*HEADER    TOXIN                                   28-JUL-16   5L1C              
*TITLE     HETERONUCLEAR SOLUTION STRUCTURE OF CHLOROTOXIN                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHLOROTOXIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CLTX;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: LEIURUS QUINQUESTRIATUS QUINQUESTRIATUS;        
*SOURCE   3 ORGANISM_COMMON: EGYPTIAN SCORPION;                                  
*SOURCE   4 ORGANISM_TAXID: 6885;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: SHUFFLE;                                   
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PLIC-C                                    
*KEYWDS    SCORPION TOXIN, VENOM, PEPTIDE DISULFIDE RICH PEPTIDE, TOXIN          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.MOBLI,C.B.BRAGA,G.SHARMA                                            
*REVDAT   1   09-AUG-17 5L1C    0                                                
# Restraints file 1: final.upl
  5 CYSS H      32 GLN  HA      3.92            #peak 1 #SUP 0.97 #QF 0.92
  4 PRO  HB2     5 CYSS H       4.26            #peak 5 #SUP 0.98 #QF 0.98
  4 PRO  HB3     5 CYSS H       4.26            #peak 6 #SUP 1.00
  5 CYSS H      33 CYSS HA      4.66            #peak 7 #SUP 0.94 #QF 0.94
  5 CYSS H      33 CYSS H       4.49            #peak 9 #SUP 1.00 #QF 0.90
 11 GLN  H      12 MET  HB2     4.61            #peak 13 #SUP 0.98 #QF 0.98
 11 GLN  H      11 GLN  HG2     4.41            #peak 14 #SUP 0.93 #QF 0.87
 11 GLN  H      11 GLN  HB2     3.80            #peak 15 #SUP 1.00
 31 PRO  HD2    32 GLN  H       4.05            #peak 19 #SUP 0.99 #QF 0.99
  5 CYSS HB3    32 GLN  H       4.28            #peak 20 #SUP 0.82 #QF 0.82
  5 CYSS HB2    32 GLN  H       4.81            #peak 21 #SUP 0.93 #QF 0.93
 32 GLN  H      32 GLN  HB3     3.92            #peak 22 #SUP 1.00
 32 GLN  H      32 GLN  HB2     3.79            #peak 23 #SUP 0.99 #QF 0.99
 33 CYSS HA     34 LEU  H       2.89            #peak 27 #SUP 0.60 #QF 0.60
 33 CYSS HB2    34 LEU  H       4.53            #peak 29 #SUP 0.89 #QF 0.89
 34 LEU  H      34 LEU  HG      3.73            #peak 31 #SUP 0.99 #QF 0.99
 34 LEU  H      34 LEU  HB3     4.00            #peak 32 #SUP 1.00
 34 LEU  H      34 LEU  QD2     4.53            #peak 33 #SUP 1.00
 34 LEU  H      34 LEU  QD1     4.67            #peak 34 #SUP 1.00
 34 LEU  H      35 CYSS H       5.02            #peak 35 #SUP 1.00
 29 TYR  QD     34 LEU  H       4.21            #peak 37 #SUP 0.98 #QF 0.98
 29 TYR  QE     34 LEU  H       5.50            #peak 38 #SUP 0.99 #QF 0.99
 32 GLN  HA     33 CYSS H       3.42            #peak 40 #SUP 0.97 #QF 0.97
 33 CYSS H      33 CYSS HB3     3.41            #peak 41 #SUP 0.96 #QF 0.96
 33 CYSS H      33 CYSS HB2     3.76            #peak 42 #SUP 0.99 #QF 0.99
 32 GLN  QG     33 CYSS H       4.44            #peak 43 #SUP 0.85 #QF 0.85
 32 GLN  HB3    33 CYSS H       3.77            #peak 44 #SUP 0.96 #QF 0.96
 32 GLN  HB2    33 CYSS H       4.28            #peak 45 #SUP 0.98 #QF 0.98
  3 MET  H      33 CYSS H       4.59            #peak 46 #SUP 0.80 #QF 0.80
 29 TYR  H      34 LEU  HG      4.90            #peak 52 #SUP 0.98 #QF 0.98
 28 CYSS H      29 TYR  H       4.65            #peak 59 #SUP 1.00
 29 TYR  H      29 TYR  QD      3.78            #peak 61 #SUP 0.99 #QF 0.99
 28 CYSS HA     29 TYR  H       2.84            #peak 63 #SUP 0.90 #QF 0.90
 35 CYSS HB2    36 ARG  H       4.40            #peak 65 #SUP 0.98 #QF 0.98
 36 ARG  H      36 ARG  QD      4.53            #peak 66 #SUP 1.00
 35 CYSS HB3    36 ARG  H       4.40            #peak 67 #SUP 0.99 #QF 0.99
 36 ARG  H      36 ARG  HB3     3.73            #peak 68 #SUP 1.00
 36 ARG  H      36 ARG  HG3     3.61            #peak 69 #SUP 1.00
 35 CYSS HA     36 ARG  H       2.99            #peak 70 #SUP 0.97 #QF 0.97
 26 GLY  HA2    36 ARG  H       4.23            #peak 71 #SUP 0.99 #QF 0.99
  6 PHE  HB3     9 ASP  H       3.78            #peak 74 #SUP 0.98 #QF 0.64
  8 THR  QG2     9 ASP  H       5.17            #peak 76 #SUP 0.94 #QF 0.71
 27 LYS  HA     28 CYSS H       2.76            #peak 77 #SUP 0.92 #QF 0.92
 28 CYSS H      28 CYSS HB3     3.13            #peak 78 #SUP 0.72 #QF 0.72
 27 LYS  QB     28 CYSS H       3.72            #peak 79 #SUP 1.00
 27 LYS  HG2    28 CYSS H       4.52            #peak 80 #SUP 0.99 #QF 0.99
 27 LYS  HG3    28 CYSS H       4.52            #peak 81 #SUP 1.00
 13 ALA  QB     28 CYSS H       5.21            #peak 82 #SUP 0.67 #QF 0.67
 32 GLN  QG     32 GLN  HE21    4.08            #peak 86 #SUP 1.00
  2 CYSS H       2 CYSS HB2     3.97            #peak 96 #SUP 1.00
  2 CYSS H       2 CYSS HB3     4.10            #peak 97 #SUP 0.90 #QF 0.90
  1 MET  QB      2 CYSS H       4.04            #peak 99 #SUP 0.92 #QF 0.92
  2 CYSS H       3 MET  H       4.23            #peak 100 #SUP 0.97 #QF 0.97
 26 GLY  HA3    27 LYS  H       3.46            #peak 105 #SUP 0.99 #QF 0.99
 27 LYS  H      27 LYS  QB      3.32            #peak 106 #SUP 1.00
 27 LYS  H      35 CYSS HA      4.36            #peak 107 #SUP 0.78 #QF 0.78
 26 GLY  HA2    27 LYS  H       3.00            #peak 108 #SUP 0.90 #QF 0.90
 27 LYS  H      34 LEU  H       4.31            #peak 109 #SUP 0.97 #QF 0.97
 29 TYR  HA     30 GLY  H       2.88            #peak 111 #SUP 0.80 #QF 0.80
 29 TYR  HB3    30 GLY  H       4.16            #peak 112 #SUP 0.98 #QF 0.98
 22 GLY  H      25 ARG  QD      4.57            #peak 121 #SUP 0.97 #QF 0.97
 17 ASP  HB3    22 GLY  H       4.91            #peak 122 #SUP 0.51 #QF 0.51
 22 GLY  H      25 ARG  HB3     4.42            #peak 123 #SUP 1.00
 22 GLY  H      25 ARG  HB2     3.73            #peak 124 #SUP 1.00
 22 GLY  H      25 ARG  HG3     4.29            #peak 125 #SUP 1.00
 21 GLY  H      22 GLY  H       3.29            #peak 126 #SUP 0.96 #QF 0.96
 15 LYS  H      15 LYS  HE2     4.56            #peak 128 #SUP 1.00
 15 LYS  H      15 LYS  HG3     4.01            #peak 129 #SUP 1.00
 12 MET  QE     15 LYS  H       4.44            #peak 131 #SUP 0.53 #QF 0.53
 15 LYS  H      15 LYS  HB2     2.95            #peak 132 #SUP 0.98 #QF 0.98
 15 LYS  H      15 LYS  QD      4.49            #peak 133 #SUP 1.00 #QF 0.65
 14 ARG  H      15 LYS  H       3.45            #peak 134 #SUP 0.95 #QF 0.95
  6 PHE  H       6 PHE  HB3     4.10            #peak 146 #SUP 1.00
  6 PHE  H      12 MET  HG2     3.34            #peak 147 #SUP 0.72 #QF 0.72
  6 PHE  H      12 MET  HG3     4.05            #peak 148 #SUP 0.95 #QF 0.92
  5 CYSS HA      6 PHE  H       3.07            #peak 150 #SUP 0.86 #QF 0.86
 17 ASP  HA     20 CYSS H       3.97            #peak 153 #SUP 0.76 #QF 0.76
 19 CYSS HB3    20 CYSS H       3.26            #peak 154 #SUP 0.96 #QF 0.96
 20 CYSS H      26 GLY  HA3     5.15            #peak 155 #SUP 0.99 #QF 0.99
 19 CYSS HB2    20 CYSS H       4.02            #peak 156 #SUP 1.00
 20 CYSS H      20 CYSS HB2     3.78            #peak 157 #SUP 0.99 #QF 0.99
 17 ASP  HB2    20 CYSS H       5.50            #peak 158 #SUP 0.92 #QF 0.92
 20 CYSS H      20 CYSS HB3     3.78            #peak 160 #SUP 0.91 #QF 0.91
 19 CYSS H      20 CYSS H       3.44            #peak 164 #SUP 0.97 #QF 0.97
 18 ASP  HA     21 GLY  H       4.39            #peak 169 #SUP 0.62 #QF 0.62
 20 CYSS HB3    21 GLY  H       5.11            #peak 171 #SUP 1.00
 13 ALA  HA     17 ASP  H       4.66            #peak 174 #SUP 0.99 #QF 0.99
 17 ASP  H      17 ASP  HB2     2.77            #peak 175 #SUP 0.79 #QF 0.79
 17 ASP  H      17 ASP  HB3     3.60            #peak 176 #SUP 0.99 #QF 0.99
 13 ALA  QB     17 ASP  H       4.63            #peak 177 #SUP 0.96 #QF 0.96
 15 LYS  HB2    17 ASP  H       5.50            #peak 179 #SUP 0.98 #QF 0.98
 17 ASP  H      18 ASP  H       3.44            #peak 182 #SUP 0.91 #QF 0.91
 16 CYSS H      17 ASP  H       3.41            #peak 183 #SUP 0.91 #QF 0.91
  7 THR  H       8 THR  H       4.63            #peak 204 #SUP 1.00
 23 LYS  HG3    24 GLY  H       4.68            #peak 207 #SUP 1.00
 34 LEU  HB2    35 CYSS H       4.43            #peak 209 #SUP 0.99 #QF 0.99
  1 MET  HA     35 CYSS H       5.02            #peak 210 #SUP 0.95 #QF 0.95
 27 LYS  QB     35 CYSS H       5.50            #peak 214 #SUP 0.45 #QF 0.45
 34 LEU  HB3    35 CYSS H       3.73            #peak 215 #SUP 0.96 #QF 0.96
 34 LEU  QD2    35 CYSS H       4.14            #peak 216 #SUP 0.96 #QF 0.96
 34 LEU  HA     35 CYSS H       2.80            #peak 219 #SUP 0.86 #QF 0.86
 16 CYSS H      16 CYSS HB3     3.67            #peak 223 #SUP 0.98 #QF 0.98
 12 MET  QE     16 CYSS H       5.50            #peak 224 #SUP 0.95 #QF 0.88
 15 LYS  HB2    16 CYSS H       4.13            #peak 225 #SUP 0.99 #QF 0.99
 13 ALA  HA     16 CYSS H       4.65            #peak 226 #SUP 0.99 #QF 0.99
 14 ARG  H      14 ARG  QG      4.13            #peak 231 #SUP 1.00
 14 ARG  H      14 ARG  QB      3.03            #peak 233 #SUP 0.97 #QF 0.97
 13 ALA  QB     14 ARG  H       3.58            #peak 234 #SUP 1.00
 22 GLY  HA2    23 LYS  H       3.29            #peak 237 #SUP 0.97 #QF 0.97
 22 GLY  HA3    23 LYS  H       3.29            #peak 239 #SUP 0.98 #QF 0.98
 23 LYS  H      23 LYS  HB3     2.96            #peak 240 #SUP 0.91 #QF 0.91
 23 LYS  H      23 LYS  HG2     4.79            #peak 241 #SUP 1.00
 16 CYSS HA     19 CYSS H       4.38            #peak 243 #SUP 0.85 #QF 0.85
 19 CYSS H      19 CYSS HB2     3.19            #peak 246 #SUP 0.96 #QF 0.96
 18 ASP  HB2    19 CYSS H       3.82            #peak 247 #SUP 0.99 #QF 0.99
 18 ASP  H      19 CYSS H       3.68            #peak 250 #SUP 0.97 #QF 0.97
 12 MET  H      12 MET  HB2     3.40            #peak 253 #SUP 0.94 #QF 0.94
 12 MET  H      12 MET  HB3     3.56            #peak 254 #SUP 0.61 #QF 0.61
 11 GLN  H      12 MET  H       3.49            #peak 257 #SUP 0.98 #QF 0.98
 12 MET  H      13 ALA  H       4.07            #peak 259 #SUP 0.85 #QF 0.85
 32 GLN  QG     32 GLN  HE22    4.08            #peak 260 #SUP 1.00
  7 THR  HB      8 THR  H       4.64            #peak 266 #SUP 0.60 #QF 0.60
  6 PHE  HB3     8 THR  H       4.39            #peak 268 #SUP 0.86 #QF 0.86
 24 GLY  QA     26 GLY  H       5.23            #peak 272 #SUP 0.87 #QF 0.87
 20 CYSS HB3    26 GLY  H       5.50            #peak 274 #SUP 1.00
 25 ARG  HB3    26 GLY  H       4.80            #peak 275 #SUP 1.00
 25 ARG  HB2    26 GLY  H       4.33            #peak 276 #SUP 0.99 #QF 0.99
 25 ARG  HG2    26 GLY  H       5.21            #peak 277 #SUP 0.85 #QF 0.85
 23 LYS  HA     25 ARG  H       3.75            #peak 284 #SUP 0.87 #QF 0.87
 25 ARG  H      25 ARG  HB2     3.41            #peak 286 #SUP 0.97 #QF 0.97
 25 ARG  H      25 ARG  HG3     3.46            #peak 287 #SUP 0.99 #QF 0.99
 24 GLY  H      25 ARG  H       3.87            #peak 288 #SUP 0.89 #QF 0.89
 25 ARG  H      26 GLY  H       4.63            #peak 289 #SUP 0.96 #QF 0.96
 12 MET  HB2    13 ALA  H       4.54            #peak 290 #SUP 1.00
 13 ALA  H      13 ALA  QB      3.03            #peak 294 #SUP 1.00
 13 ALA  H      14 ARG  H       3.66            #peak 296 #SUP 0.81 #QF 0.81
 17 ASP  HB3    18 ASP  H       3.90            #peak 299 #SUP 0.99 #QF 0.99
 18 ASP  H      23 LYS  HA      4.73            #peak 300 #SUP 0.64 #QF 0.64
 15 LYS  H      18 ASP  H       5.00            #peak 301 #SUP 0.89 #QF 0.89
 18 ASP  HB3    19 CYSS H       3.88            #peak 307 #SUP 0.99 #QF 0.99
 23 LYS  H      23 LYS  HB2     2.96            #peak 310 #SUP 0.90 #QF 0.90
 17 ASP  HB3    25 ARG  H       4.74            #peak 311 #SUP 0.91 #QF 0.91
 32 GLN  H      32 GLN  QG      3.49            #peak 313 #SUP 0.95 #QF 0.95
 11 GLN  H      12 MET  HA      5.41            #peak 316 #SUP 0.99 #QF 0.99
 11 GLN  H      11 GLN  HB3     4.19            #peak 318 #SUP 0.99 #QF 0.99
 11 GLN  H      11 GLN  HG3     4.41            #peak 319 #SUP 0.96 #QF 0.96
