HA      2 LYS  QD      4.72  #peak 183 #plist 1 #SUP 0.97 #QF 0.97
  2 LYS  H      11 THR  HG1     3.57  #peak 186 #plist 1 #SUP 0.64 #QF 0.64
  3 THR  HB      4 ILE  H       4.46  #peak 190 #plist 1 #SUP 0.93 #QF 0.93
  2 LYS  HA      3 THR  H       2.78  #peak 191 #plist 1 #SUP 0.63 #QF 0.63
  1 TRP  H       1 TRP  HB2     3.59  #peak 199 #plist 1 #SUP 0.94 #QF 0.94
  1 TRP  H       1 TRP  HB3     3.99  #peak 200 #plist 1 #SUP 0.99 #QF 0.93
  1 TRP  HB2     1 TRP  HE3     3.14  #peak 203 #plist 1 #SUP 0.91 #QF 0.91
  1 TRP  HB3     1 TRP  HE3     3.66  #peak 204 #plist 1 #SUP 0.99 #QF 0.99
  1 TRP  HB2     2 LYS  H       3.81  #peak 205 #plist 1 #SUP 0.96 #QF 0.96
  1 TRP  HB3     2 LYS  H       4.18  #peak 206 #plist 1 #SUP 0.90 #QF 0.90
  1 TRP  HB2     1 TRP  HZ3     5.41  #peak 207 #plist 1 #SUP 0.95 #QF 0.93
  7 ALYS HE2     9 TRP  HZ3     5.50  #peak 207 #plist 1 #SUP 0.95 #QF 0.93
  7 ALYS HE3     9 TRP  HZ3     5.50  #peak 208 #plist 1 #SUP 0.59 #QF 0.59
  0 ACE  HA2     1 TRP  H       3.34  #peak 210 #plist 1 #SUP 0.92 #QF 0.92
  0 ACE  HA3     1 TRP  H       3.16  #peak 211 #plist 1 #SUP 0.91 #QF 0.91
  1 TRP  H       8 THR  QG2     5.36  #peak 212 #plist 1 #SUP 0.81 #QF 0.81
  1 TRP  H      11 THR  HG1     5.50  #peak 213 #plist 1 #SUP 0.84 #QF 0.84
  1 TRP  H      10 ARG  HA      5.50  #peak 214 #plist 1 #SUP 0.94 #QF 0.94
  1 TRP  H      14 CYSS HA      5.50  #peak 215 #plist 1 #SUP 0.88 #QF 0.88
  1 TRP  HE1    14 CYSS HB2     4.85  #peak 217 #plist 1 #SUP 0.75 #QF 0.75
  4 ILE  H       5 ALYS QE      5.50  #peak 221 #plist 1 #SUP 0.97 #QF 0.97
  3 THR  QG2     4 ILE  H       3.44  #peak 223 #plist 1 #SUP 0.95 #QF 0.95
  2 LYS  HG2     3 THR  H       4.63  #peak 224 #plist 1 #SUP 0.86 #QF 0.80
  2 LYS  HG3     3 THR  H       4.63  #peak 224 #plist 1 #SUP 0.86 #QF 0.80
  1 TRP  HZ2    10 ARG  HG3     4.50  #peak 225 #plist 1 #SUP 0.67 #QF 0.67
  9 TRP  HZ2    11 THR  QG2     3.87  #peak 226 #plist 1 #SUP 0.55 #QF 0.55
  1 TRP  HD1    11 THR  HG1     4.97  #peak 228 #plist 1 #SUP 0.87 #QF 0.82
  1 TRP  HH2    10 ARG  HG3     5.50  #peak 228 #plist 1 #SUP 0.87 #QF 0.82
  9 TRP  HH2    11 THR  QG2     5.28  #peak 229 #plist 1 #SUP 0.97 #QF 0.97
  9 TRP  HD1    11 THR  QG2     3.74  #peak 231 #plist 1 #SUP 0.95 #QF 0.95
 10 ARG  HA     10 ARG  HG2     3.86  #peak 248 #plist 1 #SUP 0.76 #QF 0.76
  0 ACE  HA2    14 CYSS HB2     3.79  #peak 262 #plist 1 #SUP 0.93 #QF 0.93
  0 ACE  HA2    14 CYSS HB3     3.79  #peak 263 #plist 1 #SUP 0.94 #QF 0.94
  0 ACE  HA3    14 CYSS HB2     4.37  #peak 264 #plist 1 #SUP 0.93 #QF 0.93
  0 ACE  HA3    14 CYSS HB3     4.37  #peak 265 #plist 1 #SUP 1.00
 13 GLN  HG2    14 CYSS H       4.94  #peak 266 #plist 1 #SUP 1.00
 13 GLN  HG3    14 CYSS H       4.94  #peak 267 #plist 1 #SUP 0.99 #QF 0.98
  4 ILE  HB      9 TRP  HH2     3.61  #peak 268 #plist 1 #SUP 0.94 #QF 0.94
  4 ILE  HB      9 TRP  HZ3     3.74  #peak 269 #plist 1 #SUP 0.92 #QF 0.92
  7 ALYS HB2     9 TRP  HE3     4.33  #peak 272 #plist 1 #SUP 0.96 #QF 0.96
  7 ALYS HB3     9 TRP  HE3     4.33  #peak 273 #plist 1 #SUP 0.88 #QF 0.88
  4 ILE  QG2     9 TRP  HZ2     4.66  #peak 274 #plist 1 #SUP 0.48 #QF 0.48
  4 ILE  QG2     9 TRP  HH2     3.93  #peak 275 #plist 1 #SUP 1.00
  4 ILE  QG2     9 TRP  HZ3     5.06  #peak 276 #plist 1 #SUP 1.00
  4 ILE  QD1     9 TRP  HZ2     4.30  #peak 278 #plist 1 #SUP 0.48 #QF 0.48
  4 ILE  QD1     9 TRP  HH2     3.76  #peak 279 #plist 1 #SUP 0.98 #QF 0.98
  4 ILE  QD1     9 TRP  HZ3     4.38  #peak 280 #plist 1 #SUP 0.97 #QF 0.97
  4 ILE  QD1     9 TRP  HD1     4.70  #peak 281 #plist 1 #SUP 0.96 #QF 0.96
  7 ALYS QG      9 TRP  HE3     3.90  #peak 282 #plist 1 #SUP 0.94 #QF 0.94
  1 TRP  HE3     8 THR  QG2     2.89  #peak 283 #plist 1 #SUP 0.86 #QF 0.86
  1 TRP  HZ3     8 THR  QG2     3.33  #peak 285 #plist 1 #SUP 0.90 #QF 0.90
  8 THR  QG2     9 TRP  HE3     5.33  #peak 286 #plist 1 #SUP 0.84 #QF 0.84
  1 TRP  HZ2    10 ARG  QB      5.50  #peak 289 #plist 1 #SUP 0.81 #QF 0.45
  1 TRP  HZ2    10 ARG  QD      3.73  #peak 292 #plist 1 #SUP 0.93 #QF 0.93
  1 TRP  HE3    10 ARG  QD      5.34  #peak 293 #plist 1 #SUP 0.94 #QF 0.94
  1 TRP  HH2    10 ARG  QD      4.27  #peak 295 #plist 1 #SUP 0.95 #QF 0.24
  1 TRP  HE3     8 THR  HB      4.42  #peak 296 #plist 1 #SUP 0.98 #QF 0.98
  1 TRP  HE3    10 ARG  HA      4.01  #peak 297 #plist 1 #SUP 0.99 #QF 0.99
  0 ACE  HA2     1 TRP  HD1     4.82  #peak 298 #plist 1 #SUP 0.95 #QF 0.95
  0 ACE  HA3     1 TRP  HD1     4.89  #peak 299 #plist 1 #SUP 0.98 #QF 0.98
  9 TRP  HE1    11 THR  QG2     3.61  #peak 300 #plist 1 #SUP 0.95 #QF 0.95
  9 TRP  HE1    11 THR  HA      4.17  #peak 301 #plist 1 #SUP 0.85 #QF 0.85
  3 THR  QG2     7 ALYS H       4.17  #peak 302 #plist 1 #SUP 0.94 #QF 0.94
  4 ILE  QG2     5 ALYS HZ      4.51  #peak 303 #plist 1 #SUP 0.81 #QF 0.81
  3 THR  QG2     6 GLY  H       3.81  #peak 304 #plist 1 #SUP 0.85 #QF 0.85
 10 ARG  HG2    11 THR  H       4.75  #peak 305 #plist 1 #SUP 0.50 #QF 0.50
 10 ARG  QB     11 THR  H       4.32  #peak 306 #plist 1 #SUP 0.95 #QF 0.95
 12 ALYS QB     13 GLN  H       4.20  #peak 307 #plist 1 #SUP 0.94 #QF 0.94
  5 ALYS HB2     6 GLY  H       3.89  #peak 309 #plist 1 #SUP 0.84 #QF 0.84
  5 ALYS HB3     6 GLY  H       3.89  #peak 310 #plist 1 #SUP 0.77 #QF 0.77
  1 TRP  HB3    11 THR  H       3.97  #peak 312 #plist 1 #SUP 0.86 #QF 0.86
 10 ARG  QD     11 THR  H       4.22  #peak 313 #plist 1 #SUP 0.22 #QF 0.22
  9 TRP  HD1    11 THR  HA      3.97  #peak 315 #plist 1 #SUP 0.83 #QF 0.83
  3 THR  HA      4 ILE  H       3.23  #peak 316 #plist 1 #SUP 0.84 #QF 0.84
  1 TRP  HE1    10 ARG  QD      4.34  #peak 331 #plist 1 #SUP 0.97 #QF 0.92
  1 TRP  HE1    14 CYSS HB3     4.85  #peak 331 #plist 1 #SUP 0.97 #QF 0.92
  9 TRP  HB2     9 TRP  HE1     4.86  #peak 334 #plist 1 #SUP 0.99 #QF 0.99
  4 ILE  QG2     9 TRP  HE1     5.50  #peak 336 #plist 1 #SUP 1.00
  4 ILE  QD1     9 TRP  HE1     5.00  #peak 337 #plist 1 #SUP 0.96 #QF 0.96
  1 TRP  HE1    10 ARG  HG2     4.94  #peak 338 #plist 1 #SUP 0.98 #QF 0.98
  4 ILE  QG2     5 ALYS H       5.00  #peak 342 #plist 1 #SUP 0.85 #QF 0.85
  4 ILE  HB      5 ALYS H       5.40  #peak 343 #plist 1 #SUP 0.63 #QF 0.43
  4 ILE  HA      6 GLY  H       5.35  #peak 345 #plist 1 #SUP 0.87 #QF 0.87
  1 TRP  HZ2    10 ARG  HG2     4.68  #peak 350 #plist 1 #SUP 0.91 #QF 0.91
  1 TRP  HE3    10 ARG  HG2     5.12  #peak 351 #plist 1 #SUP 0.44 #QF 0.44
  8 THR  QG2     9 TRP  H       4.74  #peak 353 #plist 1 #SUP 0.95 #QF 0.94
  1 TRP  HD1    10 ARG  QB      5.50  #peak 354 #plist 1 #SUP 0.98 #QF 0.83
  1 TRP  HH2    10 ARG  QB      5.50  #peak 354 #plist 1 #SUP 0.98 #QF 0.83
  7 ALYS QG      9 TRP  HZ3     4.70  #peak 356 #plist 1 #SUP 0.99 #QF 0.99
  9 TRP  HD1    10 ARG  QB      4.76  #peak 358 #plist 1 #SUP 0.80 #QF 0.80
  1 TRP  HE3    10 ARG  QB      5.50  #peak 361 #plist 1 #SUP 0.89 #QF 0.89
 13 GLN  HB2    14 CYSS H       5.31  #peak 362 #plist 1 #SUP 0.93 #QF 0.52
 13 GLN  HB3    14 CYSS H       5.31  #peak 362 #plist 1 #SUP 0.93 #QF 0.52
  1 TRP  HZ3    10 ARG  QD      5.38  #peak 363 #plist 1 #SUP 0.98 #QF 0.98
  1 TRP  HZ3     8 THR  HB      4.79  #peak 364 #plist 1 #SUP 0.99 #QF 0.99
  1 TRP  HZ3    10 ARG  HA      5.06  #peak 365 #plist 1 #SUP 0.99 #QF 0.99
  1 TRP  HD1    10 ARG  HA      4.54  #peak 367 #plist 1 #SUP 0.96 #QF 0.96
  8 THR  HB      9 TRP  HE3     5.50  #peak 368 #plist 1 #SUP 0.97 #QF 0.97
  1 TRP  HZ2    10 ARG  HA      5.08  #peak 369 #plist 1 #SUP 0.91 #QF 0.91
  8 THR  HA      9 TRP  HE3     4.18  #peak 372 #plist 1 #SUP 0.86 #QF 0.86
 13 GLN  H      14 CYSS H       4.77  #peak 379 #plist 1 #SUP 0.98 #QF 0.98
  1 TRP  HE3     9 TRP  H       4.79  #peak 386 #plist 1 #SUP 0.94 #QF 0.94
  9 TRP  H       9 TRP  HD1     4.53  #peak 387 #plist 1 #SUP 0.87 #QF 0.87
  9 TRP  H       9 TRP  HE3     4.19  #peak 388 #plist 1 #SUP 0.68 #QF 0.68
  1 TRP  H       2 LYS  H       4.75  #peak 389 #plist 1 #SUP 0.98 #QF 0.98
  2 LYS  H       3 THR  H       5.06  #peak 390 #plist 1 #SUP 1.00
  3 THR  H       4 ILE  H       5.44  #peak 390 #plist 1 #SUP 1.00
  2 LYS  H      11 THR  H       5.09  #peak 391 #plist 1 #SUP 0.92 #QF 0.92
  4 ILE  H       7 ALYS H       4.92  #peak 392 #plist 1 #SUP 0.88 #QF 0.88
  4 ILE  H       9 TRP  HE3     5.50  #peak 393 #plist 1 #SUP 0.94 #QF 0.94
  1 TRP  HD1     2 LYS  H       4.99  #peak 395 #plist 1 #SUP 0.91 #QF 0.91
  4 ILE  H       9 TRP  HH2     5.14  #peak 396 #plist 1 #SUP 0.94 #QF 0.94
  4 ILE  H       9 TRP  HZ3     4.62  #peak 397 #plist 1 #SUP 0.98 #QF 0.98
  1 TRP  H       1 TRP  HE3     4.25  #peak 399 #plist 1 #SUP 0.97 #QF 0.97
  1 TRP  H       1 TRP  HD1     3.33  #peak 400 #plist 1 #SUP 0.87 #QF 0.87
  1 TRP  HZ2    10 ARG  H       5.38  #peak 401 #plist 1 #SUP 0.90 #QF 0.90
  1 TRP  HE3    10 ARG  H       4.67  #peak 402 #plist 1 #SUP 0.99 #QF 0.99
  1 TRP  HH2    10 ARG  H       5.37  #peak 403 #plist 1 #SUP 0.95 #QF 0.95
  1 TRP  HZ3    10 ARG  H       4.31  #peak 404 #plist 1 #SUP 0.98 #QF 0.98
  9 TRP  HD1    10 ARG  H       4.36  #peak 405 #plist 1 #SUP 0.96 #QF 0.96
  6 GLY  H       7 ALYS H       3.88  #peak 406 #plist 1 #SUP 0.87 #QF 0.87
 10 ARG  H      11 THR  H       4.71  #peak 407 #plist 1 #SUP 1.00
  7 ALYS H       8 THR  H       5.03  #peak 408 #plist 1 #SUP 0.96 #QF 0.96
  0 ACE  HA2    14 CYSS HA      4.43  #peak 409 #plist 1 #SUP 0.94 #QF 0.94
  0 ACE  HA3    14 CYSS HA      4.57  #peak 410 #plist 1 #SUP 0.95 #QF 0.95
 10 ARG  QB     10 ARG  QD      3.33  #peak 411 #plist 1 #SUP 0.98 #QF 0.98
  1 TRP  HB3    11 THR  HG1     3.75  #peak 414 #plist 1 #SUP 0.50 #QF 0.50
  2 LYS  HG2     2 LYS  QE      4.00  #peak 415 #plist 1 #SUP 0.99 #QF 0.87
  2 LYS  HG3     2 LYS  QE      4.00  #peak 415 #plist 1 #SUP 0.99 #QF 0.87
  2 LYS  QE      4 ILE  QD1     4.07  #peak 416 #plist 1 #SUP 0.99 #QF 0.99
  8 THR  QG2     9 TRP  HB2     5.50  #peak 417 #plist 1 #SUP 0.90 #QF 0.77
  9 TRP  HB2    11 THR  QG2     4.84  #peak 418 #plist 1 #SUP 0.84 #QF 0.84
  5 ALYS HG3     5 ALYS QE      3.86  #peak 420 #plist 1 #SUP 0.64 #QF 0.64
 12 ALYS QG     12 ALYS QE      3.67  #peak 421 #plist 1 #SUP 0.90 #QF 0.90
  4 ILE  HB      5 ALYS QE      5.02  #peak 422 #plist 1 #SUP 0.99 #QF 0.40
 12 ALYS QB     12 ALYS QG      3.01  #peak 446 #plist 1 #SUP 0.53 #QF 0.53
  4 ILE  QG2     4 ILE  HG13    3.35  #peak 448 #plist 1 #SUP 0.84 #QF 0.84
  4 ILE  QG2     4 ILE  QD1     5.50  #peak 449 #plist 1 #SUP 0.93 #QF 0.93
  4 ILE  H       8 THR  HA      4.85  #peak 452 #plist 1 #SUP 0.78 #QF 0.78
  1 TRP  HD1    11 THR  H       5.50  #peak 454 #plist 1 #SUP 0.82 #QF 0.82
  9 TRP  HD1    11 THR  H       5.50  #peak 455 #plist 1 #SUP 0.81 #QF 0.81
  1 TRP  HE3    11 THR  H       5.50  #peak 456 #plist 1 #SUP 0.99 #QF 0.99
  4 ILE  HA      5 ALYS HA      4.75  #peak 461 #plist 1 #SUP 0.85 #QF 0.85
  2 LYS  HA      3 THR  HB      5.30  #peak 462 #plist 1 #SUP 0.95 #QF 0.95
 11 THR  HA     12 ALYS HA      5.28  #peak 463 #plist 1 #SUP 0.97 #QF 0.82
 11 THR  HB     12 ALYS HA      5.50  #peak 463 #plist 1 #SUP 0.97 #QF 0.82
 10 ARG  HA     11 THR  HA      5.30  #peak 464 #plist 1 #SUP 0.76 #QF 0.76
  1 TRP  HB3    10 ARG  HA      4.64  #peak 465 #plist 1 #SUP 0.98 #QF 0.98
  1 TRP  HB2    10 ARG  HA      4.90  #peak 466 #plist 1 #SUP 0.88 #QF 0.88
  5 ALYS HA      5 ALYS HG2     4.00  #peak 468 #plist 1 #SUP 0.88 #QF 0.88
  5 ALYS HA      5 ALYS HG3     4.00  #peak 469 #plist 1 #SUP 0.81 #QF 0.81
  8 THR  QG2    10 ARG  HA      5.50  #peak 471 #plist 1 #SUP 0.95 #QF 0.94
  3 THR  HB      8 THR  HG1     5.50  #peak 471 #plist 1 #SUP 0.95 #QF 0.94
 10 ARG  HA     10 ARG  HG3     3.71  #peak 472 #plist 1 #SUP 0.63 #QF 0.63
  3 THR  QG2     6 GLY  HA3     4.56  #peak 473 #plist 1 #SUP 0.92 #QF 0.92
  4 ILE  QG2     5 ALYS HA      4.45  #peak 474 #plist 1 #SUP 0.94 #QF 0.94
  3 THR  QG2     8 THR  HB      5.05  #peak 475 #plist 1 #SUP 0.79 #QF 0.79
 11 THR  QG2    12 ALYS HA      5.50  #peak 476 #plist 1 #SUP 0.87 #QF 0.68
 11 THR  HG1    12 ALYS HA      5.50  #peak 476 #plist 1 #SUP 0.87 #QF 0.68
  3 THR  QG2     6 GLY  HA2     4.56  #peak 477 #plist 1 #SUP 0.98 #QF 0.98
  3 THR  QG2     4 ILE  HA      4.54  #peak 478 #plist 1 #SUP 0.91 #QF 0.91
  4 ILE  HA      4 ILE  HG13    4.01  #peak 479 #plist 1 #SUP 0.78 #QF 0.78
 11 THR  HB     12 ALYS QB      4.38  #peak 480 #plist 1 #SUP 0.54 #QF 0.54
 12 ALYS QB     12 ALYS QE      4.38  #peak 481 #plist 1 #SUP 0.99 #QF 0.99
  5 ALYS HG2     5 ALYS QE      3.86  #peak 484 #plist 1 #SUP 0.77 #QF 0.77
  1 TRP  HB2     8 THR  QG2     3.58  #peak 494 #plist 1 #SUP 0.87 #QF 0.87
  1 TRP  HB3     8 THR  QG2     4.23  #peak 495 #plist 1 #SUP 0.97 #QF 0.97
  4 ILE  QG2     5 ALYS QE      4.30  #peak 496 #plist 1 #SUP 0.97 #QF 0.97
 12 ALYS QB     12 ALYS QD      3.51  #peak 510 #plist 1 #SUP 0.84 #QF 0.84
  0 ACE  HA2    14 CYSS QB      3.25  #peak 263 #plist 1
  0 ACE  HA3    14 CYSS QB      3.68  #peak 264 #plist 1
  1 TRP  H      14 CYSS QB      4.07  #peak 200 #plist 1
  1 TRP  HD1    14 CYSS QB      3.11  #peak 202 #plist 1
  1 TRP  HE1    14 CYSS QB      4.26  #peak 217 #plist 1
  2 LYS  H       2 LYS  QB      3.50  #peak 169 #plist 1
  2 LYS  QB      2 LYS  QE      4.61  #peak 413 #plist 1
  2 LYS  QB      3 THR  H       4.32  #peak 311 #plist 1
  2 LYS  QG      2 LYS  QE      3.38  #peak 415 #plist 1
  2 LYS  QG      3 THR  H       3.91  #peak 224 #plist 1
  2 LYS  QE      4 ILE  QG1     3.95  #peak 492 #plist 1
  3 THR  HA      4 ILE  QG1     4.71  #peak 178 #plist 1
  3 THR  QG2     6 GLY  QA      3.69  #peak 473 #plist 1
  4 ILE  H       4 ILE  QG1     3.77  #peak 169 #plist 1
  4 ILE  H       7 ALYS QB      5.34  #peak 222 #plist 1
  4 ILE  HA      4 ILE  QG1     3.45  #peak 479 #plist 1
  4 ILE  HB      5 ALYS QG      3.85  #peak 501 #plist 1
  4 ILE  QG2     5 ALYS QG      3.31  #peak 450 #plist 1
  4 ILE  QG1     5 ALYS QE      4.59  #peak 482 #plist 1
  4 ILE  QG1     9 TRP  HE1     4.58  #peak 339 #plist 1
  4 ILE  QG1     9 TRP  HH2     3.84  #peak 290 #plist 1
  4 ILE  QG1    11 THR  QG2     3.44  #peak 513 #plist 1
  5 ALYS HA      5 ALYS QG      3.50  #peak 469 #plist 1
  5 ALYS HA      5 ALYS QD      4.47  #peak 151 #plist 1
  5 ALYS QB      5 ALYS QD      3.26  #peak 506 #plist 1
  5 ALYS QB      5 ALYS QE      4.28  #peak 423 #plist 1
  5 ALYS QB      6 GLY  H       3.41  #peak 309 #plist 1
  5 ALYS QB      7 ALYS H       4.17  #peak 144 #plist 1
  5 ALYS QG      5 ALYS QE      3.36  #peak 484 #plist 1
  5 ALYS QG      5 ALYS HZ      4.47  #peak 146 #plist 1
  7 ALYS H       7 ALYS QB      3.02  #peak 15 #plist 1
  7 ALYS H       7 ALYS QD      4.58  #peak 19 #plist 1
  7 ALYS HA      7 ALYS QD      4.08  #peak 41 #plist 1
  7 ALYS QB      7 ALYS QD      2.94  #peak 507 #plist 1
  7 ALYS QB      9 TRP  HE3     3.77  #peak 272 #plist 1
  7 ALYS QB      9 TRP  HZ3     3.96  #peak 271 #plist 1
  7 ALYS QG      7 ALYS QD      2.45  #peak 447 #plist 1
  7 ALYS QD      8 THR  H       5.02  #peak 53 #plist 1
  7 ALYS QD      9 TRP  HE3     5.34  #peak 289 #plist 1
  7 ALYS QD      9 TRP  HZ3     4.18  #peak 355 #plist 1
 13 GLN  H      13 GLN  QB      3.40  #peak 118 #plist 1
 13 GLN  HA     13 GLN  QG      3.48  #peak 123 #plist 1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           H01      ACE   0   3.066  -0.235  -1.623
    2    H2   ACE   0           H02      ACE   0   1.248  -0.712  -1.198
    3    H    TRP   1           H        TRP   1   3.290   1.760  -2.597
    4    HA   TRP   1           HA       TRP   1   0.877   3.019  -3.628
    5    HB2  TRP   1           HB2      TRP   1   3.719   3.843  -4.210
    6    HB3  TRP   1           HB3      TRP   1   2.261   4.827  -4.299
    7    HD1  TRP   1           HD1      TRP   1   0.984   4.536  -1.533
    8    HE1  TRP   1           HE1      TRP   1   2.167   5.344   0.605
    9    HE3  TRP   1           HE3      TRP   1   5.808   4.545  -3.228
   10    HZ2  TRP   1           HZ2      TRP   1   4.797   5.911   1.460
   11    HZ3  TRP   1           HZ3      TRP   1   7.598   5.234  -1.687
   12    HH2  TRP   1           HH2      TRP   1   7.101   5.903   0.608
   13    H    LYS   2           H        LYS   2   1.644   3.975  -6.053
   14    HA   LYS   2           HA       LYS   2   1.669   1.533  -7.665
   15    HB2  LYS   2           HB2      LYS   2  -0.174   3.128  -8.018
   16    HB3  LYS   2           HB3      LYS   2   0.990   4.377  -8.440
   17    HG2  LYS   2           HG2      LYS   2   1.668   3.142 -10.399
   18    HG3  LYS   2           HG3      LYS   2   0.612   1.800  -9.952
   19    HD2  LYS   2           HD2      LYS   2  -1.237   3.667  -9.979
   20    HD3  LYS   2           HD3      LYS   2  -0.084   4.495 -11.028
   21    HE2  LYS   2           HE2      LYS   2  -1.330   3.330 -12.569
   22    HE3  LYS   2           HE3      LYS   2  -0.014   2.197 -12.270
   23    HZ1  LYS   2           HZ1      LYS   2  -2.797   2.081 -11.290
   24    HZ2  LYS   2           HZ2      LYS   2  -1.927   0.908 -12.143
   25    HZ3  LYS   2           HZ3      LYS   2  -1.564   1.217 -10.519
   26    H    THR   3           H        THR   3   3.044   1.280  -9.457
   27    HA   THR   3           HA       THR   3   5.352   3.105  -9.552
   28    HB   THR   3           HB       THR   3   5.548   0.099  -9.802
   29    HG1  THR   3           HG1      THR   3   5.582   0.127  -7.693
   30   HG21  THR   3          HG21      THR   3   8.018   0.714  -9.401
   31   HG22  THR   3          HG22      THR   3   7.336   1.016 -11.000
   32   HG23  THR   3          HG23      THR   3   7.538   2.347  -9.860
   33    H    ILE   4           H        ILE   4   5.685   3.903 -11.515
   34    HA   ILE   4           HA       ILE   4   5.173   2.259 -13.868
   35    HB   ILE   4           HB       ILE   4   3.991   5.026 -13.622
   36   HG12  ILE   4          HG12      ILE   4   2.615   2.331 -13.568
   37   HG13  ILE   4          HG13      ILE   4   2.793   3.420 -12.196
   38   HG21  ILE   4          HG21      ILE   4   2.903   3.408 -15.717
   39   HG22  ILE   4          HG22      ILE   4   3.733   4.961 -15.825
   40   HG23  ILE   4          HG23      ILE   4   4.660   3.461 -15.860
   41   HD11  ILE   4          HD11      ILE   4   0.726   3.329 -14.106
   42   HD12  ILE   4          HD12      ILE   4   0.922   4.446 -12.756
   43   HD13  ILE   4          HD13      ILE   4   1.590   4.849 -14.337
   44   HH31  ALY   5          HH31      ALY   5   6.449  10.417 -13.501
   45   HH32  ALY   5          HH32      ALY   5   5.264  10.574 -14.821
   46   HH33  ALY   5          HH33      ALY   5   4.779   9.849 -13.269
   47    HZ   ALY   5           HZ       ALY   5   6.559   8.615 -16.300
   48    HE3  ALY   5           HE3      ALY   5   5.501   6.271 -15.466
   49    HE2  ALY   5           HE2      ALY   5   4.245   6.974 -16.490
   50    HD3  ALY   5           HD3      ALY   5   5.390   6.484 -18.358
   51    HD2  ALY   5           HD2      ALY   5   6.842   7.286 -17.744
   52    HG3  ALY   5           HG3      ALY   5   5.997   4.479 -16.945
   53    HG2  ALY   5           HG2      ALY   5   7.120   4.826 -18.269
   54    HB3  ALY   5           HB3      ALY   5   8.762   5.662 -16.841
   55    HB2  ALY   5           HB2      ALY   5   7.615   6.008 -15.554
   56    HA   ALY   5           HA       ALY   5   8.610   3.259 -16.401
   57    H    ALY   5           H        ALY   5   6.745   2.458 -15.318
   58    H    GLY   6           H        GLY   6   8.844   2.489 -13.655
   59    HA2  GLY   6           HA2      GLY   6  10.337   2.581 -11.911
   60    HA3  GLY   6           HA3      GLY   6  11.464   3.184 -13.118
   61   HH31  ALY   7          HH31      ALY   7  13.416  10.874 -16.160
   62   HH32  ALY   7          HH32      ALY   7  12.068  11.572 -17.091
   63   HH33  ALY   7          HH33      ALY   7  12.939  12.567 -15.900
   64    HZ   ALY   7           HZ       ALY   7  12.039   9.297 -14.930
   65    HE3  ALY   7           HE3      ALY   7   9.535  10.183 -13.854
   66    HE2  ALY   7           HE2      ALY   7   9.448   8.682 -14.778
   67    HD3  ALY   7           HD3      ALY   7  10.789   7.516 -13.293
   68    HD2  ALY   7           HD2      ALY   7  11.645   8.968 -12.756
   69    HG3  ALY   7           HG3      ALY   7  10.341   8.710 -10.905
   70    HG2  ALY   7           HG2      ALY   7   9.157   9.583 -11.889
   71    HB3  ALY   7           HB3      ALY   7   7.811   7.838 -11.455
   72    HB2  ALY   7           HB2      ALY   7   8.715   7.046 -12.738
   73    HA   ALY   7           HA       ALY   7  10.210   6.652 -10.347
   74    H    ALY   7           H        ALY   7   8.551   4.497 -11.506
   75    H    THR   8           H        THR   8   9.236   7.733  -8.618
   76    HA   THR   8           HA       THR   8   6.925   6.301  -7.483
   77    HB   THR   8           HB       THR   8   8.388   7.925  -5.572
   78    HG1  THR   8           HG1      THR   8  10.203   6.301  -5.631
   79   HG21  THR   8          HG21      THR   8   8.284   4.956  -5.444
   80   HG22  THR   8          HG22      THR   8   7.989   6.153  -4.182
   81   HG23  THR   8          HG23      THR   8   6.755   5.835  -5.402
   82    H    TRP   9           H        TRP   9   6.005   7.878  -5.589
   83    HA   TRP   9           HA       TRP   9   5.856  10.628  -6.069
   84    HB2  TRP   9           HB2      TRP   9   3.438  10.612  -6.970
   85    HB3  TRP   9           HB3      TRP   9   4.747  10.314  -8.110
   86    HD1  TRP   9           HD1      TRP   9   2.161   8.289  -6.050
   87    HE1  TRP   9           HE1      TRP   9   1.579   6.164  -7.380
   88    HE3  TRP   9           HE3      TRP   9   5.407   8.862  -9.957
   89    HZ2  TRP   9           HZ2      TRP   9   2.389   4.897  -9.769
   90    HZ3  TRP   9           HZ3      TRP   9   5.442   7.149 -11.723
   91    HH2  TRP   9           HH2      TRP   9   3.964   5.208 -11.629
   92    H    ARG  10           H        ARG  10   4.249   7.723  -4.938
   93    HA   ARG  10           HA       ARG  10   3.142   7.244  -3.009
   94    HB2  ARG  10           HB2      ARG  10   5.124   8.477  -2.032
   95    HB3  ARG  10           HB3      ARG  10   4.109   9.912  -1.983
   96    HG2  ARG  10           HG2      ARG  10   2.895   7.560  -0.744
   97    HG3  ARG  10           HG3      ARG  10   4.383   8.104   0.034
   98    HD2  ARG  10           HD2      ARG  10   2.510  10.250  -0.670
   99    HD3  ARG  10           HD3      ARG  10   1.903   9.111   0.532
  100    HE   ARG  10           HE       ARG  10   4.406   9.741   1.406
  101   HH11  ARG  10          HH11      ARG  10   1.569  11.576   0.566
  102   HH12  ARG  10          HH12      ARG  10   1.910  12.859   1.679
  103   HH21  ARG  10          HH21      ARG  10   4.865  11.423   2.876
  104   HH22  ARG  10          HH22      ARG  10   3.785  12.772   2.992
  105    H    THR  11           H        THR  11   1.014   7.241  -3.363
  106    HA   THR  11           HA       THR  11  -0.394   9.825  -3.473
  107    HB   THR  11           HB       THR  11  -0.802   8.669  -5.504
  108    HG1  THR  11           HG1      THR  11  -2.701   9.406  -4.073
  109   HG21  THR  11          HG21      THR  11  -1.511   6.241  -3.852
  110   HG22  THR  11          HG22      THR  11  -1.602   6.360  -5.609
  111   HG23  THR  11          HG23      THR  11  -0.038   6.447  -4.799
  112   HH31  ALY  12          HH31      ALY  12  -9.013   2.381   0.672
  113   HH32  ALY  12          HH32      ALY  12  -8.005   3.759   0.168
  114   HH33  ALY  12          HH33      ALY  12  -8.673   2.650  -1.053
  115    HZ   ALY  12           HZ       ALY  12  -5.335   1.684   0.868
  116    HE3  ALY  12           HE3      ALY  12  -4.308   2.870  -0.711
  117    HE2  ALY  12           HE2      ALY  12  -5.751   3.850  -0.987
  118    HD3  ALY  12           HD3      ALY  12  -5.256   4.835   1.379
  119    HD2  ALY  12           HD2      ALY  12  -3.641   4.150   1.155
  120    HG3  ALY  12           HG3      ALY  12  -4.836   5.831  -1.036
  121    HG2  ALY  12           HG2      ALY  12  -4.181   6.631   0.401
  122    HB3  ALY  12           HB3      ALY  12  -2.304   4.648  -0.381
  123    HB2  ALY  12           HB2      ALY  12  -2.798   5.472  -1.853
  124    HA   ALY  12           HA       ALY  12  -2.373   7.566  -0.050
  125    H    ALY  12           H        ALY  12  -0.445   6.559  -2.101
  126    H    GLN  13           H        GLN  13  -2.283   5.549   1.739
  127    HA   GLN  13           HA       GLN  13   0.480   5.731   2.717
  128    HB2  GLN  13           HB2      GLN  13  -2.115   5.269   4.193
  129    HB3  GLN  13           HB3      GLN  13  -0.528   5.231   4.950
  130    HG2  GLN  13           HG2      GLN  13  -0.951   7.655   3.421
  131    HG3  GLN  13           HG3      GLN  13  -2.171   7.429   4.673
  132   HE21  GLN  13          HE21      GLN  13  -1.112   6.584   6.803
  133   HE22  GLN  13          HE22      GLN  13   0.257   7.495   7.333
  134    H    CYS  14           H        CYS  14   1.250   3.947   1.507
  135    HA   CYS  14           HA       CYS  14   0.164   1.414   1.355
  136    HB2  CYS  14           HB2      CYS  14   2.421   2.530   0.413
  137    HB3  CYS  14           HB3      CYS  14   3.107   1.569   1.719
  138    HN1  NH2  15           H1       CYS  14   0.023  -0.346   2.733
  Start of MODEL    2
    1    H1   ACE   0           H01      ACE   0   3.057  -0.261  -1.629
    2    H2   ACE   0           H02      ACE   0   1.231  -0.707  -1.181
    3    H    TRP   1           H        TRP   1   3.289   1.758  -2.578
    4    HA   TRP   1           HA       TRP   1   0.882   3.012  -3.623
    5    HB2  TRP   1           HB2      TRP   1   3.727   3.830  -4.201
    6    HB3  TRP   1           HB3      TRP   1   2.271   4.816  -4.296
    7    HD1  TRP   1           HD1      TRP   1   0.986   4.535  -1.533
    8    HE1  TRP   1           HE1      TRP   1   2.165   5.345   0.606
    9    HE3  TRP   1           HE3      TRP   1   5.814   4.530  -3.216
   10    HZ2  TRP   1           HZ2      TRP   1   4.794   5.909   1.466
   11    HZ3  TRP   1           HZ3      TRP   1   7.601   5.218  -1.671
   12    HH2  TRP   1           HH2      TRP   1   7.100   5.893   0.620
   13    H    LYS   2           H        LYS   2   1.655   3.962  -6.049
   14    HA   LYS   2           HA       LYS   2   1.692   1.514  -7.656
   15    HB2  LYS   2           HB2      LYS   2  -0.168   3.094  -8.004
   16    HB3  LYS   2           HB3      LYS   2   0.985   4.347  -8.441
   17    HG2  LYS   2           HG2      LYS   2   1.634   3.162 -10.412
   18    HG3  LYS   2           HG3      LYS   2   0.684   1.752  -9.934
   19    HD2  LYS   2           HD2      LYS   2  -0.552   2.948 -11.599
   20    HD3  LYS   2           HD3      LYS   2  -1.360   3.184 -10.047
   21    HE2  LYS   2           HE2      LYS   2   0.689   5.183 -10.776
   22    HE3  LYS   2           HE3      LYS   2  -0.782   5.187 -11.748
   23    HZ1  LYS   2           HZ1      LYS   2  -2.004   5.227  -9.551
   24    HZ2  LYS   2           HZ2      LYS   2  -0.520   5.606  -8.831
   25    HZ3  LYS   2           HZ3      LYS   2  -1.191   6.647  -9.984