  6 PHE  HB2     9 ASP  H       4.74            #peak 321 #SUP 0.58 #QF 0.58
  6 PHE  QD      8 THR  H       4.58            #peak 325 #SUP 0.78 #QF 0.78
  6 PHE  H       6 PHE  QD      4.44            #peak 327 #SUP 0.95 #QF 0.95
  6 PHE  H       6 PHE  HB2     3.35            #peak 328 #SUP 0.79 #QF 0.79
  5 CYSS HB2     6 PHE  H       4.05            #peak 329 #SUP 0.97 #QF 0.97
  5 CYSS H       5 CYSS HB3     3.77            #peak 332 #SUP 0.81 #QF 0.81
  5 CYSS H      32 GLN  HB3     4.69            #peak 333 #SUP 0.53 #QF 0.53
  5 CYSS H      31 PRO  HA      4.16            #peak 334 #SUP 0.43 #QF 0.43
  5 CYSS H      33 CYSS HB2     4.37            #peak 336 #SUP 0.90 #QF 0.90
  1 MET  QE      5 CYSS H       5.39            #peak 337 #SUP 0.87 #QF 0.28
 26 GLY  HA3    36 ARG  H       3.86            #peak 340 #SUP 0.93 #QF 0.93
 36 ARG  H      36 ARG  HB2     3.73            #peak 342 #SUP 1.00
 36 ARG  H      36 ARG  HG2     3.61            #peak 343 #SUP 1.00
 28 CYSS HA     34 LEU  H       3.89            #peak 346 #SUP 0.89 #QF 0.89
 29 TYR  HB2    34 LEU  H       4.31            #peak 348 #SUP 0.98 #QF 0.98
  5 CYSS HB2    34 LEU  H       5.07            #peak 349 #SUP 0.85 #QF 0.85
 27 LYS  QB     34 LEU  H       4.22            #peak 351 #SUP 0.90 #QF 0.90
 34 LEU  H      34 LEU  HB2     3.36            #peak 352 #SUP 0.94 #QF 0.94
  1 MET  QB      3 MET  H       4.77            #peak 357 #SUP 0.94 #QF 0.94
  2 CYSS HB2     3 MET  H       4.35            #peak 359 #SUP 1.00
 29 TYR  HB2    30 GLY  H       4.71            #peak 362 #SUP 1.00
 29 TYR  H      29 TYR  HB2     3.31            #peak 364 #SUP 0.93 #QF 0.93
 29 TYR  H      30 GLY  H       4.43            #peak 368 #SUP 1.00
 28 CYSS H      28 CYSS HB2     3.13            #peak 369 #SUP 0.94 #QF 0.94
 25 ARG  HG3    26 GLY  H       5.50            #peak 372 #SUP 1.00
 20 CYSS HB2    26 GLY  H       5.50            #peak 375 #SUP 1.00
 26 GLY  H      36 ARG  QD      5.50            #peak 375 #SUP 1.00
 25 ARG  HA     26 GLY  H       3.35            #peak 377 #SUP 0.96 #QF 0.96
 25 ARG  H      25 ARG  HG2     3.57            #peak 379 #SUP 0.99 #QF 0.99
 23 LYS  HG2    24 GLY  H       4.68            #peak 381 #SUP 1.00
 23 LYS  H      23 LYS  HG3     4.79            #peak 385 #SUP 1.00
 18 ASP  HA     22 GLY  H       4.20            #peak 388 #SUP 0.93 #QF 0.93
 15 LYS  HA     19 CYSS H       4.08            #peak 394 #SUP 0.99 #QF 0.99
 19 CYSS H      19 CYSS HB3     3.27            #peak 398 #SUP 0.99 #QF 0.99
 15 LYS  HB3    19 CYSS H       5.50            #peak 403 #SUP 0.96 #QF 0.96
 19 CYSS H      20 CYSS HA      5.49            #peak 405 #SUP 1.00
 15 LYS  HA     18 ASP  H       4.41            #peak 407 #SUP 1.00
 18 ASP  H      18 ASP  HB2     3.28            #peak 408 #SUP 0.93 #QF 0.93
 17 ASP  HB2    18 ASP  H       3.71            #peak 409 #SUP 0.98 #QF 0.98
 18 ASP  H      18 ASP  HB3     3.93            #peak 410 #SUP 1.00
 14 ARG  QG     18 ASP  H       5.50            #peak 411 #SUP 0.98 #QF 0.24
 15 LYS  HB3    18 ASP  H       5.50            #peak 411 #SUP 0.98 #QF 0.24
 14 ARG  QB     17 ASP  H       5.50            #peak 413 #SUP 0.68 #QF 0.68
 16 CYSS HB3    17 ASP  H       2.89            #peak 414 #SUP 0.76 #QF 0.76
 15 LYS  HA     17 ASP  H       4.83            #peak 415 #SUP 0.97 #QF 0.97
 12 MET  HG3    16 CYSS H       4.87            #peak 420 #SUP 0.75 #QF 0.75
 15 LYS  HE2    16 CYSS H       4.62            #peak 421 #SUP 0.87 #QF 0.87
 15 LYS  H      16 CYSS H       3.94            #peak 427 #SUP 0.99 #QF 0.99
 12 MET  HA     15 LYS  H       4.07            #peak 429 #SUP 1.00 #QF 0.61
 15 LYS  H      15 LYS  HE3     4.57            #peak 431 #SUP 1.00
 15 LYS  H      16 CYSS HB3     4.84            #peak 432 #SUP 0.87 #QF 0.87
 14 ARG  QG     15 LYS  H       4.24            #peak 436 #SUP 1.00 #QF 0.24
 14 ARG  QB     15 LYS  H       2.95            #peak 438 #SUP 0.74 #QF 0.74
 12 MET  HB3    13 ALA  H       3.51            #peak 441 #SUP 0.61 #QF 0.61
 27 LYS  HD3    29 TYR  QE      3.63            #peak 2 #SUP 0.94 #QF 0.94
  6 PHE  HA      6 PHE  QD      4.59            #peak 15 #SUP 0.99 #QF 0.99
 29 TYR  HA     29 TYR  QD      4.00            #peak 17 #SUP 1.00
 29 TYR  QD     34 LEU  HB2     3.55            #peak 19 #SUP 1.00
 29 TYR  QD     34 LEU  QD1     3.67            #peak 20 #SUP 1.00
 29 TYR  QD     34 LEU  HB3     3.71            #peak 21 #SUP 0.99 #QF 0.99
 29 TYR  QE     34 LEU  HB2     3.88            #peak 25 #SUP 1.00
 29 TYR  QD     34 LEU  QD2     4.50            #peak 35 #SUP 1.00
 29 TYR  QD     34 LEU  HA      5.03            #peak 37 #SUP 1.00
 28 CYSS HA     29 TYR  QD      4.75            #peak 38 #SUP 1.00
 29 TYR  QD     34 LEU  HG      3.56            #peak 40 #SUP 1.00
 27 LYS  HD2    29 TYR  QE      3.63            #peak 42 #SUP 0.96 #QF 0.96
 27 LYS  QB     29 TYR  QD      3.63            #peak 44 #SUP 0.98 #QF 0.98
 27 LYS  QB     29 TYR  QE      3.23            #peak 45 #SUP 0.98 #QF 0.98
 15 LYS  HA     18 ASP  HB3     4.29            #peak 15 #SUP 1.00
 20 CYSS HB3    25 ARG  HB3     4.17            #peak 34 #SUP 1.00
 20 CYSS HB3    25 ARG  HB2     3.95            #peak 35 #SUP 1.00
 17 ASP  HA     20 CYSS HB3     4.55            #peak 38 #SUP 0.94 #QF 0.94
 20 CYSS HB3    35 CYSS HA      4.95            #peak 43 #SUP 1.00
  5 CYSS HB2    12 MET  HG3     5.09            #peak 59 #SUP 0.91 #QF 0.80
  5 CYSS HB2    12 MET  QE      5.39            #peak 59 #SUP 0.91 #QF 0.80
  5 CYSS HB2     6 PHE  HA      5.50            #peak 60 #SUP 0.97 #QF 0.34
  5 CYSS HB2    31 PRO  HA      5.50            #peak 60 #SUP 0.97 #QF 0.34
  5 CYSS HB2    33 CYSS H       5.02            #peak 62 #SUP 1.00 #QF 0.99
 29 TYR  HB2    34 LEU  QD1     3.86            #peak 102 #SUP 1.00
  3 MET  H      33 CYSS HB2     4.37            #peak 112 #SUP 0.89 #QF 0.89
 28 CYSS HA     29 TYR  HB2     4.91            #peak 113 #SUP 0.96 #QF 0.96
  6 PHE  HB3     8 THR  QG2     4.86            #peak 116 #SUP 0.81 #QF 0.37
 29 TYR  QE     34 LEU  HB3     5.23            #peak 132 #SUP 0.97 #QF 0.97
 32 GLN  HA     32 GLN  QG      3.56            #peak 137 #SUP 1.00
  6 PHE  HA      7 THR  HA      4.66            #peak 149 #SUP 0.93 #QF 0.93
 29 TYR  H      29 TYR  HB3     3.89            #peak 159 #SUP 1.00
 32 GLN  HB3    34 LEU  QD2     4.48            #peak 163 #SUP 0.99 #QF 0.99
  5 CYSS HB3    28 CYSS HB2     5.26            #peak 172 #SUP 0.72 #QF 0.72
 28 CYSS HB2    29 TYR  H       4.79            #peak 175 #SUP 1.00
 15 LYS  HG3    15 LYS  HE2     3.89            #peak 182 #SUP 1.00
  9 ASP  HA     12 MET  HB3     5.18            #peak 209 #SUP 0.90 #QF 0.90
 11 GLN  H      12 MET  HB3     5.10            #peak 211 #SUP 0.99 #QF 0.99
  4 PRO  HG2     6 PHE  QE      4.80            #peak 220 #SUP 0.56 #QF 0.56
 13 ALA  QB     16 CYSS HB2     5.04            #peak 221 #SUP 0.95 #QF 0.95
 12 MET  QE     16 CYSS HB2     4.94            #peak 222 #SUP 0.99 #QF 0.58
 13 ALA  HA     16 CYSS HB2     4.53            #peak 225 #SUP 1.00
 16 CYSS HB2    17 ASP  H       4.57            #peak 226 #SUP 1.00
 16 CYSS H      16 CYSS HB2     3.82            #peak 227 #SUP 1.00
 14 ARG  QB     14 ARG  HD2     4.04            #peak 229 #SUP 1.00
 17 ASP  HA     26 GLY  HA3     3.81            #peak 234 #SUP 0.76 #QF 0.76
 12 MET  QE     16 CYSS HA      4.99            #peak 243 #SUP 0.99 #QF 0.57
 34 LEU  HB2    34 LEU  QD2     4.23            #peak 250 #SUP 1.00
 17 ASP  HB2    23 LYS  HA      4.54            #peak 262 #SUP 0.98 #QF 0.98
 17 ASP  HB3    23 LYS  HA      3.89            #peak 263 #SUP 0.90 #QF 0.90
 23 LYS  HA     23 LYS  HG2     3.81            #peak 265 #SUP 1.00
 23 LYS  HA     24 GLY  H       3.11            #peak 268 #SUP 0.97 #QF 0.97
  3 MET  HB2    19 CYSS HB2     4.67            #peak 271 #SUP 1.00
 19 CYSS HB2    20 CYSS HA      5.50            #peak 272 #SUP 1.00
 17 ASP  HB3    25 ARG  HB2     4.73            #peak 277 #SUP 0.69 #QF 0.69
 22 GLY  HA2    25 ARG  HG3     5.09            #peak 287 #SUP 1.00
 12 MET  HA     15 LYS  HB2     3.94            #peak 300 #SUP 0.95 #QF 0.95
  5 CYSS HB3     6 PHE  HA      4.82            #peak 306 #SUP 0.94 #QF 0.71
  5 CYSS HB3    31 PRO  HA      5.10            #peak 306 #SUP 0.94 #QF 0.71
 13 ALA  HA     16 CYSS HB3     4.07            #peak 311 #SUP 0.99 #QF 0.99
 25 ARG  HB3    25 ARG  QD      3.74            #peak 314 #SUP 1.00
 23 LYS  HB3    23 LYS  QE      4.16            #peak 317 #SUP 0.78 #QF 0.30
 24 GLY  QA     25 ARG  HG3     4.63            #peak 332 #SUP 0.95 #QF 0.95
  5 CYSS HB2    32 GLN  HA      4.45            #peak 371 #SUP 0.81 #QF 0.81
  3 MET  HG2    33 CYSS HB3     3.76            #peak 375 #SUP 0.98 #QF 0.98
  3 MET  H      33 CYSS HB3     3.74            #peak 380 #SUP 0.94 #QF 0.94
 15 LYS  HA     18 ASP  HB2     3.70            #peak 382 #SUP 0.99 #QF 0.99
 15 LYS  HA     15 LYS  HG2     3.57            #peak 385 #SUP 0.62 #QF 0.62
 15 LYS  HA     15 LYS  HG3     3.57            #peak 386 #SUP 0.99 #QF 0.99
  5 CYSS HA     12 MET  HG3     4.34            #peak 394 #SUP 1.00 #QF 0.80
 32 GLN  QG     34 LEU  QD2     4.49            #peak 402 #SUP 0.81 #QF 0.81
  1 MET  QB     34 LEU  QD2     3.30            #peak 405 #SUP 0.94 #QF 0.94
 34 LEU  HB3    34 LEU  QD2     3.56            #peak 408 #SUP 1.00
 34 LEU  HA     34 LEU  QD2     3.16            #peak 413 #SUP 0.97 #QF 0.97
 25 ARG  HA     25 ARG  HG3     4.06            #peak 418 #SUP 1.00
 30 GLY  HA2    31 PRO  HD2     3.78            #peak 435 #SUP 0.99 #QF 0.99
 27 LYS  HA     27 LYS  HD3     4.81            #peak 441 #SUP 0.98 #QF 0.98
 20 CYSS HB3    26 GLY  HA2     4.79            #peak 448 #SUP 1.00
 25 ARG  HA     26 GLY  HA2     5.06            #peak 450 #SUP 0.99 #QF 0.24
 26 GLY  HA2    36 ARG  HA      5.20            #peak 450 #SUP 0.99 #QF 0.24
 26 GLY  HA2    36 ARG  QD      5.50            #peak 451 #SUP 1.00
 26 GLY  HA2    35 CYSS HA      3.36            #peak 454 #SUP 1.00
 17 ASP  HA     20 CYSS HB2     4.55            #peak 484 #SUP 0.98 #QF 0.98
 20 CYSS HB2    35 CYSS HA      4.95            #peak 487 #SUP 1.00
 20 CYSS HB2    26 GLY  HA2     4.79            #peak 488 #SUP 1.00
  5 CYSS HB3    28 CYSS HB3     5.26            #peak 493 #SUP 0.89 #QF 0.89
 27 LYS  HA     28 CYSS HB3     4.88            #peak 494 #SUP 1.00
 28 CYSS HB3    29 TYR  H       4.79            #peak 495 #SUP 1.00
 25 ARG  HB2    25 ARG  QD      3.92            #peak 519 #SUP 1.00
 32 GLN  HB2    34 LEU  QD2     3.94            #peak 525 #SUP 0.97 #QF 0.97
  8 THR  HA      8 THR  QG2     3.26            #peak 529 #SUP 1.00
 15 LYS  HG2    15 LYS  HE2     3.89            #peak 543 #SUP 1.00
 15 LYS  H      15 LYS  HG2     4.01            #peak 545 #SUP 1.00
 29 TYR  HB3    34 LEU  QD1     3.69            #peak 556 #SUP 0.63 #QF 0.63
 32 GLN  HB3    34 LEU  QD1     5.41            #peak 557 #SUP 1.00
 34 LEU  HB2    34 LEU  QD1     3.21            #peak 558 #SUP 0.90 #QF 0.90
 34 LEU  HB3    34 LEU  QD1     3.34            #peak 560 #SUP 0.97 #QF 0.97
 29 TYR  QE     34 LEU  QD1     4.23            #peak 565 #SUP 0.97 #QF 0.97
 34 LEU  HA     34 LEU  QD1     4.62            #peak 566 #SUP 1.00
  8 THR  H       8 THR  QG2     3.89            #peak 603 #SUP 0.96 #QF 0.96
 14 ARG  HA     14 ARG  HD3     4.36            #peak 615 #SUP 0.99 #QF 0.99
 13 ALA  QB     14 ARG  HA      4.57            #peak 632 #SUP 0.62 #QF 0.62
 12 MET  HB3    13 ALA  QB      4.40            #peak 637 #SUP 0.58 #QF 0.58
 12 MET  HA     15 LYS  HB3     5.38            #peak 643 #SUP 1.00
 15 LYS  HB3    15 LYS  HE3     4.74            #peak 645 #SUP 1.00
 12 MET  QE     15 LYS  HB3     4.29            #peak 646 #SUP 0.87 #QF 0.87
 15 LYS  HB3    16 CYSS H       4.85            #peak 648 #SUP 1.00
 15 LYS  H      15 LYS  HB3     3.96            #peak 649 #SUP 1.00
 20 CYSS HB2    25 ARG  HB3     4.17            #peak 652 #SUP 0.99 #QF 0.99
 25 ARG  HA     25 ARG  QD      3.80            #peak 662 #SUP 1.00
 25 ARG  HA     25 ARG  HG2     3.56            #peak 666 #SUP 0.99 #QF 0.99
  2 CYSS HB3    19 CYSS HB3     4.45            #peak 672 #SUP 0.93 #QF 0.93
  3 MET  HB2    19 CYSS HB3     5.13            #peak 673 #SUP 1.00
  3 MET  HG3    19 CYSS HB3     5.50            #peak 676 #SUP 1.00
 19 CYSS HB3    20 CYSS HA      4.29            #peak 677 #SUP 0.97 #QF 0.97
 27 LYS  HA     27 LYS  HD2     4.81            #peak 688 #SUP 0.98 #QF 0.98
 27 LYS  QB     27 LYS  QE      4.56            #peak 698 #SUP 1.00
 23 LYS  HA     23 LYS  HG3     3.81            #peak 705 #SUP 1.00
 36 ARG  HA     36 ARG  HG2     4.05            #peak 715 #SUP 0.58 #QF 0.58
 13 ALA  QB     16 CYSS HB3     5.03            #peak 724 #SUP 1.00
 15 LYS  HB2    15 LYS  QD      3.61            #peak 728 #SUP 1.00
 15 LYS  HB3    15 LYS  QD      3.34            #peak 729 #SUP 0.99 #QF 0.96
 14 ARG  QB     14 ARG  QG      2.77            #peak 732 #SUP 1.00
 12 MET  HA     15 LYS  HE2     3.67            #peak 738 #SUP 1.00 #QF 0.53
 12 MET  HA     15 LYS  HE3     3.61            #peak 743 #SUP 0.56 #QF 0.56
 12 MET  HA     12 MET  HG3     4.18            #peak 744 #SUP 0.98 #QF 0.98
  5 CYSS HA     12 MET  HG2     5.01            #peak 745 #SUP 0.98 #QF 0.98
  9 ASP  H       9 ASP  HB3     4.00            #peak 767 #SUP 1.00
  9 ASP  H       9 ASP  HB2     4.00            #peak 768 #SUP 0.95 #QF 0.95
  4 PRO  HG3     6 PHE  QE      4.80            #peak 778 #SUP 0.98 #QF 0.98
  3 MET  HA      4 PRO  HD3     3.12            #peak 780 #SUP 1.00
  3 MET  HA      4 PRO  HD2     3.76            #peak 781 #SUP 0.99 #QF 0.99
  3 MET  HB2     4 PRO  HD3     3.44            #peak 784 #SUP 0.90 #QF 0.90
  1 MET  QE      4 PRO  HD3     3.88            #peak 785 #SUP 0.92 #QF 0.33
  3 MET  HB2     4 PRO  HD2     3.22            #peak 788 #SUP 0.85 #QF 0.85
  2 CYSS HB3     3 MET  H       3.99            #peak 794 #SUP 0.98 #QF 0.98
  1 MET  HA     34 LEU  QD2     3.53            #peak 816 #SUP 0.98 #QF 0.98
  1 MET  QB     33 CYSS H       4.73            #peak 822 #SUP 0.97 #QF 0.97
 36 ARG  HB3    36 ARG  QD      3.76            #peak 854 #SUP 1.00
  3 MET  H       3 MET  HG3     4.90            #peak 861 #SUP 0.99 #QF 0.99
  3 MET  H       3 MET  HG2     4.75            #peak 862 #SUP 1.00
  3 MET  HG2     4 PRO  HD2     4.76            #peak 866 #SUP 1.00
  3 MET  HG3    33 CYSS HB3     4.33            #peak 867 #SUP 0.96 #QF 0.96
  3 MET  HB2     3 MET  HG3     2.78            #peak 871 #SUP 0.94 #QF 0.94
  5 CYSS HA     12 MET  QE      3.65            #peak 881 #SUP 0.82 #QF 0.82
 12 MET  HA     12 MET  QE      3.86            #peak 882 #SUP 0.87 #QF 0.87
 12 MET  QE     15 LYS  HE3     3.58            #peak 883 #SUP 0.99 #QF 0.95
  3 MET  HG3    12 MET  QE      3.48            #peak 884 #SUP 0.42 #QF 0.42
 12 MET  QE     15 LYS  HB2     3.55            #peak 887 #SUP 0.97 #QF 0.97
  3 MET  HA      3 MET  QE      4.65            #peak 900 #SUP 1.00
  3 MET  QE     19 CYSS HB3     4.94            #peak 901 #SUP 0.99 #QF 0.99
  3 MET  QE     15 LYS  HE3     4.54            #peak 903 #SUP 0.89 #QF 0.89
  3 MET  HG3     3 MET  QE      3.43            #peak 904 #SUP 1.00
  3 MET  HB2     3 MET  QE      2.85            #peak 905 #SUP 0.94 #QF 0.94
  3 MET  QE     15 LYS  QD      3.28            #peak 908 #SUP 0.64 #QF 0.64
  3 MET  QE     15 LYS  HB2     3.80            #peak 911 #SUP 0.78 #QF 0.78
  3 MET  QE     15 LYS  HB3     4.92            #peak 912 #SUP 0.93 #QF 0.93
 12 MET  HG3    16 CYSS HB3     4.41            #peak 930 #SUP 0.99 #QF 0.99
 29 TYR  HB3    34 LEU  QD2     5.04            #peak 939 #SUP 1.00
 29 TYR  HB3    34 LEU  HG      4.27            #peak 941 #SUP 1.00
 29 TYR  HB2    34 LEU  HG      4.50            #peak 942 #SUP 1.00
  3 MET  HG3    33 CYSS HB2     4.16            #peak 948 #SUP 1.00
  3 MET  HG2    33 CYSS HB2     4.04            #peak 949 #SUP 0.99 #QF 0.99
  7 THR  HA      7 THR  QG2     3.40            #peak 956 #SUP 1.00
  6 PHE  HA      7 THR  QG2     4.82            #peak 958 #SUP 0.72 #QF 0.72
  1 MET  HA      1 MET  QB      2.87            #peak 967 #SUP 1.00
  1 MET  HA     34 LEU  HA      4.29            #peak 970 #SUP 0.96 #QF 0.96
  1 MET  QB     32 GLN  QG      3.77            #peak 972 #SUP 0.97 #QF 0.97
  3 MET  HB3     3 MET  QE      3.05            #peak 974 #SUP 0.90 #QF 0.90
  1 MET  QB     32 GLN  HB2     3.88            #peak 975 #SUP 0.78 #QF 0.78
 14 ARG  HA     14 ARG  QG      3.52            #peak 985 #SUP 1.00
 14 ARG  HA     17 ASP  HB2     3.82            #peak 988 #SUP 0.29 #QF 0.29
 36 ARG  HB2    36 ARG  QD      3.76            #peak 992 #SUP 1.00
 14 ARG  QB     14 ARG  HD3     4.04            #peak 1004 #SUP 1.00
 36 ARG  HA     36 ARG  QD      5.02            #peak 1005 #SUP 1.00
 30 GLY  HA3    31 PRO  HD2     3.78            #peak 1006 #SUP 0.99 #QF 0.99
 30 GLY  HA3    31 PRO  HD3     3.60            #peak 1007 #SUP 0.76 #QF 0.76
 30 GLY  HA2    31 PRO  HD3     3.60            #peak 1008 #SUP 0.97 #QF 0.97
  1 MET  QE      4 PRO  HD2     5.33            #peak 1021 #SUP 0.96 #QF 0.96
  1 MET  QE     32 GLN  QG      3.72            #peak 1025 #SUP 0.81 #QF 0.81
 12 MET  HB2    15 LYS  HE3     4.04            #peak 1030 #SUP 0.50 #QF 0.50
 12 MET  HG2    12 MET  QE      3.70            #peak 1032 #SUP 0.99 #QF 0.99
 12 MET  QE     15 LYS  HE2     3.68            #peak 1033 #SUP 0.63 #QF 0.63
  3 MET  QE     12 MET  QE      3.66            #peak 1036 #SUP 0.77 #QF 0.77
  6 PHE  QD      8 THR  QG2     4.71            #peak 1044 #SUP 0.65 #QF 0.65
  8 THR  HB      9 ASP  H       4.98            #peak 1045 #SUP 1.00
  7 THR  QG2     9 ASP  H       5.19            #peak 1051 #SUP 0.95 #QF 0.95
  7 THR  HA      9 ASP  H       4.84            #peak 1052 #SUP 0.82 #QF 0.82
  7 THR  HB      9 ASP  H       5.50            #peak 1053 #SUP 0.97 #QF 0.97
  7 THR  H       7 THR  QG2     4.47            #peak 1055 #SUP 1.00
  5 CYSS HA     16 CYSS HB2     4.33            #peak 1056 #SUP 0.94 #QF 0.37
  5 CYSS HA     33 CYSS HB2     4.68            #peak 1056 #SUP 0.94 #QF 0.37
  5 CYSS HB3    33 CYSS HB2     3.88            #peak 1057 #SUP 0.76 #QF 0.76
  5 CYSS HB2    33 CYSS HA      4.36            #peak 1060 #SUP 0.92 #QF 0.92
  4 PRO  HD2     6 PHE  QE      5.50            #peak 1062 #SUP 0.97 #QF 0.97
  4 PRO  HD2     5 CYSS H       5.50            #peak 1063 #SUP 0.87 #QF 0.87
  3 MET  HG3     4 PRO  HD2     4.48            #peak 1064 #SUP 0.60 #QF 0.60
  3 MET  HG3     4 PRO  HD3     4.67            #peak 1065 #SUP 0.60 #QF 0.60
  3 MET  QE      4 PRO  HD2     3.54            #peak 1067 #SUP 1.00
  3 MET  QE      4 PRO  HD3     4.44            #peak 1073 #SUP 1.00
  3 MET  HB3    19 CYSS HB3     4.28            #peak 1074 #SUP 0.96 #QF 0.96
  2 CYSS HB3     3 MET  HB2     5.25            #peak 1076 #SUP 0.98 #QF 0.98
  2 CYSS HB3     3 MET  HG2     4.48            #peak 1077 #SUP 0.86 #QF 0.86
  1 MET  QE      4 PRO  HA      4.49            #peak 1080 #SUP 0.90 #QF 0.81
  1 MET  QE     32 GLN  HA      5.14            #peak 1080 #SUP 0.90 #QF 0.81
  1 MET  QB     32 GLN  HA      4.30            #peak 1081 #SUP 0.96 #QF 0.96
  3 MET  HB3     4 PRO  HD2     3.64            #peak 1084 #SUP 0.60 #QF 0.60
 12 MET  HA     15 LYS  QD      4.34            #peak 1090 #SUP 1.00 #QF 0.32
 36 ARG  HA     36 ARG  HG3     4.05            #peak 1091 #SUP 1.00
 26 GLY  HA3    35 CYSS HA      3.38            #peak 1098 #SUP 0.98 #QF 0.98
 32 GLN  HB3    33 CYSS HB3     5.14            #peak 1111 #SUP 0.83 #QF 0.83
 31 PRO  HD2    32 GLN  QG      4.18            #peak 1138 #SUP 1.00
 31 PRO  HD2    32 GLN  HB2     4.62            #peak 1142 #SUP 0.99 #QF 0.99
 31 PRO  HD3    32 GLN  QG      5.36            #peak 1151 #SUP 1.00
 31 PRO  HD3    32 GLN  H       4.90            #peak 1152 #SUP 1.00
 27 LYS  HA     28 CYSS HB2     4.88            #peak 1163 #SUP 0.99 #QF 0.99
 26 GLY  HA2    35 CYSS H       5.16            #peak 1166 #SUP 1.00
 23 LYS  HG3    23 LYS  QE      4.06            #peak 1172 #SUP 0.80 #QF 0.80
 23 LYS  HB2    23 LYS  QE      4.16            #peak 1174 #SUP 0.94 #QF 0.30
 20 CYSS HB2    25 ARG  HB2     3.95            #peak 1179 #SUP 0.78 #QF 0.78
 21 GLY  H      25 ARG  HB2     4.00            #peak 1181 #SUP 0.96 #QF 0.96
 21 GLY  H      25 ARG  HG3     5.33            #peak 1183 #SUP 1.00
 21 GLY  H      25 ARG  QD      5.49            #peak 1185 #SUP 1.00
 23 LYS  HG3    24 GLY  QA      4.97            #peak 1191 #SUP 1.00
 23 LYS  HG2    24 GLY  QA      4.97            #peak 1192 #SUP 1.00
 23 LYS  HG2    23 LYS  QE      4.06            #peak 1193 #SUP 1.00
 22 GLY  HA3    25 ARG  HG3     5.09            #peak 1194 #SUP 1.00
 20 CYSS HB2    26 GLY  HA3     4.06            #peak 1200 #SUP 0.99 #QF 0.99
 20 CYSS HB3    26 GLY  HA3     4.06            #peak 1201 #SUP 1.00
 20 CYSS HB2    21 GLY  H       5.11            #peak 1202 #SUP 1.00
 20 CYSS HB3    22 GLY  H       5.33            #peak 1204 #SUP 1.00
 20 CYSS HB2    22 GLY  H       5.33            #peak 1205 #SUP 1.00
  3 MET  HG2    19 CYSS HB3     4.85            #peak 1206 #SUP 1.00
 18 ASP  HB3    19 CYSS HB3     5.26            #peak 1207 #SUP 0.98 #QF 0.98
  3 MET  HG2    19 CYSS HB2     4.93            #peak 1208 #SUP 1.00
  3 MET  QE     19 CYSS HB2     5.22            #peak 1209 #SUP 1.00
 16 CYSS HA     19 CYSS HB3     4.12            #peak 1211 #SUP 0.84 #QF 0.84
 16 CYSS HA     19 CYSS HB2     4.58            #peak 1212 #SUP 0.96 #QF 0.96
 18 ASP  HB3    19 CYSS HA      4.23            #peak 1215 #SUP 0.95 #QF 0.95
 18 ASP  HA     23 LYS  H       5.20            #peak 1219 #SUP 1.00
 17 ASP  HB3    24 GLY  QA      4.67            #peak 1220 #SUP 0.95 #QF 0.75
 12 MET  HG3    16 CYSS HB2     4.35            #peak 1223 #SUP 0.82 #QF 0.82
 12 MET  QE     16 CYSS HB3     4.59            #peak 1224 #SUP 0.60 #QF 0.60
 15 LYS  HG3    15 LYS  HE3     4.15            #peak 1229 #SUP 1.00
 11 GLN  HB2    15 LYS  HE2     4.35            #peak 1230 #SUP 0.93 #QF 0.93
 15 LYS  HB2    15 LYS  HE3     4.35            #peak 1235 #SUP 1.00
 15 LYS  HB2    15 LYS  HE2     4.27            #peak 1236 #SUP 1.00
 15 LYS  HA     15 LYS  HE3     5.46            #peak 1247 #SUP 1.00
 15 LYS  HB3    15 LYS  HE2     4.77            #peak 1249 #SUP 1.00
 15 LYS  HG2    15 LYS  HE3     4.15            #peak 1250 #SUP 1.00
 15 LYS  HA     15 LYS  QD      4.51            #peak 1253 #SUP 0.98 #QF 0.98
 14 ARG  HA     14 ARG  HD2     4.36            #peak 1262 #SUP 1.00
 13 ALA  QB     14 ARG  QB      4.49            #peak 1265 #SUP 1.00
  1 MET  HA      1 MET  QG      3.48            #peak 1015
  1 MET  QG      1 MET  QE      3.28            #peak 1024
  1 MET  QG     32 GLN  QE2     4.64            #peak 878
  1 MET  QE     32 GLN  QE2     4.58            #peak 1018
  3 MET  HG3     4 PRO  QB      5.04            #peak 8
  4 PRO  QB      6 PHE  QE      4.18            #peak 6
  4 PRO  QG      5 CYSS H       5.03            #peak 337
  4 PRO  QG      6 PHE  QE      3.97            #peak 778
  4 PRO  QG      6 PHE  HZ      5.08            #peak 8
  5 CYSS HB3    28 CYSS QB      4.49            #peak 172
  6 PHE  HB3     9 ASP  QB      4.55            #peak 115
  9 ASP  H       9 ASP  QB      3.43            #peak 768
  9 ASP  QB     12 MET  H       4.50            #peak 252
  9 ASP  QB     12 MET  HB2     4.04            #peak 414
  9 ASP  QB     12 MET  HG2     3.91            #peak 1029
 10 HIS  QB     11 GLN  H       4.36            #peak 12
 10 HIS  QB     11 GLN  QG      5.18            #peak 764
 11 GLN  H      11 GLN  QG      3.81            #peak 319
 11 GLN  QG     12 MET  H       4.60            #peak 761