   26    H    THR   3           H        THR   3   3.056   1.285  -9.465
   27    HA   THR   3           HA       THR   3   5.350   3.129  -9.561
   28    HB   THR   3           HB       THR   3   5.593   0.130  -9.843
   29    HG1  THR   3           HG1      THR   3   5.492   0.157  -7.728
   30   HG21  THR   3          HG21      THR   3   7.833   0.437 -10.147
   31   HG22  THR   3          HG22      THR   3   7.262   1.959 -10.834
   32   HG23  THR   3          HG23      THR   3   7.874   1.913  -9.181
   33    H    ILE   4           H        ILE   4   5.708   3.912 -11.527
   34    HA   ILE   4           HA       ILE   4   5.171   2.270 -13.877
   35    HB   ILE   4           HB       ILE   4   4.018   5.049 -13.630
   36   HG12  ILE   4          HG12      ILE   4   2.601   2.376 -13.594
   37   HG13  ILE   4          HG13      ILE   4   2.817   3.432 -12.203
   38   HG21  ILE   4          HG21      ILE   4   3.779   4.989 -15.834
   39   HG22  ILE   4          HG22      ILE   4   4.657   3.459 -15.869
   40   HG23  ILE   4          HG23      ILE   4   2.899   3.465 -15.723
   41   HD11  ILE   4          HD11      ILE   4   0.594   3.677 -13.068
   42   HD12  ILE   4          HD12      ILE   4   1.498   5.162 -13.364
   43   HD13  ILE   4          HD13      ILE   4   1.218   4.023 -14.681
   44   HH31  ALY   5          HH31      ALY   5   4.098   9.866 -15.364
   45   HH32  ALY   5          HH32      ALY   5   3.690   9.124 -13.798
   46   HH33  ALY   5          HH33      ALY   5   4.820  10.497 -13.865
   47    HZ   ALY   5           HZ       ALY   5   6.939   8.173 -15.814
   48    HE3  ALY   5           HE3      ALY   5   5.371   6.219 -15.603
   49    HE2  ALY   5           HE2      ALY   5   4.309   7.178 -16.637
   50    HD3  ALY   5           HD3      ALY   5   5.417   6.440 -18.439
   51    HD2  ALY   5           HD2      ALY   5   6.882   7.234 -17.847
   52    HG3  ALY   5           HG3      ALY   5   5.991   4.466 -16.967
   53    HG2  ALY   5           HG2      ALY   5   7.116   4.754 -18.303
   54    HB3  ALY   5           HB3      ALY   5   8.771   5.620 -16.900
   55    HB2  ALY   5           HB2      ALY   5   7.632   5.996 -15.616
   56    HA   ALY   5           HA       ALY   5   8.614   3.229 -16.418
   57    H    ALY   5           H        ALY   5   6.729   2.460 -15.345
   58    H    GLY   6           H        GLY   6   8.847   2.490 -13.670
   59    HA2  GLY   6           HA2      GLY   6  10.338   2.601 -11.924
   60    HA3  GLY   6           HA3      GLY   6  11.464   3.199 -13.133
   61   HH31  ALY   7          HH31      ALY   7  12.078   9.475 -17.653
   62   HH32  ALY   7          HH32      ALY   7  12.225  11.249 -17.601
   63   HH33  ALY   7          HH33      ALY   7  13.515  10.227 -16.925
   64    HZ   ALY   7           HZ       ALY   7  11.382   8.502 -15.523
   65    HE3  ALY   7           HE3      ALY   7   9.876  10.387 -13.935
   66    HE2  ALY   7           HE2      ALY   7   8.995   8.977 -14.529
   67    HD3  ALY   7           HD3      ALY   7  10.615   7.472 -13.485
   68    HD2  ALY   7           HD2      ALY   7  11.607   8.845 -12.977
   69    HG3  ALY   7           HG3      ALY   7  10.452   8.630 -11.031
   70    HG2  ALY   7           HG2      ALY   7   9.223   9.568 -11.892
   71    HB3  ALY   7           HB3      ALY   7   7.831   7.876 -11.433
   72    HB2  ALY   7           HB2      ALY   7   8.655   7.027 -12.732
   73    HA   ALY   7           HA       ALY   7  10.204   6.659 -10.348
   74    H    ALY   7           H        ALY   7   8.563   4.481 -11.473
   75    H    THR   8           H        THR   8   9.250   7.711  -8.604
   76    HA   THR   8           HA       THR   8   6.928   6.292  -7.479
   77    HB   THR   8           HB       THR   8   8.378   7.908  -5.559
   78    HG1  THR   8           HG1      THR   8   9.821   5.857  -6.919
   79   HG21  THR   8          HG21      THR   8   8.244   4.924  -5.515
   80   HG22  THR   8          HG22      THR   8   8.072   6.076  -4.190
   81   HG23  THR   8          HG23      THR   8   6.756   5.857  -5.345
   82    H    TRP   9           H        TRP   9   6.013   7.871  -5.581
   83    HA   TRP   9           HA       TRP   9   5.866  10.621  -6.064
   84    HB2  TRP   9           HB2      TRP   9   3.447  10.608  -6.962
   85    HB3  TRP   9           HB3      TRP   9   4.755  10.307  -8.103
   86    HD1  TRP   9           HD1      TRP   9   2.172   8.284  -6.037
   87    HE1  TRP   9           HE1      TRP   9   1.584   6.160  -7.366
   88    HE3  TRP   9           HE3      TRP   9   5.407   8.857  -9.953
   89    HZ2  TRP   9           HZ2      TRP   9   2.387   4.894  -9.757
   90    HZ3  TRP   9           HZ3      TRP   9   5.436   7.144 -11.720
   91    HH2  TRP   9           HH2      TRP   9   3.957   5.204 -11.622
   92    H    ARG  10           H        ARG  10   4.259   7.718  -4.927
   93    HA   ARG  10           HA       ARG  10   3.154   7.241  -2.998
   94    HB2  ARG  10           HB2      ARG  10   5.136   8.477  -2.024
   95    HB3  ARG  10           HB3      ARG  10   4.120   9.911  -1.974
   96    HG2  ARG  10           HG2      ARG  10   2.907   7.561  -0.733
   97    HG3  ARG  10           HG3      ARG  10   4.398   8.103   0.042
   98    HD2  ARG  10           HD2      ARG  10   3.467  10.018   0.788
   99    HD3  ARG  10           HD3      ARG  10   2.489  10.230  -0.664
  100    HE   ARG  10           HE       ARG  10   1.459   8.070   0.784
  101   HH11  ARG  10          HH11      ARG  10   1.807  11.523   1.062
  102   HH12  ARG  10          HH12      ARG  10   0.394  11.717   2.046
  103   HH21  ARG  10          HH21      ARG  10  -0.403   8.313   2.078
  104   HH22  ARG  10          HH22      ARG  10  -0.862   9.891   2.624
  105    H    THR  11           H        THR  11   1.026   7.237  -3.348
  106    HA   THR  11           HA       THR  11  -0.384   9.821  -3.453
  107    HB   THR  11           HB       THR  11  -0.786   8.677  -5.492
  108    HG1  THR  11           HG1      THR  11  -3.025   8.023  -3.860
  109   HG21  THR  11          HG21      THR  11  -1.579   6.369  -5.615
  110   HG22  THR  11          HG22      THR  11  -0.023   6.450  -4.789
  111   HG23  THR  11          HG23      THR  11  -1.505   6.240  -3.858
  112   HH31  ALY  12          HH31      ALY  12  -7.321   1.066  -0.049
  113   HH32  ALY  12          HH32      ALY  12  -7.633   0.551  -1.724
  114   HH33  ALY  12          HH33      ALY  12  -5.999   1.068  -1.240
  115    HZ   ALY  12           HZ       ALY  12  -6.880   3.478  -3.089
  116    HE3  ALY  12           HE3      ALY  12  -5.397   5.142  -2.511
  117    HE2  ALY  12           HE2      ALY  12  -6.746   5.268  -1.379
  118    HD3  ALY  12           HD3      ALY  12  -5.527   4.209   0.369
  119    HD2  ALY  12           HD2      ALY  12  -4.286   3.619  -0.746
  120    HG3  ALY  12           HG3      ALY  12  -4.603   6.548  -0.787
  121    HG2  ALY  12           HG2      ALY  12  -4.117   5.918   0.794
  122    HB3  ALY  12           HB3      ALY  12  -2.302   4.625  -0.356
  123    HB2  ALY  12           HB2      ALY  12  -2.744   5.414  -1.863
  124    HA   ALY  12           HA       ALY  12  -2.381   7.536  -0.056
  125    H    ALY  12           H        ALY  12  -0.440   6.544  -2.104
  126    H    GLN  13           H        GLN  13  -2.281   5.517   1.731
  127    HA   GLN  13           HA       GLN  13   0.476   5.721   2.724
  128    HB2  GLN  13           HB2      GLN  13  -2.188   5.730   4.010
  129    HB3  GLN  13           HB3      GLN  13  -0.922   4.868   4.874
  130    HG2  GLN  13           HG2      GLN  13  -0.868   7.750   4.014
  131    HG3  GLN  13           HG3      GLN  13  -1.056   7.139   5.657
  132   HE21  GLN  13          HE21      GLN  13   0.964   8.924   4.548
  133   HE22  GLN  13          HE22      GLN  13   2.488   8.169   4.848
  134    H    CYS  14           H        CYS  14   1.244   3.941   1.493
  135    HA   CYS  14           HA       CYS  14   0.175   1.399   1.361
  136    HB2  CYS  14           HB2      CYS  14   2.404   2.522   0.378
  137    HB3  CYS  14           HB3      CYS  14   3.122   1.593   1.690
  138    HN1  NH2  15           H1       CYS  14  -0.257  -0.155   3.391
  Start of MODEL    3
    1    H1   ACE   0           H01      ACE   0   3.205  -0.147  -1.524
    2    H2   ACE   0           H02      ACE   0   1.411  -0.693  -1.123
    3    H    TRP   1           H        TRP   1   3.389   1.797  -2.561
    4    HA   TRP   1           HA       TRP   1   0.948   3.026  -3.573
    5    HB2  TRP   1           HB2      TRP   1   3.773   3.885  -4.183
    6    HB3  TRP   1           HB3      TRP   1   2.300   4.848  -4.266
    7    HD1  TRP   1           HD1      TRP   1   1.053   4.558  -1.487
    8    HE1  TRP   1           HE1      TRP   1   2.244   5.398   0.635
    9    HE3  TRP   1           HE3      TRP   1   5.861   4.624  -3.226
   10    HZ2  TRP   1           HZ2      TRP   1   4.874   6.008   1.462
   11    HZ3  TRP   1           HZ3      TRP   1   7.655   5.350  -1.706
   12    HH2  TRP   1           HH2      TRP   1   7.169   6.027   0.589
   13    H    LYS   2           H        LYS   2   1.686   3.972  -6.010
   14    HA   LYS   2           HA       LYS   2   1.731   1.517  -7.603
   15    HB2  LYS   2           HB2      LYS   2  -0.129   3.113  -7.940
   16    HB3  LYS   2           HB3      LYS   2   1.031   4.344  -8.422
   17    HG2  LYS   2           HG2      LYS   2   1.623   3.130 -10.382
   18    HG3  LYS   2           HG3      LYS   2   0.706   1.717  -9.853
   19    HD2  LYS   2           HD2      LYS   2  -0.519   2.954 -11.557
   20    HD3  LYS   2           HD3      LYS   2  -1.370   3.011 -10.012
   21    HE2  LYS   2           HE2      LYS   2   0.523   5.206 -10.409
   22    HE3  LYS   2           HE3      LYS   2  -0.786   5.172 -11.589
   23    HZ1  LYS   2           HZ1      LYS   2  -2.357   5.548  -9.998
   24    HZ2  LYS   2           HZ2      LYS   2  -1.452   4.848  -8.753
   25    HZ3  LYS   2           HZ3      LYS   2  -1.062   6.396  -9.314
   26    H    THR   3           H        THR   3   3.103   1.259  -9.392
   27    HA   THR   3           HA       THR   3   5.384   3.117  -9.527
   28    HB   THR   3           HB       THR   3   5.634   0.113  -9.743
   29    HG1  THR   3           HG1      THR   3   5.245   0.511  -7.605
   30   HG21  THR   3          HG21      THR   3   7.468   2.404 -10.082
   31   HG22  THR   3          HG22      THR   3   8.099   1.034  -9.168
   32   HG23  THR   3          HG23      THR   3   7.511   0.799 -10.813
   33    H    ILE   4           H        ILE   4   5.700   3.884 -11.505
   34    HA   ILE   4           HA       ILE   4   5.197   2.194 -13.828
   35    HB   ILE   4           HB       ILE   4   3.989   4.953 -13.627
   36   HG12  ILE   4          HG12      ILE   4   2.644   2.245 -13.498
   37   HG13  ILE   4          HG13      ILE   4   2.809   3.375 -12.159
   38   HG21  ILE   4          HG21      ILE   4   2.909   3.271 -15.679
   39   HG22  ILE   4          HG22      ILE   4   3.702   4.840 -15.825
   40   HG23  ILE   4          HG23      ILE   4   4.663   3.361 -15.838
   41   HD11  ILE   4          HD11      ILE   4   0.757   3.212 -14.103
   42   HD12  ILE   4          HD12      ILE   4   0.901   4.318 -12.737
   43   HD13  ILE   4          HD13      ILE   4   1.586   4.757 -14.302
   44   HH31  ALY   5          HH31      ALY   5   5.313  10.605 -14.327
   45   HH32  ALY   5          HH32      ALY   5   3.848   9.644 -14.642
   46   HH33  ALY   5          HH33      ALY   5   4.614   9.602 -13.035
   47    HZ   ALY   5           HZ       ALY   5   6.599   8.391 -16.175
   48    HE3  ALY   5           HE3      ALY   5   5.346   6.156 -15.575
   49    HE2  ALY   5           HE2      ALY   5   4.154   6.924 -16.627
   50    HD3  ALY   5           HD3      ALY   5   5.330   6.363 -18.451
   51    HD2  ALY   5           HD2      ALY   5   6.762   7.190 -17.825
   52    HG3  ALY   5           HG3      ALY   5   5.943   4.391 -16.978
   53    HG2  ALY   5           HG2      ALY   5   7.056   4.716 -18.315
   54    HB3  ALY   5           HB3      ALY   5   8.695   5.609 -16.912
   55    HB2  ALY   5           HB2      ALY   5   7.550   5.960 -15.626
   56    HA   ALY   5           HA       ALY   5   8.578   3.211 -16.431
   57    H    ALY   5           H        ALY   5   6.709   2.421 -15.344
   58    H    GLY   6           H        GLY   6   8.843   2.493 -13.675
   59    HA2  GLY   6           HA2      GLY   6  10.349   2.635 -11.944
   60    HA3  GLY   6           HA3      GLY   6  11.458   3.234 -13.170
   61   HH31  ALY   7          HH31      ALY   7  10.992   8.634 -18.228
   62   HH32  ALY   7          HH32      ALY   7   9.730   7.379 -18.190
   63   HH33  ALY   7          HH33      ALY   7   9.416   8.934 -18.997
   64    HZ   ALY   7           HZ       ALY   7  10.970   8.590 -15.920
   65    HE3  ALY   7           HE3      ALY   7  10.013  10.261 -14.478
   66    HE2  ALY   7           HE2      ALY   7   8.656   9.170 -14.195
   67    HD3  ALY   7           HD3      ALY   7  10.658   7.504 -13.520
   68    HD2  ALY   7           HD2      ALY   7  11.461   9.040 -13.167
   69    HG3  ALY   7           HG3      ALY   7  10.445   8.642 -11.133
   70    HG2  ALY   7           HG2      ALY   7   9.181   9.590 -11.932
   71    HB3  ALY   7           HB3      ALY   7   7.800   7.895 -11.473
   72    HB2  ALY   7           HB2      ALY   7   8.612   7.035 -12.774
   73    HA   ALY   7           HA       ALY   7  10.189   6.704 -10.401
   74    H    ALY   7           H        ALY   7   8.561   4.499 -11.490
   75    H    THR   8           H        THR   8   9.233   7.770  -8.663
   76    HA   THR   8           HA       THR   8   6.938   6.334  -7.504
   77    HB   THR   8           HB       THR   8   8.407   7.999  -5.627
   78    HG1  THR   8           HG1      THR   8   9.821   5.857  -6.871
   79   HG21  THR   8          HG21      THR   8   6.787   5.870  -5.448
   80   HG22  THR   8          HG22      THR   8   8.346   5.046  -5.403
   81   HG23  THR   8          HG23      THR   8   7.966   6.281  -4.203
   82    H    TRP   9           H        TRP   9   6.007   7.918  -5.624
   83    HA   TRP   9           HA       TRP   9   5.826  10.661  -6.128
   84    HB2  TRP   9           HB2      TRP   9   3.404  10.609  -7.019
   85    HB3  TRP   9           HB3      TRP   9   4.713  10.318  -8.161
   86    HD1  TRP   9           HD1      TRP   9   2.160   8.277  -6.074
   87    HE1  TRP   9           HE1      TRP   9   1.599   6.134  -7.386
   88    HE3  TRP   9           HE3      TRP   9   5.383   8.861 -10.000
   89    HZ2  TRP   9           HZ2      TRP   9   2.415   4.860  -9.769
   90    HZ3  TRP   9           HZ3      TRP   9   5.431   7.135 -11.753
   91    HH2  TRP   9           HH2      TRP   9   3.978   5.176 -11.638
   92    H    ARG  10           H        ARG  10   4.255   7.749  -4.965
   93    HA   ARG  10           HA       ARG  10   3.160   7.275  -3.028
   94    HB2  ARG  10           HB2      ARG  10   5.133   8.537  -2.069
   95    HB3  ARG  10           HB3      ARG  10   4.102   9.962  -2.029
   96    HG2  ARG  10           HG2      ARG  10   2.920   7.607  -0.765
   97    HG3  ARG  10           HG3      ARG  10   4.402   8.179   0.004
   98    HD2  ARG  10           HD2      ARG  10   2.499  10.292  -0.717
   99    HD3  ARG  10           HD3      ARG  10   1.910   9.158   0.497
  100    HE   ARG  10           HE       ARG  10   4.552  10.134   1.042
  101   HH11  ARG  10          HH11      ARG  10   1.147  10.781   1.375
  102   HH12  ARG  10          HH12      ARG  10   1.343  11.806   2.757
  103   HH21  ARG  10          HH21      ARG  10   4.824  11.483   2.862
  104   HH22  ARG  10          HH22      ARG  10   3.436  12.206   3.602
  105    H    THR  11           H        THR  11   1.032   7.245  -3.374
  106    HA   THR  11           HA       THR  11  -0.405   9.812  -3.514
  107    HB   THR  11           HB       THR  11  -0.816   8.612  -5.519
  108    HG1  THR  11           HG1      THR  11  -3.081   7.823  -4.047
  109   HG21  THR  11          HG21      THR  11  -0.023   6.414  -4.786
  110   HG22  THR  11          HG22      THR  11  -1.478   6.210  -3.810
  111   HG23  THR  11          HG23      THR  11  -1.600   6.292  -5.568
  112   HH31  ALY  12          HH31      ALY  12  -8.809   3.231   0.069
  113   HH32  ALY  12          HH32      ALY  12  -8.377   1.506   0.121
  114   HH33  ALY  12          HH33      ALY  12  -9.336   2.224   1.438
  115    HZ   ALY  12           HZ       ALY  12  -6.139   2.521  -0.039
  116    HE3  ALY  12           HE3      ALY  12  -7.187   4.661  -0.492
  117    HE2  ALY  12           HE2      ALY  12  -6.312   5.306   0.900
  118    HD3  ALY  12           HD3      ALY  12  -4.598   3.901  -1.052
  119    HD2  ALY  12           HD2      ALY  12  -5.405   5.334  -1.705
  120    HG3  ALY  12           HG3      ALY  12  -4.388   6.776  -0.150
  121    HG2  ALY  12           HG2      ALY  12  -4.007   5.459   0.968
  122    HB3  ALY  12           HB3      ALY  12  -2.232   4.678  -0.354
  123    HB2  ALY  12           HB2      ALY  12  -2.802   5.517  -1.789
  124    HA   ALY  12           HA       ALY  12  -2.318   7.607  -0.020
  125    H    ALY  12           H        ALY  12  -0.403   6.576  -2.072
  126    H    GLN  13           H        GLN  13  -2.206   5.613   1.794
  127    HA   GLN  13           HA       GLN  13   0.569   5.808   2.736
  128    HB2  GLN  13           HB2      GLN  13  -2.037   5.444   4.213
  129    HB3  GLN  13           HB3      GLN  13  -0.468   5.266   4.985
  130    HG2  GLN  13           HG2      GLN  13  -0.051   7.489   4.979
  131    HG3  GLN  13           HG3      GLN  13  -0.930   7.762   3.476
  132   HE21  GLN  13          HE21      GLN  13  -2.728   8.870   3.677
  133   HE22  GLN  13          HE22      GLN  13  -3.724   8.958   5.086
  134    H    CYS  14           H        CYS  14   1.358   4.010   1.582
  135    HA   CYS  14           HA       CYS  14   0.271   1.477   1.440
  136    HB2  CYS  14           HB2      CYS  14   2.562   2.598   0.548
  137    HB3  CYS  14           HB3      CYS  14   3.202   1.597   1.847
  138    HN1  NH2  15           H1       CYS  14   3.122   1.564   3.911
  Start of MODEL    4
    1    H1   ACE   0           H01      ACE   0   3.219  -0.091  -1.521
    2    H2   ACE   0           H02      ACE   0   1.391  -0.651  -1.136
    3    H    TRP   1           H        TRP   1   3.388   1.816  -2.561
    4    HA   TRP   1           HA       TRP   1   0.942   3.039  -3.567
    5    HB2  TRP   1           HB2      TRP   1   3.764   3.905  -4.183
    6    HB3  TRP   1           HB3      TRP   1   2.290   4.864  -4.263
    7    HD1  TRP   1           HD1      TRP   1   1.048   4.571  -1.482
    8    HE1  TRP   1           HE1      TRP   1   2.240   5.414   0.638
    9    HE3  TRP   1           HE3      TRP   1   5.852   4.650  -3.229
   10    HZ2  TRP   1           HZ2      TRP   1   4.869   6.030   1.460
   11    HZ3  TRP   1           HZ3      TRP   1   7.646   5.380  -1.713
   12    HH2  TRP   1           HH2      TRP   1   7.163   6.056   0.583
   13    H    LYS   2           H        LYS   2   1.673   3.987  -6.006
   14    HA   LYS   2           HA       LYS   2   1.719   1.534  -7.600
   15    HB2  LYS   2           HB2      LYS   2  -0.142   3.128  -7.938
   16    HB3  LYS   2           HB3      LYS   2   1.018   4.361  -8.414
   17    HG2  LYS   2           HG2      LYS   2   1.633   3.120 -10.367
   18    HG3  LYS   2           HG3      LYS   2   0.658   1.742  -9.853
   19    HD2  LYS   2           HD2      LYS   2  -1.258   3.574  -9.845
   20    HD3  LYS   2           HD3      LYS   2  -0.185   4.347 -11.014
   21    HE2  LYS   2           HE2      LYS   2  -1.384   3.064 -12.454
   22    HE3  LYS   2           HE3      LYS   2  -0.156   1.879 -12.013
   23    HZ1  LYS   2           HZ1      LYS   2  -1.778   1.188 -10.203
   24    HZ2  LYS   2           HZ2      LYS   2  -2.944   2.077 -11.049
   25    HZ3  LYS   2           HZ3      LYS   2  -2.177   0.764 -11.792
   26    H    THR   3           H        THR   3   3.089   1.274  -9.389
   27    HA   THR   3           HA       THR   3   5.370   3.130  -9.528
   28    HB   THR   3           HB       THR   3   5.651   0.135  -9.783
   29    HG1  THR   3           HG1      THR   3   6.492   0.221  -7.658
   30   HG21  THR   3          HG21      THR   3   7.704   0.620 -10.493
   31   HG22  THR   3          HG22      THR   3   7.361   2.344 -10.351
   32   HG23  THR   3          HG23      THR   3   8.026   1.460  -8.977
   33    H    ILE   4           H        ILE   4   5.691   3.892 -11.507
   34    HA   ILE   4           HA       ILE   4   5.184   2.200 -13.827
   35    HB   ILE   4           HB       ILE   4   3.976   4.959 -13.627
   36   HG12  ILE   4          HG12      ILE   4   2.632   2.250 -13.505
   37   HG13  ILE   4          HG13      ILE   4   2.796   3.378 -12.164
   38   HG21  ILE   4          HG21      ILE   4   4.637   3.338 -15.836
   39   HG22  ILE   4          HG22      ILE   4   2.880   3.312 -15.684
   40   HG23  ILE   4          HG23      ILE   4   3.730   4.850 -15.828
   41   HD11  ILE   4          HD11      ILE   4   1.582   4.848 -14.185
   42   HD12  ILE   4          HD12      ILE   4   0.806   3.265 -14.237
   43   HD13  ILE   4          HD13      ILE   4   0.821   4.191 -12.736
   44   HH31  ALY   5          HH31      ALY   5   3.861   7.864 -13.737
   45   HH32  ALY   5          HH32      ALY   5   4.531   9.284 -12.899
   46   HH33  ALY   5          HH33      ALY   5   3.814   9.461 -14.519
   47    HZ   ALY   5           HZ       ALY   5   6.700   8.364 -16.111
   48    HE3  ALY   5           HE3      ALY   5   5.430   6.167 -15.491
   49    HE2  ALY   5           HE2      ALY   5   4.209   6.940 -16.508
   50    HD3  ALY   5           HD3      ALY   5   5.315   6.350 -18.366
   51    HD2  ALY   5           HD2      ALY   5   6.775   7.170 -17.798
   52    HG3  ALY   5           HG3      ALY   5   5.956   4.378 -16.921
   53    HG2  ALY   5           HG2      ALY   5   7.052   4.699 -18.273
   54    HB3  ALY   5           HB3      ALY   5   8.718   5.571 -16.896
   55    HB2  ALY   5           HB2      ALY   5   7.595   5.945 -15.596
   56    HA   ALY   5           HA       ALY   5   8.597   3.184 -16.396
   57    H    ALY   5           H        ALY   5   6.744   2.387 -15.288
   58    H    GLY   6           H        GLY   6   8.856   2.466 -13.642
   59    HA2  GLY   6           HA2      GLY   6  10.359   2.603 -11.909
   60    HA3  GLY   6           HA3      GLY   6  11.472   3.204 -13.130
   61   HH31  ALY   7          HH31      ALY   7  13.216   8.982 -17.328
   62   HH32  ALY   7          HH32      ALY   7  12.938  10.235 -16.094
   63   HH33  ALY   7          HH33      ALY   7  13.000   8.519 -15.623
   64    HZ   ALY   7           HZ       ALY   7  11.032   7.657 -15.420
   65    HE3  ALY   7           HE3      ALY   7  10.673  10.172 -14.370
   66    HE2  ALY   7           HE2      ALY   7   9.107   9.360 -14.292
   67    HD3  ALY   7           HD3      ALY   7  10.679   7.356 -13.383
   68    HD2  ALY   7           HD2      ALY   7  11.655   8.739 -12.868
   69    HG3  ALY   7           HG3      ALY   7  10.316   8.740 -11.043
   70    HG2  ALY   7           HG2      ALY   7   9.154   9.553 -12.103
   71    HB3  ALY   7           HB3      ALY   7   7.792   7.869 -11.462
   72    HB2  ALY   7           HB2      ALY   7   8.605   7.013 -12.764
   73    HA   ALY   7           HA       ALY   7  10.190   6.690 -10.396
   74    H    ALY   7           H        ALY   7   8.556   4.491 -11.502
   75    H    THR   8           H        THR   8   9.197   7.801  -8.686
   76    HA   THR   8           HA       THR   8   6.923   6.347  -7.507
   77    HB   THR   8           HB       THR   8   8.399   8.018  -5.639
   78    HG1  THR   8           HG1      THR   8   9.845   5.776  -6.578
   79   HG21  THR   8          HG21      THR   8   8.178   5.034  -5.527
   80   HG22  THR   8          HG22      THR   8   8.119   6.210  -4.214
   81   HG23  THR   8          HG23      THR   8   6.743   6.036  -5.304
   82    H    TRP   9           H        TRP   9   5.991   7.932  -5.631
   83    HA   TRP   9           HA       TRP   9   5.810  10.675  -6.137
   84    HB2  TRP   9           HB2      TRP   9   3.388  10.622  -7.028
   85    HB3  TRP   9           HB3      TRP   9   4.696  10.329  -8.170
   86    HD1  TRP   9           HD1      TRP   9   2.143   8.293  -6.081
   87    HE1  TRP   9           HE1      TRP   9   1.581   6.148  -7.388
   88    HE3  TRP   9           HE3      TRP   9   5.366   8.868 -10.006
   89    HZ2  TRP   9           HZ2      TRP   9   2.398   4.869  -9.769
   90    HZ3  TRP   9           HZ3      TRP   9   5.415   7.138 -11.756
   91    HH2  TRP   9           HH2      TRP   9   3.961   5.181 -11.638
   92    H    ARG  10           H        ARG  10   4.239   7.764  -4.971
   93    HA   ARG  10           HA       ARG  10   3.145   7.292  -3.033
   94    HB2  ARG  10           HB2      ARG  10   5.116   8.560  -2.077
   95    HB3  ARG  10           HB3      ARG  10   4.083   9.981  -2.037
   96    HG2  ARG  10           HG2      ARG  10   2.908   7.623  -0.771
   97    HG3  ARG  10           HG3      ARG  10   4.389   8.198  -0.004
   98    HD2  ARG  10           HD2      ARG  10   2.379  10.243  -0.734
   99    HD3  ARG  10           HD3      ARG  10   1.963   9.158   0.592
  100    HE   ARG  10           HE       ARG  10   4.572  10.195   0.943
  101   HH11  ARG  10          HH11      ARG  10   1.214  11.091   1.154
  102   HH12  ARG  10          HH12      ARG  10   1.480  12.308   2.358
  103   HH21  ARG  10          HH21      ARG  10   4.935  11.795   2.528
  104   HH22  ARG  10          HH22      ARG  10   3.597  12.709   3.138
  105    H    THR  11           H        THR  11   1.016   7.259  -3.369
  106    HA   THR  11           HA       THR  11  -0.423   9.825  -3.518
  107    HB   THR  11           HB       THR  11  -0.837   8.620  -5.518
  108    HG1  THR  11           HG1      THR  11  -2.768   9.419  -4.825
  109   HG21  THR  11          HG21      THR  11  -1.493   6.219  -3.804
  110   HG22  THR  11          HG22      THR  11  -1.613   6.297  -5.562
  111   HG23  THR  11          HG23      THR  11  -0.037   6.424  -4.779
  112   HH31  ALY  12          HH31      ALY  12  -2.760  -0.763   1.182
  113   HH32  ALY  12          HH32      ALY  12  -4.270  -1.643   0.845
  114   HH33  ALY  12          HH33      ALY  12  -3.006  -1.533  -0.403
  115    HZ   ALY  12           HZ       ALY  12  -2.920   1.192   1.016
  116    HE3  ALY  12           HE3      ALY  12  -3.938   2.549  -1.214
  117    HE2  ALY  12           HE2      ALY  12  -4.326   3.439   0.261
  118    HD3  ALY  12           HD3      ALY  12  -2.026   3.616   0.883
  119    HD2  ALY  12           HD2      ALY  12  -1.532   2.419  -0.322
  120    HG3  ALY  12           HG3      ALY  12  -0.937   4.528  -1.241
  121    HG2  ALY  12           HG2      ALY  12  -2.402   4.029  -2.101
  122    HB3  ALY  12           HB3      ALY  12  -3.385   5.928  -1.497
  123    HB2  ALY  12           HB2      ALY  12  -3.294   5.413   0.181
  124    HA   ALY  12           HA       ALY  12  -2.327   7.630  -0.013
  125    H    ALY  12           H        ALY  12  -0.422   6.591  -2.070
  126    H    GLN  13           H        GLN  13  -2.222   5.634   1.800
  127    HA   GLN  13           HA       GLN  13   0.555   5.816   2.737
  128    HB2  GLN  13           HB2      GLN  13  -2.001   5.328   4.273
  129    HB3  GLN  13           HB3      GLN  13  -0.394   5.378   4.986
  130    HG2  GLN  13           HG2      GLN  13  -0.526   7.749   3.610
  131    HG3  GLN  13           HG3      GLN  13  -2.170   7.547   4.214
  132   HE21  GLN  13          HE21      GLN  13  -0.191   9.510   4.979
  133   HE22  GLN  13          HE22      GLN  13   0.075   9.307   6.674
  134    H    CYS  14           H        CYS  14   1.327   4.023   1.555
  135    HA   CYS  14           HA       CYS  14   0.238   1.491   1.417
  136    HB2  CYS  14           HB2      CYS  14   2.464   2.567   0.428
  137    HB3  CYS  14           HB3      CYS  14   3.188   1.706   1.784
  138    HN1  NH2  15           H1       CYS  14   2.669   2.053   4.458
  Start of MODEL    5
    1    H1   ACE   0           H01      ACE   0   3.110  -0.194  -1.553
    2    H2   ACE   0           H02      ACE   0   1.284  -0.632  -1.081
    3    H    TRP   1           H        TRP   1   3.325   1.826  -2.520
    4    HA   TRP   1           HA       TRP   1   0.907   3.041  -3.585
    5    HB2  TRP   1           HB2      TRP   1   3.744   3.871  -4.184
    6    HB3  TRP   1           HB3      TRP   1   2.280   4.845  -4.287
    7    HD1  TRP   1           HD1      TRP   1   1.010   4.597  -1.515
    8    HE1  TRP   1           HE1      TRP   1   2.192   5.446   0.607
    9    HE3  TRP   1           HE3      TRP   1   5.831   4.595  -3.217
   10    HZ2  TRP   1           HZ2      TRP   1   4.822   6.037   1.449
   11    HZ3  TRP   1           HZ3      TRP   1   7.620   5.318  -1.690
   12    HH2  TRP   1           HH2      TRP   1   7.124   6.023   0.594
   13    H    LYS   2           H        LYS   2   1.668   3.958  -6.026
   14    HA   LYS   2           HA       LYS   2   1.721   1.485  -7.594
   15    HB2  LYS   2           HB2      LYS   2  -0.152   3.047  -7.958
   16    HB3  LYS   2           HB3      LYS   2   0.991   4.299  -8.428
   17    HG2  LYS   2           HG2      LYS   2   1.585   3.153 -10.402
   18    HG3  LYS   2           HG3      LYS   2   0.790   1.671  -9.869
   19    HD2  LYS   2           HD2      LYS   2  -1.297   3.361  -9.792
   20    HD3  LYS   2           HD3      LYS   2  -0.351   4.115 -11.077
   21    HE2  LYS   2           HE2      LYS   2  -0.224   1.856 -12.168
   22    HE3  LYS   2           HE3      LYS   2  -1.384   1.288 -10.968
   23    HZ1  LYS   2           HZ1      LYS   2  -2.787   3.262 -11.790
   24    HZ2  LYS   2           HZ2      LYS   2  -1.783   3.225 -13.152
   25    HZ3  LYS   2           HZ3      LYS   2  -2.711   1.869 -12.747
   26    H    THR   3           H        THR   3   3.086   1.236  -9.399
   27    HA   THR   3           HA       THR   3   5.364   3.096  -9.527
   28    HB   THR   3           HB       THR   3   5.622   0.096  -9.776
   29    HG1  THR   3           HG1      THR   3   5.771   1.810  -7.562
   30   HG21  THR   3          HG21      THR   3   7.275   1.811 -10.863
   31   HG22  THR   3          HG22      THR   3   7.857   1.997  -9.209
   32   HG23  THR   3          HG23      THR   3   7.900   0.414  -9.985
   33    H    ILE   4           H        ILE   4   5.695   3.870 -11.501
   34    HA   ILE   4           HA       ILE   4   5.177   2.200 -13.834
   35    HB   ILE   4           HB       ILE   4   3.976   4.960 -13.602
   36   HG12  ILE   4          HG12      ILE   4   2.623   2.253 -13.532
   37   HG13  ILE   4          HG13      ILE   4   2.793   3.352 -12.167
   38   HG21  ILE   4          HG21      ILE   4   4.635   3.359 -15.834
   39   HG22  ILE   4          HG22      ILE   4   2.877   3.355 -15.687
   40   HG23  ILE   4          HG23      ILE   4   3.749   4.884 -15.807
   41   HD11  ILE   4          HD11      ILE   4   0.940   3.437 -14.454
   42   HD12  ILE   4          HD12      ILE   4   0.703   3.922 -12.776
   43   HD13  ILE   4          HD13      ILE   4   1.567   4.985 -13.886
   44   HH31  ALY   5          HH31      ALY   5   3.851   9.329 -16.450
   45   HH32  ALY   5          HH32      ALY   5   3.091   8.987 -14.875
   46   HH33  ALY   5          HH33      ALY   5   3.907  10.546 -15.153
   47    HZ   ALY   5           HZ       ALY   5   6.767   7.874 -15.265
   48    HE3  ALY   5           HE3      ALY   5   5.316   6.106 -15.582
   49    HE2  ALY   5           HE2      ALY   5   4.288   7.098 -16.620
   50    HD3  ALY   5           HD3      ALY   5   5.389   6.305 -18.404
   51    HD2  ALY   5           HD2      ALY   5   6.845   7.126 -17.828
   52    HG3  ALY   5           HG3      ALY   5   5.991   4.359 -16.910
   53    HG2  ALY   5           HG2      ALY   5   7.113   4.646 -18.249
   54    HB3  ALY   5           HB3      ALY   5   8.756   5.554 -16.855
   55    HB2  ALY   5           HB2      ALY   5   7.610   5.926 -15.575
   56    HA   ALY   5           HA       ALY   5   8.635   3.165 -16.348
   57    H    ALY   5           H        ALY   5   6.783   2.362 -15.241
   58    H    GLY   6           H        GLY   6   8.866   2.468 -13.584
   59    HA2  GLY   6           HA2      GLY   6  10.350   2.622 -11.836
   60    HA3  GLY   6           HA3      GLY   6  11.474   3.212 -13.052
   61   HH31  ALY   7          HH31      ALY   7  10.051  13.159 -16.461
   62   HH32  ALY   7          HH32      ALY   7   8.694  12.535 -15.493
   63   HH33  ALY   7          HH33      ALY   7  10.304  12.719 -14.757
   64    HZ   ALY   7           HZ       ALY   7  11.004  10.900 -14.426
   65    HE3  ALY   7           HE3      ALY   7   8.884   9.736 -14.055
   66    HE2  ALY   7           HE2      ALY   7   9.490   8.480 -15.137
   67    HD3  ALY   7           HD3      ALY   7  10.684   7.535 -13.489
   68    HD2  ALY   7           HD2      ALY   7  11.471   9.073 -13.107
   69    HG3  ALY   7           HG3      ALY   7  10.373   8.703 -11.117
   70    HG2  ALY   7           HG2      ALY   7   9.125   9.615 -11.981
   71    HB3  ALY   7           HB3      ALY   7   7.762   7.900 -11.539
   72    HB2  ALY   7           HB2      ALY   7   8.626   7.046 -12.809
   73    HA   ALY   7           HA       ALY   7  10.149   6.745 -10.406
   74    H    ALY   7           H        ALY   7   8.521   4.548 -11.541
   75    H    THR   8           H        THR   8   9.278   7.689  -8.611
   76    HA   THR   8           HA       THR   8   6.926   6.320  -7.498
   77    HB   THR   8           HB       THR   8   8.382   7.973  -5.605
   78    HG1  THR   8           HG1      THR   8  10.353   7.137  -5.796
   79   HG21  THR   8          HG21      THR   8   8.339   5.020  -5.394
   80   HG22  THR   8          HG22      THR   8   7.928   6.249  -4.197
   81   HG23  THR   8          HG23      THR   8   6.772   5.828  -5.460
   82    H    TRP   9           H        TRP   9   6.006   7.917  -5.616
   83    HA   TRP   9           HA       TRP   9   5.839  10.660  -6.133
   84    HB2  TRP   9           HB2      TRP   9   3.417  10.619  -7.024
   85    HB3  TRP   9           HB3      TRP   9   4.725  10.312  -8.164
   86    HD1  TRP   9           HD1      TRP   9   2.158   8.301  -6.067
   87    HE1  TRP   9           HE1      TRP   9   1.582   6.155  -7.366
   88    HE3  TRP   9           HE3      TRP   9   5.383   8.840  -9.997
   89    HZ2  TRP   9           HZ2      TRP   9   2.388   4.862  -9.742
   90    HZ3  TRP   9           HZ3      TRP   9   5.419   7.104 -11.739
   91    HH2  TRP   9           HH2      TRP   9   3.952   5.156 -11.612
   92    H    ARG  10           H        ARG  10   4.253   7.761  -4.956
   93    HA   ARG  10           HA       ARG  10   3.157   7.302  -3.017
   94    HB2  ARG  10           HB2      ARG  10   5.135   8.561  -2.064
   95    HB3  ARG  10           HB3      ARG  10   4.110   9.990  -2.030
   96    HG2  ARG  10           HG2      ARG  10   2.916   7.647  -0.755
   97    HG3  ARG  10           HG3      ARG  10   4.404   8.210   0.009
   98    HD2  ARG  10           HD2      ARG  10   2.501  10.327  -0.717
   99    HD3  ARG  10           HD3      ARG  10   1.930   9.207   0.520
  100    HE   ARG  10           HE       ARG  10   3.957  11.203   0.809
  101   HH11  ARG  10          HH11      ARG  10   2.875   8.092   1.939
  102   HH12  ARG  10          HH12      ARG  10   3.643   8.242   3.485
  103   HH21  ARG  10          HH21      ARG  10   4.972  11.411   2.840
  104   HH22  ARG  10          HH22      ARG  10   4.835  10.130   3.997
  105    H    THR  11           H        THR  11   1.028   7.279  -3.361
  106    HA   THR  11           HA       THR  11  -0.398   9.854  -3.496
  107    HB   THR  11           HB       THR  11  -0.800   8.679  -5.517
  108    HG1  THR  11           HG1      THR  11  -2.816   9.231  -5.210
  109   HG21  THR  11          HG21      THR  11  -0.020   6.468  -4.790
  110   HG22  THR  11          HG22      THR  11  -1.497   6.260  -3.847
  111   HG23  THR  11          HG23      THR  11  -1.580   6.365  -5.605
  112   HH31  ALY  12          HH31      ALY  12  -8.255   5.409  -1.239
  113   HH32  ALY  12          HH32      ALY  12  -8.951   5.029  -2.832
  114   HH33  ALY  12          HH33      ALY  12  -9.590   4.241  -1.370
  115    HZ   ALY  12           HZ       ALY  12  -6.761   3.995  -3.586
  116    HE3  ALY  12           HE3      ALY  12  -4.941   5.227  -2.872
  117    HE2  ALY  12           HE2      ALY  12  -6.349   5.841  -2.000
  118    HD3  ALY  12           HD3      ALY  12  -5.779   4.463  -0.050
  119    HD2  ALY  12           HD2      ALY  12  -4.406   3.764  -0.921
  120    HG3  ALY  12           HG3      ALY  12  -4.509   6.740  -0.774
  121    HG2  ALY  12           HG2      ALY  12  -4.194   5.892   0.747
  122    HB3  ALY  12           HB3      ALY  12  -2.319   4.707  -0.259
  123    HB2  ALY  12           HB2      ALY  12  -2.671   5.412  -1.831
  124    HA   ALY  12           HA       ALY  12  -2.366   7.606  -0.058
  125    H    ALY  12           H        ALY  12  -0.429   6.597  -2.101
  126    H    GLN  13           H        GLN  13  -2.251   5.609   1.753
  127    HA   GLN  13           HA       GLN  13   0.507   5.839   2.732
  128    HB2  GLN  13           HB2      GLN  13  -2.156   5.671   4.078
  129    HB3  GLN  13           HB3      GLN  13  -0.732   5.096   4.936
  130    HG2  GLN  13           HG2      GLN  13  -0.381   7.721   3.714
  131    HG3  GLN  13           HG3      GLN  13  -1.660   7.663   4.926
  132   HE21  GLN  13          HE21      GLN  13   1.743   7.028   4.341
  133   HE22  GLN  13          HE22      GLN  13   2.247   7.181   5.987
  134    H    CYS  14           H        CYS  14   1.282   4.049   1.518
  135    HA   CYS  14           HA       CYS  14   0.229   1.500   1.415
  136    HB2  CYS  14           HB2      CYS  14   2.440   2.620   0.404
  137    HB3  CYS  14           HB3      CYS  14   3.177   1.728   1.732
  138    HN1  NH2  15           H1       CYS  14   0.859   1.706   5.215
  Start of MODEL    6
    1    H1   ACE   0           H01      ACE   0   3.039  -0.247  -1.619
    2    H2   ACE   0           H02      ACE   0   1.209  -0.679  -1.163
    3    H    TRP   1           H        TRP   1   3.273   1.777  -2.567
    4    HA   TRP   1           HA       TRP   1   0.868   3.025  -3.624
    5    HB2  TRP   1           HB2      TRP   1   3.714   3.840  -4.201
    6    HB3  TRP   1           HB3      TRP   1   2.258   4.826  -4.300
    7    HD1  TRP   1           HD1      TRP   1   0.971   4.557  -1.538
    8    HE1  TRP   1           HE1      TRP   1   2.148   5.374   0.601
    9    HE3  TRP   1           HE3      TRP   1   5.801   4.541  -3.216
   10    HZ2  TRP   1           HZ2      TRP   1   4.777   5.939   1.461
   11    HZ3  TRP   1           HZ3      TRP   1   7.587   5.235  -1.671
   12    HH2  TRP   1           HH2      TRP   1   7.083   5.919   0.617
   13    H    LYS   2           H        LYS   2   1.645   3.966  -6.051
   14    HA   LYS   2           HA       LYS   2   1.683   1.511  -7.648
   15    HB2  LYS   2           HB2      LYS   2  -0.175   3.095  -8.003
   16    HB3  LYS   2           HB3      LYS   2   0.982   4.342  -8.451
   17    HG2  LYS   2           HG2      LYS   2   1.596   3.186 -10.427
   18    HG3  LYS   2           HG3      LYS   2   0.726   1.734  -9.924
   19    HD2  LYS   2           HD2      LYS   2  -1.336   3.348  -9.893
   20    HD3  LYS   2           HD3      LYS   2  -0.335   4.323 -10.971
   21    HE2  LYS   2           HE2      LYS   2  -1.677   2.926 -12.344
   22    HE3  LYS   2           HE3      LYS   2  -0.042   2.269 -12.388
   23    HZ1  LYS   2           HZ1      LYS   2  -0.791   0.708 -10.593
   24    HZ2  LYS   2           HZ2      LYS   2  -2.374   1.225 -10.888
   25    HZ3  LYS   2           HZ3      LYS   2  -1.494   0.454 -12.110
   26    H    THR   3           H        THR   3   3.056   1.269  -9.446
   27    HA   THR   3           HA       THR   3   5.349   3.112  -9.548
   28    HB   THR   3           HB       THR   3   5.559   0.105  -9.780
   29    HG1  THR   3           HG1      THR   3   6.570   1.684  -7.654
   30   HG21  THR   3          HG21      THR   3   7.660   2.271  -9.640
   31   HG22  THR   3          HG22      THR   3   7.981   0.537  -9.634
   32   HG23  THR   3          HG23      THR   3   7.259   1.295 -11.053
   33    H    ILE   4           H        ILE   4   5.683   3.906 -11.512
   34    HA   ILE   4           HA       ILE   4   5.169   2.257 -13.862
   35    HB   ILE   4           HB       ILE   4   3.988   5.024 -13.622
   36   HG12  ILE   4          HG12      ILE   4   2.594   2.338 -13.573
   37   HG13  ILE   4          HG13      ILE   4   2.806   3.399 -12.185
   38   HG21  ILE   4          HG21      ILE   4   2.897   3.391 -15.706
   39   HG22  ILE   4          HG22      ILE   4   3.715   4.950 -15.823
   40   HG23  ILE   4          HG23      ILE   4   4.653   3.456 -15.855
   41   HD11  ILE   4          HD11      ILE   4   1.583   4.851 -14.321
   42   HD12  ILE   4          HD12      ILE   4   0.691   3.359 -14.019
   43   HD13  ILE   4          HD13      ILE   4   0.967   4.505 -12.705
   44   HH31  ALY   5          HH31      ALY   5   7.494   9.172 -14.273
   45   HH32  ALY   5          HH32      ALY   5   6.461   9.225 -12.825
   46   HH33  ALY   5          HH33      ALY   5   6.857   7.663 -13.581
   47    HZ   ALY   5           HZ       ALY   5   6.507   8.623 -16.176
   48    HE3  ALY   5           HE3      ALY   5   5.594   6.336 -15.434
   49    HE2  ALY   5           HE2      ALY   5   4.238   6.818 -16.457
   50    HD3  ALY   5           HD3      ALY   5   5.399   6.464 -18.363
   51    HD2  ALY   5           HD2      ALY   5   6.844   7.269 -17.737
   52    HG3  ALY   5           HG3      ALY   5   6.000   4.462 -16.939
   53    HG2  ALY   5           HG2      ALY   5   7.123   4.806 -18.263
   54    HB3  ALY   5           HB3      ALY   5   8.764   5.647 -16.835
   55    HB2  ALY   5           HB2      ALY   5   7.616   5.996 -15.551
   56    HA   ALY   5           HA       ALY   5   8.613   3.246 -16.389
   57    H    ALY   5           H        ALY   5   6.753   2.444 -15.297
   58    H    GLY   6           H        GLY   6   8.847   2.484 -13.641
   59    HA2  GLY   6           HA2      GLY   6  10.340   2.582 -11.897
   60    HA3  GLY   6           HA3      GLY   6  11.467   3.182 -13.105
   61   HH31  ALY   7          HH31      ALY   7  12.180  12.216 -17.002
   62   HH32  ALY   7          HH32      ALY   7  12.686  10.510 -17.061
   63   HH33  ALY   7          HH33      ALY   7  11.145  11.009 -17.799
   64    HZ   ALY   7           HZ       ALY   7  12.090   9.639 -14.678
   65    HE3  ALY   7           HE3      ALY   7   9.467   9.910 -14.012
   66    HE2  ALY   7           HE2      ALY   7   9.573   8.355 -14.843
   67    HD3  ALY   7           HD3      ALY   7  10.880   7.404 -13.209
   68    HD2  ALY   7           HD2      ALY   7  11.674   8.931 -12.801
   69    HG3  ALY   7           HG3      ALY   7  10.363   8.709 -10.931
   70    HG2  ALY   7           HG2      ALY   7   9.214   9.566 -11.969
   71    HB3  ALY   7           HB3      ALY   7   7.833   7.866 -11.435
   72    HB2  ALY   7           HB2      ALY   7   8.689   7.036 -12.728
   73    HA   ALY   7           HA       ALY   7  10.210   6.652 -10.337
   74    H    ALY   7           H        ALY   7   8.554   4.494 -11.492
   75    H    THR   8           H        THR   8   9.245   7.719  -8.601
   76    HA   THR   8           HA       THR   8   6.923   6.299  -7.477
   77    HB   THR   8           HB       THR   8   8.375   7.921  -5.560
   78    HG1  THR   8           HG1      THR   8  10.353   7.159  -5.811
   79   HG21  THR   8          HG21      THR   8   6.741   5.881  -5.338
   80   HG22  THR   8          HG22      THR   8   8.222   4.938  -5.500
   81   HG23  THR   8          HG23      THR   8   8.055   6.098  -4.183
   82    H    TRP   9           H        TRP   9   6.006   7.884  -5.583
   83    HA   TRP   9           HA       TRP   9   5.859  10.632  -6.072
   84    HB2  TRP   9           HB2      TRP   9   3.441  10.617  -6.974
   85    HB3  TRP   9           HB3      TRP   9   4.752  10.315  -8.113
   86    HD1  TRP   9           HD1      TRP   9   2.166   8.295  -6.045
   87    HE1  TRP   9           HE1      TRP   9   1.580   6.168  -7.371
   88    HE3  TRP   9           HE3      TRP   9   5.405   8.861  -9.960
   89    HZ2  TRP   9           HZ2      TRP   9   2.386   4.897  -9.760
   90    HZ3  TRP   9           HZ3      TRP   9   5.436   7.144 -11.723
   91    HH2  TRP   9           HH2      TRP   9   3.957   5.205 -11.623
   92    H    ARG  10           H        ARG  10   4.251   7.732  -4.932
   93    HA   ARG  10           HA       ARG  10   3.143   7.260  -3.003
   94    HB2  ARG  10           HB2      ARG  10   5.124   8.497  -2.028
   95    HB3  ARG  10           HB3      ARG  10   4.108   9.931  -1.985
   96    HG2  ARG  10           HG2      ARG  10   2.893   7.585  -0.739
   97    HG3  ARG  10           HG3      ARG  10   4.381   8.129   0.038
   98    HD2  ARG  10           HD2      ARG  10   1.958   9.826  -0.550
   99    HD3  ARG  10           HD3      ARG  10   2.424   9.198   1.029
  100    HE   ARG  10           HE       ARG  10   4.513  10.740  -0.125
  101   HH11  ARG  10          HH11      ARG  10   1.446  11.000   1.503
  102   HH12  ARG  10          HH12      ARG  10   1.785  12.563   2.169
  103   HH21  ARG  10          HH21      ARG  10   4.971  12.797   0.748
  104   HH22  ARG  10          HH22      ARG  10   3.790  13.584   1.739
  105    H    THR  11           H        THR  11   1.015   7.254  -3.358
  106    HA   THR  11           HA       THR  11  -0.394   9.839  -3.471
  107    HB   THR  11           HB       THR  11  -0.794   8.689  -5.507
  108    HG1  THR  11           HG1      THR  11  -3.113   8.023  -5.132
  109   HG21  THR  11          HG21      THR  11  -1.588   6.381  -5.626
  110   HG22  THR  11          HG22      THR  11  -0.032   6.465  -4.800
  111   HG23  THR  11          HG23      THR  11  -1.515   6.257  -3.868
  112   HH31  ALY  12          HH31      ALY  12  -9.847   7.202  -2.420
  113   HH32  ALY  12          HH32      ALY  12  -9.113   5.729  -3.098
  114   HH33  ALY  12          HH33      ALY  12 -10.458   5.602  -1.940
  115    HZ   ALY  12           HZ       ALY  12  -6.825   6.571  -1.602
  116    HE3  ALY  12           HE3      ALY  12  -6.500   5.464   0.552
  117    HE2  ALY  12           HE2      ALY  12  -6.992   3.965  -0.244
  118    HD3  ALY  12           HD3      ALY  12  -4.778   3.694  -0.635
  119    HD2  ALY  12           HD2      ALY  12  -5.043   4.839  -1.957
  120    HG3  ALY  12           HG3      ALY  12  -4.491   6.709  -0.373
  121    HG2  ALY  12           HG2      ALY  12  -4.096   5.499   0.857
  122    HB3  ALY  12           HB3      ALY  12  -2.285   4.642  -0.420
  123    HB2  ALY  12           HB2      ALY  12  -2.809   5.478  -1.875
  124    HA   ALY  12           HA       ALY  12  -2.395   7.563  -0.070
  125    H    ALY  12           H        ALY  12  -0.452   6.566  -2.114
  126    H    GLN  13           H        GLN  13  -2.300   5.548   1.721
  127    HA   GLN  13           HA       GLN  13   0.456   5.755   2.718
  128    HB2  GLN  13           HB2      GLN  13  -2.157   5.306   4.163
  129    HB3  GLN  13           HB3      GLN  13  -0.584   5.223   4.944
  130    HG2  GLN  13           HG2      GLN  13  -0.166   7.528   4.521
  131    HG3  GLN  13           HG3      GLN  13  -1.588   7.652   3.486
  132   HE21  GLN  13          HE21      GLN  13  -1.780   9.494   5.133
  133   HE22  GLN  13          HE22      GLN  13  -2.730   9.149   6.533
  134    H    CYS  14           H        CYS  14   1.225   3.971   1.487
  135    HA   CYS  14           HA       CYS  14   0.157   1.430   1.360
  136    HB2  CYS  14           HB2      CYS  14   2.380   2.548   0.369
  137    HB3  CYS  14           HB3      CYS  14   3.105   1.634   1.688
  138    HN1  NH2  15           H1       CYS  14  -0.765   0.790   3.460
  Start of MODEL    7
    1    H1   ACE   0           H01      ACE   0   3.074  -0.258  -1.627
    2    H2   ACE   0           H02      ACE   0   1.253  -0.729  -1.199
    3    H    TRP   1           H        TRP   1   3.298   1.746  -2.591
    4    HA   TRP   1           HA       TRP   1   0.887   3.006  -3.623
    5    HB2  TRP   1           HB2      TRP   1   3.731   3.823  -4.209
    6    HB3  TRP   1           HB3      TRP   1   2.275   4.810  -4.296
    7    HD1  TRP   1           HD1      TRP   1   1.000   4.523  -1.529
    8    HE1  TRP   1           HE1      TRP   1   2.188   5.327   0.608
    9    HE3  TRP   1           HE3      TRP   1   5.822   4.519  -3.229
   10    HZ2  TRP   1           HZ2      TRP   1   4.821   5.888   1.460
   11    HZ3  TRP   1           HZ3      TRP   1   7.616   5.204  -1.690
   12    HH2  TRP   1           HH2      TRP   1   7.124   5.873   0.605
   13    H    LYS   2           H        LYS   2   1.655   3.960  -6.050
   14    HA   LYS   2           HA       LYS   2   1.680   1.515  -7.661
   15    HB2  LYS   2           HB2      LYS   2  -0.168   3.128  -7.990
   16    HB3  LYS   2           HB3      LYS   2   1.003   4.352  -8.461
   17    HG2  LYS   2           HG2      LYS   2   1.098   3.592 -10.545
   18    HG3  LYS   2           HG3      LYS   2   1.302   1.923 -10.008
   19    HD2  LYS   2           HD2      LYS   2  -1.230   2.038  -9.478
   20    HD3  LYS   2           HD3      LYS   2  -1.224   3.441 -10.548
   21    HE2  LYS   2           HE2      LYS   2  -0.504   2.154 -12.391
   22    HE3  LYS   2           HE3      LYS   2  -0.070   0.788 -11.365
   23    HZ1  LYS   2           HZ1      LYS   2  -2.078   0.157 -12.296
   24    HZ2  LYS   2           HZ2      LYS   2  -2.552   0.761 -10.789
   25    HZ3  LYS   2           HZ3      LYS   2  -2.753   1.703 -12.180
   26    H    THR   3           H        THR   3   3.052   1.266  -9.454
   27    HA   THR   3           HA       THR   3   5.351   3.104  -9.559
   28    HB   THR   3           HB       THR   3   5.563   0.099  -9.810
   29    HG1  THR   3           HG1      THR   3   6.771   0.521  -7.719
   30   HG21  THR   3          HG21      THR   3   7.983   0.540  -9.617
   31   HG22  THR   3          HG22      THR   3   7.278   1.304 -11.042
   32   HG23  THR   3          HG23      THR   3   7.653   2.273  -9.616
   33    H    ILE   4           H        ILE   4   5.686   3.896 -11.524
   34    HA   ILE   4           HA       ILE   4   5.164   2.248 -13.873
   35    HB   ILE   4           HB       ILE   4   3.991   5.018 -13.630
   36   HG12  ILE   4          HG12      ILE   4   2.611   2.326 -13.553
   37   HG13  ILE   4          HG13      ILE   4   2.787   3.430 -12.195
   38   HG21  ILE   4          HG21      ILE   4   3.756   4.947 -15.835
   39   HG22  ILE   4          HG22      ILE   4   4.631   3.416 -15.864
   40   HG23  ILE   4          HG23      ILE   4   2.873   3.425 -15.715
   41   HD11  ILE   4          HD11      ILE   4   1.569   5.080 -13.868
   42   HD12  ILE   4          HD12      ILE   4   0.970   3.556 -14.523
   43   HD13  ILE   4          HD13      ILE   4   0.682   3.962 -12.831
   44   HH31  ALY   5          HH31      ALY   5   4.253  10.008 -16.231
   45   HH32  ALY   5          HH32      ALY   5   3.220   9.066 -15.130
   46   HH33  ALY   5          HH33      ALY   5   4.018  10.550 -14.554
   47    HZ   ALY   5           HZ       ALY   5   6.851   7.930 -15.341
   48    HE3  ALY   5           HE3      ALY   5   5.339   6.157 -15.586
   49    HE2  ALY   5           HE2      ALY   5   4.319   7.163 -16.619
   50    HD3  ALY   5           HD3      ALY   5   5.418   6.376 -18.407
   51    HD2  ALY   5           HD2      ALY   5   6.879   7.184 -17.823
   52    HG3  ALY   5           HG3      ALY   5   6.007   4.415 -16.925
   53    HG2  ALY   5           HG2      ALY   5   7.130   4.704 -18.262
   54    HB3  ALY   5           HB3      ALY   5   8.780   5.587 -16.865
   55    HB2  ALY   5           HB2      ALY   5   7.637   5.966 -15.583
   56    HA   ALY   5           HA       ALY   5   8.642   3.200 -16.363
   57    H    ALY   5           H        ALY   5   6.778   2.407 -15.273
   58    H    GLY   6           H        GLY   6   8.854   2.488 -13.601
   59    HA2  GLY   6           HA2      GLY   6  10.332   2.624 -11.847
   60    HA3  GLY   6           HA3      GLY   6  11.465   3.213 -13.053
   61   HH31  ALY   7          HH31      ALY   7  13.807  10.536 -15.828
   62   HH32  ALY   7          HH32      ALY   7  14.684   9.079 -16.356
   63   HH33  ALY   7          HH33      ALY   7  13.183   9.561 -17.180
   64    HZ   ALY   7           HZ       ALY   7  11.332   7.728 -15.677
   65    HE3  ALY   7           HE3      ALY   7  10.840  10.166 -14.100
   66    HE2  ALY   7           HE2      ALY   7   9.596   9.063 -14.697
   67    HD3  ALY   7           HD3      ALY   7  10.662   7.222 -13.362
   68    HD2  ALY   7           HD2      ALY   7  11.783   8.412 -12.688
   69    HG3  ALY   7           HG3      ALY   7  10.264   8.847 -11.095
   70    HG2  ALY   7           HG2      ALY   7   9.229   9.547 -12.349
   71    HB3  ALY   7           HB3      ALY   7   7.803   7.970 -11.499
   72    HB2  ALY   7           HB2      ALY   7   8.559   7.051 -12.794
   73    HA   ALY   7           HA       ALY   7  10.146   6.745 -10.405
   74    H    ALY   7           H        ALY   7   8.509   4.565 -11.562
   75    H    THR   8           H        THR   8   9.323   7.611  -8.571
   76    HA   THR   8           HA       THR   8   6.942   6.277  -7.487
   77    HB   THR   8           HB       THR   8   8.414   7.893  -5.575