 11 GLN  QG     12 MET  HA      4.45            #peak 750
 11 GLN  QG     12 MET  HB2     3.67            #peak 754
 11 GLN  QG     13 ALA  H       5.09            #peak 759
 13 ALA  QB     28 CYSS QB      4.43            #peak 634
 14 ARG  QB     14 ARG  QD      3.44            #peak 1004
 14 ARG  QD     15 LYS  H       5.10            #peak 430
 15 LYS  H      15 LYS  QG      3.52            #peak 545
 15 LYS  QG     15 LYS  HE2     3.37            #peak 182
 15 LYS  QG     15 LYS  HE3     3.48            #peak 1229
 17 ASP  HA     20 CYSS QB      3.76            #peak 38
 18 ASP  H      20 CYSS QB      5.34            #peak 44
 18 ASP  HA     22 GLY  QA      4.08            #peak 381
 19 CYSS H      20 CYSS QB      5.19            #peak 400
 19 CYSS HB3    20 CYSS QB      5.34            #peak 676
 20 CYSS H      20 CYSS QB      2.91            #peak 160
 20 CYSS QB     21 GLY  H       4.38            #peak 171
 20 CYSS QB     22 GLY  H       4.64            #peak 1204
 20 CYSS QB     25 ARG  HA      5.34            #peak 1180
 20 CYSS QB     26 GLY  H       4.70            #peak 274
 20 CYSS QB     26 GLY  HA3     3.41            #peak 1200
 20 CYSS QB     35 CYSS H       5.34            #peak 212
 20 CYSS QB     35 CYSS HA      4.09            #peak 487
 20 CYSS QB     35 CYSS QB      3.27            #peak 482
 20 CYSS QB     36 ARG  H       5.32            #peak 485
 21 GLY  QA     25 ARG  QD      4.52            #peak 283
 22 GLY  QA     23 LYS  QB      4.67            #peak 609
 22 GLY  QA     25 ARG  HB2     4.39            #peak 286
 22 GLY  QA     25 ARG  HG3     4.25            #peak 287
 22 GLY  QA     25 ARG  QD      4.37            #peak 1188
 23 LYS  H      23 LYS  QG      4.11            #peak 385
 23 LYS  QB     23 LYS  QE      3.63            #peak 317
 23 LYS  QB     24 GLY  H       4.44            #peak 206
 23 LYS  QB     24 GLY  QA      4.72            #peak 331
 23 LYS  QG     23 LYS  QE      3.19            #peak 1172
 23 LYS  QG     24 GLY  QA      4.26            #peak 1191
 26 GLY  HA2    36 ARG  QG      4.82            #peak 449
 27 LYS  HA     27 LYS  QG      3.68            #peak 442
 27 LYS  HA     27 LYS  QD      4.15            #peak 688
 27 LYS  HA     28 CYSS QB      4.29            #peak 1163
 27 LYS  QG     28 CYSS H       3.66            #peak 80
 27 LYS  QG     29 TYR  QE      4.30            #peak 27
 27 LYS  QD     28 CYSS H       4.83            #peak 370
 27 LYS  QD     29 TYR  QD      4.22            #peak 43
 27 LYS  QD     29 TYR  QE      3.10            #peak 42
 28 CYSS H      28 CYSS QB      2.72            #peak 78
 28 CYSS QB     29 TYR  H       4.22            #peak 175
 29 TYR  HA     30 GLY  QA      4.56            #peak 433
 30 GLY  QA     31 PRO  QG      4.12            #peak 1010
 30 GLY  QA     31 PRO  HD2     2.93            #peak 1006
 30 GLY  QA     31 PRO  HD3     2.89            #peak 1007
 30 GLY  QA     32 GLN  H       4.57            #peak 18
 31 PRO  QB     32 GLN  H       3.73            #peak 360
 31 PRO  QG     32 GLN  H       3.87            #peak 361
 31 PRO  QG     32 GLN  QG      3.35            #peak 1125
 32 GLN  QE2    34 LEU  QD2     5.32            #peak 950
 35 CYSS H      35 CYSS QB      3.17            #peak 213
 35 CYSS QB     36 ARG  H       3.72            #peak 65
 36 ARG  H      36 ARG  QB      3.27            #peak 342
 36 ARG  HA     36 ARG  QG      3.44            #peak 1091
 36 ARG  QB     36 ARG  QG      2.35            #peak 1095
 36 ARG  QB     36 ARG  QD      3.27            #peak 992
# Restraints file 2: ssbond.upl
   2 CYSS SG     19 CYSS SG      2.05     5.0 
   2 CYSS SG     19 CYSS CB      3.07     5.0 
   2 CYSS CB     19 CYSS SG      3.07     5.0 
   5 CYSS SG     28 CYSS SG      2.05     5.0 
   5 CYSS SG     28 CYSS CB      3.07     5.0 
   5 CYSS CB     28 CYSS SG      3.07     5.0 
  16 CYSS SG     33 CYSS SG      2.05     5.0 
  16 CYSS SG     33 CYSS CB      3.07     5.0 
  16 CYSS CB     33 CYSS SG      3.07     5.0 
  20 CYSS SG     35 CYSS SG      2.05     5.0 
  20 CYSS SG     35 CYSS CB      3.07     5.0 
  20 CYSS CB     35 CYSS SG      3.07     5.0 
# Restraints file 3: ssbond.lol
   2 CYSS SG     19 CYSS SG      2.01    10.0 
   2 CYSS SG     19 CYSS CB      2.99     5.0 
   2 CYSS CB     19 CYSS SG      2.99     5.0 
   5 CYSS SG     28 CYSS SG      2.01    10.0 
   5 CYSS SG     28 CYSS CB      2.99     5.0 
   5 CYSS CB     28 CYSS SG      2.99     5.0 
  16 CYSS SG     33 CYSS SG      2.01    10.0 
  16 CYSS SG     33 CYSS CB      2.99     5.0 
  16 CYSS CB     33 CYSS SG      2.99     5.0
  20 CYSS SG     35 CYSS SG      2.01    10.0 
  20 CYSS SG     35 CYSS CB      2.99     5.0 
  20 CYSS CB     35 CYSS SG      2.99     5.0  
# Restraints file 4: cltx.aco
# REMARK  error margins are set to conservative default values of double the standard deviation 
#         observed in TALOS-N capped at a minimum of +/-20 degree.

# Phi/Psi Angles From 'Strong' Predictions 
   2   CYSS PHI     -83.8   -43.8
   2   CYSS PSI     -51.0   -11.0
#   4   PRO  PHI     -87.3   -47.3
   4   PRO  PSI     128.8   168.8
   5   CYSS PHI    -175.6   -96.6
   5   CYSS PSI     125.6   179.6
   6   PHE  PHI    -145.3   -61.2
   6   PHE  PSI      98.6   169.1
   7   THR  PHI     -85.8   -45.8
   7   THR  PSI     -37.5     2.5
   8   THR  PHI    -112.5   -72.5
   8   THR  PSI     -21.6    22.3
   9   ASP  PHI    -112.3   -45.3
   9   ASP  PSI     101.5   157.3
  10   HIS  PHI     -94.1   -47.8
  10   HIS  PSI     -52.0    10.3
  11   GLN  PHI    -121.4   -81.4
  11   GLN  PSI     -13.7    44.5
  12   MET  PHI     -82.0   -42.0
  12   MET  PSI     -63.5   -23.5
  13   ALA  PHI     -82.7   -42.7
  13   ALA  PSI     -60.6   -20.6
  14   ARG  PHI     -87.1   -47.1
  14   ARG  PSI     -59.1   -19.1
  15   LYS  PHI     -85.1   -45.1
  15   LYS  PSI     -62.2   -22.2
  16   CYSS PHI     -86.1   -46.1
  16   CYSS PSI     -57.4   -17.4
  17   ASP  PHI     -84.3   -44.3
  17   ASP  PSI     -61.5   -21.5
  18   ASP  PHI     -84.4   -44.4
  18   ASP  PSI     -61.0   -21.0
  19   CYSS PHI     -85.3   -45.3
  19   CYSS PSI     -51.8   -11.8
  20   CYSS PHI    -102.3   -62.3
  20   CYSS PSI     -26.0    14.0
  22   GLY  PHI    -150.6   -36.7
  22   GLY  PSI     148.1   205.6
  23   LYS  PHI     -82.0   -42.0
  23   LYS  PSI     116.0   156.0
  24   GLY  PHI      63.5   103.5
  24   GLY  PSI     -19.3    23.3
  25   ARG  PHI     -95.3   -55.3
  25   ARG  PSI     119.1   159.1
  27   LYS  PHI    -157.2  -102.8
  27   LYS  PSI     121.1   161.1
  28   CYSS PHI    -115.9   -68.4
  28   CYSS PSI     109.1   151.0
  29   TYR  PHI    -136.5   -77.4
  29   TYR  PSI      61.9   148.6
  32   GLN  PHI    -157.7  -107.2
  32   GLN  PSI     118.8   167.5
  33   CYSS PHI    -104.2   -51.5
  33   CYSS PSI     104.1   144.1
  34   LEU  PHI    -132.4   -92.4
  34   LEU  PSI     106.4   146.4
  35   CYSS PHI    -105.7   -65.7
  35   CYSS PSI      90.8   152.0

# Phi/Psi Angles From 'Generous' Predictions 
#   3   MET  PHI    -109.4   -47.2
#   3   MET  PSI     127.4   167.4
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1   1.808   0.000   0.855
    2    HA   MET   1           HA       MET   1   1.411  -0.221  -2.050
    3    HB2  MET   1           HB2      MET   1   3.306   1.337  -2.387
    4    HB3  MET   1           HB3      MET   1   1.930   2.101  -1.603
    5    HG2  MET   1           HG2      MET   1   3.523   2.906  -0.240
    6    HG3  MET   1           HG3      MET   1   3.305   1.353   0.564
    7    HE1  MET   1           HE1      MET   1   7.091   3.040  -0.299
    8    HE2  MET   1           HE2      MET   1   6.073   3.463  -1.676
    9    HE3  MET   1           HE3      MET   1   5.494   3.742  -0.032
   10    H    CYS   2           H        CYS   2   2.750  -1.606  -3.089
   11    HA   CYS   2           HA       CYS   2   4.372  -3.353  -1.469
   12    HB2  CYS   2           HB2      CYS   2   2.906  -4.118  -3.380
   13    HB3  CYS   2           HB3      CYS   2   4.071  -3.380  -4.475
   14    H    MET   3           H        MET   3   4.888  -0.843  -3.873
   15    HA   MET   3           HA       MET   3   7.593  -0.473  -2.996
   16    HB2  MET   3           HB2      MET   3   8.765  -1.066  -4.942
   17    HB3  MET   3           HB3      MET   3   7.659  -2.407  -4.675
   18    HG2  MET   3           HG2      MET   3   6.144  -1.509  -6.355
   19    HG3  MET   3           HG3      MET   3   7.229  -0.144  -6.610
   20    HE1  MET   3           HE1      MET   3  10.305  -1.577  -8.225
   21    HE2  MET   3           HE2      MET   3   9.714  -0.527  -6.936
   22    HE3  MET   3           HE3      MET   3  10.245  -2.168  -6.564
   23    HA   PRO   4           HA       PRO   4   6.778   3.629  -4.327
   24    HB2  PRO   4           HB2      PRO   4   9.283   4.514  -4.888
   25    HB3  PRO   4           HB3      PRO   4   8.708   4.240  -3.239
   26    HG2  PRO   4           HG2      PRO   4  10.398   2.479  -4.972
   27    HG3  PRO   4           HG3      PRO   4  10.579   2.860  -3.250
   28    HD2  PRO   4           HD2      PRO   4   9.473   0.548  -4.122
   29    HD3  PRO   4           HD3      PRO   4   8.968   1.339  -2.615
   30    H    CYS   5           H        CYS   5   5.964   4.376  -6.175
   31    HA   CYS   5           HA       CYS   5   7.086   3.404  -8.709
   32    HB2  CYS   5           HB2      CYS   5   4.513   3.335  -7.878
   33    HB3  CYS   5           HB3      CYS   5   4.523   4.886  -8.712
   34    H    PHE   6           H        PHE   6   6.833   5.010 -10.567
   35    HA   PHE   6           HA       PHE   6   7.216   7.787  -9.763
   36    HB2  PHE   6           HB2      PHE   6   9.284   6.128 -11.199
   37    HB3  PHE   6           HB3      PHE   6   9.264   7.886 -11.290
   38    HD1  PHE   6           HD1      PHE   6  10.109   9.210  -9.536
   39    HD2  PHE   6           HD2      PHE   6   9.606   5.019  -8.989
   40    HE1  PHE   6           HE1      PHE   6  11.384   9.334  -7.435
   41    HE2  PHE   6           HE2      PHE   6  10.879   5.137  -6.887
   42    HZ   PHE   6           HZ       PHE   6  11.770   7.296  -6.107
   43    H    THR   7           H        THR   7   5.739   8.808 -10.938
   44    HA   THR   7           HA       THR   7   4.573   7.866 -13.298
   45    HB   THR   7           HB       THR   7   3.618  10.094 -13.569
   46    HG1  THR   7           HG1      THR   7   5.456  10.840 -11.518
   47   HG21  THR   7          HG21      THR   7   2.802   8.511 -11.767
   48   HG22  THR   7          HG22      THR   7   2.399  10.212 -11.535
   49   HG23  THR   7          HG23      THR   7   3.720   9.486 -10.620
   50    H    THR   8           H        THR   8   7.355   9.948 -12.769
   51    HA   THR   8           HA       THR   8   7.653  10.730 -15.496
   52    HB   THR   8           HB       THR   8   8.626  12.122 -13.784
   53    HG1  THR   8           HG1      THR   8   9.766  12.056 -15.764
   54   HG21  THR   8          HG21      THR   8  10.715  11.214 -12.593
   55   HG22  THR   8          HG22      THR   8  10.103   9.618 -13.027
   56   HG23  THR   8          HG23      THR   8   9.139  10.685 -12.006
   57    H    ASP   9           H        ASP   9   8.544   7.945 -13.671
   58    HA   ASP   9           HA       ASP   9  10.542   7.082 -15.600
   59    HB2  ASP   9           HB2      ASP   9   9.449   5.692 -13.143
   60    HB3  ASP   9           HB3      ASP   9  10.797   5.123 -14.124
   61    H    HIS  10           H        HIS  10  10.216   5.655 -17.200
   62    HA   HIS  10           HA       HIS  10   7.488   4.704 -17.627
   63    HB2  HIS  10           HB2      HIS  10   9.870   4.603 -19.489
   64    HB3  HIS  10           HB3      HIS  10   8.201   4.236 -19.912
   65    HD1  HIS  10           HD1      HIS  10   7.385   6.902 -18.050
   66    HD2  HIS  10           HD2      HIS  10   9.694   6.654 -21.495