   78    HG1  THR   8           HG1      THR   8  10.359   7.374  -6.223
   79   HG21  THR   8          HG21      THR   8   8.257   4.917  -5.481
   80   HG22  THR   8          HG22      THR   8   8.046   6.097  -4.188
   81   HG23  THR   8          HG23      THR   8   6.762   5.845  -5.370
   82    H    TRP   9           H        TRP   9   6.030   7.856  -5.589
   83    HA   TRP   9           HA       TRP   9   5.892  10.607  -6.065
   84    HB2  TRP   9           HB2      TRP   9   3.474  10.603  -6.967
   85    HB3  TRP   9           HB3      TRP   9   4.782  10.302  -8.106
   86    HD1  TRP   9           HD1      TRP   9   2.190   8.281  -6.049
   87    HE1  TRP   9           HE1      TRP   9   1.600   6.161  -7.385
   88    HE3  TRP   9           HE3      TRP   9   5.434   8.854  -9.959
   89    HZ2  TRP   9           HZ2      TRP   9   2.402   4.899  -9.779
   90    HZ3  TRP   9           HZ3      TRP   9   5.460   7.146 -11.730
   91    HH2  TRP   9           HH2      TRP   9   3.976   5.210 -11.639
   92    H    ARG  10           H        ARG  10   4.274   7.707  -4.939
   93    HA   ARG  10           HA       ARG  10   3.166   7.229  -3.010
   94    HB2  ARG  10           HB2      ARG  10   5.151   8.457  -2.033
   95    HB3  ARG  10           HB3      ARG  10   4.137   9.894  -1.981
   96    HG2  ARG  10           HG2      ARG  10   2.921   7.541  -0.745
   97    HG3  ARG  10           HG3      ARG  10   4.410   8.081   0.033
   98    HD2  ARG  10           HD2      ARG  10   2.335  10.098  -0.678
   99    HD3  ARG  10           HD3      ARG  10   2.076   9.070   0.731
  100    HE   ARG  10           HE       ARG  10   4.665  10.240   0.770
  101   HH11  ARG  10          HH11      ARG  10   1.302  10.928   1.346
  102   HH12  ARG  10          HH12      ARG  10   1.620  12.190   2.490
  103   HH21  ARG  10          HH21      ARG  10   5.099  11.899   2.274
  104   HH22  ARG  10          HH22      ARG  10   3.781  12.742   3.016
  105    H    THR  11           H        THR  11   1.038   7.231  -3.357
  106    HA   THR  11           HA       THR  11  -0.364   9.819  -3.468
  107    HB   THR  11           HB       THR  11  -0.774   8.666  -5.501
  108    HG1  THR  11           HG1      THR  11  -2.672   9.523  -4.554
  109   HG21  THR  11          HG21      THR  11  -1.577   6.359  -5.609
  110   HG22  THR  11          HG22      THR  11  -0.015   6.441  -4.794
  111   HG23  THR  11          HG23      THR  11  -1.492   6.238  -3.852
  112   HH31  ALY  12          HH31      ALY  12  -9.114   4.414  -3.901
  113   HH32  ALY  12          HH32      ALY  12  -8.815   5.547  -5.240
  114   HH33  ALY  12          HH33      ALY  12  -8.273   3.857  -5.366
  115    HZ   ALY  12           HZ       ALY  12  -7.610   4.172  -2.500
  116    HE3  ALY  12           HE3      ALY  12  -5.816   4.069  -1.192
  117    HE2  ALY  12           HE2      ALY  12  -5.018   4.213  -2.761
  118    HD3  ALY  12           HD3      ALY  12  -4.427   6.418  -2.425
  119    HD2  ALY  12           HD2      ALY  12  -5.814   6.746  -1.378
  120    HG3  ALY  12           HG3      ALY  12  -4.219   6.700   0.253
  121    HG2  ALY  12           HG2      ALY  12  -4.528   4.958   0.181
  122    HB3  ALY  12           HB3      ALY  12  -2.365   4.671  -0.265
  123    HB2  ALY  12           HB2      ALY  12  -2.674   5.379  -1.845
  124    HA   ALY  12           HA       ALY  12  -2.350   7.561  -0.048
  125    H    ALY  12           H        ALY  12  -0.426   6.550  -2.102
  126    H    GLN  13           H        GLN  13  -2.266   5.540   1.737
  127    HA   GLN  13           HA       GLN  13   0.497   5.712   2.717
  128    HB2  GLN  13           HB2      GLN  13  -2.167   5.558   4.067
  129    HB3  GLN  13           HB3      GLN  13  -0.744   4.967   4.913
  130    HG2  GLN  13           HG2      GLN  13  -0.013   7.459   3.894
  131    HG3  GLN  13           HG3      GLN  13  -1.650   7.663   4.515
  132   HE21  GLN  13          HE21      GLN  13   1.028   8.598   5.457
  133   HE22  GLN  13          HE22      GLN  13   1.108   8.105   7.111
  134    H    CYS  14           H        CYS  14   1.264   3.929   1.502
  135    HA   CYS  14           HA       CYS  14   0.172   1.400   1.343
  136    HB2  CYS  14           HB2      CYS  14   2.426   2.508   0.398
  137    HB3  CYS  14           HB3      CYS  14   3.116   1.556   1.710
  138    HN1  NH2  15           H1       CYS  14  -0.299  -0.160   3.371
  Start of MODEL    8
    1    H1   ACE   0           H01      ACE   0   3.096  -0.255  -1.618
    2    H2   ACE   0           H02      ACE   0   1.276  -0.728  -1.186
    3    H    TRP   1           H        TRP   1   3.315   1.751  -2.579
    4    HA   TRP   1           HA       TRP   1   0.900   3.003  -3.614
    5    HB2  TRP   1           HB2      TRP   1   3.742   3.829  -4.199
    6    HB3  TRP   1           HB3      TRP   1   2.283   4.811  -4.288
    7    HD1  TRP   1           HD1      TRP   1   1.009   4.522  -1.521
    8    HE1  TRP   1           HE1      TRP   1   2.192   5.333   0.616
    9    HE3  TRP   1           HE3      TRP   1   5.831   4.533  -3.219
   10    HZ2  TRP   1           HZ2      TRP   1   4.822   5.902   1.469
   11    HZ3  TRP   1           HZ3      TRP   1   7.621   5.225  -1.680
   12    HH2  TRP   1           HH2      TRP   1   7.126   5.895   0.615
   13    H    LYS   2           H        LYS   2   1.664   3.958  -6.039
   14    HA   LYS   2           HA       LYS   2   1.698   1.514  -7.650
   15    HB2  LYS   2           HB2      LYS   2  -0.156   3.120  -7.979
   16    HB3  LYS   2           HB3      LYS   2   1.010   4.348  -8.453
   17    HG2  LYS   2           HG2      LYS   2   1.106   3.582 -10.535
   18    HG3  LYS   2           HG3      LYS   2   1.314   1.915  -9.996
   19    HD2  LYS   2           HD2      LYS   2  -1.233   2.076  -9.447
   20    HD3  LYS   2           HD3      LYS   2  -1.200   3.424 -10.587
   21    HE2  LYS   2           HE2      LYS   2  -1.178   2.026 -12.314
   22    HE3  LYS   2           HE3      LYS   2   0.236   1.190 -11.671
   23    HZ1  LYS   2           HZ1      LYS   2  -1.132  -0.268 -10.438
   24    HZ2  LYS   2           HZ2      LYS   2  -2.525   0.643 -10.742
   25    HZ3  LYS   2           HZ3      LYS   2  -1.787  -0.218 -11.998
   26    H    THR   3           H        THR   3   3.069   1.271  -9.446
   27    HA   THR   3           HA       THR   3   5.360   3.117  -9.553
   28    HB   THR   3           HB       THR   3   5.600   0.117  -9.821
   29    HG1  THR   3           HG1      THR   3   6.142   0.052  -7.724
   30   HG21  THR   3          HG21      THR   3   8.039   0.689  -9.444
   31   HG22  THR   3          HG22      THR   3   7.363   1.191 -10.994
   32   HG23  THR   3          HG23      THR   3   7.593   2.375  -9.706
   33    H    ILE   4           H        ILE   4   5.697   3.904 -11.520
   34    HA   ILE   4           HA       ILE   4   5.177   2.251 -13.866
   35    HB   ILE   4           HB       ILE   4   3.996   5.020 -13.625
   36   HG12  ILE   4          HG12      ILE   4   2.626   2.323 -13.551
   37   HG13  ILE   4          HG13      ILE   4   2.797   3.427 -12.192
   38   HG21  ILE   4          HG21      ILE   4   3.738   4.948 -15.828
   39   HG22  ILE   4          HG22      ILE   4   4.656   3.443 -15.860
   40   HG23  ILE   4          HG23      ILE   4   2.899   3.402 -15.713
   41   HD11  ILE   4          HD11      ILE   4   0.711   4.005 -12.810
   42   HD12  ILE   4          HD12      ILE   4   1.584   5.057 -13.924
   43   HD13  ILE   4          HD13      ILE   4   0.951   3.510 -14.486
   44   HH31  ALY   5          HH31      ALY   5   3.994   9.778 -16.506
   45   HH32  ALY   5          HH32      ALY   5   3.006   9.060 -15.211
   46   HH33  ALY   5          HH33      ALY   5   3.790  10.638 -14.963
   47    HZ   ALY   5           HZ       ALY   5   6.686   7.996 -15.264
   48    HE3  ALY   5           HE3      ALY   5   5.291   6.189 -15.609
   49    HE2  ALY   5           HE2      ALY   5   4.240   7.160 -16.644
   50    HD3  ALY   5           HD3      ALY   5   5.381   6.455 -18.438
   51    HD2  ALY   5           HD2      ALY   5   6.828   7.259 -17.813
   52    HG3  ALY   5           HG3      ALY   5   5.962   4.472 -16.972
   53    HG2  ALY   5           HG2      ALY   5   7.085   4.783 -18.304
   54    HB3  ALY   5           HB3      ALY   5   8.731   5.653 -16.894
   55    HB2  ALY   5           HB2      ALY   5   7.587   6.007 -15.606
   56    HA   ALY   5           HA       ALY   5   8.590   3.253 -16.432
   57    H    ALY   5           H        ALY   5   6.713   2.468 -15.355
   58    H    GLY   6           H        GLY   6   8.834   2.507 -13.681
   59    HA2  GLY   6           HA2      GLY   6  10.333   2.619 -11.943
   60    HA3  GLY   6           HA3      GLY   6  11.454   3.218 -13.157
   61   HH31  ALY   7          HH31      ALY   7  13.273   7.127 -16.767
   62   HH32  ALY   7          HH32      ALY   7  11.819   6.217 -16.292
   63   HH33  ALY   7          HH33      ALY   7  11.811   7.197 -17.777
   64    HZ   ALY   7           HZ       ALY   7  10.169   7.318 -15.502
   65    HE3  ALY   7           HE3      ALY   7  10.110  10.083 -14.491
   66    HE2  ALY   7           HE2      ALY   7   8.849   8.870 -14.248
   67    HD3  ALY   7           HD3      ALY   7  10.911   7.473 -13.262
   68    HD2  ALY   7           HD2      ALY   7  11.557   9.096 -12.983
   69    HG3  ALY   7           HG3      ALY   7  10.403   8.689 -10.999
   70    HG2  ALY   7           HG2      ALY   7   9.207   9.589 -11.944
   71    HB3  ALY   7           HB3      ALY   7   7.825   7.889 -11.459
   72    HB2  ALY   7           HB2      ALY   7   8.671   7.051 -12.753
   73    HA   ALY   7           HA       ALY   7  10.202   6.677 -10.364
   74    H    ALY   7           H        ALY   7   8.558   4.501 -11.489
   75    H    THR   8           H        THR   8   9.276   7.694  -8.599
   76    HA   THR   8           HA       THR   8   6.942   6.291  -7.483
   77    HB   THR   8           HB       THR   8   8.404   7.910  -5.569
   78    HG1  THR   8           HG1      THR   8  10.287   7.463  -6.564
   79   HG21  THR   8          HG21      THR   8   6.766   5.863  -5.355
   80   HG22  THR   8          HG22      THR   8   8.256   4.930  -5.496
   81   HG23  THR   8          HG23      THR   8   8.067   6.099  -4.188
   82    H    TRP   9           H        TRP   9   6.027   7.869  -5.585
   83    HA   TRP   9           HA       TRP   9   5.879  10.618  -6.064
   84    HB2  TRP   9           HB2      TRP   9   3.460  10.604  -6.965
   85    HB3  TRP   9           HB3      TRP   9   4.770  10.308  -8.105
   86    HD1  TRP   9           HD1      TRP   9   2.186   8.278  -6.045
   87    HE1  TRP   9           HE1      TRP   9   1.603   6.156  -7.378
   88    HE3  TRP   9           HE3      TRP   9   5.424   8.861  -9.958
   89    HZ2  TRP   9           HZ2      TRP   9   2.407   4.896  -9.772
   90    HZ3  TRP   9           HZ3      TRP   9   5.455   7.152 -11.728
   91    HH2  TRP   9           HH2      TRP   9   3.978   5.211 -11.634
   92    H    ARG  10           H        ARG  10   4.272   7.714  -4.934
   93    HA   ARG  10           HA       ARG  10   3.166   7.234  -3.005
   94    HB2  ARG  10           HB2      ARG  10   5.146   8.472  -2.029
   95    HB3  ARG  10           HB3      ARG  10   4.127   9.903  -1.978
   96    HG2  ARG  10           HG2      ARG  10   2.920   7.548  -0.740
   97    HG3  ARG  10           HG3      ARG  10   4.407   8.094   0.037
   98    HD2  ARG  10           HD2      ARG  10   3.470  10.361   0.197
   99    HD3  ARG  10           HD3      ARG  10   1.977   9.782  -0.540
  100    HE   ARG  10           HE       ARG  10   1.364   8.915   1.483
  101   HH11  ARG  10          HH11      ARG  10   4.785   9.560   1.519
  102   HH12  ARG  10          HH12      ARG  10   4.965   9.209   3.206
  103   HH21  ARG  10          HH21      ARG  10   1.589   8.451   3.705
  104   HH22  ARG  10          HH22      ARG  10   3.147   8.578   4.449
  105    H    THR  11           H        THR  11   1.037   7.227  -3.351
  106    HA   THR  11           HA       THR  11  -0.374   9.810  -3.463
  107    HB   THR  11           HB       THR  11  -0.779   8.656  -5.496
  108    HG1  THR  11           HG1      THR  11  -3.019   7.991  -3.874
  109   HG21  THR  11          HG21      THR  11  -1.490   6.226  -3.850
  110   HG22  THR  11          HG22      THR  11  -1.572   6.347  -5.608
  111   HG23  THR  11          HG23      THR  11  -0.012   6.434  -4.789
  112   HH31  ALY  12          HH31      ALY  12  -9.737   6.067  -0.520
  113   HH32  ALY  12          HH32      ALY  12  -9.065   5.000   0.736
  114   HH33  ALY  12          HH33      ALY  12  -8.457   6.664   0.562
  115    HZ   ALY  12           HZ       ALY  12  -6.551   3.950  -1.386
  116    HE3  ALY  12           HE3      ALY  12  -6.258   5.267   1.102
  117    HE2  ALY  12           HE2      ALY  12  -6.292   3.511   1.289
  118    HD3  ALY  12           HD3      ALY  12  -4.059   3.712   0.873
  119    HD2  ALY  12           HD2      ALY  12  -4.602   3.678  -0.811
  120    HG3  ALY  12           HG3      ALY  12  -4.740   6.210  -0.716
  121    HG2  ALY  12           HG2      ALY  12  -3.959   6.127   0.871
  122    HB3  ALY  12           HB3      ALY  12  -2.228   4.612  -0.477
  123    HB2  ALY  12           HB2      ALY  12  -2.858   5.515  -1.848
  124    HA   ALY  12           HA       ALY  12  -2.356   7.542  -0.047
  125    H    ALY  12           H        ALY  12  -0.425   6.540  -2.100
  126    H    GLN  13           H        GLN  13  -2.263   5.523   1.739
  127    HA   GLN  13           HA       GLN  13   0.500   5.712   2.722
  128    HB2  GLN  13           HB2      GLN  13  -2.006   5.076   4.287
  129    HB3  GLN  13           HB3      GLN  13  -0.405   5.391   4.947
  130    HG2  GLN  13           HG2      GLN  13  -0.642   7.678   3.750
  131    HG3  GLN  13           HG3      GLN  13  -2.362   7.295   3.745
  132   HE21  GLN  13          HE21      GLN  13   0.071   8.753   5.436
  133   HE22  GLN  13          HE22      GLN  13  -0.663   8.803   6.999
  134    H    CYS  14           H        CYS  14   1.272   3.930   1.507
  135    HA   CYS  14           HA       CYS  14   0.193   1.395   1.356
  136    HB2  CYS  14           HB2      CYS  14   2.440   2.512   0.403
  137    HB3  CYS  14           HB3      CYS  14   3.136   1.567   1.715
  138    HN1  NH2  15           H1       CYS  14   2.052  -0.582   3.105
  Start of MODEL    9
    1    H1   ACE   0           H01      ACE   0   3.141  -0.137  -1.523
    2    H2   ACE   0           H02      ACE   0   1.351  -0.698  -1.149
    3    H    TRP   1           H        TRP   1   3.334   1.791  -2.573
    4    HA   TRP   1           HA       TRP   1   0.901   3.034  -3.589
    5    HB2  TRP   1           HB2      TRP   1   3.732   3.888  -4.186
    6    HB3  TRP   1           HB3      TRP   1   2.263   4.855  -4.270
    7    HD1  TRP   1           HD1      TRP   1   1.006   4.560  -1.495
    8    HE1  TRP   1           HE1      TRP   1   2.192   5.388   0.633
    9    HE3  TRP   1           HE3      TRP   1   5.818   4.616  -3.218
   10    HZ2  TRP   1           HZ2      TRP   1   4.820   5.987   1.470
   11    HZ3  TRP   1           HZ3      TRP   1   7.610   5.329  -1.690
   12    HH2  TRP   1           HH2      TRP   1   7.120   6.000   0.606
   13    H    LYS   2           H        LYS   2   1.655   3.984  -6.021
   14    HA   LYS   2           HA       LYS   2   1.699   1.533  -7.619
   15    HB2  LYS   2           HB2      LYS   2  -0.150   3.147  -7.957
   16    HB3  LYS   2           HB3      LYS   2   1.023   4.363  -8.445
   17    HG2  LYS   2           HG2      LYS   2   1.081   3.589 -10.522
   18    HG3  LYS   2           HG3      LYS   2   1.339   1.931  -9.970
   19    HD2  LYS   2           HD2      LYS   2  -1.206   2.036  -9.390
   20    HD3  LYS   2           HD3      LYS   2  -1.219   3.366 -10.552
   21    HE2  LYS   2           HE2      LYS   2   0.117   1.616 -12.019
   22    HE3  LYS   2           HE3      LYS   2  -0.718   0.464 -10.979
   23    HZ1  LYS   2           HZ1      LYS   2  -1.790   2.225 -13.032
   24    HZ2  LYS   2           HZ2      LYS   2  -2.292   0.680 -12.559
   25    HZ3  LYS   2           HZ3      LYS   2  -2.740   2.032 -11.645
   26    H    THR   3           H        THR   3   3.083   1.269  -9.398
   27    HA   THR   3           HA       THR   3   5.370   3.118  -9.519
   28    HB   THR   3           HB       THR   3   5.641   0.122  -9.778
   29    HG1  THR   3           HG1      THR   3   6.105   1.804  -7.521
   30   HG21  THR   3          HG21      THR   3   7.360   2.317 -10.346
   31   HG22  THR   3          HG22      THR   3   8.014   1.454  -8.953
   32   HG23  THR   3          HG23      THR   3   7.708   0.592 -10.462
   33    H    ILE   4           H        ILE   4   5.703   3.885 -11.494
   34    HA   ILE   4           HA       ILE   4   5.205   2.199 -13.819
   35    HB   ILE   4           HB       ILE   4   4.013   4.965 -13.628
   36   HG12  ILE   4          HG12      ILE   4   2.648   2.267 -13.499
   37   HG13  ILE   4          HG13      ILE   4   2.817   3.399 -12.162
   38   HG21  ILE   4          HG21      ILE   4   3.716   4.847 -15.826
   39   HG22  ILE   4          HG22      ILE   4   4.695   3.380 -15.834
   40   HG23  ILE   4          HG23      ILE   4   2.941   3.269 -15.681
   41   HD11  ILE   4          HD11      ILE   4   0.630   3.670 -12.947
   42   HD12  ILE   4          HD12      ILE   4   1.526   5.045 -13.594
   43   HD13  ILE   4          HD13      ILE   4   1.146   3.672 -14.633
   44   HH31  ALY   5          HH31      ALY   5   4.522  10.140 -13.639
   45   HH32  ALY   5          HH32      ALY   5   3.696   9.540 -15.097
   46   HH33  ALY   5          HH33      ALY   5   3.591   8.626 -13.574
   47    HZ   ALY   5           HZ       ALY   5   6.614   8.321 -16.070
   48    HE3  ALY   5           HE3      ALY   5   5.242   6.133 -15.683
   49    HE2  ALY   5           HE2      ALY   5   4.165   6.962 -16.809
   50    HD3  ALY   5           HD3      ALY   5   5.468   6.385 -18.538
   51    HD2  ALY   5           HD2      ALY   5   6.854   7.195 -17.795
   52    HG3  ALY   5           HG3      ALY   5   5.967   4.411 -16.981
   53    HG2  ALY   5           HG2      ALY   5   7.109   4.692 -18.305
   54    HB3  ALY   5           HB3      ALY   5   8.732   5.607 -16.885
   55    HB2  ALY   5           HB2      ALY   5   7.568   5.955 -15.614
   56    HA   ALY   5           HA       ALY   5   8.597   3.204 -16.414
   57    H    ALY   5           H        ALY   5   6.712   2.429 -15.345
   58    H    GLY   6           H        GLY   6   8.845   2.483 -13.657
   59    HA2  GLY   6           HA2      GLY   6  10.344   2.617 -11.920
   60    HA3  GLY   6           HA3      GLY   6  11.461   3.211 -13.140
   61   HH31  ALY   7          HH31      ALY   7   9.171  12.382 -17.121
   62   HH32  ALY   7          HH32      ALY   7  10.306  12.892 -15.848
   63   HH33  ALY   7          HH33      ALY   7  10.656  11.447 -16.827
   64    HZ   ALY   7           HZ       ALY   7   9.620  10.880 -13.558
   65    HE3  ALY   7           HE3      ALY   7   8.846   8.681 -14.369
   66    HE2  ALY   7           HE2      ALY   7  10.354   8.617 -15.284
   67    HD3  ALY   7           HD3      ALY   7  10.844   7.431 -13.312
   68    HD2  ALY   7           HD2      ALY   7  11.541   9.031 -13.028
   69    HG3  ALY   7           HG3      ALY   7  10.407   8.672 -11.034
   70    HG2  ALY   7           HG2      ALY   7   9.197   9.569 -11.965
   71    HB3  ALY   7           HB3      ALY   7   7.818   7.877 -11.445
   72    HB2  ALY   7           HB2      ALY   7   8.643   7.023 -12.741
   73    HA   ALY   7           HA       ALY   7  10.201   6.678 -10.359
   74    H    ALY   7           H        ALY   7   8.569   4.478 -11.452
   75    H    THR   8           H        THR   8   9.238   7.750  -8.628
   76    HA   THR   8           HA       THR   8   6.931   6.323  -7.480
   77    HB   THR   8           HB       THR   8   8.409   7.980  -5.599
   78    HG1  THR   8           HG1      THR   8   9.859   5.721  -6.445
   79   HG21  THR   8          HG21      THR   8   6.766   5.848  -5.444
   80   HG22  THR   8          HG22      THR   8   8.329   5.039  -5.333
   81   HG23  THR   8          HG23      THR   8   7.902   6.295  -4.172
   82    H    TRP   9           H        TRP   9   5.995   7.904  -5.605
   83    HA   TRP   9           HA       TRP   9   5.832  10.651  -6.102
   84    HB2  TRP   9           HB2      TRP   9   3.415  10.614  -7.009
   85    HB3  TRP   9           HB3      TRP   9   4.731  10.319  -8.143
   86    HD1  TRP   9           HD1      TRP   9   2.153   8.287  -6.081
   87    HE1  TRP   9           HE1      TRP   9   1.590   6.151  -7.402
   88    HE3  TRP   9           HE3      TRP   9   5.408   8.864  -9.981
   89    HZ2  TRP   9           HZ2      TRP   9   2.417   4.878  -9.782
   90    HZ3  TRP   9           HZ3      TRP   9   5.460   7.141 -11.738
   91    HH2  TRP   9           HH2      TRP   9   3.995   5.190 -11.638
   92    H    ARG  10           H        ARG  10   4.238   7.744  -4.958
   93    HA   ARG  10           HA       ARG  10   3.128   7.271  -3.030
   94    HB2  ARG  10           HB2      ARG  10   5.100   8.519  -2.054
   95    HB3  ARG  10           HB3      ARG  10   4.078   9.949  -2.017
   96    HG2  ARG  10           HG2      ARG  10   2.876   7.595  -0.767
   97    HG3  ARG  10           HG3      ARG  10   4.355   8.160   0.014
   98    HD2  ARG  10           HD2      ARG  10   2.308  10.180  -0.730
   99    HD3  ARG  10           HD3      ARG  10   1.971   9.131   0.646
  100    HE   ARG  10           HE       ARG  10   4.482  10.047   1.128
  101   HH11  ARG  10          HH11      ARG  10   1.430  11.574   0.439
  102   HH12  ARG  10          HH12      ARG  10   1.790  13.002   1.352
  103   HH21  ARG  10          HH21      ARG  10   4.967  11.921   2.334
  104   HH22  ARG  10          HH22      ARG  10   3.803  13.199   2.429
  105    H    THR  11           H        THR  11   1.000   7.254  -3.389
  106    HA   THR  11           HA       THR  11  -0.420   9.829  -3.538
  107    HB   THR  11           HB       THR  11  -0.833   8.625  -5.539
  108    HG1  THR  11           HG1      THR  11  -2.727   9.490  -4.501
  109   HG21  THR  11          HG21      THR  11  -1.632   6.307  -5.579
  110   HG22  THR  11          HG22      THR  11  -0.053   6.424  -4.801
  111   HG23  THR  11          HG23      THR  11  -1.507   6.232  -3.821
  112   HH31  ALY  12          HH31      ALY  12  -4.574   3.317  -4.916
  113   HH32  ALY  12          HH32      ALY  12  -3.030   2.739  -5.587
  114   HH33  ALY  12          HH33      ALY  12  -4.568   2.098  -6.213
  115    HZ   ALY  12           HZ       ALY  12  -3.959   0.905  -2.458
  116    HE3  ALY  12           HE3      ALY  12  -2.210   1.941  -1.615
  117    HE2  ALY  12           HE2      ALY  12  -1.740   2.081  -3.313
  118    HD3  ALY  12           HD3      ALY  12  -2.011   4.312  -3.293
  119    HD2  ALY  12           HD2      ALY  12  -3.629   4.174  -2.591
  120    HG3  ALY  12           HG3      ALY  12  -2.222   3.604  -0.389
  121    HG2  ALY  12           HG2      ALY  12  -0.977   4.534  -1.237
  122    HB3  ALY  12           HB3      ALY  12  -3.411   5.961  -1.527
  123    HB2  ALY  12           HB2      ALY  12  -3.340   5.450   0.155
  124    HA   ALY  12           HA       ALY  12  -2.347   7.655  -0.034
  125    H    ALY  12           H        ALY  12  -0.439   6.601  -2.080
  126    H    GLN  13           H        GLN  13  -2.266   5.657   1.778
  127    HA   GLN  13           HA       GLN  13   0.510   5.812   2.724
  128    HB2  GLN  13           HB2      GLN  13  -2.118   5.968   4.030
  129    HB3  GLN  13           HB3      GLN  13  -0.947   4.968   4.881
  130    HG2  GLN  13           HG2      GLN  13   0.608   6.808   4.988
  131    HG3  GLN  13           HG3      GLN  13  -0.474   7.814   4.026
  132   HE21  GLN  13          HE21      GLN  13  -1.873   9.057   5.063
  133   HE22  GLN  13          HE22      GLN  13  -2.288   8.930   6.736
  134    H    CYS  14           H        CYS  14   1.297   4.012   1.588
  135    HA   CYS  14           HA       CYS  14   0.182   1.492   1.415
  136    HB2  CYS  14           HB2      CYS  14   2.506   2.594   0.574
  137    HB3  CYS  14           HB3      CYS  14   3.106   1.563   1.869
  138    HN1  NH2  15           H1       CYS  14  -0.518   1.727   4.415
  Start of MODEL   10
    1    H1   ACE   0           H01      ACE   0   3.079  -0.229  -1.619
    2    H2   ACE   0           H02      ACE   0   1.266  -0.728  -1.211
    3    H    TRP   1           H        TRP   1   3.298   1.755  -2.599
    4    HA   TRP   1           HA       TRP   1   0.883   3.019  -3.622
    5    HB2  TRP   1           HB2      TRP   1   3.725   3.841  -4.206
    6    HB3  TRP   1           HB3      TRP   1   2.268   4.827  -4.293
    7    HD1  TRP   1           HD1      TRP   1   0.994   4.532  -1.526
    8    HE1  TRP   1           HE1      TRP   1   2.179   5.336   0.613
    9    HE3  TRP   1           HE3      TRP   1   5.816   4.542  -3.225
   10    HZ2  TRP   1           HZ2      TRP   1   4.809   5.901   1.466
   11    HZ3  TRP   1           HZ3      TRP   1   7.607   5.228  -1.684
   12    HH2  TRP   1           HH2      TRP   1   7.112   5.893   0.612
   13    H    LYS   2           H        LYS   2   1.647   3.980  -6.046
   14    HA   LYS   2           HA       LYS   2   1.668   1.540  -7.663
   15    HB2  LYS   2           HB2      LYS   2  -0.170   3.166  -7.990
   16    HB3  LYS   2           HB3      LYS   2   1.009   4.383  -8.460
   17    HG2  LYS   2           HG2      LYS   2   1.063   3.636 -10.547
   18    HG3  LYS   2           HG3      LYS   2   1.323   1.973 -10.017
   19    HD2  LYS   2           HD2      LYS   2  -1.258   2.179  -9.408
   20    HD3  LYS   2           HD3      LYS   2  -1.200   3.388 -10.692
   21    HE2  LYS   2           HE2      LYS   2  -0.376   1.782 -12.259
   22    HE3  LYS   2           HE3      LYS   2  -0.147   0.580 -10.989
   23    HZ1  LYS   2           HZ1      LYS   2  -2.506   1.230 -12.471
   24    HZ2  LYS   2           HZ2      LYS   2  -2.160  -0.142 -11.542
   25    HZ3  LYS   2           HZ3      LYS   2  -2.781   1.248 -10.801
   26    H    THR   3           H        THR   3   3.050   1.277  -9.441
   27    HA   THR   3           HA       THR   3   5.352   3.109  -9.549
   28    HB   THR   3           HB       THR   3   5.594   0.113  -9.837
   29    HG1  THR   3           HG1      THR   3   5.843  -0.010  -7.732
   30   HG21  THR   3          HG21      THR   3   7.534   0.796 -10.764
   31   HG22  THR   3          HG22      THR   3   7.416   2.410 -10.066
   32   HG23  THR   3          HG23      THR   3   8.028   1.073  -9.094
   33    H    ILE   4           H        ILE   4   5.661   3.907 -11.514
   34    HA   ILE   4           HA       ILE   4   5.162   2.245 -13.859
   35    HB   ILE   4           HB       ILE   4   3.981   5.014 -13.649
   36   HG12  ILE   4          HG12      ILE   4   2.586   2.332 -13.522
   37   HG13  ILE   4          HG13      ILE   4   2.803   3.435 -12.167
   38   HG21  ILE   4          HG21      ILE   4   4.620   3.393 -15.855
   39   HG22  ILE   4          HG22      ILE   4   2.865   3.344 -15.688
   40   HG23  ILE   4          HG23      ILE   4   3.691   4.893 -15.846
   41   HD11  ILE   4          HD11      ILE   4   1.564   5.112 -13.758
   42   HD12  ILE   4          HD12      ILE   4   0.973   3.623 -14.495
   43   HD13  ILE   4          HD13      ILE   4   0.671   3.940 -12.788
   44   HH31  ALY   5          HH31      ALY   5   6.460  10.808 -14.307
   45   HH32  ALY   5          HH32      ALY   5   4.913  10.666 -15.177
   46   HH33  ALY   5          HH33      ALY   5   5.024  10.173 -13.471
   47    HZ   ALY   5           HZ       ALY   5   5.972   8.806 -16.737
   48    HE3  ALY   5           HE3      ALY   5   5.543   6.364 -15.439
   49    HE2  ALY   5           HE2      ALY   5   4.194   6.705 -16.526
   50    HD3  ALY   5           HD3      ALY   5   5.460   6.451 -18.399
   51    HD2  ALY   5           HD2      ALY   5   6.871   7.237 -17.678
   52    HG3  ALY   5           HG3      ALY   5   5.976   4.456 -16.871
   53    HG2  ALY   5           HG2      ALY   5   7.079   4.735 -18.226
   54    HB3  ALY   5           HB3      ALY   5   8.761   5.602 -16.852
   55    HB2  ALY   5           HB2      ALY   5   7.643   5.981 -15.549
   56    HA   ALY   5           HA       ALY   5   8.626   3.218 -16.362
   57    H    ALY   5           H        ALY   5   6.772   2.411 -15.262
   58    H    GLY   6           H        GLY   6   8.849   2.480 -13.607
   59    HA2  GLY   6           HA2      GLY   6  10.335   2.598 -11.857
   60    HA3  GLY   6           HA3      GLY   6  11.464   3.193 -13.064
   61   HH31  ALY   7          HH31      ALY   7  14.329   9.241 -15.482
   62   HH32  ALY   7          HH32      ALY   7  14.026  10.914 -16.011
   63   HH33  ALY   7          HH33      ALY   7  14.795  10.603 -14.437
   64    HZ   ALY   7           HZ       ALY   7  12.282   8.543 -15.283
   65    HE3  ALY   7           HE3      ALY   7   9.968   9.953 -14.130
   66    HE2  ALY   7           HE2      ALY   7   9.883   8.432 -15.022
   67    HD3  ALY   7           HD3      ALY   7  10.730   7.197 -13.287
   68    HD2  ALY   7           HD2      ALY   7  11.786   8.503 -12.730
   69    HG3  ALY   7           HG3      ALY   7  10.303   8.802 -11.062
   70    HG2  ALY   7           HG2      ALY   7   9.249   9.534 -12.282
   71    HB3  ALY   7           HB3      ALY   7   7.825   7.948 -11.460
   72    HB2  ALY   7           HB2      ALY   7   8.574   7.038 -12.764
   73    HA   ALY   7           HA       ALY   7  10.168   6.708 -10.384
   74    H    ALY   7           H        ALY   7   8.519   4.543 -11.551
   75    H    THR   8           H        THR   8   9.292   7.662  -8.589
   76    HA   THR   8           HA       THR   8   6.936   6.291  -7.484
   77    HB   THR   8           HB       THR   8   8.405   7.909  -5.573
   78    HG1  THR   8           HG1      THR   8  10.238   7.421  -6.750
   79   HG21  THR   8          HG21      THR   8   8.043   6.113  -4.186
   80   HG22  THR   8          HG22      THR   8   6.759   5.857  -5.367
   81   HG23  THR   8          HG23      THR   8   8.257   4.933  -5.479
   82    H    TRP   9           H        TRP   9   6.021   7.869  -5.589
   83    HA   TRP   9           HA       TRP   9   5.881  10.619  -6.065
   84    HB2  TRP   9           HB2      TRP   9   3.463  10.613  -6.971
   85    HB3  TRP   9           HB3      TRP   9   4.775  10.315  -8.108
   86    HD1  TRP   9           HD1      TRP   9   2.184   8.286  -6.056
   87    HE1  TRP   9           HE1      TRP   9   1.598   6.167  -7.395
   88    HE3  TRP   9           HE3      TRP   9   5.429   8.871  -9.963
   89    HZ2  TRP   9           HZ2      TRP   9   2.405   4.910  -9.790
   90    HZ3  TRP   9           HZ3      TRP   9   5.460   7.166 -11.737
   91    HH2  TRP   9           HH2      TRP   9   3.979   5.226 -11.649
   92    H    ARG  10           H        ARG  10   4.264   7.717  -4.941
   93    HA   ARG  10           HA       ARG  10   3.152   7.238  -3.015
   94    HB2  ARG  10           HB2      ARG  10   5.134   8.469  -2.034
   95    HB3  ARG  10           HB3      ARG  10   4.120   9.905  -1.985
   96    HG2  ARG  10           HG2      ARG  10   2.903   7.550  -0.751
   97    HG3  ARG  10           HG3      ARG  10   4.390   8.093   0.030
   98    HD2  ARG  10           HD2      ARG  10   2.026   9.856  -0.597
   99    HD3  ARG  10           HD3      ARG  10   2.347   9.127   0.976
  100    HE   ARG  10           HE       ARG  10   4.632  10.494   0.378
  101   HH11  ARG  10          HH11      ARG  10   1.259  11.322   0.618
  102   HH12  ARG  10          HH12      ARG  10   1.560  12.955   1.113
  103   HH21  ARG  10          HH21      ARG  10   5.042  12.642   1.030
  104   HH22  ARG  10          HH22      ARG  10   3.713  13.705   1.347
  105    H    THR  11           H        THR  11   1.025   7.237  -3.368
  106    HA   THR  11           HA       THR  11  -0.380   9.824  -3.483
  107    HB   THR  11           HB       THR  11  -0.787   8.665  -5.514
  108    HG1  THR  11           HG1      THR  11  -3.040   7.974  -3.932
  109   HG21  THR  11          HG21      THR  11  -1.589   6.357  -5.616
  110   HG22  THR  11          HG22      THR  11  -0.026   6.444  -4.803
  111   HG23  THR  11          HG23      THR  11  -1.501   6.240  -3.859
  112   HH31  ALY  12          HH31      ALY  12  -9.013   1.482   1.485
  113   HH32  ALY  12          HH32      ALY  12  -8.359   1.794  -0.141
  114   HH33  ALY  12          HH33      ALY  12  -7.745   0.427   0.818
  115    HZ   ALY  12           HZ       ALY  12  -7.720   3.980   0.787
  116    HE3  ALY  12           HE3      ALY  12  -6.172   5.494   1.194
  117    HE2  ALY  12           HE2      ALY  12  -5.606   4.283   2.347
  118    HD3  ALY  12           HD3      ALY  12  -3.696   4.028   1.203
  119    HD2  ALY  12           HD2      ALY  12  -4.598   3.599  -0.258
  120    HG3  ALY  12           HG3      ALY  12  -4.832   5.955  -0.855
  121    HG2  ALY  12           HG2      ALY  12  -4.060   6.449   0.659
  122    HB3  ALY  12           HB3      ALY  12  -2.260   4.643  -0.477
  123    HB2  ALY  12           HB2      ALY  12  -2.873   5.542  -1.857
  124    HA   ALY  12           HA       ALY  12  -2.362   7.573  -0.058
  125    H    ALY  12           H        ALY  12  -0.437   6.559  -2.108
  126    H    GLN  13           H        GLN  13  -2.280   5.554   1.730
  127    HA   GLN  13           HA       GLN  13   0.483   5.724   2.709
  128    HB2  GLN  13           HB2      GLN  13  -0.580   5.159   4.938
  129    HB3  GLN  13           HB3      GLN  13  -1.001   6.726   4.260
  130    HG2  GLN  13           HG2      GLN  13  -3.165   6.157   3.912
  131    HG3  GLN  13           HG3      GLN  13  -2.788   4.459   3.621
  132   HE21  GLN  13          HE21      GLN  13  -4.794   5.773   5.359
  133   HE22  GLN  13          HE22      GLN  13  -4.524   5.122   6.935
  134    H    CYS  14           H        CYS  14   1.255   3.939   1.509
  135    HA   CYS  14           HA       CYS  14   0.160   1.411   1.346
  136    HB2  CYS  14           HB2      CYS  14   2.430   2.520   0.425
  137    HB3  CYS  14           HB3      CYS  14   3.100   1.548   1.732
  138    HN1  NH2  15           H1       CYS  14  -0.708   0.456   3.448
  Start of MODEL   11
    1    H1   ACE   0           H01      ACE   0   3.188  -0.178  -1.544
    2    H2   ACE   0           H02      ACE   0   1.377  -0.672  -1.103
    3    H    TRP   1           H        TRP   1   3.381   1.814  -2.535
    4    HA   TRP   1           HA       TRP   1   0.948   3.030  -3.568
    5    HB2  TRP   1           HB2      TRP   1   3.777   3.879  -4.177
    6    HB3  TRP   1           HB3      TRP   1   2.308   4.846  -4.270
    7    HD1  TRP   1           HD1      TRP   1   1.050   4.574  -1.493
    8    HE1  TRP   1           HE1      TRP   1   2.235   5.421   0.629
    9    HE3  TRP   1           HE3      TRP   1   5.863   4.617  -3.215
   10    HZ2  TRP   1           HZ2      TRP   1   4.863   6.027   1.462
   11    HZ3  TRP   1           HZ3      TRP   1   7.654   5.344  -1.692
   12    HH2  TRP   1           HH2      TRP   1   7.162   6.035   0.597
   13    H    LYS   2           H        LYS   2   1.690   3.967  -6.008
   14    HA   LYS   2           HA       LYS   2   1.739   1.505  -7.593
   15    HB2  LYS   2           HB2      LYS   2  -0.130   3.092  -7.930
   16    HB3  LYS   2           HB3      LYS   2   1.024   4.324  -8.423
   17    HG2  LYS   2           HG2      LYS   2   1.107   3.542 -10.499
   18    HG3  LYS   2           HG3      LYS   2   1.351   1.884  -9.943
   19    HD2  LYS   2           HD2      LYS   2  -1.229   2.116  -9.347
   20    HD3  LYS   2           HD3      LYS   2  -1.158   3.311 -10.645
   21    HE2  LYS   2           HE2      LYS   2  -1.368   1.620 -12.077
   22    HE3  LYS   2           HE3      LYS   2   0.263   1.132 -11.622
   23    HZ1  LYS   2           HZ1      LYS   2  -2.315   0.082 -10.656
   24    HZ2  LYS   2           HZ2      LYS   2  -0.978  -0.764 -11.257
   25    HZ3  LYS   2           HZ3      LYS   2  -0.922  -0.081  -9.710
   26    H    THR   3           H        THR   3   3.108   1.250  -9.386
   27    HA   THR   3           HA       THR   3   5.381   3.116  -9.527
   28    HB   THR   3           HB       THR   3   5.612   0.106  -9.701
   29    HG1  THR   3           HG1      THR   3   5.228   0.773  -7.555
   30   HG21  THR   3          HG21      THR   3   7.303   1.163 -11.029
   31   HG22  THR   3          HG22      THR   3   7.657   2.325  -9.750
   32   HG23  THR   3          HG23      THR   3   8.058   0.622  -9.530
   33    H    ILE   4           H        ILE   4   5.688   3.888 -11.504
   34    HA   ILE   4           HA       ILE   4   5.182   2.200 -13.827
   35    HB   ILE   4           HB       ILE   4   3.973   4.957 -13.625
   36   HG12  ILE   4          HG12      ILE   4   2.618   2.255 -13.495
   37   HG13  ILE   4          HG13      ILE   4   2.810   3.368 -12.146
   38   HG21  ILE   4          HG21      ILE   4   4.651   3.386 -15.837
   39   HG22  ILE   4          HG22      ILE   4   2.900   3.241 -15.668
   40   HG23  ILE   4          HG23      ILE   4   3.643   4.834 -15.818
   41   HD11  ILE   4          HD11      ILE   4   0.944   4.406 -12.702
   42   HD12  ILE   4          HD12      ILE   4   1.562   4.728 -14.322
   43   HD13  ILE   4          HD13      ILE   4   0.702   3.224 -13.989
   44   HH31  ALY   5          HH31      ALY   5   3.820   9.814 -15.009
   45   HH32  ALY   5          HH32      ALY   5   3.700   8.915 -13.477
   46   HH33  ALY   5          HH33      ALY   5   4.865  10.251 -13.637
   47    HZ   ALY   5           HZ       ALY   5   6.385   8.456 -16.272
   48    HE3  ALY   5           HE3      ALY   5   5.178   6.135 -15.714
   49    HE2  ALY   5           HE2      ALY   5   4.089   6.867 -16.896
   50    HD3  ALY   5           HD3      ALY   5   5.488   6.387 -18.582
   51    HD2  ALY   5           HD2      ALY   5   6.830   7.197 -17.763
   52    HG3  ALY   5           HG3      ALY   5   5.934   4.414 -16.976
   53    HG2  ALY   5           HG2      ALY   5   7.080   4.677 -18.298
   54    HB3  ALY   5           HB3      ALY   5   8.695   5.620 -16.879
   55    HB2  ALY   5           HB2      ALY   5   7.526   5.952 -15.609
   56    HA   ALY   5           HA       ALY   5   8.573   3.210 -16.419
   57    H    ALY   5           H        ALY   5   6.718   2.410 -15.317
   58    H    GLY   6           H        GLY   6   8.841   2.488 -13.664
   59    HA2  GLY   6           HA2      GLY   6  10.349   2.628 -11.935
   60    HA3  GLY   6           HA3      GLY   6  11.457   3.226 -13.161
   61   HH31  ALY   7          HH31      ALY   7  10.241   7.422 -18.216
   62   HH32  ALY   7          HH32      ALY   7  11.910   8.031 -18.330
   63   HH33  ALY   7          HH33      ALY   7  11.492   6.800 -17.115
   64    HZ   ALY   7           HZ       ALY   7  10.409   7.483 -15.336
   65    HE3  ALY   7           HE3      ALY   7  10.565  10.163 -14.539
   66    HE2  ALY   7           HE2      ALY   7   8.975   9.508 -14.137
   67    HD3  ALY   7           HD3      ALY   7  10.738   7.478 -13.384
   68    HD2  ALY   7           HD2      ALY   7  11.590   8.959 -12.929
   69    HG3  ALY   7           HG3      ALY   7  10.343   8.728 -11.029
   70    HG2  ALY   7           HG2      ALY   7   9.142   9.593 -12.000
   71    HB3  ALY   7           HB3      ALY   7   7.790   7.873 -11.494
   72    HB2  ALY   7           HB2      ALY   7   8.651   7.042 -12.782
   73    HA   ALY   7           HA       ALY   7  10.190   6.701 -10.398
   74    H    ALY   7           H        ALY   7   8.556   4.503 -11.496
   75    H    THR   8           H        THR   8   9.240   7.762  -8.657
   76    HA   THR   8           HA       THR   8   6.937   6.335  -7.503
   77    HB   THR   8           HB       THR   8   8.391   7.992  -5.616
   78    HG1  THR   8           HG1      THR   8  10.344   7.502  -6.265
   79   HG21  THR   8          HG21      THR   8   8.048   6.214  -4.209
   80   HG22  THR   8          HG22      THR   8   6.781   5.904  -5.398
   81   HG23  THR   8          HG23      THR   8   8.304   5.019  -5.481
   82    H    TRP   9           H        TRP   9   6.014   7.924  -5.621
   83    HA   TRP   9           HA       TRP   9   5.835  10.667  -6.130
   84    HB2  TRP   9           HB2      TRP   9   3.413  10.618  -7.019
   85    HB3  TRP   9           HB3      TRP   9   4.720  10.322  -8.162
   86    HD1  TRP   9           HD1      TRP   9   2.167   8.288  -6.067
   87    HE1  TRP   9           HE1      TRP   9   1.600   6.145  -7.375
   88    HE3  TRP   9           HE3      TRP   9   5.381   8.863 -10.002
   89    HZ2  TRP   9           HZ2      TRP   9   2.408   4.866  -9.758
   90    HZ3  TRP   9           HZ3      TRP   9   5.423   7.134 -11.753
   91    HH2  TRP   9           HH2      TRP   9   3.966   5.178 -11.631
   92    H    ARG  10           H        ARG  10   4.263   7.759  -4.960
   93    HA   ARG  10           HA       ARG  10   3.170   7.289  -3.021
   94    HB2  ARG  10           HB2      ARG  10   5.142   8.559  -2.067
   95    HB3  ARG  10           HB3      ARG  10   4.109   9.980  -2.029
   96    HG2  ARG  10           HG2      ARG  10   2.930   7.628  -0.759
   97    HG3  ARG  10           HG3      ARG  10   4.415   8.197   0.006
   98    HD2  ARG  10           HD2      ARG  10   3.490  10.183   0.642
   99    HD3  ARG  10           HD3      ARG  10   2.374  10.223  -0.723
  100    HE   ARG  10           HE       ARG  10   1.687   8.119   1.030
  101   HH11  ARG  10          HH11      ARG  10   1.605  11.590   0.772
  102   HH12  ARG  10          HH12      ARG  10   0.225  11.764   1.804
  103   HH21  ARG  10          HH21      ARG  10  -0.130   8.336   2.392
  104   HH22  ARG  10          HH22      ARG  10  -0.761   9.913   2.725
  105    H    THR  11           H        THR  11   1.041   7.257  -3.358
  106    HA   THR  11           HA       THR  11  -0.397   9.824  -3.494
  107    HB   THR  11           HB       THR  11  -0.800   8.640  -5.511
  108    HG1  THR  11           HG1      THR  11  -3.045   7.910  -3.944
  109   HG21  THR  11          HG21      THR  11  -0.007   6.435  -4.780
  110   HG22  THR  11          HG22      THR  11  -1.479   6.223  -3.830
  111   HG23  THR  11          HG23      THR  11  -1.571   6.322  -5.588
  112   HH31  ALY  12          HH31      ALY  12  -8.783   4.004   1.261
  113   HH32  ALY  12          HH32      ALY  12  -9.212   5.544   2.046
  114   HH33  ALY  12          HH33      ALY  12 -10.347   4.775   0.911
  115    HZ   ALY  12           HZ       ALY  12  -7.676   4.588  -1.155
  116    HE3  ALY  12           HE3      ALY  12  -6.822   6.685  -1.871
  117    HE2  ALY  12           HE2      ALY  12  -6.249   6.990  -0.228
  118    HD3  ALY  12           HD3      ALY  12  -5.300   4.450  -1.416
  119    HD2  ALY  12           HD2      ALY  12  -4.730   5.907  -2.243
  120    HG3  ALY  12           HG3      ALY  12  -4.206   6.736   0.209
  121    HG2  ALY  12           HG2      ALY  12  -4.252   5.009   0.595
  122    HB3  ALY  12           HB3      ALY  12  -2.247   4.662  -0.319
  123    HB2  ALY  12           HB2      ALY  12  -2.727   5.445  -1.818
  124    HA   ALY  12           HA       ALY  12  -2.338   7.579  -0.040
  125    H    ALY  12           H        ALY  12  -0.408   6.571  -2.089
  126    H    GLN  13           H        GLN  13  -2.217   5.582   1.771
  127    HA   GLN  13           HA       GLN  13   0.548   5.808   2.736
  128    HB2  GLN  13           HB2      GLN  13  -2.111   5.683   4.083
  129    HB3  GLN  13           HB3      GLN  13  -0.714   5.043   4.938
  130    HG2  GLN  13           HG2      GLN  13   0.406   7.265   4.496
  131    HG3  GLN  13           HG3      GLN  13  -1.176   7.849   3.984
  132   HE21  GLN  13          HE21      GLN  13   0.758   6.771   6.656
  133   HE22  GLN  13          HE22      GLN  13  -0.306   7.306   7.907
  134    H    CYS  14           H        CYS  14   1.334   4.020   1.541
  135    HA   CYS  14           HA       CYS  14   0.277   1.474   1.422
  136    HB2  CYS  14           HB2      CYS  14   2.513   2.601   0.452
  137    HB3  CYS  14           HB3      CYS  14   3.220   1.675   1.771
  138    HN1  NH2  15           H1       CYS  14   3.214   1.481   3.734
  Start of MODEL   12
    1    H1   ACE   0           H01      ACE   0   3.183  -0.186  -1.555
    2    H2   ACE   0           H02      ACE   0   1.370  -0.670  -1.107
    3    H    TRP   1           H        TRP   1   3.380   1.811  -2.538
    4    HA   TRP   1           HA       TRP   1   0.949   3.030  -3.573
    5    HB2  TRP   1           HB2      TRP   1   3.780   3.874  -4.180
    6    HB3  TRP   1           HB3      TRP   1   2.313   4.843  -4.274
    7    HD1  TRP   1           HD1      TRP   1   1.052   4.574  -1.498
    8    HE1  TRP   1           HE1      TRP   1   2.239   5.419   0.625
    9    HE3  TRP   1           HE3      TRP   1   5.867   4.609  -3.218
   10    HZ2  TRP   1           HZ2      TRP   1   4.866   6.021   1.459
   11    HZ3  TRP   1           HZ3      TRP   1   7.659   5.334  -1.694
   12    HH2  TRP   1           HH2      TRP   1   7.167   6.025   0.594
   13    H    LYS   2           H        LYS   2   1.692   3.966  -6.012
   14    HA   LYS   2           HA       LYS   2   1.736   1.506  -7.597
   15    HB2  LYS   2           HB2      LYS   2  -0.130   3.094  -7.935
   16    HB3  LYS   2           HB3      LYS   2   1.025   4.326  -8.424
   17    HG2  LYS   2           HG2      LYS   2   1.102   3.550 -10.503
   18    HG3  LYS   2           HG3      LYS   2   1.355   1.892  -9.950
   19    HD2  LYS   2           HD2      LYS   2  -1.201   2.032  -9.367
   20    HD3  LYS   2           HD3      LYS   2  -1.188   3.325 -10.568
   21    HE2  LYS   2           HE2      LYS   2   0.255   1.310 -11.778
   22    HE3  LYS   2           HE3      LYS   2  -1.015   0.440 -10.921
   23    HZ1  LYS   2           HZ1      LYS   2  -1.937   0.926 -12.983
   24    HZ2  LYS   2           HZ2      LYS   2  -2.574   2.134 -11.985
   25    HZ3  LYS   2           HZ3      LYS   2  -1.291   2.489 -13.030
   26    H    THR   3           H        THR   3   3.106   1.245  -9.387
   27    HA   THR   3           HA       THR   3   5.381   3.110  -9.530
   28    HB   THR   3           HB       THR   3   5.650   0.110  -9.770
   29    HG1  THR   3           HG1      THR   3   6.090   1.844  -7.555
   30   HG21  THR   3          HG21      THR   3   7.302   1.894 -10.809
   31   HG22  THR   3          HG22      THR   3   7.894   1.968  -9.150
   32   HG23  THR   3          HG23      THR   3   7.906   0.436 -10.023
   33    H    ILE   4           H        ILE   4   5.673   3.889 -11.505
   34    HA   ILE   4           HA       ILE   4   5.173   2.199 -13.830
   35    HB   ILE   4           HB       ILE   4   3.966   4.958 -13.638
   36   HG12  ILE   4          HG12      ILE   4   2.585   2.269 -13.495
   37   HG13  ILE   4          HG13      ILE   4   2.825   3.358 -12.133
   38   HG21  ILE   4          HG21      ILE   4   3.587   4.809 -15.824
   39   HG22  ILE   4          HG22      ILE   4   4.637   3.392 -15.840
   40   HG23  ILE   4          HG23      ILE   4   2.894   3.195 -15.654
   41   HD11  ILE   4          HD11      ILE   4   1.504   5.066 -13.435
   42   HD12  ILE   4          HD12      ILE   4   1.088   3.760 -14.545
   43   HD13  ILE   4          HD13      ILE   4   0.608   3.665 -12.851
   44   HH31  ALY   5          HH31      ALY   5   3.003   9.465 -15.524
   45   HH32  ALY   5          HH32      ALY   5   3.355   9.539 -13.780
   46   HH33  ALY   5          HH33      ALY   5   4.124  10.695 -14.895
   47    HZ   ALY   5           HZ       ALY   5   6.048   8.622 -16.487
   48    HE3  ALY   5           HE3      ALY   5   5.301   6.249 -15.649
   49    HE2  ALY   5           HE2      ALY   5   4.067   6.553 -16.874
   50    HD3  ALY   5           HD3      ALY   5   5.539   6.370 -18.601
   51    HD2  ALY   5           HD2      ALY   5   6.839   7.182 -17.718
   52    HG3  ALY   5           HG3      ALY   5   5.950   4.390 -16.970
   53    HG2  ALY   5           HG2      ALY   5   7.105   4.656 -18.286
   54    HB3  ALY   5           HB3      ALY   5   8.707   5.606 -16.857
   55    HB2  ALY   5           HB2      ALY   5   7.529   5.938 -15.595
   56    HA   ALY   5           HA       ALY   5   8.587   3.196 -16.393
   57    H    ALY   5           H        ALY   5   6.741   2.387 -15.281
   58    H    GLY   6           H        GLY   6   8.846   2.484 -13.634
   59    HA2  GLY   6           HA2      GLY   6  10.347   2.631 -11.901
   60    HA3  GLY   6           HA3      GLY   6  11.459   3.226 -13.125
   61   HH31  ALY   7          HH31      ALY   7  11.273   9.681 -18.640
   62   HH32  ALY   7          HH32      ALY   7  11.651  10.887 -17.388
   63   HH33  ALY   7          HH33      ALY   7  12.870   9.677 -17.856
   64    HZ   ALY   7           HZ       ALY   7  11.065  10.433 -15.537
   65    HE3  ALY   7           HE3      ALY   7   9.432   9.809 -14.237
   66    HE2  ALY   7           HE2      ALY   7   9.519   8.198 -14.956
   67    HD3  ALY   7           HD3      ALY   7  10.839   7.353 -13.269
   68    HD2  ALY   7           HD2      ALY   7  11.620   8.909 -12.951
   69    HG3  ALY   7           HG3      ALY   7  10.297   8.784 -11.078
   70    HG2  ALY   7           HG2      ALY   7   9.158   9.583 -12.172
   71    HB3  ALY   7           HB3      ALY   7   7.782   7.915 -11.510
   72    HB2  ALY   7           HB2      ALY   7   8.597   7.044 -12.801
   73    HA   ALY   7           HA       ALY   7  10.165   6.731 -10.420
   74    H    ALY   7           H        ALY   7   8.531   4.534 -11.536
   75    H    THR   8           H        THR   8   9.264   7.729  -8.645
   76    HA   THR   8           HA       THR   8   6.940   6.330  -7.507
   77    HB   THR   8           HB       THR   8   8.393   7.983  -5.617
   78    HG1  THR   8           HG1      THR   8  10.363   7.437  -6.129
   79   HG21  THR   8          HG21      THR   8   6.783   5.917  -5.375
   80   HG22  THR   8          HG22      THR   8   8.284   5.002  -5.516
   81   HG23  THR   8          HG23      THR   8   8.087   6.181  -4.218
   82    H    TRP   9           H        TRP   9   6.019   7.920  -5.622
   83    HA   TRP   9           HA       TRP   9   5.844  10.663  -6.130
   84    HB2  TRP   9           HB2      TRP   9   3.421  10.617  -7.018
   85    HB3  TRP   9           HB3      TRP   9   4.728  10.320  -8.162
   86    HD1  TRP   9           HD1      TRP   9   2.175   8.287  -6.067
   87    HE1  TRP   9           HE1      TRP   9   1.604   6.146  -7.376
   88    HE3  TRP   9           HE3      TRP   9   5.384   8.863 -10.004
   89    HZ2  TRP   9           HZ2      TRP   9   2.408   4.870  -9.762
   90    HZ3  TRP   9           HZ3      TRP   9   5.422   7.136 -11.756
   91    HH2  TRP   9           HH2      TRP   9   3.964   5.182 -11.635
   92    H    ARG  10           H        ARG  10   4.269   7.756  -4.960
   93    HA   ARG  10           HA       ARG  10   3.178   7.287  -3.021
   94    HB2  ARG  10           HB2      ARG  10   5.151   8.553  -2.067
   95    HB3  ARG  10           HB3      ARG  10   4.120   9.976  -2.029
   96    HG2  ARG  10           HG2      ARG  10   2.939   7.626  -0.758
   97    HG3  ARG  10           HG3      ARG  10   4.424   8.193   0.006
   98    HD2  ARG  10           HD2      ARG  10   2.595  10.350  -0.695
   99    HD3  ARG  10           HD3      ARG  10   1.898   9.193   0.438
  100    HE   ARG  10           HE       ARG  10   4.014  11.065   0.955
  101   HH11  ARG  10          HH11      ARG  10   2.576   8.040   1.907
  102   HH12  ARG  10          HH12      ARG  10   3.197   8.104   3.522
  103   HH21  ARG  10          HH21      ARG  10   4.838  11.159   3.080
  104   HH22  ARG  10          HH22      ARG  10   4.483   9.880   4.189
  105    H    THR  11           H        THR  11   1.047   7.256  -3.358
  106    HA   THR  11           HA       THR  11  -0.389   9.825  -3.490
  107    HB   THR  11           HB       THR  11  -0.791   8.645  -5.509
  108    HG1  THR  11           HG1      THR  11  -2.688   9.484  -4.421
  109   HG21  THR  11          HG21      THR  11  -1.564   6.328  -5.593
  110   HG22  THR  11          HG22      THR  11  -0.002   6.438  -4.781
  111   HG23  THR  11          HG23      THR  11  -1.474   6.225  -3.834
  112   HH31  ALY  12          HH31      ALY  12  -7.252   1.839  -2.792
  113   HH32  ALY  12          HH32      ALY  12  -5.886   1.598  -1.675
  114   HH33  ALY  12          HH33      ALY  12  -7.364   0.621  -1.500
  115    HZ   ALY  12           HZ       ALY  12  -8.223   4.367  -1.196
  116    HE3  ALY  12           HE3      ALY  12  -6.643   5.844  -0.496
  117    HE2  ALY  12           HE2      ALY  12  -6.624   4.579   0.736
  118    HD3  ALY  12           HD3      ALY  12  -4.608   3.692   0.002
  119    HD2  ALY  12           HD2      ALY  12  -4.825   4.281  -1.651
  120    HG3  ALY  12           HG3      ALY  12  -4.526   6.630  -0.764
  121    HG2  ALY  12           HG2      ALY  12  -4.106   5.923   0.804
  122    HB3  ALY  12           HB3      ALY  12  -2.266   4.665  -0.278
  123    HB2  ALY  12           HB2      ALY  12  -2.675   5.404  -1.820
  124    HA   ALY  12           HA       ALY  12  -2.335   7.572  -0.043
  125    H    ALY  12           H        ALY  12  -0.402   6.568  -2.093
  126    H    GLN  13           H        GLN  13  -2.212   5.575   1.766
  127    HA   GLN  13           HA       GLN  13   0.551   5.804   2.735
  128    HB2  GLN  13           HB2      GLN  13  -2.087   5.909   4.017
  129    HB3  GLN  13           HB3      GLN  13  -0.915   4.918   4.876