   67    HE1  HIS  10           HE1      HIS  10   7.317   9.199 -19.072
   68    H    GLN  11           H        GLN  11  10.753   3.501 -17.143
   69    HA   GLN  11           HA       GLN  11  10.001   0.750 -17.566
   70    HB2  GLN  11           HB2      GLN  11  12.329   0.281 -16.777
   71    HB3  GLN  11           HB3      GLN  11  12.239   1.367 -18.158
   72    HG2  GLN  11           HG2      GLN  11  12.885   3.205 -16.928
   73    HG3  GLN  11           HG3      GLN  11  12.379   2.489 -15.399
   74   HE21  GLN  11          HE21      GLN  11  14.796   3.662 -15.529
   75   HE22  GLN  11          HE22      GLN  11  16.052   2.477 -15.491
   76    H    MET  12           H        MET  12   9.841   2.954 -14.996
   77    HA   MET  12           HA       MET  12  10.272   1.262 -12.788
   78    HB2  MET  12           HB2      MET  12  10.210   3.695 -12.575
   79    HB3  MET  12           HB3      MET  12   8.511   3.708 -13.028
   80    HG2  MET  12           HG2      MET  12   8.503   3.931 -10.712
   81    HG3  MET  12           HG3      MET  12   8.124   2.233 -10.993
   82    HE1  MET  12           HE1      MET  12  10.432   0.527  -8.714
   83    HE2  MET  12           HE2      MET  12   8.806   1.209  -8.683
   84    HE3  MET  12           HE3      MET  12   9.360   0.315 -10.099
   85    H    ALA  13           H        ALA  13   7.374   2.008 -14.670
   86    HA   ALA  13           HA       ALA  13   5.430   0.809 -13.123
   87    HB1  ALA  13           HB1      ALA  13   5.125   0.279 -15.985
   88    HB2  ALA  13           HB2      ALA  13   4.085   1.176 -14.876
   89    HB3  ALA  13           HB3      ALA  13   5.493   1.960 -15.594
   90    H    ARG  14           H        ARG  14   7.779  -0.686 -15.269
   91    HA   ARG  14           HA       ARG  14   6.740  -3.228 -15.530
   92    HB2  ARG  14           HB2      ARG  14   8.924  -2.176 -16.476
   93    HB3  ARG  14           HB3      ARG  14   9.669  -2.822 -15.020
   94    HG2  ARG  14           HG2      ARG  14   9.478  -4.978 -15.707
   95    HG3  ARG  14           HG3      ARG  14   8.011  -4.668 -16.638
   96    HD2  ARG  14           HD2      ARG  14   9.502  -4.975 -18.342
   97    HD3  ARG  14           HD3      ARG  14   9.659  -3.234 -18.111
   98    HE   ARG  14           HE       ARG  14  11.808  -3.560 -17.397
   99   HH11  ARG  14          HH11      ARG  14  10.111  -6.600 -17.326
  100   HH12  ARG  14          HH12      ARG  14  11.528  -7.531 -16.972
  101   HH21  ARG  14          HH21      ARG  14  13.680  -4.776 -16.930
  102   HH22  ARG  14          HH22      ARG  14  13.558  -6.493 -16.746
  103    H    LYS  15           H        LYS  15   8.865  -2.021 -12.941
  104    HA   LYS  15           HA       LYS  15   8.813  -4.437 -11.449
  105    HB2  LYS  15           HB2      LYS  15   9.487  -1.614 -10.602
  106    HB3  LYS  15           HB3      LYS  15   9.766  -3.045  -9.619
  107    HG2  LYS  15           HG2      LYS  15  11.472  -3.809 -10.980
  108    HG3  LYS  15           HG3      LYS  15  10.931  -2.856 -12.364
  109    HD2  LYS  15           HD2      LYS  15  11.840  -1.464  -9.882
  110    HD3  LYS  15           HD3      LYS  15  13.039  -2.125 -10.996
  111    HE2  LYS  15           HE2      LYS  15  11.326  -0.826 -12.688
  112    HE3  LYS  15           HE3      LYS  15  11.301   0.214 -11.266
  113    HZ1  LYS  15           HZ1      LYS  15  13.103   1.072 -12.299
  114    HZ2  LYS  15           HZ2      LYS  15  13.487  -0.364 -13.105
  115    HZ3  LYS  15           HZ3      LYS  15  13.897  -0.174 -11.475
  116    H    CYS  16           H        CYS  16   6.961  -1.431 -11.287
  117    HA   CYS  16           HA       CYS  16   5.592  -1.777  -8.926
  118    HB2  CYS  16           HB2      CYS  16   5.276   0.263 -10.078
  119    HB3  CYS  16           HB3      CYS  16   4.748  -0.554 -11.546
  120    H    ASP  17           H        ASP  17   4.900  -3.201 -12.083
  121    HA   ASP  17           HA       ASP  17   2.486  -4.481 -11.228
  122    HB2  ASP  17           HB2      ASP  17   4.182  -5.192 -13.626
  123    HB3  ASP  17           HB3      ASP  17   2.467  -5.522 -13.391
  124    H    ASP  18           H        ASP  18   5.864  -5.416 -11.508
  125    HA   ASP  18           HA       ASP  18   5.538  -8.184 -11.115
  126    HB2  ASP  18           HB2      ASP  18   7.635  -6.797 -11.833
  127    HB3  ASP  18           HB3      ASP  18   7.949  -6.715 -10.102
  128    H    CYS  19           H        CYS  19   6.283  -5.585  -8.800
  129    HA   CYS  19           HA       CYS  19   6.465  -7.108  -6.494
  130    HB2  CYS  19           HB2      CYS  19   6.798  -4.537  -6.922
  131    HB3  CYS  19           HB3      CYS  19   5.118  -4.435  -6.404
  132    H    CYS  20           H        CYS  20   3.619  -5.949  -8.192
  133    HA   CYS  20           HA       CYS  20   1.749  -6.626  -6.155
  134    HB2  CYS  20           HB2      CYS  20   1.386  -6.177  -9.123
  135    HB3  CYS  20           HB3      CYS  20   0.061  -6.382  -7.983
  136    H    GLY  21           H        GLY  21   3.304  -8.387  -8.714
  137    HA2  GLY  21           HA2      GLY  21   2.857 -10.906  -7.748
  138    HA3  GLY  21           HA3      GLY  21   1.445 -10.575  -8.740
  139    H    GLY  22           H        GLY  22   1.944  -9.790 -11.002
  140    HA2  GLY  22           HA2      GLY  22   4.497 -10.729 -12.054
  141    HA3  GLY  22           HA3      GLY  22   3.065 -11.592 -12.595
  142    H    LYS  23           H        LYS  23   4.524 -10.489 -14.517
  143    HA   LYS  23           HA       LYS  23   4.170  -7.840 -15.208
  144    HB2  LYS  23           HB2      LYS  23   5.580  -9.520 -16.420
  145    HB3  LYS  23           HB3      LYS  23   4.110 -10.165 -17.138
  146    HG2  LYS  23           HG2      LYS  23   3.678  -7.992 -18.186
  147    HG3  LYS  23           HG3      LYS  23   5.173  -7.368 -17.485
  148    HD2  LYS  23           HD2      LYS  23   6.504  -8.580 -18.903
  149    HD3  LYS  23           HD3      LYS  23   5.306  -9.860 -19.108
  150    HE2  LYS  23           HE2      LYS  23   5.279  -8.799 -21.169
  151    HE3  LYS  23           HE3      LYS  23   3.926  -8.045 -20.327
  152    HZ1  LYS  23           HZ1      LYS  23   6.207  -6.562 -19.738
  153    HZ2  LYS  23           HZ2      LYS  23   4.877  -6.093 -20.672
  154    HZ3  LYS  23           HZ3      LYS  23   6.212  -6.822 -21.410
  155    H    GLY  24           H        GLY  24   2.401  -6.657 -15.476
  156    HA2  GLY  24           HA2      GLY  24   0.405  -6.178 -16.721
  157    HA3  GLY  24           HA3      GLY  24   0.058  -7.901 -16.752
  158    H    ARG  25           H        ARG  25   0.876  -7.937 -13.801
  159    HA   ARG  25           HA       ARG  25  -1.791  -7.298 -12.807
  160    HB2  ARG  25           HB2      ARG  25   0.401  -8.620 -11.227
  161    HB3  ARG  25           HB3      ARG  25  -1.338  -8.734 -10.995
  162    HG2  ARG  25           HG2      ARG  25  -1.167  -9.768 -13.454
  163    HG3  ARG  25           HG3      ARG  25   0.432 -10.201 -12.845
  164    HD2  ARG  25           HD2      ARG  25  -0.688 -11.187 -10.840
  165    HD3  ARG  25           HD3      ARG  25  -2.237 -10.898 -11.632
  166    HE   ARG  25           HE       ARG  25  -0.327 -12.966 -12.245
  167   HH11  ARG  25          HH11      ARG  25  -3.005 -11.076 -13.419
  168   HH12  ARG  25          HH12      ARG  25  -3.473 -12.241 -14.613
  169   HH21  ARG  25          HH21      ARG  25  -0.934 -14.508 -13.813
  170   HH22  ARG  25          HH22      ARG  25  -2.295 -14.193 -14.836
  171    H    GLY  26           H        GLY  26  -2.180  -5.440 -11.810
  172    HA2  GLY  26           HA2      GLY  26  -1.636  -4.058  -9.851
  173    HA3  GLY  26           HA3      GLY  26   0.045  -4.149 -10.355
  174    H    LYS  27           H        LYS  27  -0.616  -1.709  -9.942
  175    HA   LYS  27           HA       LYS  27  -0.672  -0.507 -12.562
  176    HB2  LYS  27           HB2      LYS  27  -3.117  -0.820 -11.396
  177    HB3  LYS  27           HB3      LYS  27  -2.658   0.769 -10.797
  178    HG2  LYS  27           HG2      LYS  27  -2.822   1.737 -12.830
  179    HG3  LYS  27           HG3      LYS  27  -2.268   0.295 -13.684
  180    HD2  LYS  27           HD2      LYS  27  -4.951   0.360 -12.347
  181    HD3  LYS  27           HD3      LYS  27  -4.726   1.035 -13.963
  182    HE2  LYS  27           HE2      LYS  27  -3.650  -1.225 -14.535
  183    HE3  LYS  27           HE3      LYS  27  -4.390  -1.803 -13.044
  184    HZ1  LYS  27           HZ1      LYS  27  -5.748  -0.748 -15.455
  185    HZ2  LYS  27           HZ2      LYS  27  -6.543  -0.936 -13.974
  186    HZ3  LYS  27           HZ3      LYS  27  -5.898  -2.285 -14.764
  187    H    CYS  28           H        CYS  28   0.024   1.677 -12.563
  188    HA   CYS  28           HA       CYS  28   1.414   2.438 -10.088
  189    HB2  CYS  28           HB2      CYS  28   2.788   2.074 -12.144
  190    HB3  CYS  28           HB3      CYS  28   1.934   3.414 -12.903
  191    H    TYR  29           H        TYR  29   0.263   3.833  -8.921
  192    HA   TYR  29           HA       TYR  29  -0.976   6.112 -10.317
  193    HB2  TYR  29           HB2      TYR  29  -2.059   4.504  -8.004
  194    HB3  TYR  29           HB3      TYR  29  -2.681   6.094  -8.434
  195    HD1  TYR  29           HD1      TYR  29  -3.232   2.695  -8.805
  196    HD2  TYR  29           HD2      TYR  29  -3.226   6.293 -11.077
  197    HE1  TYR  29           HE1      TYR  29  -4.737   1.653 -10.448
  198    HE2  TYR  29           HE2      TYR  29  -4.732   5.262 -12.725
  199    HH   TYR  29           HH       TYR  29  -6.477   2.539 -12.171
  200    H    GLY  30           H        GLY  30   0.306   7.795  -9.883
  201    HA2  GLY  30           HA2      GLY  30   1.198   9.501  -8.603
  202    HA3  GLY  30           HA3      GLY  30   0.594   8.687  -7.167
  203    HA   PRO  31           HA       PRO  31   5.183   8.387  -7.015
  204    HB2  PRO  31           HB2      PRO  31   5.334   8.772  -4.332
  205    HB3  PRO  31           HB3      PRO  31   5.264  10.105  -5.491
  206    HG2  PRO  31           HG2      PRO  31   3.070   8.915  -3.838
  207    HG3  PRO  31           HG3      PRO  31   3.423  10.622  -4.168
  208    HD2  PRO  31           HD2      PRO  31   1.485   9.255  -5.476
  209    HD3  PRO  31           HD3      PRO  31   2.416  10.559  -6.241
  210    H    GLN  32           H        GLN  32   2.564   6.783  -5.405
  211    HA   GLN  32           HA       GLN  32   4.349   4.560  -4.673
  212    HB2  GLN  32           HB2      GLN  32   1.589   5.201  -3.617
  213    HB3  GLN  32           HB3      GLN  32   2.602   3.861  -3.098
  214    HG2  GLN  32           HG2      GLN  32   4.037   5.215  -1.929
  215    HG3  GLN  32           HG3      GLN  32   3.659   6.636  -2.900
  216   HE21  GLN  32          HE21      GLN  32   1.633   4.350  -1.100
  217   HE22  GLN  32          HE22      GLN  32   0.859   5.542  -0.119
  218    H    CYS  33           H        CYS  33   3.764   2.436  -5.202
  219    HA   CYS  33           HA       CYS  33   2.135   2.237  -7.602
  220    HB2  CYS  33           HB2      CYS  33   4.256   1.136  -7.726
  221    HB3  CYS  33           HB3      CYS  33   3.979   0.298  -6.203
  222    H    LEU  34           H        LEU  34   0.060   1.723  -7.511
  223    HA   LEU  34           HA       LEU  34  -0.937   0.261  -5.163
  224    HB2  LEU  34           HB2      LEU  34  -2.615   1.760  -7.152
  225    HB3  LEU  34           HB3      LEU  34  -3.049   1.243  -5.523
  226    HG   LEU  34           HG       LEU  34  -1.093   3.434  -6.221
  227   HD11  LEU  34          HD11      LEU  34  -3.623   3.777  -6.581
  228   HD12  LEU  34          HD12      LEU  34  -2.726   4.980  -5.655