  130    HG2  GLN  13           HG2      GLN  13   0.201   6.692   5.611
  131    HG3  GLN  13           HG3      GLN  13   0.196   7.458   4.023
  132   HE21  GLN  13          HE21      GLN  13  -0.835   9.309   3.924
  133   HE22  GLN  13          HE22      GLN  13  -2.144   9.807   4.934
  134    H    CYS  14           H        CYS  14   1.334   4.017   1.532
  135    HA   CYS  14           HA       CYS  14   0.280   1.468   1.417
  136    HB2  CYS  14           HB2      CYS  14   2.507   2.598   0.435
  137    HB3  CYS  14           HB3      CYS  14   3.225   1.678   1.755
  138    HN1  NH2  15           H1       CYS  14   3.244   1.419   3.642
  Start of MODEL   13
    1    H1   ACE   0           H01      ACE   0   3.083  -0.263  -1.624
    2    H2   ACE   0           H02      ACE   0   1.256  -0.706  -1.169
    3    H    TRP   1           H        TRP   1   3.309   1.760  -2.572
    4    HA   TRP   1           HA       TRP   1   0.898   3.006  -3.619
    5    HB2  TRP   1           HB2      TRP   1   3.742   3.828  -4.200
    6    HB3  TRP   1           HB3      TRP   1   2.283   4.811  -4.297
    7    HD1  TRP   1           HD1      TRP   1   1.001   4.534  -1.533
    8    HE1  TRP   1           HE1      TRP   1   2.179   5.351   0.604
    9    HE3  TRP   1           HE3      TRP   1   5.828   4.535  -3.217
   10    HZ2  TRP   1           HZ2      TRP   1   4.806   5.922   1.463
   11    HZ3  TRP   1           HZ3      TRP   1   7.614   5.231  -1.674
   12    HH2  TRP   1           HH2      TRP   1   7.112   5.911   0.617
   13    H    LYS   2           H        LYS   2   1.667   3.954  -6.046
   14    HA   LYS   2           HA       LYS   2   1.709   1.503  -7.649
   15    HB2  LYS   2           HB2      LYS   2  -0.158   3.074  -7.999
   16    HB3  LYS   2           HB3      LYS   2   0.989   4.333  -8.436
   17    HG2  LYS   2           HG2      LYS   2   1.645   3.147 -10.405
   18    HG3  LYS   2           HG3      LYS   2   0.694   1.737  -9.930
   19    HD2  LYS   2           HD2      LYS   2  -1.270   3.498  -9.915
   20    HD3  LYS   2           HD3      LYS   2  -0.200   4.361 -11.023
   21    HE2  LYS   2           HE2      LYS   2  -0.068   2.287 -12.397
   22    HE3  LYS   2           HE3      LYS   2  -1.278   1.562 -11.339
   23    HZ1  LYS   2           HZ1      LYS   2  -1.780   3.029 -13.579
   24    HZ2  LYS   2           HZ2      LYS   2  -2.903   2.647 -12.372
   25    HZ3  LYS   2           HZ3      LYS   2  -2.081   4.125 -12.326
   26    H    THR   3           H        THR   3   3.070   1.277  -9.462
   27    HA   THR   3           HA       THR   3   5.356   3.128  -9.565
   28    HB   THR   3           HB       THR   3   5.627   0.136  -9.866
   29    HG1  THR   3           HG1      THR   3   5.781   0.021  -7.761
   30   HG21  THR   3          HG21      THR   3   7.333   2.318 -10.460
   31   HG22  THR   3          HG22      THR   3   8.001   1.497  -9.048
   32   HG23  THR   3          HG23      THR   3   7.702   0.595 -10.535
   33    H    ILE   4           H        ILE   4   5.697   3.913 -11.533
   34    HA   ILE   4           HA       ILE   4   5.176   2.263 -13.880
   35    HB   ILE   4           HB       ILE   4   3.985   5.025 -13.629
   36   HG12  ILE   4          HG12      ILE   4   2.612   2.328 -13.598
   37   HG13  ILE   4          HG13      ILE   4   2.801   3.393 -12.209
   38   HG21  ILE   4          HG21      ILE   4   3.747   4.969 -15.833
   39   HG22  ILE   4          HG22      ILE   4   4.651   3.455 -15.872
   40   HG23  ILE   4          HG23      ILE   4   2.894   3.429 -15.729
   41   HD11  ILE   4          HD11      ILE   4   0.820   3.420 -14.310
   42   HD12  ILE   4          HD12      ILE   4   0.817   4.222 -12.739
   43   HD13  ILE   4          HD13      ILE   4   1.602   4.990 -14.119
   44   HH31  ALY   5          HH31      ALY   5   3.441   8.512 -15.105
   45   HH32  ALY   5          HH32      ALY   5   3.749   8.237 -13.373
   46   HH33  ALY   5          HH33      ALY   5   3.780   9.890 -14.032
   47    HZ   ALY   5           HZ       ALY   5   6.834   8.247 -15.765
   48    HE3  ALY   5           HE3      ALY   5   5.374   6.235 -15.550
   49    HE2  ALY   5           HE2      ALY   5   4.242   7.128 -16.569
   50    HD3  ALY   5           HD3      ALY   5   5.358   6.484 -18.401
   51    HD2  ALY   5           HD2      ALY   5   6.818   7.285 -17.804
   52    HG3  ALY   5           HG3      ALY   5   5.964   4.492 -16.970
   53    HG2  ALY   5           HG2      ALY   5   7.080   4.818 -18.303
   54    HB3  ALY   5           HB3      ALY   5   8.731   5.672 -16.890
   55    HB2  ALY   5           HB2      ALY   5   7.591   6.020 -15.597
   56    HA   ALY   5           HA       ALY   5   8.588   3.271 -16.443
   57    H    ALY   5           H        ALY   5   6.724   2.473 -15.355
   58    H    GLY   6           H        GLY   6   8.840   2.507 -13.698
   59    HA2  GLY   6           HA2      GLY   6  10.344   2.606 -11.963
   60    HA3  GLY   6           HA3      GLY   6  11.462   3.212 -13.177
   61   HH31  ALY   7          HH31      ALY   7  11.499   9.905 -17.532
   62   HH32  ALY   7          HH32      ALY   7  10.990  11.447 -16.801
   63   HH33  ALY   7          HH33      ALY   7  12.675  11.223 -17.326
   64    HZ   ALY   7           HZ       ALY   7  10.781  11.282 -14.824
   65    HE3  ALY   7           HE3      ALY   7   9.309   9.914 -13.874
   66    HE2  ALY   7           HE2      ALY   7  10.022   8.802 -15.046
   67    HD3  ALY   7           HD3      ALY   7  10.708   7.480 -13.373
   68    HD2  ALY   7           HD2      ALY   7  11.719   8.794 -12.756
   69    HG3  ALY   7           HG3      ALY   7  10.410   8.675 -10.915
   70    HG2  ALY   7           HG2      ALY   7   9.232   9.572 -11.886
   71    HB3  ALY   7           HB3      ALY   7   7.854   7.859 -11.427
   72    HB2  ALY   7           HB2      ALY   7   8.721   7.043 -12.721
   73    HA   ALY   7           HA       ALY   7  10.229   6.637 -10.328
   74    H    ALY   7           H        ALY   7   8.585   4.468 -11.455
   75    H    THR   8           H        THR   8   9.245   7.716  -8.600
   76    HA   THR   8           HA       THR   8   6.926   6.285  -7.484
   77    HB   THR   8           HB       THR   8   8.394   7.908  -5.569
   78    HG1  THR   8           HG1      THR   8  10.167   6.208  -5.623
   79   HG21  THR   8          HG21      THR   8   6.751   6.141  -5.024
   80   HG22  THR   8          HG22      THR   8   7.857   4.939  -5.692
   81   HG23  THR   8          HG23      THR   8   8.319   5.866  -4.264
   82    H    TRP   9           H        TRP   9   6.016   7.870  -5.578
   83    HA   TRP   9           HA       TRP   9   5.867  10.618  -6.066
   84    HB2  TRP   9           HB2      TRP   9   3.445  10.601  -6.963
   85    HB3  TRP   9           HB3      TRP   9   4.754  10.301  -8.105
   86    HD1  TRP   9           HD1      TRP   9   2.177   8.275  -6.031
   87    HE1  TRP   9           HE1      TRP   9   1.590   6.149  -7.358
   88    HE3  TRP   9           HE3      TRP   9   5.399   8.853  -9.958
   89    HZ2  TRP   9           HZ2      TRP   9   2.387   4.884  -9.753
   90    HZ3  TRP   9           HZ3      TRP   9   5.425   7.141 -11.725
   91    HH2  TRP   9           HH2      TRP   9   3.949   5.198 -11.623
   92    H    ARG  10           H        ARG  10   4.262   7.716  -4.924
   93    HA   ARG  10           HA       ARG  10   3.160   7.243  -2.992
   94    HB2  ARG  10           HB2      ARG  10   5.141   8.483  -2.022
   95    HB3  ARG  10           HB3      ARG  10   4.122   9.916  -1.976
   96    HG2  ARG  10           HG2      ARG  10   2.915   7.567  -0.727
   97    HG3  ARG  10           HG3      ARG  10   4.404   8.114   0.046
   98    HD2  ARG  10           HD2      ARG  10   3.417  10.426   0.066
   99    HD3  ARG  10           HD3      ARG  10   1.896   9.703  -0.457
  100    HE   ARG  10           HE       ARG  10   2.509   8.274   1.746
  101   HH11  ARG  10          HH11      ARG  10   2.335  11.693   1.112
  102   HH12  ARG  10          HH12      ARG  10   1.877  12.102   2.733
  103   HH21  ARG  10          HH21      ARG  10   1.907   8.800   3.882
  104   HH22  ARG  10          HH22      ARG  10   1.635  10.456   4.307
  105    H    THR  11           H        THR  11   1.032   7.234  -3.342
  106    HA   THR  11           HA       THR  11  -0.382   9.816  -3.451
  107    HB   THR  11           HB       THR  11  -0.783   8.665  -5.488
  108    HG1  THR  11           HG1      THR  11  -3.085   8.083  -5.194
  109   HG21  THR  11          HG21      THR  11  -1.573   6.356  -5.605
  110   HG22  THR  11          HG22      THR  11  -0.017   6.441  -4.781
  111   HG23  THR  11          HG23      THR  11  -1.498   6.231  -3.848
  112   HH31  ALY  12          HH31      ALY  12  -7.582   2.144  -0.966
  113   HH32  ALY  12          HH32      ALY  12  -7.741   0.660   0.004
  114   HH33  ALY  12          HH33      ALY  12  -8.500   2.172   0.558
  115    HZ   ALY  12           HZ       ALY  12  -6.474   2.990   2.462
  116    HE3  ALY  12           HE3      ALY  12  -5.641   5.239   1.721
  117    HE2  ALY  12           HE2      ALY  12  -4.462   3.951   1.984
  118    HD3  ALY  12           HD3      ALY  12  -4.137   3.592  -0.306
  119    HD2  ALY  12           HD2      ALY  12  -5.690   4.315  -0.744
  120    HG3  ALY  12           HG3      ALY  12  -4.687   6.289  -1.084
  121    HG2  ALY  12           HG2      ALY  12  -4.157   6.317   0.604
  122    HB3  ALY  12           HB3      ALY  12  -2.321   4.633  -0.305
  123    HB2  ALY  12           HB2      ALY  12  -2.703   5.382  -1.849
  124    HA   ALY  12           HA       ALY  12  -2.370   7.535  -0.047
  125    H    ALY  12           H        ALY  12  -0.432   6.541  -2.096
  126    H    GLN  13           H        GLN  13  -2.271   5.518   1.741
  127    HA   GLN  13           HA       GLN  13   0.486   5.723   2.733
  128    HB2  GLN  13           HB2      GLN  13  -2.014   5.058   4.293
  129    HB3  GLN  13           HB3      GLN  13  -0.420   5.402   4.953
  130    HG2  GLN  13           HG2      GLN  13  -0.909   7.645   3.490
  131    HG3  GLN  13           HG3      GLN  13  -2.523   7.223   4.059
  132   HE21  GLN  13          HE21      GLN  13   0.761   7.163   5.412
  133   HE22  GLN  13          HE22      GLN  13   0.356   7.985   6.876
  134    H    CYS  14           H        CYS  14   1.254   3.948   1.491
  135    HA   CYS  14           HA       CYS  14   0.195   1.404   1.357
  136    HB2  CYS  14           HB2      CYS  14   2.405   2.528   0.355
  137    HB3  CYS  14           HB3      CYS  14   3.144   1.625   1.674
  138    HN1  NH2  15           H1       CYS  14   2.003  -0.581   2.933
  Start of MODEL   14
    1    H1   ACE   0           H01      ACE   0   3.065  -0.236  -1.614
    2    H2   ACE   0           H02      ACE   0   1.240  -0.699  -1.179
    3    H    TRP   1           H        TRP   1   3.287   1.777  -2.569
    4    HA   TRP   1           HA       TRP   1   0.876   3.025  -3.615
    5    HB2  TRP   1           HB2      TRP   1   3.720   3.847  -4.196
    6    HB3  TRP   1           HB3      TRP   1   2.262   4.831  -4.290
    7    HD1  TRP   1           HD1      TRP   1   0.979   4.550  -1.527
    8    HE1  TRP   1           HE1      TRP   1   2.159   5.365   0.611
    9    HE3  TRP   1           HE3      TRP   1   5.806   4.552  -3.211
   10    HZ2  TRP   1           HZ2      TRP   1   4.787   5.934   1.470
   11    HZ3  TRP   1           HZ3      TRP   1   7.593   5.246  -1.669
   12    HH2  TRP   1           HH2      TRP   1   7.092   5.922   0.623
   13    H    LYS   2           H        LYS   2   1.647   3.975  -6.042
   14    HA   LYS   2           HA       LYS   2   1.682   1.526  -7.647
   15    HB2  LYS   2           HB2      LYS   2  -0.168   3.131  -7.987
   16    HB3  LYS   2           HB3      LYS   2   1.000   4.359  -8.455
   17    HG2  LYS   2           HG2      LYS   2   1.094   3.602 -10.538
   18    HG3  LYS   2           HG3      LYS   2   1.324   1.937 -10.001
   19    HD2  LYS   2           HD2      LYS   2  -1.226   2.065  -9.452
   20    HD3  LYS   2           HD3      LYS   2  -1.209   3.409 -10.595
   21    HE2  LYS   2           HE2      LYS   2   0.255   1.357 -11.813
   22    HE3  LYS   2           HE3      LYS   2  -1.153   0.574 -11.097
   23    HZ1  LYS   2           HZ1      LYS   2  -1.943   1.205 -13.142
   24    HZ2  LYS   2           HZ2      LYS   2  -2.412   2.533 -12.203
   25    HZ3  LYS   2           HZ3      LYS   2  -1.041   2.636 -13.190
   26    H    THR   3           H        THR   3   3.064   1.270  -9.429
   27    HA   THR   3           HA       THR   3   5.356   3.114  -9.537
   28    HB   THR   3           HB       THR   3   5.612   0.118  -9.821
   29    HG1  THR   3           HG1      THR   3   6.122   1.780  -7.559
   30   HG21  THR   3          HG21      THR   3   7.677   2.283  -9.402
   31   HG22  THR   3          HG22      THR   3   7.997   0.557  -9.577
   32   HG23  THR   3          HG23      THR   3   7.340   1.475 -10.932
   33    H    ILE   4           H        ILE   4   5.666   3.911 -11.503
   34    HA   ILE   4           HA       ILE   4   5.169   2.247 -13.847
   35    HB   ILE   4           HB       ILE   4   3.992   5.018 -13.643
   36   HG12  ILE   4          HG12      ILE   4   2.573   2.348 -13.521
   37   HG13  ILE   4          HG13      ILE   4   2.827   3.422 -12.149
   38   HG21  ILE   4          HG21      ILE   4   2.930   3.244 -15.671
   39   HG22  ILE   4          HG22      ILE   4   3.580   4.875 -15.827
   40   HG23  ILE   4          HG23      ILE   4   4.667   3.487 -15.853
   41   HD11  ILE   4          HD11      ILE   4   1.613   5.017 -14.061
   42   HD12  ILE   4          HD12      ILE   4   0.779   3.468 -14.174
   43   HD13  ILE   4          HD13      ILE   4   0.861   4.315 -12.629
   44   HH31  ALY   5          HH31      ALY   5   3.950  10.363 -13.956
   45   HH32  ALY   5          HH32      ALY   5   4.991  10.981 -15.261
   46   HH33  ALY   5          HH33      ALY   5   3.399  10.283 -15.646
   47    HZ   ALY   5           HZ       ALY   5   5.736   8.796 -16.821
   48    HE3  ALY   5           HE3      ALY   5   5.286   6.385 -15.668
   49    HE2  ALY   5           HE2      ALY   5   4.097   6.485 -16.969
   50    HD3  ALY   5           HD3      ALY   5   5.699   6.518 -18.633
   51    HD2  ALY   5           HD2      ALY   5   6.913   7.287 -17.601
   52    HG3  ALY   5           HG3      ALY   5   5.980   4.489 -16.981
   53    HG2  ALY   5           HG2      ALY   5   7.159   4.750 -18.275
   54    HB3  ALY   5           HB3      ALY   5   8.749   5.673 -16.809
   55    HB2  ALY   5           HB2      ALY   5   7.555   5.986 -15.557
   56    HA   ALY   5           HA       ALY   5   8.592   3.249 -16.399
   57    H    ALY   5           H        ALY   5   6.729   2.449 -15.309
   58    H    GLY   6           H        GLY   6   8.834   2.487 -13.651
   59    HA2  GLY   6           HA2      GLY   6  10.332   2.585 -11.911
   60    HA3  GLY   6           HA3      GLY   6  11.455   3.184 -13.123
   61   HH31  ALY   7          HH31      ALY   7  13.483  10.443 -17.466
   62   HH32  ALY   7          HH32      ALY   7  11.952   9.608 -17.824
   63   HH33  ALY   7          HH33      ALY   7  11.935  11.292 -17.249
   64    HZ   ALY   7           HZ       ALY   7  11.447   8.234 -15.388
   65    HE3  ALY   7           HE3      ALY   7  10.980  10.463 -13.686
   66    HE2  ALY   7           HE2      ALY   7   9.486   9.713 -14.255
   67    HD3  ALY   7           HD3      ALY   7  10.498   7.473 -13.533
   68    HD2  ALY   7           HD2      ALY   7  11.753   8.413 -12.713
   69    HG3  ALY   7           HG3      ALY   7  10.392   8.693 -10.956
   70    HG2  ALY   7           HG2      ALY   7   9.243   9.557 -11.989
   71    HB3  ALY   7           HB3      ALY   7   7.847   7.881 -11.420
   72    HB2  ALY   7           HB2      ALY   7   8.671   7.031 -12.720
   73    HA   ALY   7           HA       ALY   7  10.214   6.648 -10.336
   74    H    ALY   7           H        ALY   7   8.556   4.488 -11.479
   75    H    THR   8           H        THR   8   9.250   7.720  -8.602
   76    HA   THR   8           HA       THR   8   6.930   6.301  -7.473
   77    HB   THR   8           HB       THR   8   8.389   7.925  -5.560
   78    HG1  THR   8           HG1      THR   8  10.328   6.833  -5.628
   79   HG21  THR   8          HG21      THR   8   8.284   4.955  -5.437
   80   HG22  THR   8          HG22      THR   8   7.993   6.150  -4.173
   81   HG23  THR   8          HG23      THR   8   6.758   5.837  -5.391
   82    H    TRP   9           H        TRP   9   6.012   7.885  -5.581
   83    HA   TRP   9           HA       TRP   9   5.869  10.634  -6.066
   84    HB2  TRP   9           HB2      TRP   9   3.452  10.622  -6.973
   85    HB3  TRP   9           HB3      TRP   9   4.764  10.320  -8.109
   86    HD1  TRP   9           HD1      TRP   9   2.174   8.297  -6.051
   87    HE1  TRP   9           HE1      TRP   9   1.590   6.174  -7.382
   88    HE3  TRP   9           HE3      TRP   9   5.419   8.872  -9.959
   89    HZ2  TRP   9           HZ2      TRP   9   2.399   4.909  -9.773
   90    HZ3  TRP   9           HZ3      TRP   9   5.452   7.160 -11.727
   91    HH2  TRP   9           HH2      TRP   9   3.972   5.220 -11.633
   92    H    ARG  10           H        ARG  10   4.255   7.734  -4.934
   93    HA   ARG  10           HA       ARG  10   3.144   7.259  -3.006
   94    HB2  ARG  10           HB2      ARG  10   5.123   8.498  -2.029
   95    HB3  ARG  10           HB3      ARG  10   4.104   9.930  -1.983
   96    HG2  ARG  10           HG2      ARG  10   2.893   7.577  -0.745
   97    HG3  ARG  10           HG3      ARG  10   4.379   8.123   0.036
   98    HD2  ARG  10           HD2      ARG  10   2.016   9.887  -0.595
   99    HD3  ARG  10           HD3      ARG  10   2.333   9.156   0.978
  100    HE   ARG  10           HE       ARG  10   3.578  11.479  -0.117
  101   HH11  ARG  10          HH11      ARG  10   4.081   8.750   1.986
  102   HH12  ARG  10          HH12      ARG  10   5.303   9.535   2.929
  103   HH21  ARG  10          HH21      ARG  10   5.187  12.524   1.118
  104   HH22  ARG  10          HH22      ARG  10   5.931  11.682   2.435
  105    H    THR  11           H        THR  11   1.017   7.253  -3.358
  106    HA   THR  11           HA       THR  11  -0.393   9.837  -3.479
  107    HB   THR  11           HB       THR  11  -0.792   8.682  -5.512
  108    HG1  THR  11           HG1      THR  11  -2.700   9.530  -4.626
  109   HG21  THR  11          HG21      THR  11  -1.585   6.372  -5.624
  110   HG22  THR  11          HG22      THR  11  -0.028   6.460  -4.799
  111   HG23  THR  11          HG23      THR  11  -1.511   6.252  -3.866
  112   HH31  ALY  12          HH31      ALY  12  -9.128   6.671  -3.037
  113   HH32  ALY  12          HH32      ALY  12  -9.241   8.394  -3.473
  114   HH33  ALY  12          HH33      ALY  12  -7.700   7.524  -3.670
  115    HZ   ALY  12           HZ       ALY  12  -7.452   6.303  -1.315
  116    HE3  ALY  12           HE3      ALY  12  -5.727   8.102  -2.315
  117    HE2  ALY  12           HE2      ALY  12  -5.310   8.051  -0.600
  118    HD3  ALY  12           HD3      ALY  12  -5.730   5.398  -1.846
  119    HD2  ALY  12           HD2      ALY  12  -4.361   6.308  -2.500
  120    HG3  ALY  12           HG3      ALY  12  -4.244   6.626   0.315
  121    HG2  ALY  12           HG2      ALY  12  -4.598   4.915   0.032
  122    HB3  ALY  12           HB3      ALY  12  -2.391   4.683  -0.275
  123    HB2  ALY  12           HB2      ALY  12  -2.686   5.380  -1.861
  124    HA   ALY  12           HA       ALY  12  -2.388   7.572  -0.068
  125    H    ALY  12           H        ALY  12  -0.453   6.567  -2.114
  126    H    GLN  13           H        GLN  13  -2.302   5.554   1.721
  127    HA   GLN  13           HA       GLN  13   0.456   5.743   2.713
  128    HB2  GLN  13           HB2      GLN  13  -2.077   5.138   4.248
  129    HB3  GLN  13           HB3      GLN  13  -0.477   5.381   4.937
  130    HG2  GLN  13           HG2      GLN  13  -1.409   7.589   3.262
  131    HG3  GLN  13           HG3      GLN  13  -2.391   7.295   4.697
  132   HE21  GLN  13          HE21      GLN  13  -0.049   9.174   3.636
  133   HE22  GLN  13          HE22      GLN  13   0.876   9.409   5.076
  134    H    CYS  14           H        CYS  14   1.230   3.963   1.496
  135    HA   CYS  14           HA       CYS  14   0.154   1.426   1.343
  136    HB2  CYS  14           HB2      CYS  14   2.394   2.540   0.384
  137    HB3  CYS  14           HB3      CYS  14   3.099   1.614   1.706
  138    HN1  NH2  15           H1       CYS  14  -0.783   0.735   3.442
  Start of MODEL   15
    1    H1   ACE   0           H01      ACE   0   3.170  -0.129  -1.538
    2    H2   ACE   0           H02      ACE   0   1.360  -0.672  -1.142
    3    H    TRP   1           H        TRP   1   3.355   1.810  -2.566
    4    HA   TRP   1           HA       TRP   1   0.919   3.037  -3.587
    5    HB2  TRP   1           HB2      TRP   1   3.748   3.891  -4.194
    6    HB3  TRP   1           HB3      TRP   1   2.277   4.856  -4.282
    7    HD1  TRP   1           HD1      TRP   1   1.022   4.574  -1.505
    8    HE1  TRP   1           HE1      TRP   1   2.209   5.416   0.618
    9    HE3  TRP   1           HE3      TRP   1   5.834   4.628  -3.233
   10    HZ2  TRP   1           HZ2      TRP   1   4.837   6.022   1.450
   11    HZ3  TRP   1           HZ3      TRP   1   7.625   5.352  -1.709
   12    HH2  TRP   1           HH2      TRP   1   7.135   6.035   0.583
   13    H    LYS   2           H        LYS   2   1.662   3.980  -6.025
   14    HA   LYS   2           HA       LYS   2   1.702   1.524  -7.615
   15    HB2  LYS   2           HB2      LYS   2  -0.152   3.109  -7.971
   16    HB3  LYS   2           HB3      LYS   2   1.006   4.354  -8.421
   17    HG2  LYS   2           HG2      LYS   2   1.665   3.106 -10.370
   18    HG3  LYS   2           HG3      LYS   2   0.639   1.752  -9.891
   19    HD2  LYS   2           HD2      LYS   2  -1.252   3.562  -9.928
   20    HD3  LYS   2           HD3      LYS   2  -0.126   4.430 -10.975
   21    HE2  LYS   2           HE2      LYS   2  -0.950   3.229 -12.661
   22    HE3  LYS   2           HE3      LYS   2  -0.113   1.842 -11.965
   23    HZ1  LYS   2           HZ1      LYS   2  -2.943   2.506 -11.938
   24    HZ2  LYS   2           HZ2      LYS   2  -2.185   0.993 -11.970
   25    HZ3  LYS   2           HZ3      LYS   2  -2.328   1.837 -10.511
   26    H    THR   3           H        THR   3   3.074   1.261  -9.406
   27    HA   THR   3           HA       THR   3   5.367   3.103  -9.532
   28    HB   THR   3           HB       THR   3   5.590   0.098  -9.749
   29    HG1  THR   3           HG1      THR   3   5.443   0.253  -7.629
   30   HG21  THR   3          HG21      THR   3   7.547   2.369  -9.853
   31   HG22  THR   3          HG22      THR   3   8.057   0.763  -9.334
   32   HG23  THR   3          HG23      THR   3   7.379   0.994 -10.945
   33    H    ILE   4           H        ILE   4   5.684   3.880 -11.505
   34    HA   ILE   4           HA       ILE   4   5.179   2.202 -13.836
   35    HB   ILE   4           HB       ILE   4   3.981   4.964 -13.627
   36   HG12  ILE   4          HG12      ILE   4   2.610   2.268 -13.527
   37   HG13  ILE   4          HG13      ILE   4   2.807   3.364 -12.164
   38   HG21  ILE   4          HG21      ILE   4   3.704   4.858 -15.827
   39   HG22  ILE   4          HG22      ILE   4   4.646   3.367 -15.841
   40   HG23  ILE   4          HG23      ILE   4   2.890   3.299 -15.684
   41   HD11  ILE   4          HD11      ILE   4   0.885   4.307 -12.696
   42   HD12  ILE   4          HD12      ILE   4   1.588   4.841 -14.223
   43   HD13  ILE   4          HD13      ILE   4   0.752   3.291 -14.132
   44   HH31  ALY   5          HH31      ALY   5   5.842   9.501 -12.876
   45   HH32  ALY   5          HH32      ALY   5   5.498  10.558 -14.266
   46   HH33  ALY   5          HH33      ALY   5   4.375   9.241 -13.848
   47    HZ   ALY   5           HZ       ALY   5   6.190   8.675 -16.671
   48    HE3  ALY   5           HE3      ALY   5   5.563   6.230 -15.465
   49    HE2  ALY   5           HE2      ALY   5   4.225   6.745 -16.495
   50    HD3  ALY   5           HD3      ALY   5   5.378   6.322 -18.386
   51    HD2  ALY   5           HD2      ALY   5   6.821   7.150 -17.788
   52    HG3  ALY   5           HG3      ALY   5   6.003   4.354 -16.929
   53    HG2  ALY   5           HG2      ALY   5   7.121   4.682 -18.261
   54    HB3  ALY   5           HB3      ALY   5   8.757   5.563 -16.853
   55    HB2  ALY   5           HB2      ALY   5   7.609   5.929 -15.574
   56    HA   ALY   5           HA       ALY   5   8.631   3.171 -16.357
   57    H    ALY   5           H        ALY   5   6.779   2.368 -15.251
   58    H    GLY   6           H        GLY   6   8.865   2.463 -13.595
   59    HA2  GLY   6           HA2      GLY   6  10.351   2.608 -11.850
   60    HA3  GLY   6           HA3      GLY   6  11.474   3.200 -13.064
   61   HH31  ALY   7          HH31      ALY   7  10.588  11.407 -16.945
   62   HH32  ALY   7          HH32      ALY   7   9.150  11.717 -15.941
   63   HH33  ALY   7          HH33      ALY   7  10.353  13.004 -16.197
   64    HZ   ALY   7           HZ       ALY   7  12.071  10.100 -14.163
   65    HE3  ALY   7           HE3      ALY   7   9.324   9.639 -14.184
   66    HE2  ALY   7           HE2      ALY   7  10.117   8.420 -15.186
   67    HD3  ALY   7           HD3      ALY   7  10.726   7.311 -13.337
   68    HD2  ALY   7           HD2      ALY   7  11.701   8.700 -12.838
   69    HG3  ALY   7           HG3      ALY   7  10.316   8.759 -11.048
   70    HG2  ALY   7           HG2      ALY   7   9.193   9.560 -12.157
   71    HB3  ALY   7           HB3      ALY   7   7.799   7.907 -11.486
   72    HB2  ALY   7           HB2      ALY   7   8.609   7.025 -12.772
   73    HA   ALY   7           HA       ALY   7  10.163   6.711 -10.377
   74    H    ALY   7           H        ALY   7   8.535   4.518 -11.508
   75    H    THR   8           H        THR   8   9.260   7.695  -8.602
   76    HA   THR   8           HA       THR   8   6.916   6.309  -7.489
   77    HB   THR   8           HB       THR   8   8.439   7.980  -5.632
   78    HG1  THR   8           HG1      THR   8   9.701   5.744  -6.877
   79   HG21  THR   8          HG21      THR   8   7.076   5.378  -5.727
   80   HG22  THR   8          HG22      THR   8   8.492   5.432  -4.677
   81   HG23  THR   8          HG23      THR   8   7.163   6.566  -4.426
   82    H    TRP   9           H        TRP   9   5.993   7.907  -5.606
   83    HA   TRP   9           HA       TRP   9   5.831  10.649  -6.118
   84    HB2  TRP   9           HB2      TRP   9   3.411  10.612  -7.017
   85    HB3  TRP   9           HB3      TRP   9   4.723  10.310  -8.155
   86    HD1  TRP   9           HD1      TRP   9   2.155   8.284  -6.071
   87    HE1  TRP   9           HE1      TRP   9   1.583   6.144  -7.382
   88    HE3  TRP   9           HE3      TRP   9   5.383   8.851  -9.994
   89    HZ2  TRP   9           HZ2      TRP   9   2.395   4.866  -9.764
   90    HZ3  TRP   9           HZ3      TRP   9   5.424   7.124 -11.747
   91    HH2  TRP   9           HH2      TRP   9   3.960   5.173 -11.632
   92    H    ARG  10           H        ARG  10   4.238   7.750  -4.953
   93    HA   ARG  10           HA       ARG  10   3.135   7.287  -3.018
   94    HB2  ARG  10           HB2      ARG  10   5.110   8.546  -2.057
   95    HB3  ARG  10           HB3      ARG  10   4.084   9.974  -2.024
   96    HG2  ARG  10           HG2      ARG  10   2.892   7.625  -0.757
   97    HG3  ARG  10           HG3      ARG  10   4.373   8.195   0.014
   98    HD2  ARG  10           HD2      ARG  10   3.193  10.541  -0.262
   99    HD3  ARG  10           HD3      ARG  10   1.738   9.545  -0.290
  100    HE   ARG  10           HE       ARG  10   3.313   8.768   1.892
  101   HH11  ARG  10          HH11      ARG  10   1.417  11.477   0.805
  102   HH12  ARG  10          HH12      ARG  10   1.011  12.003   2.405
  103   HH21  ARG  10          HH21      ARG  10   2.787   9.449   4.004
  104   HH22  ARG  10          HH22      ARG  10   1.792  10.849   4.224
  105    H    THR  11           H        THR  11   1.007   7.266  -3.367
  106    HA   THR  11           HA       THR  11  -0.417   9.840  -3.525
  107    HB   THR  11           HB       THR  11  -0.829   8.632  -5.525
  108    HG1  THR  11           HG1      THR  11  -2.760   9.440  -4.861
  109   HG21  THR  11          HG21      THR  11  -0.048   6.433  -4.777
  110   HG22  THR  11          HG22      THR  11  -1.507   6.242  -3.805
  111   HG23  THR  11          HG23      THR  11  -1.623   6.316  -5.564
  112   HH31  ALY  12          HH31      ALY  12  -9.006   3.661  -2.816
  113   HH32  ALY  12          HH32      ALY  12  -8.715   3.621  -1.061
  114   HH33  ALY  12          HH33      ALY  12  -9.751   4.886  -1.763
  115    HZ   ALY  12           HZ       ALY  12  -7.964   6.166  -0.534
  116    HE3  ALY  12           HE3      ALY  12  -6.472   5.431   1.013
  117    HE2  ALY  12           HE2      ALY  12  -6.965   3.961   0.166
  118    HD3  ALY  12           HD3      ALY  12  -4.581   3.889   0.321
  119    HD2  ALY  12           HD2      ALY  12  -4.968   4.276  -1.361
  120    HG3  ALY  12           HG3      ALY  12  -4.619   6.696  -0.850
  121    HG2  ALY  12           HG2      ALY  12  -4.149   6.257   0.799
  122    HB3  ALY  12           HB3      ALY  12  -2.374   4.762  -0.240
  123    HB2  ALY  12           HB2      ALY  12  -2.760   5.504  -1.786
  124    HA   ALY  12           HA       ALY  12  -2.336   7.667  -0.015
  125    H    ALY  12           H        ALY  12  -0.435   6.612  -2.067
  126    H    GLN  13           H        GLN  13  -2.260   5.667   1.794
  127    HA   GLN  13           HA       GLN  13   0.514   5.820   2.741
  128    HB2  GLN  13           HB2      GLN  13  -2.132   5.597   4.139
  129    HB3  GLN  13           HB3      GLN  13  -0.649   5.128   4.960
  130    HG2  GLN  13           HG2      GLN  13   0.257   7.373   4.591
  131    HG3  GLN  13           HG3      GLN  13  -1.246   7.839   3.798
  132   HE21  GLN  13          HE21      GLN  13   0.167   8.731   6.300
  133   HE22  GLN  13          HE22      GLN  13  -1.049   8.665   7.526
  134    H    CYS  14           H        CYS  14   1.293   4.038   1.551
  135    HA   CYS  14           HA       CYS  14   0.197   1.511   1.377
  136    HB2  CYS  14           HB2      CYS  14   2.447   2.603   0.434
  137    HB3  CYS  14           HB3      CYS  14   3.141   1.693   1.773
  138    HN1  NH2  15           H1       CYS  14  -0.254   1.882   4.562
  Start of MODEL   16
    1    H1   ACE   0           H01      ACE   0   3.099  -0.208  -1.590
    2    H2   ACE   0           H02      ACE   0   1.304  -0.755  -1.220
    3    H    TRP   1           H        TRP   1   3.309   1.732  -2.617
    4    HA   TRP   1           HA       TRP   1   0.886   3.002  -3.624
    5    HB2  TRP   1           HB2      TRP   1   3.724   3.842  -4.207
    6    HB3  TRP   1           HB3      TRP   1   2.262   4.820  -4.285
    7    HD1  TRP   1           HD1      TRP   1   0.995   4.506  -1.516
    8    HE1  TRP   1           HE1      TRP   1   2.183   5.305   0.623
    9    HE3  TRP   1           HE3      TRP   1   5.813   4.546  -3.228
   10    HZ2  TRP   1           HZ2      TRP   1   4.814   5.878   1.473
   11    HZ3  TRP   1           HZ3      TRP   1   7.606   5.232  -1.690
   12    HH2  TRP   1           HH2      TRP   1   7.115   5.884   0.612
   13    H    LYS   2           H        LYS   2   1.650   3.972  -6.044
   14    HA   LYS   2           HA       LYS   2   1.685   1.536  -7.668
   15    HB2  LYS   2           HB2      LYS   2  -0.160   3.166  -7.983
   16    HB3  LYS   2           HB3      LYS   2   1.021   4.374  -8.474
   17    HG2  LYS   2           HG2      LYS   2   1.519   3.248 -10.463
   18    HG3  LYS   2           HG3      LYS   2   0.767   1.751  -9.905
   19    HD2  LYS   2           HD2      LYS   2  -1.377   3.293  -9.778
   20    HD3  LYS   2           HD3      LYS   2  -0.486   4.228 -10.981
   21    HE2  LYS   2           HE2      LYS   2  -1.202   2.813 -12.535
   22    HE3  LYS   2           HE3      LYS   2  -0.253   1.545 -11.761
   23    HZ1  LYS   2           HZ1      LYS   2  -2.082   0.764 -10.611
   24    HZ2  LYS   2           HZ2      LYS   2  -2.950   2.208 -10.770
   25    HZ3  LYS   2           HZ3      LYS   2  -2.759   1.185 -12.104
   26    H    THR   3           H        THR   3   3.068   1.289  -9.450
   27    HA   THR   3           HA       THR   3   5.359   3.134  -9.553
   28    HB   THR   3           HB       THR   3   5.573   0.126  -9.759
   29    HG1  THR   3           HG1      THR   3   6.133   1.922  -7.624
   30   HG21  THR   3          HG21      THR   3   8.061   0.871  -9.331
   31   HG22  THR   3          HG22      THR   3   7.381   0.895 -10.958
   32   HG23  THR   3          HG23      THR   3   7.498   2.390 -10.030
   33    H    ILE   4           H        ILE   4   5.694   3.918 -11.521
   34    HA   ILE   4           HA       ILE   4   5.189   2.252 -13.862
   35    HB   ILE   4           HB       ILE   4   4.017   5.026 -13.654
   36   HG12  ILE   4          HG12      ILE   4   2.613   2.346 -13.549
   37   HG13  ILE   4          HG13      ILE   4   2.827   3.440 -12.186
   38   HG21  ILE   4          HG21      ILE   4   2.936   3.324 -15.707
   39   HG22  ILE   4          HG22      ILE   4   3.689   4.913 -15.848
   40   HG23  ILE   4          HG23      ILE   4   4.687   3.459 -15.867
   41   HD11  ILE   4          HD11      ILE   4   1.541   5.146 -13.528
   42   HD12  ILE   4          HD12      ILE   4   1.141   3.833 -14.634
   43   HD13  ILE   4          HD13      ILE   4   0.628   3.753 -12.949
   44   HH31  ALY   5          HH31      ALY   5   3.471  10.210 -15.936
   45   HH32  ALY   5          HH32      ALY   5   3.674  10.521 -14.195
   46   HH33  ALY   5          HH33      ALY   5   4.965  10.968 -15.338
   47    HZ   ALY   5           HZ       ALY   5   6.421   8.479 -15.845
   48    HE3  ALY   5           HE3      ALY   5   5.394   6.288 -15.606
   49    HE2  ALY   5           HE2      ALY   5   4.153   6.831 -16.740
   50    HD3  ALY   5           HD3      ALY   5   5.480   6.485 -18.530
   51    HD2  ALY   5           HD2      ALY   5   6.861   7.281 -17.763
   52    HG3  ALY   5           HG3      ALY   5   5.974   4.482 -17.006
   53    HG2  ALY   5           HG2      ALY   5   7.116   4.786 -18.324
   54    HB3  ALY   5           HB3      ALY   5   8.742   5.667 -16.889
   55    HB2  ALY   5           HB2      ALY   5   7.579   6.008 -15.616
   56    HA   ALY   5           HA       ALY   5   8.589   3.258 -16.446
   57    H    ALY   5           H        ALY   5   6.703   2.483 -15.378
   58    H    GLY   6           H        GLY   6   8.835   2.506 -13.697
   59    HA2  GLY   6           HA2      GLY   6  10.337   2.610 -11.961
   60    HA3  GLY   6           HA3      GLY   6  11.456   3.211 -13.174
   61   HH31  ALY   7          HH31      ALY   7  13.599   9.686 -16.000
   62   HH32  ALY   7          HH32      ALY   7  12.724   8.629 -17.132
   63   HH33  ALY   7          HH33      ALY   7  12.940  10.355 -17.510
   64    HZ   ALY   7           HZ       ALY   7  11.445   8.149 -15.439
   65    HE3  ALY   7           HE3      ALY   7   9.610  10.013 -14.208
   66    HE2  ALY   7           HE2      ALY   7   9.007   8.376 -14.485
   67    HD3  ALY   7           HD3      ALY   7  10.925   7.446 -13.240
   68    HD2  ALY   7           HD2      ALY   7  11.557   9.078 -12.982
   69    HG3  ALY   7           HG3      ALY   7  10.431   8.657 -10.981
   70    HG2  ALY   7           HG2      ALY   7   9.230   9.566 -11.910
   71    HB3  ALY   7           HB3      ALY   7   7.845   7.871 -11.415
   72    HB2  ALY   7           HB2      ALY   7   8.672   7.033 -12.720
   73    HA   ALY   7           HA       ALY   7  10.222   6.647 -10.343
   74    H    ALY   7           H        ALY   7   8.578   4.470 -11.455
   75    H    THR   8           H        THR   8   9.246   7.729  -8.612
   76    HA   THR   8           HA       THR   8   6.938   6.294  -7.476
   77    HB   THR   8           HB       THR   8   8.417   7.919  -5.571
   78    HG1  THR   8           HG1      THR   8  10.244   6.387  -5.599
   79   HG21  THR   8          HG21      THR   8   6.768   5.810  -5.426
   80   HG22  THR   8          HG22      THR   8   8.315   4.965  -5.380
   81   HG23  THR   8          HG23      THR   8   7.943   6.193  -4.169
   82    H    TRP   9           H        TRP   9   6.013   7.864  -5.583
   83    HA   TRP   9           HA       TRP   9   5.866  10.615  -6.051
   84    HB2  TRP   9           HB2      TRP   9   3.450  10.603  -6.960
   85    HB3  TRP   9           HB3      TRP   9   4.765  10.313  -8.097
   86    HD1  TRP   9           HD1      TRP   9   2.176   8.270  -6.058
   87    HE1  TRP   9           HE1      TRP   9   1.601   6.153  -7.403
   88    HE3  TRP   9           HE3      TRP   9   5.429   8.877  -9.954
   89    HZ2  TRP   9           HZ2      TRP   9   2.419   4.905  -9.800
   90    HZ3  TRP   9           HZ3      TRP   9   5.471   7.177 -11.732
   91    HH2  TRP   9           HH2      TRP   9   3.995   5.232 -11.655
   92    H    ARG  10           H        ARG  10   4.255   7.705  -4.940
   93    HA   ARG  10           HA       ARG  10   3.140   7.217  -3.018
   94    HB2  ARG  10           HB2      ARG  10   5.117   8.443  -2.026
   95    HB3  ARG  10           HB3      ARG  10   4.105   9.880  -1.976
   96    HG2  ARG  10           HG2      ARG  10   2.885   7.522  -0.751
   97    HG3  ARG  10           HG3      ARG  10   4.367   8.069   0.038
   98    HD2  ARG  10           HD2      ARG  10   2.405  10.158  -0.685
   99    HD3  ARG  10           HD3      ARG  10   1.936   9.055   0.607
  100    HE   ARG  10           HE       ARG  10   3.851  11.148   0.768
  101   HH11  ARG  10          HH11      ARG  10   3.135   7.946   1.930
  102   HH12  ARG  10          HH12      ARG  10   4.022   8.141   3.406
  103   HH21  ARG  10          HH21      ARG  10   5.022  11.418   2.707
  104   HH22  ARG  10          HH22      ARG  10   5.094  10.117   3.847
  105    H    THR  11           H        THR  11   1.013   7.217  -3.381
  106    HA   THR  11           HA       THR  11  -0.393   9.801  -3.501
  107    HB   THR  11           HB       THR  11  -0.808   8.624  -5.519
  108    HG1  THR  11           HG1      THR  11  -3.139   7.888  -5.021
  109   HG21  THR  11          HG21      THR  11  -0.044   6.410  -4.805
  110   HG22  THR  11          HG22      THR  11  -1.502   6.215  -3.834
  111   HG23  THR  11          HG23      THR  11  -1.620   6.313  -5.590
  112   HH31  ALY  12          HH31      ALY  12  -8.325   7.034   0.883
  113   HH32  ALY  12          HH32      ALY  12  -8.888   7.492  -0.742
  114   HH33  ALY  12          HH33      ALY  12  -9.962   6.585   0.350
  115    HZ   ALY  12           HZ       ALY  12  -7.562   4.222   0.672
  116    HE3  ALY  12           HE3      ALY  12  -6.390   3.426  -1.130
  117    HE2  ALY  12           HE2      ALY  12  -6.027   5.067  -1.670
  118    HD3  ALY  12           HD3      ALY  12  -5.005   4.119   1.000
  119    HD2  ALY  12           HD2      ALY  12  -4.173   3.620  -0.479
  120    HG3  ALY  12           HG3      ALY  12  -4.709   6.434  -0.655
  121    HG2  ALY  12           HG2      ALY  12  -3.982   6.110   0.926
  122    HB3  ALY  12           HB3      ALY  12  -2.288   4.661  -0.426
  123    HB2  ALY  12           HB2      ALY  12  -2.878   5.548  -1.824
  124    HA   ALY  12           HA       ALY  12  -2.345   7.590  -0.033
  125    H    ALY  12           H        ALY  12  -0.433   6.555  -2.085
  126    H    GLN  13           H        GLN  13  -2.271   5.576   1.760
  127    HA   GLN  13           HA       GLN  13   0.503   5.716   2.715
  128    HB2  GLN  13           HB2      GLN  13  -2.087   6.016   3.989
  129    HB3  GLN  13           HB3      GLN  13  -1.100   4.817   4.814
  130    HG2  GLN  13           HG2      GLN  13   0.701   6.448   5.039
  131    HG3  GLN  13           HG3      GLN  13  -0.284   7.650   4.207
  132   HE21  GLN  13          HE21      GLN  13   0.238   8.793   6.269
  133   HE22  GLN  13          HE22      GLN  13  -0.856   8.583   7.589
  134    H    CYS  14           H        CYS  14   1.279   3.921   1.560
  135    HA   CYS  14           HA       CYS  14   0.156   1.408   1.372
  136    HB2  CYS  14           HB2      CYS  14   2.484   2.508   0.535
  137    HB3  CYS  14           HB3      CYS  14   3.080   1.460   1.819
  138    HN1  NH2  15           H1       CYS  14  -0.572   0.094   3.447
  Start of MODEL   17
    1    H1   ACE   0           H01      ACE   0   3.153  -0.196  -1.538
    2    H2   ACE   0           H02      ACE   0   1.329  -0.645  -1.070
    3    H    TRP   1           H        TRP   1   3.359   1.819  -2.509
    4    HA   TRP   1           HA       TRP   1   0.936   3.029  -3.568
    5    HB2  TRP   1           HB2      TRP   1   3.769   3.868  -4.170
    6    HB3  TRP   1           HB3      TRP   1   2.303   4.838  -4.272
    7    HD1  TRP   1           HD1      TRP   1   1.034   4.585  -1.500
    8    HE1  TRP   1           HE1      TRP   1   2.216   5.438   0.622
    9    HE3  TRP   1           HE3      TRP   1   5.855   4.600  -3.204
   10    HZ2  TRP   1           HZ2      TRP   1   4.843   6.039   1.462
   11    HZ3  TRP   1           HZ3      TRP   1   7.642   5.329  -1.678
   12    HH2  TRP   1           HH2      TRP   1   7.145   6.033   0.605
   13    H    LYS   2           H        LYS   2   1.691   3.949  -6.010
   14    HA   LYS   2           HA       LYS   2   1.754   1.477  -7.579
   15    HB2  LYS   2           HB2      LYS   2  -0.130   3.049  -7.923
   16    HB3  LYS   2           HB3      LYS   2   1.016   4.282  -8.433
   17    HG2  LYS   2           HG2      LYS   2   1.262   3.395 -10.481
   18    HG3  LYS   2           HG3      LYS   2   1.198   1.735  -9.884
   19    HD2  LYS   2           HD2      LYS   2  -1.289   2.123  -9.523
   20    HD3  LYS   2           HD3      LYS   2  -1.092   3.591 -10.484
   21    HE2  LYS   2           HE2      LYS   2  -1.688   2.103 -12.120
   22    HE3  LYS   2           HE3      LYS   2   0.067   1.943 -12.170
   23    HZ1  LYS   2           HZ1      LYS   2  -1.926   0.014 -11.416
   24    HZ2  LYS   2           HZ2      LYS   2  -0.331  -0.223 -11.927
   25    HZ3  LYS   2           HZ3      LYS   2  -0.656   0.125 -10.303
   26    H    THR   3           H        THR   3   3.117   1.235  -9.384
   27    HA   THR   3           HA       THR   3   5.379   3.115  -9.523
   28    HB   THR   3           HB       THR   3   5.655   0.114  -9.749
   29    HG1  THR   3           HG1      THR   3   5.733   0.130  -7.642
   30   HG21  THR   3          HG21      THR   3   8.116   0.966  -9.229
   31   HG22  THR   3          HG22      THR   3   7.484   0.902 -10.874
   32   HG23  THR   3          HG23      THR   3   7.504   2.431  -9.996
   33    H    ILE   4           H        ILE   4   5.706   3.880 -11.502
   34    HA   ILE   4           HA       ILE   4   5.190   2.196 -13.826
   35    HB   ILE   4           HB       ILE   4   3.982   4.955 -13.609
   36   HG12  ILE   4          HG12      ILE   4   2.637   2.246 -13.509
   37   HG13  ILE   4          HG13      ILE   4   2.807   3.358 -12.155
   38   HG21  ILE   4          HG21      ILE   4   2.890   3.315 -15.676
   39   HG22  ILE   4          HG22      ILE   4   3.727   4.861 -15.810
   40   HG23  ILE   4          HG23      ILE   4   4.646   3.356 -15.831
   41   HD11  ILE   4          HD11      ILE   4   0.880   4.274 -12.713
   42   HD12  ILE   4          HD12      ILE   4   1.585   4.794 -14.244
   43   HD13  ILE   4          HD13      ILE   4   0.768   3.235 -14.134
   44   HH31  ALY   5          HH31      ALY   5   6.889  10.132 -14.653
   45   HH32  ALY   5          HH32      ALY   5   5.523  10.557 -13.592
   46   HH33  ALY   5          HH33      ALY   5   6.644   9.257 -13.123
   47    HZ   ALY   5           HZ       ALY   5   6.778   8.020 -15.563
   48    HE3  ALY   5           HE3      ALY   5   5.291   6.129 -15.588
   49    HE2  ALY   5           HE2      ALY   5   4.199   7.065 -16.612
   50    HD3  ALY   5           HD3      ALY   5   5.301   6.347 -18.424
   51    HD2  ALY   5           HD2      ALY   5   6.755   7.174 -17.850
   52    HG3  ALY   5           HG3      ALY   5   5.935   4.387 -16.960
   53    HG2  ALY   5           HG2      ALY   5   7.042   4.701 -18.306
   54    HB3  ALY   5           HB3      ALY   5   8.690   5.598 -16.917
   55    HB2  ALY   5           HB2      ALY   5   7.554   5.958 -15.626
   56    HA   ALY   5           HA       ALY   5   8.577   3.204 -16.424
   57    H    ALY   5           H        ALY   5   6.711   2.414 -15.331
   58    H    GLY   6           H        GLY   6   8.842   2.495 -13.664
   59    HA2  GLY   6           HA2      GLY   6  10.347   2.643 -11.935
   60    HA3  GLY   6           HA3      GLY   6  11.457   3.237 -13.161
   61   HH31  ALY   7          HH31      ALY   7  11.207  12.920 -12.432
   62   HH32  ALY   7          HH32      ALY   7  12.399  12.798 -13.747
   63   HH33  ALY   7          HH33      ALY   7  11.051  13.953 -13.871
   64    HZ   ALY   7           HZ       ALY   7  11.751  10.642 -13.556
   65    HE3  ALY   7           HE3      ALY   7   9.192   9.732 -14.127
   66    HE2  ALY   7           HE2      ALY   7  10.325   8.917 -15.209
   67    HD3  ALY   7           HD3      ALY   7  10.607   7.482 -13.479
   68    HD2  ALY   7           HD2      ALY   7  11.674   8.737 -12.837
   69    HG3  ALY   7           HG3      ALY   7  10.344   8.741 -11.019
   70    HG2  ALY   7           HG2      ALY   7   9.164   9.595 -12.024
   71    HB3  ALY   7           HB3      ALY   7   7.801   7.886 -11.498
   72    HB2  ALY   7           HB2      ALY   7   8.662   7.048 -12.780
   73    HA   ALY   7           HA       ALY   7  10.189   6.707 -10.386
   74    H    ALY   7           H        ALY   7   8.564   4.501 -11.472
   75    H    THR   8           H        THR   8   9.262   7.731  -8.628
   76    HA   THR   8           HA       THR   8   6.939   6.325  -7.496
   77    HB   THR   8           HB       THR   8   8.385   7.980  -5.601
   78    HG1  THR   8           HG1      THR   8  10.212   7.498  -6.820
   79   HG21  THR   8          HG21      THR   8   6.774   5.895  -5.387
   80   HG22  THR   8          HG22      THR   8   8.294   5.004  -5.476
   81   HG23  THR   8          HG23      THR   8   8.043   6.194  -4.198
   82    H    TRP   9           H        TRP   9   6.017   7.921  -5.612
   83    HA   TRP   9           HA       TRP   9   5.842  10.662  -6.128
   84    HB2  TRP   9           HB2      TRP   9   3.421  10.615  -7.019
   85    HB3  TRP   9           HB3      TRP   9   4.729  10.313  -8.160
   86    HD1  TRP   9           HD1      TRP   9   2.172   8.288  -6.061
   87    HE1  TRP   9           HE1      TRP   9   1.602   6.143  -7.364
   88    HE3  TRP   9           HE3      TRP   9   5.386   8.850  -9.997
   89    HZ2  TRP   9           HZ2      TRP   9   2.409   4.859  -9.745
   90    HZ3  TRP   9           HZ3      TRP   9   5.425   7.118 -11.745
   91    HH2  TRP   9           HH2      TRP   9   3.966   5.164 -11.619
   92    H    ARG  10           H        ARG  10   4.267   7.759  -4.952
   93    HA   ARG  10           HA       ARG  10   3.171   7.295  -3.013
   94    HB2  ARG  10           HB2      ARG  10   5.144   8.563  -2.060
   95    HB3  ARG  10           HB3      ARG  10   4.113   9.987  -2.027
   96    HG2  ARG  10           HG2      ARG  10   2.928   7.640  -0.752
   97    HG3  ARG  10           HG3      ARG  10   4.414   8.208   0.013
   98    HD2  ARG  10           HD2      ARG  10   3.255  10.556  -0.239
   99    HD3  ARG  10           HD3      ARG  10   1.788   9.580  -0.299
  100    HE   ARG  10           HE       ARG  10   1.982   9.275   1.948
  101   HH11  ARG  10          HH11      ARG  10   5.119  10.085   0.672
  102   HH12  ARG  10          HH12      ARG  10   5.883  10.134   2.226
  103   HH21  ARG  10          HH21      ARG  10   2.977   9.338   3.999
  104   HH22  ARG  10          HH22      ARG  10   4.663   9.709   4.118
  105    H    THR  11           H        THR  11   1.042   7.264  -3.355
  106    HA   THR  11           HA       THR  11  -0.393   9.834  -3.491
  107    HB   THR  11           HB       THR  11  -0.790   8.656  -5.513
  108    HG1  THR  11           HG1      THR  11  -2.884   8.930  -5.369
  109   HG21  THR  11          HG21      THR  11  -1.562   6.339  -5.601
  110   HG22  THR  11          HG22      THR  11  -0.003   6.448  -4.782
  111   HG23  THR  11          HG23      THR  11  -1.480   6.235  -3.841
  112   HH31  ALY  12          HH31      ALY  12  -3.829   3.415   4.444
  113   HH32  ALY  12          HH32      ALY  12  -4.639   4.552   5.548
  114   HH33  ALY  12          HH33      ALY  12  -5.194   2.865   5.443
  115    HZ   ALY  12           HZ       ALY  12  -4.253   4.757   2.838
  116    HE3  ALY  12           HE3      ALY  12  -6.483   4.029   1.348
  117    HE2  ALY  12           HE2      ALY  12  -6.193   5.755   1.114
  118    HD3  ALY  12           HD3      ALY  12  -3.774   4.040   0.996
  119    HD2  ALY  12           HD2      ALY  12  -4.948   3.772  -0.300
  120    HG3  ALY  12           HG3      ALY  12  -4.745   5.951  -1.121
  121    HG2  ALY  12           HG2      ALY  12  -4.151   6.587   0.421
  122    HB3  ALY  12           HB3      ALY  12  -2.261   4.667  -0.299
  123    HB2  ALY  12           HB2      ALY  12  -2.690   5.414  -1.831
  124    HA   ALY  12           HA       ALY  12  -2.354   7.577  -0.055
  125    H    ALY  12           H        ALY  12  -0.412   6.576  -2.097
  126    H    GLN  13           H        GLN  13  -2.231   5.583   1.759
  127    HA   GLN  13           HA       GLN  13   0.528   5.826   2.738
  128    HB2  GLN  13           HB2      GLN  13  -2.133   5.623   4.095
  129    HB3  GLN  13           HB3      GLN  13  -0.684   5.106   4.949
  130    HG2  GLN  13           HG2      GLN  13  -0.092   7.614   3.836
  131    HG3  GLN  13           HG3      GLN  13  -1.704   7.744   4.538
  132   HE21  GLN  13          HE21      GLN  13  -1.707   6.345   6.734
  133   HE22  GLN  13          HE22      GLN  13  -0.480   6.844   7.842
  134    H    CYS  14           H        CYS  14   1.309   4.037   1.528
  135    HA   CYS  14           HA       CYS  14   0.265   1.484   1.431
  136    HB2  CYS  14           HB2      CYS  14   2.476   2.612   0.424
  137    HB3  CYS  14           HB3      CYS  14   3.212   1.718   1.750
  138    HN1  NH2  15           H1       CYS  14   3.148   1.675   3.917
  Start of MODEL   18
    1    H1   ACE   0           H01      ACE   0   3.144  -0.196  -1.545
    2    H2   ACE   0           H02      ACE   0   1.320  -0.639  -1.073
    3    H    TRP   1           H        TRP   1   3.353   1.822  -2.514
    4    HA   TRP   1           HA       TRP   1   0.931   3.034  -3.573
    5    HB2  TRP   1           HB2      TRP   1   3.765   3.868  -4.177
    6    HB3  TRP   1           HB3      TRP   1   2.300   4.839  -4.279
    7    HD1  TRP   1           HD1      TRP   1   1.032   4.590  -1.505
    8    HE1  TRP   1           HE1      TRP   1   2.216   5.442   0.615
    9    HE3  TRP   1           HE3      TRP   1   5.851   4.598  -3.213
   10    HZ2  TRP   1           HZ2      TRP   1   4.844   6.040   1.453
   11    HZ3  TRP   1           HZ3      TRP   1   7.641   5.324  -1.688
   12    HH2  TRP   1           HH2      TRP   1   7.146   6.031   0.595
   13    H    LYS   2           H        LYS   2   1.685   3.952  -6.016
   14    HA   LYS   2           HA       LYS   2   1.745   1.479  -7.584
   15    HB2  LYS   2           HB2      LYS   2  -0.138   3.050  -7.930
   16    HB3  LYS   2           HB3      LYS   2   1.007   4.285  -8.436
   17    HG2  LYS   2           HG2      LYS   2   1.234   3.415 -10.489
   18    HG3  LYS   2           HG3      LYS   2   1.216   1.751  -9.897
   19    HD2  LYS   2           HD2      LYS   2  -1.329   2.338  -9.439
   20    HD3  LYS   2           HD3      LYS   2  -1.036   3.503 -10.732
   21    HE2  LYS   2           HE2      LYS   2  -0.034   1.514 -12.014
   22    HE3  LYS   2           HE3      LYS   2  -0.844   0.510 -10.814
   23    HZ1  LYS   2           HZ1      LYS   2  -2.542   0.637 -12.252
   24    HZ2  LYS   2           HZ2      LYS   2  -2.821   2.152 -11.549
   25    HZ3  LYS   2           HZ3      LYS   2  -1.962   2.039 -13.003
   26    H    THR   3           H        THR   3   3.107   1.234  -9.390
   27    HA   THR   3           HA       THR   3   5.371   3.110  -9.530
   28    HB   THR   3           HB       THR   3   5.668   0.118  -9.795
   29    HG1  THR   3           HG1      THR   3   6.407   1.716  -7.559
   30   HG21  THR   3          HG21      THR   3   8.079   0.700  -9.419
   31   HG22  THR   3          HG22      THR   3   7.408   1.303 -10.934
   32   HG23  THR   3          HG23      THR   3   7.630   2.398  -9.570
   33    H    ILE   4           H        ILE   4   5.691   3.880 -11.508
   34    HA   ILE   4           HA       ILE   4   5.175   2.198 -13.833
   35    HB   ILE   4           HB       ILE   4   3.969   4.956 -13.617
   36   HG12  ILE   4          HG12      ILE   4   2.613   2.252 -13.514
   37   HG13  ILE   4          HG13      ILE   4   2.802   3.354 -12.154
   38   HG21  ILE   4          HG21      ILE   4   2.875   3.298 -15.676
   39   HG22  ILE   4          HG22      ILE   4   3.693   4.854 -15.815
   40   HG23  ILE   4          HG23      ILE   4   4.630   3.361 -15.837
   41   HD11  ILE   4          HD11      ILE   4   0.991   3.527 -14.502
   42   HD12  ILE   4          HD12      ILE   4   0.662   3.812 -12.794
   43   HD13  ILE   4          HD13      ILE   4   1.542   5.016 -13.733