  229   HD13  LEU  34          HD13      LEU  34  -3.714   3.782  -4.819
  230   HD21  LEU  34          HD21      LEU  34  -0.633   2.112  -4.120
  231   HD22  LEU  34          HD22      LEU  34  -2.179   2.704  -3.510
  232   HD23  LEU  34          HD23      LEU  34  -0.888   3.843  -3.899
  233    H    CYS  35           H        CYS  35  -1.381  -1.814  -5.438
  234    HA   CYS  35           HA       CYS  35  -1.521  -2.987  -8.056
  235    HB2  CYS  35           HB2      CYS  35  -2.072  -4.284  -5.381
  236    HB3  CYS  35           HB3      CYS  35  -1.707  -5.105  -6.895
  237    H    ARG  36           H        ARG  36  -3.280  -3.193  -9.259
  238    HA   ARG  36           HA       ARG  36  -5.796  -2.269  -8.603
  239    HB2  ARG  36           HB2      ARG  36  -6.596  -3.713 -10.522
  240    HB3  ARG  36           HB3      ARG  36  -5.283  -2.605 -10.895
  241    HG2  ARG  36           HG2      ARG  36  -3.970  -4.269 -11.539
  242    HG3  ARG  36           HG3      ARG  36  -4.249  -5.149 -10.035
  243    HD2  ARG  36           HD2      ARG  36  -4.942  -6.416 -12.040
  244    HD3  ARG  36           HD3      ARG  36  -6.271  -6.113 -10.922
  245    HE   ARG  36           HE       ARG  36  -6.044  -4.154 -13.014
  246   HH11  ARG  36          HH11      ARG  36  -7.367  -7.245 -12.113
  247   HH12  ARG  36          HH12      ARG  36  -8.653  -7.179 -13.272
  248   HH21  ARG  36          HH21      ARG  36  -7.733  -4.055 -14.544
  249   HH22  ARG  36          HH22      ARG  36  -8.859  -5.365 -14.655
  Start of MODEL    2
    1    H    MET   1           H        MET   1   1.037   0.592   0.019
    2    HA   MET   1           HA       MET   1   1.868   0.030  -2.410
    3    HB2  MET   1           HB2      MET   1   3.803   1.670  -2.097
    4    HB3  MET   1           HB3      MET   1   2.191   2.250  -1.697
    5    HG2  MET   1           HG2      MET   1   2.633   2.377   0.527
    6    HG3  MET   1           HG3      MET   1   3.798   1.056   0.486
    7    HE1  MET   1           HE1      MET   1   6.222   2.121  -1.679
    8    HE2  MET   1           HE2      MET   1   7.089   2.473  -0.184
    9    HE3  MET   1           HE3      MET   1   5.996   1.090  -0.264
   10    H    CYS   2           H        CYS   2   2.626  -2.002  -2.848
   11    HA   CYS   2           HA       CYS   2   4.557  -3.442  -1.502
   12    HB2  CYS   2           HB2      CYS   2   3.090  -4.247  -3.394
   13    HB3  CYS   2           HB3      CYS   2   4.211  -3.462  -4.503
   14    H    MET   3           H        MET   3   4.958  -0.908  -3.904
   15    HA   MET   3           HA       MET   3   7.658  -0.449  -3.059
   16    HB2  MET   3           HB2      MET   3   8.831  -1.012  -5.009
   17    HB3  MET   3           HB3      MET   3   7.759  -2.381  -4.747
   18    HG2  MET   3           HG2      MET   3   6.212  -1.500  -6.412
   19    HG3  MET   3           HG3      MET   3   7.273  -0.116  -6.668
   20    HE1  MET   3           HE1      MET   3  10.378  -1.528  -8.289
   21    HE2  MET   3           HE2      MET   3   9.769  -0.458  -7.025
   22    HE3  MET   3           HE3      MET   3  10.309  -2.088  -6.618
   23    HA   PRO   4           HA       PRO   4   6.693   3.624  -4.381
   24    HB2  PRO   4           HB2      PRO   4   9.160   4.592  -4.973
   25    HB3  PRO   4           HB3      PRO   4   8.614   4.299  -3.317
   26    HG2  PRO   4           HG2      PRO   4  10.340   2.594  -5.072
   27    HG3  PRO   4           HG3      PRO   4  10.530   2.982  -3.352
   28    HD2  PRO   4           HD2      PRO   4   9.490   0.634  -4.211
   29    HD3  PRO   4           HD3      PRO   4   8.979   1.408  -2.698
   30    H    CYS   5           H        CYS   5   5.832   4.345  -6.217
   31    HA   CYS   5           HA       CYS   5   6.931   3.391  -8.766
   32    HB2  CYS   5           HB2      CYS   5   4.374   3.303  -7.896
   33    HB3  CYS   5           HB3      CYS   5   4.358   4.857  -8.726
   34    H    PHE   6           H        PHE   6   6.631   4.991 -10.624
   35    HA   PHE   6           HA       PHE   6   7.015   7.772  -9.834
   36    HB2  PHE   6           HB2      PHE   6   9.070   6.106 -11.276
   37    HB3  PHE   6           HB3      PHE   6   9.030   7.860 -11.425
   38    HD1  PHE   6           HD1      PHE   6   9.912   9.245  -9.743
   39    HD2  PHE   6           HD2      PHE   6   9.424   5.078  -9.026
   40    HE1  PHE   6           HE1      PHE   6  11.225   9.451  -7.672
   41    HE2  PHE   6           HE2      PHE   6  10.734   5.278  -6.954
   42    HZ   PHE   6           HZ       PHE   6  11.636   7.466  -6.273
   43    H    THR   7           H        THR   7   6.403   9.243 -11.376
   44    HA   THR   7           HA       THR   7   4.833   8.184 -13.570
   45    HB   THR   7           HB       THR   7   4.035  10.448 -13.895
   46    HG1  THR   7           HG1      THR   7   4.906  12.162 -12.695
   47   HG21  THR   7          HG21      THR   7   3.913  10.623 -11.018
   48   HG22  THR   7          HG22      THR   7   3.701   8.955 -11.551
   49   HG23  THR   7          HG23      THR   7   2.639  10.220 -12.169
   50    H    THR   8           H        THR   8   7.771  10.059 -13.093
   51    HA   THR   8           HA       THR   8   8.132  10.674 -15.866
   52    HB   THR   8           HB       THR   8   9.115  12.094 -14.121
   53    HG1  THR   8           HG1      THR   8  11.332  12.035 -15.054
   54   HG21  THR   8          HG21      THR   8  11.342  10.245 -13.577
   55   HG22  THR   8          HG22      THR   8   9.797   9.801 -12.849
   56   HG23  THR   8          HG23      THR   8  10.516  11.373 -12.503
   57    H    ASP   9           H        ASP   9   8.870   7.989 -13.834
   58    HA   ASP   9           HA       ASP   9  10.901   6.913 -15.599
   59    HB2  ASP   9           HB2      ASP   9   9.542   5.712 -13.176
   60    HB3  ASP   9           HB3      ASP   9  10.896   4.989 -14.041
   61    H    HIS  10           H        HIS  10  10.597   5.481 -17.192
   62    HA   HIS  10           HA       HIS  10   7.858   4.655 -17.775
   63    HB2  HIS  10           HB2      HIS  10   9.403   5.747 -19.495
   64    HB3  HIS  10           HB3      HIS  10  10.273   4.217 -19.526
   65    HD1  HIS  10           HD1      HIS  10   6.783   5.558 -20.176
   66    HD2  HIS  10           HD2      HIS  10   9.225   2.363 -21.220
   67    HE1  HIS  10           HE1      HIS  10   5.515   4.290 -21.938
   68    H    GLN  11           H        GLN  11  11.023   3.304 -17.060
   69    HA   GLN  11           HA       GLN  11  10.155   0.584 -17.463
   70    HB2  GLN  11           HB2      GLN  11  12.389  -0.019 -16.639
   71    HB3  GLN  11           HB3      GLN  11  12.473   1.189 -17.913
   72    HG2  GLN  11           HG2      GLN  11  13.181   2.841 -16.496
   73    HG3  GLN  11           HG3      GLN  11  12.441   2.096 -15.081
   74   HE21  GLN  11          HE21      GLN  11  14.969   1.476 -17.488
   75   HE22  GLN  11          HE22      GLN  11  16.093   0.774 -16.380
   76    H    MET  12           H        MET  12   9.958   2.861 -14.960
   77    HA   MET  12           HA       MET  12  10.167   1.204 -12.691
   78    HB2  MET  12           HB2      MET  12  10.233   3.638 -12.531
   79    HB3  MET  12           HB3      MET  12   8.570   3.740 -13.094
   80    HG2  MET  12           HG2      MET  12   8.425   4.020 -10.790
   81    HG3  MET  12           HG3      MET  12   7.970   2.340 -11.057
   82    HE1  MET  12           HE1      MET  12   8.963   1.035  -8.460
   83    HE2  MET  12           HE2      MET  12   8.694   0.588 -10.144
   84    HE3  MET  12           HE3      MET  12  10.235   0.218  -9.369
   85    H    ALA  13           H        ALA  13   7.438   2.052 -14.769
   86    HA   ALA  13           HA       ALA  13   5.336   1.012 -13.315
   87    HB1  ALA  13           HB1      ALA  13   4.524   0.385 -15.787
   88    HB2  ALA  13           HB2      ALA  13   4.538   2.037 -15.169
   89    HB3  ALA  13           HB3      ALA  13   5.858   1.467 -16.188
   90    H    ARG  14           H        ARG  14   7.658  -0.683 -15.363
   91    HA   ARG  14           HA       ARG  14   6.455  -3.179 -15.491
   92    HB2  ARG  14           HB2      ARG  14   9.069  -2.073 -15.978
   93    HB3  ARG  14           HB3      ARG  14   9.218  -3.642 -15.198
   94    HG2  ARG  14           HG2      ARG  14   8.473  -4.757 -17.001
   95    HG3  ARG  14           HG3      ARG  14   7.289  -3.515 -17.411
   96    HD2  ARG  14           HD2      ARG  14   8.724  -2.406 -18.759
   97    HD3  ARG  14           HD3      ARG  14  10.116  -2.748 -17.731
   98    HE   ARG  14           HE       ARG  14   9.233  -5.105 -19.026
   99   HH11  ARG  14          HH11      ARG  14  10.927  -2.120 -19.612
  100   HH12  ARG  14          HH12      ARG  14  11.862  -2.757 -20.924
  101   HH21  ARG  14          HH21      ARG  14  10.459  -5.956 -20.751
  102   HH22  ARG  14          HH22      ARG  14  11.595  -4.938 -21.571
  103    H    LYS  15           H        LYS  15   8.886  -2.083 -13.121
  104    HA   LYS  15           HA       LYS  15   8.821  -4.366 -11.508
  105    HB2  LYS  15           HB2      LYS  15   9.433  -1.507 -10.738
  106    HB3  LYS  15           HB3      LYS  15   9.799  -2.915  -9.751
  107    HG2  LYS  15           HG2      LYS  15  11.381  -3.714 -11.339
  108    HG3  LYS  15           HG3      LYS  15  10.888  -2.503 -12.525
  109    HD2  LYS  15           HD2      LYS  15  11.895  -1.621  -9.854
  110    HD3  LYS  15           HD3      LYS  15  13.046  -2.149 -11.085
  111    HE2  LYS  15           HE2      LYS  15  11.324  -0.455 -12.445
  112    HE3  LYS  15           HE3      LYS  15  11.540   0.324 -10.879
  113    HZ1  LYS  15           HZ1      LYS  15  13.989   0.016 -11.241
  114    HZ2  LYS  15           HZ2      LYS  15  13.241   1.127 -12.275
  115    HZ3  LYS  15           HZ3      LYS  15  13.635  -0.419 -12.837
  116    H    CYS  16           H        CYS  16   6.926  -1.380 -11.355
  117    HA   CYS  16           HA       CYS  16   5.611  -1.723  -8.961
  118    HB2  CYS  16           HB2      CYS  16   5.241   0.308 -10.099
  119    HB3  CYS  16           HB3      CYS  16   4.723  -0.510 -11.569
  120    H    ASP  17           H        ASP  17   4.752  -3.071 -12.127
  121    HA   ASP  17           HA       ASP  17   2.413  -4.403 -11.188
  122    HB2  ASP  17           HB2      ASP  17   4.013  -5.108 -13.651
  123    HB3  ASP  17           HB3      ASP  17   2.299  -5.400 -13.358
  124    H    ASP  18           H        ASP  18   5.782  -5.320 -11.608
  125    HA   ASP  18           HA       ASP  18   5.490  -8.091 -11.237
  126    HB2  ASP  18           HB2      ASP  18   7.548  -6.775 -12.045
  127    HB3  ASP  18           HB3      ASP  18   7.903  -6.528 -10.338
  128    H    CYS  19           H        CYS  19   6.300  -5.523  -8.907
  129    HA   CYS  19           HA       CYS  19   6.555  -7.082  -6.633
  130    HB2  CYS  19           HB2      CYS  19   6.867  -4.500  -7.038
  131    HB3  CYS  19           HB3      CYS  19   5.211  -4.414  -6.448
  132    H    CYS  20           H        CYS  20   3.655  -5.878  -8.210
  133    HA   CYS  20           HA       CYS  20   1.840  -6.553  -6.140
  134    HB2  CYS  20           HB2      CYS  20   1.408  -6.178  -9.110
  135    HB3  CYS  20           HB3      CYS  20   0.110  -6.360  -7.935
  136    H    GLY  21           H        GLY  21   3.349  -8.367  -8.690
  137    HA2  GLY  21           HA2      GLY  21   2.910 -10.865  -7.643
  138    HA3  GLY  21           HA3      GLY  21   1.504 -10.559  -8.651
  139    H    GLY  22           H        GLY  22   2.138  -9.660 -10.913
  140    HA2  GLY  22           HA2      GLY  22   4.637 -10.789 -11.908
  141    HA3  GLY  22           HA3      GLY  22   3.155 -11.507 -12.522
  142    H    LYS  23           H        LYS  23   4.015 -10.793 -14.612