   44   HH31  ALY   5          HH31      ALY   5   3.252   8.522 -15.569
   45   HH32  ALY   5          HH32      ALY   5   3.391   7.819 -13.940
   46   HH33  ALY   5          HH33      ALY   5   3.379   9.586 -14.148
   47    HZ   ALY   5           HZ       ALY   5   6.706   8.086 -15.717
   48    HE3  ALY   5           HE3      ALY   5   5.249   6.103 -15.661
   49    HE2  ALY   5           HE2      ALY   5   4.195   6.979 -16.773
   50    HD3  ALY   5           HD3      ALY   5   5.442   6.305 -18.507
   51    HD2  ALY   5           HD2      ALY   5   6.850   7.128 -17.820
   52    HG3  ALY   5           HG3      ALY   5   5.968   4.362 -16.936
   53    HG2  ALY   5           HG2      ALY   5   7.103   4.622 -18.269
   54    HB3  ALY   5           HB3      ALY   5   8.731   5.563 -16.870
   55    HB2  ALY   5           HB2      ALY   5   7.573   5.923 -15.597
   56    HA   ALY   5           HA       ALY   5   8.615   3.169 -16.369
   57    H    ALY   5           H        ALY   5   6.769   2.364 -15.255
   58    H    GLY   6           H        GLY   6   8.861   2.476 -13.604
   59    HA2  GLY   6           HA2      GLY   6  10.352   2.638 -11.864
   60    HA3  GLY   6           HA3      GLY   6  11.469   3.228 -13.086
   61   HH31  ALY   7          HH31      ALY   7   8.737  10.748 -16.954
   62   HH32  ALY   7          HH32      ALY   7   9.229  10.146 -18.556
   63   HH33  ALY   7          HH33      ALY   7   8.196   9.146 -17.506
   64    HZ   ALY   7           HZ       ALY   7  10.916   7.963 -15.689
   65    HE3  ALY   7           HE3      ALY   7   9.755  10.140 -14.576
   66    HE2  ALY   7           HE2      ALY   7   8.584   8.842 -14.328
   67    HD3  ALY   7           HD3      ALY   7  10.706   7.483 -13.532
   68    HD2  ALY   7           HD2      ALY   7  11.400   9.093 -13.292
   69    HG3  ALY   7           HG3      ALY   7  10.443   8.654 -11.210
   70    HG2  ALY   7           HG2      ALY   7   9.184   9.606 -12.012
   71    HB3  ALY   7           HB3      ALY   7   7.783   7.937 -11.521
   72    HB2  ALY   7           HB2      ALY   7   8.578   7.041 -12.808
   73    HA   ALY   7           HA       ALY   7  10.150   6.750 -10.417
   74    H    ALY   7           H        ALY   7   8.527   4.545 -11.535
   75    H    THR   8           H        THR   8   9.282   7.693  -8.621
   76    HA   THR   8           HA       THR   8   6.934   6.321  -7.504
   77    HB   THR   8           HB       THR   8   8.384   7.975  -5.610
   78    HG1  THR   8           HG1      THR   8  10.365   7.210  -5.850
   79   HG21  THR   8          HG21      THR   8   8.067   6.175  -4.210
   80   HG22  THR   8          HG22      THR   8   6.767   5.913  -5.371
   81   HG23  THR   8          HG23      THR   8   8.266   4.995  -5.505
   82    H    TRP   9           H        TRP   9   6.018   7.919  -5.618
   83    HA   TRP   9           HA       TRP   9   5.845  10.661  -6.135
   84    HB2  TRP   9           HB2      TRP   9   3.422  10.617  -7.024
   85    HB3  TRP   9           HB3      TRP   9   4.729  10.313  -8.166
   86    HD1  TRP   9           HD1      TRP   9   2.173   8.291  -6.065
   87    HE1  TRP   9           HE1      TRP   9   1.598   6.147  -7.367
   88    HE3  TRP   9           HE3      TRP   9   5.382   8.849 -10.004
   89    HZ2  TRP   9           HZ2      TRP   9   2.400   4.861  -9.748
   90    HZ3  TRP   9           HZ3      TRP   9   5.417   7.118 -11.752
   91    HH2  TRP   9           HH2      TRP   9   3.956   5.165 -11.625
   92    H    ARG  10           H        ARG  10   4.267   7.759  -4.957
   93    HA   ARG  10           HA       ARG  10   3.172   7.297  -3.016
   94    HB2  ARG  10           HB2      ARG  10   5.147   8.562  -2.066
   95    HB3  ARG  10           HB3      ARG  10   4.119   9.988  -2.032
   96    HG2  ARG  10           HG2      ARG  10   2.932   7.644  -0.755
   97    HG3  ARG  10           HG3      ARG  10   4.419   8.209   0.008
   98    HD2  ARG  10           HD2      ARG  10   3.350  10.543  -0.115
   99    HD3  ARG  10           HD3      ARG  10   1.840   9.683  -0.415
  100    HE   ARG  10           HE       ARG  10   1.797   9.051   1.789
  101   HH11  ARG  10          HH11      ARG  10   4.955  10.286   1.002
  102   HH12  ARG  10          HH12      ARG  10   5.503  10.300   2.646
  103   HH21  ARG  10          HH21      ARG  10   2.507   9.064   3.957
  104   HH22  ARG  10          HH22      ARG  10   4.110   9.605   4.325
  105    H    THR  11           H        THR  11   1.043   7.269  -3.360
  106    HA   THR  11           HA       THR  11  -0.389   9.841  -3.493
  107    HB   THR  11           HB       THR  11  -0.789   8.664  -5.515
  108    HG1  THR  11           HG1      THR  11  -3.101   7.982  -5.120
  109   HG21  THR  11          HG21      THR  11  -1.564   6.348  -5.602
  110   HG22  THR  11          HG22      THR  11  -0.005   6.455  -4.786
  111   HG23  THR  11          HG23      THR  11  -1.480   6.243  -3.844
  112   HH31  ALY  12          HH31      ALY  12  -6.056   0.633   0.457
  113   HH32  ALY  12          HH32      ALY  12  -7.811   0.933   0.476
  114   HH33  ALY  12          HH33      ALY  12  -6.742   1.959  -0.509
  115    HZ   ALY  12           HZ       ALY  12  -4.925   2.995   1.214
  116    HE3  ALY  12           HE3      ALY  12  -7.007   4.088  -0.230
  117    HE2  ALY  12           HE2      ALY  12  -6.333   5.374   0.774
  118    HD3  ALY  12           HD3      ALY  12  -4.338   3.664  -0.607
  119    HD2  ALY  12           HD2      ALY  12  -5.349   4.654  -1.671
  120    HG3  ALY  12           HG3      ALY  12  -4.525   6.649  -0.837
  121    HG2  ALY  12           HG2      ALY  12  -4.151   5.959   0.750
  122    HB3  ALY  12           HB3      ALY  12  -2.287   4.685  -0.261
  123    HB2  ALY  12           HB2      ALY  12  -2.653   5.394  -1.828
  124    HA   ALY  12           HA       ALY  12  -2.351   7.586  -0.056
  125    H    ALY  12           H        ALY  12  -0.411   6.583  -2.100
  126    H    GLN  13           H        GLN  13  -2.228   5.592   1.757
  127    HA   GLN  13           HA       GLN  13   0.531   5.832   2.735
  128    HB2  GLN  13           HB2      GLN  13  -2.078   5.399   4.189
  129    HB3  GLN  13           HB3      GLN  13  -0.507   5.296   4.972
  130    HG2  GLN  13           HG2      GLN  13  -0.620   7.741   3.538
  131    HG3  GLN  13           HG3      GLN  13  -2.096   7.585   4.488
  132   HE21  GLN  13          HE21      GLN  13  -1.601   9.143   5.969
  133   HE22  GLN  13          HE22      GLN  13  -0.320   8.991   7.119
  134    H    CYS  14           H        CYS  14   1.309   4.042   1.522
  135    HA   CYS  14           HA       CYS  14   0.262   1.490   1.428
  136    HB2  CYS  14           HB2      CYS  14   2.471   2.615   0.413
  137    HB3  CYS  14           HB3      CYS  14   3.210   1.724   1.740
  138    HN1  NH2  15           H1       CYS  14   2.957   1.938   4.201
  Start of MODEL   19
    1    H1   ACE   0           H01      ACE   0   3.234  -0.141  -1.537
    2    H2   ACE   0           H02      ACE   0   1.432  -0.679  -1.119
    3    H    TRP   1           H        TRP   1   3.406   1.815  -2.560
    4    HA   TRP   1           HA       TRP   1   0.958   3.024  -3.575
    5    HB2  TRP   1           HB2      TRP   1   3.779   3.892  -4.197
    6    HB3  TRP   1           HB3      TRP   1   2.303   4.849  -4.281
    7    HD1  TRP   1           HD1      TRP   1   1.064   4.566  -1.497
    8    HE1  TRP   1           HE1      TRP   1   2.256   5.418   0.619
    9    HE3  TRP   1           HE3      TRP   1   5.866   4.642  -3.247
   10    HZ2  TRP   1           HZ2      TRP   1   4.885   6.040   1.437
   11    HZ3  TRP   1           HZ3      TRP   1   7.661   5.379  -1.735
   12    HH2  TRP   1           HH2      TRP   1   7.179   6.064   0.559
   13    H    LYS   2           H        LYS   2   1.685   3.965  -6.019
   14    HA   LYS   2           HA       LYS   2   1.735   1.505  -7.603
   15    HB2  LYS   2           HB2      LYS   2  -0.134   3.075  -7.953
   16    HB3  LYS   2           HB3      LYS   2   1.011   4.329  -8.412
   17    HG2  LYS   2           HG2      LYS   2   1.661   3.097 -10.367
   18    HG3  LYS   2           HG3      LYS   2   0.676   1.719  -9.874
   19    HD2  LYS   2           HD2      LYS   2  -1.249   3.514  -9.883
   20    HD3  LYS   2           HD3      LYS   2  -0.158   4.357 -10.985
   21    HE2  LYS   2           HE2      LYS   2  -1.331   3.116 -12.496
   22    HE3  LYS   2           HE3      LYS   2  -0.045   1.970 -12.119
   23    HZ1  LYS   2           HZ1      LYS   2  -2.853   1.760 -11.648
   24    HZ2  LYS   2           HZ2      LYS   2  -1.664   0.556 -11.613
   25    HZ3  LYS   2           HZ3      LYS   2  -1.963   1.490 -10.234
   26    H    THR   3           H        THR   3   3.097   1.252  -9.404
   27    HA   THR   3           HA       THR   3   5.376   3.111  -9.543
   28    HB   THR   3           HB       THR   3   5.634   0.110  -9.786
   29    HG1  THR   3           HG1      THR   3   6.012   0.045  -7.688
   30   HG21  THR   3          HG21      THR   3   7.501   0.855 -10.851
   31   HG22  THR   3          HG22      THR   3   7.475   2.419 -10.037
   32   HG23  THR   3          HG23      THR   3   8.091   0.997  -9.196
   33    H    ILE   4           H        ILE   4   5.680   3.889 -11.518
   34    HA   ILE   4           HA       ILE   4   5.171   2.208 -13.846
   35    HB   ILE   4           HB       ILE   4   3.953   4.960 -13.626
   36   HG12  ILE   4          HG12      ILE   4   2.616   2.247 -13.517
   37   HG13  ILE   4          HG13      ILE   4   2.789   3.361 -12.165
   38   HG21  ILE   4          HG21      ILE   4   4.597   3.328 -15.844
   39   HG22  ILE   4          HG22      ILE   4   2.841   3.342 -15.686
   40   HG23  ILE   4          HG23      ILE   4   3.726   4.861 -15.829
   41   HD11  ILE   4          HD11      ILE   4   1.557   4.813 -14.220
   42   HD12  ILE   4          HD12      ILE   4   0.757   3.242 -14.167
   43   HD13  ILE   4          HD13      ILE   4   0.840   4.239 -12.714
   44   HH31  ALY   5          HH31      ALY   5   3.779  10.237 -15.355
   45   HH32  ALY   5          HH32      ALY   5   3.179   8.562 -15.428
   46   HH33  ALY   5          HH33      ALY   5   3.283   9.405 -13.864
   47    HZ   ALY   5           HZ       ALY   5   6.708   8.066 -15.478
   48    HE3  ALY   5           HE3      ALY   5   5.243   6.159 -15.560
   49    HE2  ALY   5           HE2      ALY   5   4.185   7.081 -16.633
   50    HD3  ALY   5           HD3      ALY   5   5.379   6.405 -18.402
   51    HD2  ALY   5           HD2      ALY   5   6.815   7.197 -17.738
   52    HG3  ALY   5           HG3      ALY   5   5.919   4.437 -16.856
   53    HG2  ALY   5           HG2      ALY   5   7.004   4.688 -18.231
   54    HB3  ALY   5           HB3      ALY   5   8.704   5.586 -16.894
   55    HB2  ALY   5           HB2      ALY   5   7.604   5.963 -15.575
   56    HA   ALY   5           HA       ALY   5   8.598   3.206 -16.392
   57    H    ALY   5           H        ALY   5   6.764   2.384 -15.268
   58    H    GLY   6           H        GLY   6   8.859   2.475 -13.638
   59    HA2  GLY   6           HA2      GLY   6  10.361   2.610 -11.905
   60    HA3  GLY   6           HA3      GLY   6  11.472   3.213 -13.126
   61   HH31  ALY   7          HH31      ALY   7  12.603  10.532 -18.140
   62   HH32  ALY   7          HH32      ALY   7  13.465  11.068 -16.677
   63   HH33  ALY   7          HH33      ALY   7  13.344   9.332 -17.055
   64    HZ   ALY   7           HZ       ALY   7  12.202  10.284 -14.544
   65    HE3  ALY   7           HE3      ALY   7   9.977  10.245 -13.912
   66    HE2  ALY   7           HE2      ALY   7   9.678   8.850 -14.954
   67    HD3  ALY   7           HD3      ALY   7  10.592   7.350 -13.460
   68    HD2  ALY   7           HD2      ALY   7  11.723   8.535 -12.792
   69    HG3  ALY   7           HG3      ALY   7  10.326   8.754 -11.047
   70    HG2  ALY   7           HG2      ALY   7   9.194   9.557 -12.146
   71    HB3  ALY   7           HB3      ALY   7   7.808   7.901 -11.468
   72    HB2  ALY   7           HB2      ALY   7   8.605   7.028 -12.769
   73    HA   ALY   7           HA       ALY   7  10.184   6.697 -10.391
   74    H    ALY   7           H        ALY   7   8.549   4.509 -11.520
   75    H    THR   8           H        THR   8   9.220   7.762  -8.657
   76    HA   THR   8           HA       THR   8   6.917   6.329  -7.511
   77    HB   THR   8           HB       THR   8   8.441   8.010  -5.663
   78    HG1  THR   8           HG1      THR   8  10.249   7.362  -6.757
   79   HG21  THR   8          HG21      THR   8   8.509   5.464  -4.705
   80   HG22  THR   8          HG22      THR   8   7.178   6.591  -4.449
   81   HG23  THR   8          HG23      THR   8   7.088   5.402  -5.747
   82    H    TRP   9           H        TRP   9   5.996   7.923  -5.624
   83    HA   TRP   9           HA       TRP   9   5.815  10.664  -6.138
   84    HB2  TRP   9           HB2      TRP   9   3.391  10.611  -7.025
   85    HB3  TRP   9           HB3      TRP   9   4.697  10.315  -8.168
   86    HD1  TRP   9           HD1      TRP   9   2.153   8.279  -6.068
   87    HE1  TRP   9           HE1      TRP   9   1.586   6.134  -7.373
   88    HE3  TRP   9           HE3      TRP   9   5.356   8.858 -10.010
   89    HZ2  TRP   9           HZ2      TRP   9   2.391   4.856  -9.758
   90    HZ3  TRP   9           HZ3      TRP   9   5.396   7.129 -11.760
   91    HH2  TRP   9           HH2      TRP   9   3.945   5.170 -11.635
   92    H    ARG  10           H        ARG  10   4.245   7.758  -4.962
   93    HA   ARG  10           HA       ARG  10   3.155   7.291  -3.020
   94    HB2  ARG  10           HB2      ARG  10   5.127   8.562  -2.071
   95    HB3  ARG  10           HB3      ARG  10   4.094   9.984  -2.034
   96    HG2  ARG  10           HG2      ARG  10   2.923   7.629  -0.758
   97    HG3  ARG  10           HG3      ARG  10   4.405   8.209   0.005
   98    HD2  ARG  10           HD2      ARG  10   2.344  10.217  -0.731
   99    HD3  ARG  10           HD3      ARG  10   2.010   9.166   0.645
  100    HE   ARG  10           HE       ARG  10   4.556  10.136   1.042
  101   HH11  ARG  10          HH11      ARG  10   1.367  11.480   0.666
  102   HH12  ARG  10          HH12      ARG  10   1.692  12.865   1.653
  103   HH21  ARG  10          HH21      ARG  10   4.997  11.956   2.343
  104   HH22  ARG  10          HH22      ARG  10   3.758  13.136   2.607
  105    H    THR  11           H        THR  11   1.025   7.258  -3.357
  106    HA   THR  11           HA       THR  11  -0.415   9.823  -3.508
  107    HB   THR  11           HB       THR  11  -0.828   8.612  -5.506
  108    HG1  THR  11           HG1      THR  11  -2.963   8.726  -5.387
  109   HG21  THR  11          HG21      THR  11  -0.032   6.418  -4.762
  110   HG22  THR  11          HG22      THR  11  -1.487   6.219  -3.784
  111   HG23  THR  11          HG23      THR  11  -1.609   6.292  -5.542
  112   HH31  ALY  12          HH31      ALY  12  -6.301   0.581  -2.322
  113   HH32  ALY  12          HH32      ALY  12  -6.577   1.651  -0.925
  114   HH33  ALY  12          HH33      ALY  12  -7.951   1.101  -1.913
  115    HZ   ALY  12           HZ       ALY  12  -5.695   4.096  -3.323
  116    HE3  ALY  12           HE3      ALY  12  -6.050   3.654  -0.614
  117    HE2  ALY  12           HE2      ALY  12  -4.331   3.462  -0.972
  118    HD3  ALY  12           HD3      ALY  12  -4.725   5.711  -2.350
  119    HD2  ALY  12           HD2      ALY  12  -6.076   5.891  -1.222
  120    HG3  ALY  12           HG3      ALY  12  -4.283   6.988  -0.154
  121    HG2  ALY  12           HG2      ALY  12  -4.365   5.410   0.644
  122    HB3  ALY  12           HB3      ALY  12  -2.363   4.751  -0.155
  123    HB2  ALY  12           HB2      ALY  12  -2.667   5.422  -1.750
  124    HA   ALY  12           HA       ALY  12  -2.305   7.638   0.009
  125    H    ALY  12           H        ALY  12  -0.407   6.594  -2.051
  126    H    GLN  13           H        GLN  13  -2.207   5.640   1.818
  127    HA   GLN  13           HA       GLN  13   0.570   5.814   2.754
  128    HB2  GLN  13           HB2      GLN  13  -2.029   5.404   4.231
  129    HB3  GLN  13           HB3      GLN  13  -0.454   5.246   4.995
  130    HG2  GLN  13           HG2      GLN  13  -0.037   7.489   4.929
  131    HG3  GLN  13           HG3      GLN  13  -1.056   7.749   3.514
  132   HE21  GLN  13          HE21      GLN  13  -0.973   7.405   6.968
  133   HE22  GLN  13          HE22      GLN  13  -2.572   7.987   7.270
  134    H    CYS  14           H        CYS  14   1.355   4.036   1.561
  135    HA   CYS  14           HA       CYS  14   0.278   1.502   1.392
  136    HB2  CYS  14           HB2      CYS  14   2.521   2.613   0.447
  137    HB3  CYS  14           HB3      CYS  14   3.222   1.695   1.776
  138    HN1  NH2  15           H1       CYS  14   3.116   1.618   3.920
  Start of MODEL   20
    1    H1   ACE   0           H01      ACE   0   3.053  -0.256  -1.617
    2    H2   ACE   0           H02      ACE   0   1.229  -0.715  -1.185
    3    H    TRP   1           H        TRP   1   3.284   1.750  -2.581
    4    HA   TRP   1           HA       TRP   1   0.880   3.008  -3.628
    5    HB2  TRP   1           HB2      TRP   1   3.725   3.821  -4.207
    6    HB3  TRP   1           HB3      TRP   1   2.271   4.810  -4.301
    7    HD1  TRP   1           HD1      TRP   1   0.989   4.533  -1.537
    8    HE1  TRP   1           HE1      TRP   1   2.173   5.343   0.601
    9    HE3  TRP   1           HE3      TRP   1   5.816   4.515  -3.224
   10    HZ2  TRP   1           HZ2      TRP   1   4.804   5.900   1.459
   11    HZ3  TRP   1           HZ3      TRP   1   7.606   5.201  -1.682
   12    HH2  TRP   1           HH2      TRP   1   7.109   5.879   0.611
   13    H    LYS   2           H        LYS   2   1.656   3.953  -6.055
   14    HA   LYS   2           HA       LYS   2   1.694   1.501  -7.655
   15    HB2  LYS   2           HB2      LYS   2  -0.166   3.099  -7.990
   16    HB3  LYS   2           HB3      LYS   2   0.995   4.328  -8.472
   17    HG2  LYS   2           HG2      LYS   2   1.184   3.508 -10.540
   18    HG3  LYS   2           HG3      LYS   2   1.223   1.835  -9.979
   19    HD2  LYS   2           HD2      LYS   2  -1.324   2.278  -9.498
   20    HD3  LYS   2           HD3      LYS   2  -1.110   3.545 -10.708
   21    HE2  LYS   2           HE2      LYS   2   0.123   1.425 -11.897
   22    HE3  LYS   2           HE3      LYS   2  -1.178   0.629 -11.014
   23    HZ1  LYS   2           HZ1      LYS   2  -1.896   3.013 -12.524
   24    HZ2  LYS   2           HZ2      LYS   2  -1.496   1.643 -13.432
   25    HZ3  LYS   2           HZ3      LYS   2  -2.755   1.570 -12.302
   26    H    THR   3           H        THR   3   3.064   1.265  -9.457
   27    HA   THR   3           HA       THR   3   5.350   3.117  -9.562
   28    HB   THR   3           HB       THR   3   5.615   0.124  -9.861
   29    HG1  THR   3           HG1      THR   3   6.195   1.761  -7.597
   30   HG21  THR   3          HG21      THR   3   7.615   2.366  -9.570
   31   HG22  THR   3          HG22      THR   3   8.026   0.653  -9.496
   32   HG23  THR   3          HG23      THR   3   7.365   1.338 -10.981
   33    H    ILE   4           H        ILE   4   5.687   3.908 -11.528
   34    HA   ILE   4           HA       ILE   4   5.167   2.259 -13.877
   35    HB   ILE   4           HB       ILE   4   3.988   5.027 -13.635
   36   HG12  ILE   4          HG12      ILE   4   2.601   2.338 -13.571
   37   HG13  ILE   4          HG13      ILE   4   2.799   3.419 -12.196
   38   HG21  ILE   4          HG21      ILE   4   2.887   3.403 -15.717
   39   HG22  ILE   4          HG22      ILE   4   3.720   4.953 -15.836
   40   HG23  ILE   4          HG23      ILE   4   4.644   3.451 -15.869
   41   HD11  ILE   4          HD11      ILE   4   1.468   5.117 -13.410
   42   HD12  ILE   4          HD12      ILE   4   1.184   3.926 -14.679
   43   HD13  ILE   4          HD13      ILE   4   0.579   3.637 -13.049
   44   HH31  ALY   5          HH31      ALY   5   3.032   8.362 -14.458
   45   HH32  ALY   5          HH32      ALY   5   3.261  10.084 -14.848
   46   HH33  ALY   5          HH33      ALY   5   3.326   8.861 -16.140
   47    HZ   ALY   5           HZ       ALY   5   6.680   8.191 -15.498
   48    HE3  ALY   5           HE3      ALY   5   5.392   6.217 -15.577
   49    HE2  ALY   5           HE2      ALY   5   4.246   7.016 -16.658
   50    HD3  ALY   5           HD3      ALY   5   5.454   6.424 -18.451
   51    HD2  ALY   5           HD2      ALY   5   6.885   7.228 -17.791
   52    HG3  ALY   5           HG3      ALY   5   6.000   4.447 -16.949
   53    HG2  ALY   5           HG2      ALY   5   7.135   4.741 -18.275
   54    HB3  ALY   5           HB3      ALY   5   8.771   5.625 -16.858
   55    HB2  ALY   5           HB2      ALY   5   7.616   5.984 -15.581
   56    HA   ALY   5           HA       ALY   5   8.626   3.227 -16.387
   57    H    ALY   5           H        ALY   5   6.765   2.429 -15.293
   58    H    GLY   6           H        GLY   6   8.853   2.493 -13.632
   59    HA2  GLY   6           HA2      GLY   6  10.340   2.613 -11.884
   60    HA3  GLY   6           HA3      GLY   6  11.468   3.209 -13.092
   61   HH31  ALY   7          HH31      ALY   7  11.508   6.951 -17.790
   62   HH32  ALY   7          HH32      ALY   7  12.618   8.334 -17.634
   63   HH33  ALY   7          HH33      ALY   7  12.471   7.156 -16.309
   64    HZ   ALY   7           HZ       ALY   7  11.320  10.204 -15.841
   65    HE3  ALY   7           HE3      ALY   7  10.299  10.466 -13.899
   66    HE2  ALY   7           HE2      ALY   7   9.248   9.212 -14.564
   67    HD3  ALY   7           HD3      ALY   7  10.611   7.470 -13.469
   68    HD2  ALY   7           HD2      ALY   7  11.690   8.713 -12.820
   69    HG3  ALY   7           HG3      ALY   7  10.351   8.735 -11.010
   70    HG2  ALY   7           HG2      ALY   7   9.183   9.598 -12.022
   71    HB3  ALY   7           HB3      ALY   7   7.804   7.902 -11.494
   72    HB2  ALY   7           HB2      ALY   7   8.658   7.056 -12.776
   73    HA   ALY   7           HA       ALY   7  10.177   6.705 -10.376
   74    H    ALY   7           H        ALY   7   8.534   4.533 -11.528
   75    H    THR   8           H        THR   8   9.297   7.651  -8.578
   76    HA   THR   8           HA       THR   8   6.937   6.281  -7.486
   77    HB   THR   8           HB       THR   8   8.395   7.894  -5.564
   78    HG1  THR   8           HG1      THR   8  10.317   7.439  -6.388
   79   HG21  THR   8          HG21      THR   8   6.751   5.878  -5.324
   80   HG22  THR   8          HG22      THR   8   8.211   4.909  -5.528
   81   HG23  THR   8          HG23      THR   8   8.093   6.055  -4.193
   82    H    TRP   9           H        TRP   9   6.027   7.862  -5.584
   83    HA   TRP   9           HA       TRP   9   5.884  10.612  -6.063
   84    HB2  TRP   9           HB2      TRP   9   3.465  10.604  -6.965
   85    HB3  TRP   9           HB3      TRP   9   4.775  10.304  -8.104
   86    HD1  TRP   9           HD1      TRP   9   2.190   8.277  -6.042
   87    HE1  TRP   9           HE1      TRP   9   1.600   6.158  -7.377
   88    HE3  TRP   9           HE3      TRP   9   5.422   8.860  -9.960
   89    HZ2  TRP   9           HZ2      TRP   9   2.400   4.898  -9.774
   90    HZ3  TRP   9           HZ3      TRP   9   5.448   7.152 -11.732
   91    HH2  TRP   9           HH2      TRP   9   3.968   5.213 -11.639
   92    H    ARG  10           H        ARG  10   4.271   7.711  -4.932
   93    HA   ARG  10           HA       ARG  10   3.162   7.233  -3.004
   94    HB2  ARG  10           HB2      ARG  10   5.145   8.463  -2.026
   95    HB3  ARG  10           HB3      ARG  10   4.134   9.900  -1.978
   96    HG2  ARG  10           HG2      ARG  10   2.913   7.553  -0.739
   97    HG3  ARG  10           HG3      ARG  10   4.402   8.092   0.040
   98    HD2  ARG  10           HD2      ARG  10   2.730  10.342  -0.611
   99    HD3  ARG  10           HD3      ARG  10   1.829   9.159   0.339
  100    HE   ARG  10           HE       ARG  10   4.418   9.721   1.425
  101   HH11  ARG  10          HH11      ARG  10   1.117  10.814   1.257
  102   HH12  ARG  10          HH12      ARG  10   1.186  11.667   2.762
  103   HH21  ARG  10          HH21      ARG  10   4.522  10.841   3.410
  104   HH22  ARG  10          HH22      ARG  10   3.122  11.682   3.986
  105    H    THR  11           H        THR  11   1.035   7.234  -3.364
  106    HA   THR  11           HA       THR  11  -0.369   9.822  -3.469
  107    HB   THR  11           HB       THR  11  -0.773   8.673  -5.506
  108    HG1  THR  11           HG1      THR  11  -2.794   9.211  -5.225
  109   HG21  THR  11          HG21      THR  11  -0.015   6.447  -4.804
  110   HG22  THR  11          HG22      THR  11  -1.494   6.241  -3.864
  111   HG23  THR  11          HG23      THR  11  -1.576   6.367  -5.622
  112   HH31  ALY  12          HH31      ALY  12  -8.197   8.072  -4.106
  113   HH32  ALY  12          HH32      ALY  12  -6.538   8.329  -4.697
  114   HH33  ALY  12          HH33      ALY  12  -7.253   6.698  -4.725
  115    HZ   ALY  12           HZ       ALY  12  -7.274   5.593  -2.829
  116    HE3  ALY  12           HE3      ALY  12  -6.449   6.531  -0.162
  117    HE2  ALY  12           HE2      ALY  12  -7.148   4.947  -0.508
  118    HD3  ALY  12           HD3      ALY  12  -5.178   4.117  -1.218
  119    HD2  ALY  12           HD2      ALY  12  -4.866   5.526  -2.242
  120    HG3  ALY  12           HG3      ALY  12  -4.309   6.751  -0.015
  121    HG2  ALY  12           HG2      ALY  12  -4.205   5.128   0.684
  122    HB3  ALY  12           HB3      ALY  12  -2.279   4.630  -0.394
  123    HB2  ALY  12           HB2      ALY  12  -2.770   5.450  -1.870
  124    HA   ALY  12           HA       ALY  12  -2.367   7.548  -0.065
  125    H    ALY  12           H        ALY  12  -0.429   6.548  -2.111
  126    H    GLN  13           H        GLN  13  -2.274   5.531   1.724
  127    HA   GLN  13           HA       GLN  13   0.486   5.722   2.711
  128    HB2  GLN  13           HB2      GLN  13  -1.650   6.582   3.994
  129    HB3  GLN  13           HB3      GLN  13  -1.798   4.891   4.451
  130    HG2  GLN  13           HG2      GLN  13   0.423   4.940   5.432
  131    HG3  GLN  13           HG3      GLN  13   0.618   6.620   4.934
  132   HE21  GLN  13          HE21      GLN  13   0.055   8.140   6.326
  133   HE22  GLN  13          HE22      GLN  13  -0.909   7.908   7.740
  134    H    CYS  14           H        CYS  14   1.256   3.930   1.513
  135    HA   CYS  14           HA       CYS  14   0.167   1.398   1.371
  136    HB2  CYS  14           HB2      CYS  14   2.437   2.512   0.441
  137    HB3  CYS  14           HB3      CYS  14   3.106   1.534   1.743
  138    HN1  NH2  15           H1       CYS  14  -0.436   0.012   3.440