  143    HA   LYS  23           HA       LYS  23   4.165  -7.985 -15.178
  144    HB2  LYS  23           HB2      LYS  23   5.393  -9.903 -16.376
  145    HB3  LYS  23           HB3      LYS  23   3.881 -10.164 -17.236
  146    HG2  LYS  23           HG2      LYS  23   4.008  -7.723 -17.905
  147    HG3  LYS  23           HG3      LYS  23   5.666  -7.752 -17.303
  148    HD2  LYS  23           HD2      LYS  23   6.001  -9.769 -18.836
  149    HD3  LYS  23           HD3      LYS  23   4.474  -9.301 -19.587
  150    HE2  LYS  23           HE2      LYS  23   6.949  -7.592 -19.352
  151    HE3  LYS  23           HE3      LYS  23   6.362  -8.379 -20.817
  152    HZ1  LYS  23           HZ1      LYS  23   5.681  -6.126 -20.889
  153    HZ2  LYS  23           HZ2      LYS  23   5.065  -6.176 -19.315
  154    HZ3  LYS  23           HZ3      LYS  23   4.295  -7.035 -20.551
  155    H    GLY  24           H        GLY  24   2.461  -6.699 -15.386
  156    HA2  GLY  24           HA2      GLY  24   0.513  -6.053 -16.631
  157    HA3  GLY  24           HA3      GLY  24   0.067  -7.750 -16.737
  158    H    ARG  25           H        ARG  25   0.843  -7.953 -13.781
  159    HA   ARG  25           HA       ARG  25  -1.806  -7.283 -12.793
  160    HB2  ARG  25           HB2      ARG  25   0.389  -8.582 -11.196
  161    HB3  ARG  25           HB3      ARG  25  -1.349  -8.709 -10.971
  162    HG2  ARG  25           HG2      ARG  25  -1.152  -9.744 -13.432
  163    HG3  ARG  25           HG3      ARG  25   0.440 -10.171 -12.802
  164    HD2  ARG  25           HD2      ARG  25  -0.854 -11.031 -10.744
  165    HD3  ARG  25           HD3      ARG  25  -2.267 -10.976 -11.796
  166    HE   ARG  25           HE       ARG  25  -0.093 -12.861 -11.903
  167   HH11  ARG  25          HH11      ARG  25  -2.694 -11.364 -13.666
  168   HH12  ARG  25          HH12      ARG  25  -2.837 -12.658 -14.811
  169   HH21  ARG  25          HH21      ARG  25  -0.272 -14.570 -13.402
  170   HH22  ARG  25          HH22      ARG  25  -1.459 -14.481 -14.659
  171    H    GLY  26           H        GLY  26  -2.222  -5.429 -11.798
  172    HA2  GLY  26           HA2      GLY  26  -1.705  -4.041  -9.834
  173    HA3  GLY  26           HA3      GLY  26  -0.021  -4.109 -10.334
  174    H    LYS  27           H        LYS  27  -0.670  -1.681  -9.937
  175    HA   LYS  27           HA       LYS  27  -0.774  -0.487 -12.559
  176    HB2  LYS  27           HB2      LYS  27  -3.201  -0.813 -11.463
  177    HB3  LYS  27           HB3      LYS  27  -2.755   0.703 -10.693
  178    HG2  LYS  27           HG2      LYS  27  -2.972   1.880 -12.589
  179    HG3  LYS  27           HG3      LYS  27  -2.275   0.600 -13.586
  180    HD2  LYS  27           HD2      LYS  27  -5.010   0.294 -12.398
  181    HD3  LYS  27           HD3      LYS  27  -4.774   1.213 -13.887
  182    HE2  LYS  27           HE2      LYS  27  -3.793  -1.607 -13.501
  183    HE3  LYS  27           HE3      LYS  27  -5.367  -1.215 -14.190
  184    HZ1  LYS  27           HZ1      LYS  27  -4.100   0.161 -15.855
  185    HZ2  LYS  27           HZ2      LYS  27  -3.921  -1.515 -15.997
  186    HZ3  LYS  27           HZ3      LYS  27  -2.692  -0.589 -15.293
  187    H    CYS  28           H        CYS  28  -0.127   1.727 -12.567
  188    HA   CYS  28           HA       CYS  28   1.344   2.478 -10.136
  189    HB2  CYS  28           HB2      CYS  28   2.624   2.147 -12.275
  190    HB3  CYS  28           HB3      CYS  28   1.755   3.525 -12.940
  191    H    TYR  29           H        TYR  29   0.217   3.845  -8.914
  192    HA   TYR  29           HA       TYR  29  -1.069   6.140 -10.235
  193    HB2  TYR  29           HB2      TYR  29  -2.123   4.464  -7.957
  194    HB3  TYR  29           HB3      TYR  29  -2.758   6.061  -8.341
  195    HD1  TYR  29           HD1      TYR  29  -3.224   2.644  -8.843
  196    HD2  TYR  29           HD2      TYR  29  -3.392   6.350 -10.927
  197    HE1  TYR  29           HE1      TYR  29  -4.736   1.637 -10.499
  198    HE2  TYR  29           HE2      TYR  29  -4.906   5.352 -12.589
  199    HH   TYR  29           HH       TYR  29  -6.666   3.100 -12.359
  200    H    GLY  30           H        GLY  30   0.180   7.834  -9.757
  201    HA2  GLY  30           HA2      GLY  30   1.077   9.504  -8.436
  202    HA3  GLY  30           HA3      GLY  30   0.500   8.639  -7.021
  203    HA   PRO  31           HA       PRO  31   5.096   8.384  -6.946
  204    HB2  PRO  31           HB2      PRO  31   5.288   8.722  -4.260
  205    HB3  PRO  31           HB3      PRO  31   5.190  10.075  -5.394
  206    HG2  PRO  31           HG2      PRO  31   3.031   8.841  -3.727
  207    HG3  PRO  31           HG3      PRO  31   3.367  10.554  -4.032
  208    HD2  PRO  31           HD2      PRO  31   1.418   9.197  -5.333
  209    HD3  PRO  31           HD3      PRO  31   2.328  10.521  -6.089
  210    H    GLN  32           H        GLN  32   2.513   6.728  -5.338
  211    HA   GLN  32           HA       GLN  32   4.326   4.511  -4.657
  212    HB2  GLN  32           HB2      GLN  32   1.575   5.141  -3.573
  213    HB3  GLN  32           HB3      GLN  32   2.554   3.756  -3.109
  214    HG2  GLN  32           HG2      GLN  32   4.098   5.068  -1.971
  215    HG3  GLN  32           HG3      GLN  32   3.589   6.543  -2.791
  216   HE21  GLN  32          HE21      GLN  32   2.135   3.993  -0.790
  217   HE22  GLN  32          HE22      GLN  32   1.243   5.067   0.228
  218    H    CYS  33           H        CYS  33   3.707   2.371  -5.164
  219    HA   CYS  33           HA       CYS  33   2.099   2.199  -7.587
  220    HB2  CYS  33           HB2      CYS  33   4.228   1.109  -7.715
  221    HB3  CYS  33           HB3      CYS  33   3.944   0.247  -6.207
  222    H    LEU  34           H        LEU  34   0.022   1.698  -7.491
  223    HA   LEU  34           HA       LEU  34  -0.980   0.225  -5.156
  224    HB2  LEU  34           HB2      LEU  34  -2.666   1.662  -7.181
  225    HB3  LEU  34           HB3      LEU  34  -3.091   1.187  -5.538
  226    HG   LEU  34           HG       LEU  34  -1.219   3.411  -6.345
  227   HD11  LEU  34          HD11      LEU  34  -3.700   3.768  -6.595
  228   HD12  LEU  34          HD12      LEU  34  -2.871   4.891  -5.518
  229   HD13  LEU  34          HD13      LEU  34  -3.824   3.568  -4.847
  230   HD21  LEU  34          HD21      LEU  34  -2.045   2.531  -3.581
  231   HD22  LEU  34          HD22      LEU  34  -0.993   3.889  -3.988
  232   HD23  LEU  34          HD23      LEU  34  -0.467   2.235  -4.309
  233    H    CYS  35           H        CYS  35  -1.492  -1.840  -5.389
  234    HA   CYS  35           HA       CYS  35  -1.628  -3.017  -8.035
  235    HB2  CYS  35           HB2      CYS  35  -1.985  -4.397  -5.371
  236    HB3  CYS  35           HB3      CYS  35  -1.585  -5.141  -6.915
  237    H    ARG  36           H        ARG  36  -3.431  -3.518  -9.102
  238    HA   ARG  36           HA       ARG  36  -5.943  -2.623  -8.397
  239    HB2  ARG  36           HB2      ARG  36  -6.789  -4.267 -10.116
  240    HB3  ARG  36           HB3      ARG  36  -5.525  -3.177 -10.670
  241    HG2  ARG  36           HG2      ARG  36  -4.220  -4.877 -11.224
  242    HG3  ARG  36           HG3      ARG  36  -4.369  -5.584  -9.614
  243    HD2  ARG  36           HD2      ARG  36  -5.151  -7.098 -11.395
  244    HD3  ARG  36           HD3      ARG  36  -6.423  -6.686 -10.246
  245    HE   ARG  36           HE       ARG  36  -6.373  -4.988 -12.562
  246   HH11  ARG  36          HH11      ARG  36  -7.530  -7.998 -11.249
  247   HH12  ARG  36          HH12      ARG  36  -8.873  -8.108 -12.338
  248   HH21  ARG  36          HH21      ARG  36  -8.137  -5.121 -14.002
  249   HH22  ARG  36          HH22      ARG  36  -9.217  -6.472 -13.905
  Start of MODEL    3
    1    H    MET   1           H        MET   1   2.154   0.505   0.785
    2    HA   MET   1           HA       MET   1   1.572  -0.137  -2.030
    3    HB2  MET   1           HB2      MET   1   3.516   1.413  -2.514
    4    HB3  MET   1           HB3      MET   1   2.066   2.177  -1.878
    5    HG2  MET   1           HG2      MET   1   3.036   2.689   0.120
    6    HG3  MET   1           HG3      MET   1   4.172   1.344   0.040
    7    HE1  MET   1           HE1      MET   1   6.252   3.297   0.871
    8    HE2  MET   1           HE2      MET   1   6.358   1.731   0.065
    9    HE3  MET   1           HE3      MET   1   7.278   3.105  -0.551
   10    H    CYS   2           H        CYS   2   2.649  -1.761  -2.939
   11    HA   CYS   2           HA       CYS   2   4.437  -3.376  -1.464
   12    HB2  CYS   2           HB2      CYS   2   2.939  -4.113  -3.369
   13    HB3  CYS   2           HB3      CYS   2   4.107  -3.383  -4.465
   14    H    MET   3           H        MET   3   4.910  -0.837  -3.845
   15    HA   MET   3           HA       MET   3   7.621  -0.459  -3.004
   16    HB2  MET   3           HB2      MET   3   8.781  -1.050  -4.959
   17    HB3  MET   3           HB3      MET   3   7.686  -2.397  -4.679
   18    HG2  MET   3           HG2      MET   3   6.150  -1.514  -6.347
   19    HG3  MET   3           HG3      MET   3   7.224  -0.143  -6.616
   20    HE1  MET   3           HE1      MET   3   9.709  -0.548  -6.875
   21    HE2  MET   3           HE2      MET   3  10.284  -2.202  -6.664
   22    HE3  MET   3           HE3      MET   3  10.263  -1.472  -8.271
   23    HA   PRO   4           HA       PRO   4   6.773   3.635  -4.341
   24    HB2  PRO   4           HB2      PRO   4   9.267   4.531  -4.928
   25    HB3  PRO   4           HB3      PRO   4   8.709   4.259  -3.274
   26    HG2  PRO   4           HG2      PRO   4  10.393   2.502  -5.018
   27    HG3  PRO   4           HG3      PRO   4  10.588   2.889  -3.297
   28    HD2  PRO   4           HD2      PRO   4   9.486   0.569  -4.153
   29    HD3  PRO   4           HD3      PRO   4   8.992   1.362  -2.643
   30    H    CYS   5           H        CYS   5   5.938   4.373  -6.183
   31    HA   CYS   5           HA       CYS   5   7.044   3.402  -8.724
   32    HB2  CYS   5           HB2      CYS   5   4.476   3.321  -7.864
   33    HB3  CYS   5           HB3      CYS   5   4.470   4.858  -8.722
   34    H    PHE   6           H        PHE   6   6.759   5.001 -10.584
   35    HA   PHE   6           HA       PHE   6   7.121   7.783  -9.791
   36    HB2  PHE   6           HB2      PHE   6   9.194   6.146 -11.247
   37    HB3  PHE   6           HB3      PHE   6   9.156   7.904 -11.326
   38    HD1  PHE   6           HD1      PHE   6   9.985   9.228  -9.559
   39    HD2  PHE   6           HD2      PHE   6   9.559   5.023  -9.057
   40    HE1  PHE   6           HE1      PHE   6  11.276   9.351  -7.468
   41    HE2  PHE   6           HE2      PHE   6  10.848   5.139  -6.964
   42    HZ   PHE   6           HZ       PHE   6  11.709   7.304  -6.168
   43    H    THR   7           H        THR   7   6.094   9.106 -11.143
   44    HA   THR   7           HA       THR   7   4.722   8.065 -13.424
   45    HB   THR   7           HB       THR   7   3.913  10.371 -13.749
   46    HG1  THR   7           HG1      THR   7   5.161  11.911 -13.025
   47   HG21  THR   7          HG21      THR   7   3.270   8.667 -11.723
   48   HG22  THR   7          HG22      THR   7   2.403  10.158 -12.091
   49   HG23  THR   7          HG23      THR   7   3.641  10.143 -10.835
   50    H    THR   8           H        THR   8   7.584  10.043 -12.920
   51    HA   THR   8           HA       THR   8   7.918  10.752 -15.666
   52    HB   THR   8           HB       THR   8   8.903  12.132 -13.910
   53    HG1  THR   8           HG1      THR   8  10.746  12.511 -15.021
   54   HG21  THR   8          HG21      THR   8   9.427  10.300 -12.330
   55   HG22  THR   8          HG22      THR   8  10.798  11.377 -12.598
   56   HG23  THR   8          HG23      THR   8  10.748   9.800 -13.384
   57    H    ASP   9           H        ASP   9   8.717   7.996 -13.756
   58    HA   ASP   9           HA       ASP   9  10.717   7.025 -15.626
   59    HB2  ASP   9           HB2      ASP   9   9.521   5.722 -13.170
   60    HB3  ASP   9           HB3      ASP   9  10.870   5.087 -14.108
   61    H    HIS  10           H        HIS  10  10.375   5.593 -17.216
   62    HA   HIS  10           HA       HIS  10   7.630   4.713 -17.681
   63    HB2  HIS  10           HB2      HIS  10  10.049   4.544 -19.490
   64    HB3  HIS  10           HB3      HIS  10   8.388   4.175 -19.945
   65    HD1  HIS  10           HD1      HIS  10   6.707   6.371 -19.557
   66    HD2  HIS  10           HD2      HIS  10  10.763   7.066 -20.130
   67    HE1  HIS  10           HE1      HIS  10   6.883   8.777 -20.266
   68    H    GLN  11           H        GLN  11  10.847   3.428 -17.105
   69    HA   GLN  11           HA       GLN  11  10.034   0.693 -17.516
   70    HB2  GLN  11           HB2      GLN  11  12.296   0.117 -16.863
   71    HB3  GLN  11           HB3      GLN  11  12.333   1.449 -18.009
   72    HG2  GLN  11           HG2      GLN  11  12.310   2.830 -15.708
   73    HG3  GLN  11           HG3      GLN  11  13.126   1.361 -15.175
   74   HE21  GLN  11          HE21      GLN  11  13.857   4.295 -15.908
   75   HE22  GLN  11          HE22      GLN  11  15.312   4.103 -16.820
   76    H    MET  12           H        MET  12   9.863   2.932 -14.977
   77    HA   MET  12           HA       MET  12  10.186   1.249 -12.741
   78    HB2  MET  12           HB2      MET  12  10.196   3.696 -12.577
   79    HB3  MET  12           HB3      MET  12   8.498   3.740 -13.032
   80    HG2  MET  12           HG2      MET  12   8.530   4.003 -10.707
   81    HG3  MET  12           HG3      MET  12   8.050   2.330 -10.983
   82    HE1  MET  12           HE1      MET  12   8.436   1.348  -8.925
   83    HE2  MET  12           HE2      MET  12   9.463   0.231  -9.825
   84    HE3  MET  12           HE3      MET  12  10.007   0.874  -8.275
   85    H    ALA  13           H        ALA  13   7.374   2.059 -14.719
   86    HA   ALA  13           HA       ALA  13   5.345   0.953 -13.209
   87    HB1  ALA  13           HB1      ALA  13   4.399   1.931 -14.997
   88    HB2  ALA  13           HB2      ALA  13   5.755   1.545 -16.056
   89    HB3  ALA  13           HB3      ALA  13   4.527   0.325 -15.714
   90    H    ARG  14           H        ARG  14   7.700  -0.651 -15.268
   91    HA   ARG  14           HA       ARG  14   6.556  -3.168 -15.480
   92    HB2  ARG  14           HB2      ARG  14   8.985  -2.014 -16.158
   93    HB3  ARG  14           HB3      ARG  14   9.432  -3.288 -15.032
   94    HG2  ARG  14           HG2      ARG  14   7.738  -4.659 -16.583
   95    HG3  ARG  14           HG3      ARG  14   8.307  -3.467 -17.754
   96    HD2  ARG  14           HD2      ARG  14  10.475  -4.570 -16.173
   97    HD3  ARG  14           HD3      ARG  14   9.580  -5.822 -17.034
   98    HE   ARG  14           HE       ARG  14  10.019  -3.900 -18.914
   99   HH11  ARG  14          HH11      ARG  14  12.051  -5.725 -16.757
  100   HH12  ARG  14          HH12      ARG  14  13.420  -5.707 -17.820
  101   HH21  ARG  14          HH21      ARG  14  11.812  -3.869 -20.323
  102   HH22  ARG  14          HH22      ARG  14  13.282  -4.650 -19.848
  103    H    LYS  15           H        LYS  15   8.918  -2.087 -13.034
  104    HA   LYS  15           HA       LYS  15   8.825  -4.412 -11.471
  105    HB2  LYS  15           HB2      LYS  15   9.490  -1.566 -10.698
  106    HB3  LYS  15           HB3      LYS  15   9.762  -2.961  -9.662
  107    HG2  LYS  15           HG2      LYS  15  11.459  -3.792 -11.009
  108    HG3  LYS  15           HG3      LYS  15  10.939  -2.851 -12.410
  109    HD2  LYS  15           HD2      LYS  15  11.878  -1.463  -9.930
  110    HD3  LYS  15           HD3      LYS  15  13.049  -2.118 -11.078
  111    HE2  LYS  15           HE2      LYS  15  11.312  -0.795 -12.721
  112    HE3  LYS  15           HE3      LYS  15  11.308   0.228 -11.285
  113    HZ1  LYS  15           HZ1      LYS  15  13.881  -0.085 -11.503
  114    HZ2  LYS  15           HZ2      LYS  15  13.073   1.089 -12.413
  115    HZ3  LYS  15           HZ3      LYS  15  13.506  -0.385 -13.124
  116    H    CYS  16           H        CYS  16   6.952  -1.415 -11.302
  117    HA   CYS  16           HA       CYS  16   5.613  -1.769  -8.924
  118    HB2  CYS  16           HB2      CYS  16   5.269   0.271 -10.061
  119    HB3  CYS  16           HB3      CYS  16   4.743  -0.542 -11.532
  120    H    ASP  17           H        ASP  17   4.863  -3.168 -12.083
  121    HA   ASP  17           HA       ASP  17   2.474  -4.466 -11.199
  122    HB2  ASP  17           HB2      ASP  17   4.147  -5.152 -13.621
  123    HB3  ASP  17           HB3      ASP  17   2.442  -5.514 -13.364
  124    H    ASP  18           H        ASP  18   5.850  -5.391 -11.518
  125    HA   ASP  18           HA       ASP  18   5.543  -8.160 -11.136
  126    HB2  ASP  18           HB2      ASP  18   7.623  -6.885 -11.912
  127    HB3  ASP  18           HB3      ASP  18   7.930  -6.570 -10.207
  128    H    CYS  19           H        CYS  19   6.297  -5.576  -8.806
  129    HA   CYS  19           HA       CYS  19   6.489  -7.117  -6.513
  130    HB2  CYS  19           HB2      CYS  19   6.831  -4.546  -6.918
  131    HB3  CYS  19           HB3      CYS  19   5.150  -4.439  -6.404
  132    H    CYS  20           H        CYS  20   3.636  -5.937  -8.186
  133    HA   CYS  20           HA       CYS  20   1.773  -6.617  -6.148
  134    HB2  CYS  20           HB2      CYS  20   1.401  -6.175  -9.116
  135    HB3  CYS  20           HB3      CYS  20   0.079  -6.377  -7.971
  136    H    GLY  21           H        GLY  21   3.319  -8.385  -8.708
  137    HA2  GLY  21           HA2      GLY  21   2.873 -10.901  -7.735
  138    HA3  GLY  21           HA3      GLY  21   1.459 -10.571  -8.724
  139    H    GLY  22           H        GLY  22   1.951  -9.792 -10.989
  140    HA2  GLY  22           HA2      GLY  22   4.501 -10.734 -12.047
  141    HA3  GLY  22           HA3      GLY  22   3.067 -11.597 -12.582
  142    H    LYS  23           H        LYS  23   4.527 -10.494 -14.507
  143    HA   LYS  23           HA       LYS  23   4.170  -7.847 -15.202
  144    HB2  LYS  23           HB2      LYS  23   5.581  -9.520 -16.416
  145    HB3  LYS  23           HB3      LYS  23   4.112 -10.181 -17.122
  146    HG2  LYS  23           HG2      LYS  23   3.657  -8.021 -18.184
  147    HG3  LYS  23           HG3      LYS  23   5.149  -7.378 -17.494
  148    HD2  LYS  23           HD2      LYS  23   5.800  -7.981 -19.638
  149    HD3  LYS  23           HD3      LYS  23   6.275  -9.387 -18.682
  150    HE2  LYS  23           HE2      LYS  23   5.210 -10.351 -20.498
  151    HE3  LYS  23           HE3      LYS  23   3.925 -10.288 -19.293
  152    HZ1  LYS  23           HZ1      LYS  23   3.962  -9.147 -21.847
  153    HZ2  LYS  23           HZ2      LYS  23   3.905  -7.884 -20.722
  154    HZ3  LYS  23           HZ3      LYS  23   2.723  -9.094 -20.695
  155    H    GLY  24           H        GLY  24   2.401  -6.665 -15.469
  156    HA2  GLY  24           HA2      GLY  24   0.403  -6.188 -16.711
  157    HA3  GLY  24           HA3      GLY  24   0.056  -7.910 -16.738
  158    H    ARG  25           H        ARG  25   0.879  -7.942 -13.789
  159    HA   ARG  25           HA       ARG  25  -1.786  -7.304 -12.791
  160    HB2  ARG  25           HB2      ARG  25   0.412  -8.617 -11.211
  161    HB3  ARG  25           HB3      ARG  25  -1.326  -8.734 -10.975
  162    HG2  ARG  25           HG2      ARG  25  -1.167  -9.777 -13.428
  163    HG3  ARG  25           HG3      ARG  25   0.440 -10.198 -12.832
  164    HD2  ARG  25           HD2      ARG  25  -0.374 -11.605 -11.223
  165    HD3  ARG  25           HD3      ARG  25  -1.889 -10.718 -11.062
  166    HE   ARG  25           HE       ARG  25  -2.802 -12.131 -12.595
  167   HH11  ARG  25          HH11      ARG  25   0.657 -12.170 -12.984
  168   HH12  ARG  25          HH12      ARG  25   0.638 -13.412 -14.192
  169   HH21  ARG  25          HH21      ARG  25  -2.840 -13.767 -14.184
  170   HH22  ARG  25          HH22      ARG  25  -1.352 -14.319 -14.874
  171    H    GLY  26           H        GLY  26  -2.174  -5.440 -11.804
  172    HA2  GLY  26           HA2      GLY  26  -1.631  -4.052  -9.848
  173    HA3  GLY  26           HA3      GLY  26   0.050  -4.143 -10.353
  174    H    LYS  27           H        LYS  27  -0.617  -1.702  -9.945
  175    HA   LYS  27           HA       LYS  27  -0.672  -0.508 -12.569
  176    HB2  LYS  27           HB2      LYS  27  -3.118  -0.830 -11.452
  177    HB3  LYS  27           HB3      LYS  27  -2.673   0.733 -10.782
  178    HG2  LYS  27           HG2      LYS  27  -2.818   1.785 -12.772
  179    HG3  LYS  27           HG3      LYS  27  -2.236   0.387 -13.678
  180    HD2  LYS  27           HD2      LYS  27  -4.924   0.290 -12.379
  181    HD3  LYS  27           HD3      LYS  27  -4.723   1.159 -13.903
  182    HE2  LYS  27           HE2      LYS  27  -3.602  -0.973 -14.759
  183    HE3  LYS  27           HE3      LYS  27  -4.277  -1.757 -13.331
  184    HZ1  LYS  27           HZ1      LYS  27  -5.683  -1.967 -15.328
  185    HZ2  LYS  27           HZ2      LYS  27  -5.882  -0.287 -15.351
  186    HZ3  LYS  27           HZ3      LYS  27  -6.475  -1.192 -14.049
  187    H    CYS  28           H        CYS  28   0.014   1.681 -12.574
  188    HA   CYS  28           HA       CYS  28   1.415   2.445 -10.107
  189    HB2  CYS  28           HB2      CYS  28   2.749   2.100 -12.210
  190    HB3  CYS  28           HB3      CYS  28   1.899   3.474 -12.908
  191    H    TYR  29           H        TYR  29   0.261   3.820  -8.920
  192    HA   TYR  29           HA       TYR  29  -1.010   6.098 -10.288
  193    HB2  TYR  29           HB2      TYR  29  -2.057   4.461  -7.979
  194    HB3  TYR  29           HB3      TYR  29  -2.692   6.053  -8.382
  195    HD1  TYR  29           HD1      TYR  29  -3.215   2.651  -8.799
  196    HD2  TYR  29           HD2      TYR  29  -3.285   6.288 -11.005
  197    HE1  TYR  29           HE1      TYR  29  -4.733   1.621 -10.438
  198    HE2  TYR  29           HE2      TYR  29  -4.805   5.270 -12.649
  199    HH   TYR  29           HH       TYR  29  -5.966   3.466 -13.213
  200    H    GLY  30           H        GLY  30   0.268   7.786  -9.858
  201    HA2  GLY  30           HA2      GLY  30   1.165   9.490  -8.579
  202    HA3  GLY  30           HA3      GLY  30   0.570   8.671  -7.142
  203    HA   PRO  31           HA       PRO  31   5.161   8.385  -7.011
  204    HB2  PRO  31           HB2      PRO  31   5.322   8.767  -4.329
  205    HB3  PRO  31           HB3      PRO  31   5.244  10.100  -5.486
  206    HG2  PRO  31           HG2      PRO  31   3.061   8.903  -3.824
  207    HG3  PRO  31           HG3      PRO  31   3.407  10.611  -4.154
  208    HD2  PRO  31           HD2      PRO  31   1.468   9.240  -5.454
  209    HD3  PRO  31           HD3      PRO  31   2.392  10.548  -6.222
  210    H    GLN  32           H        GLN  32   2.553   6.768  -5.401
  211    HA   GLN  32           HA       GLN  32   4.346   4.553  -4.669
  212    HB2  GLN  32           HB2      GLN  32   1.563   5.110  -3.631
  213    HB3  GLN  32           HB3      GLN  32   2.660   3.857  -3.065
  214    HG2  GLN  32           HG2      GLN  32   4.238   5.656  -2.367
  215    HG3  GLN  32           HG3      GLN  32   2.987   6.831  -2.771
  216   HE21  GLN  32          HE21      GLN  32   3.054   7.499  -0.573
  217   HE22  GLN  32          HE22      GLN  32   2.234   6.592   0.646
  218    H    CYS  33           H        CYS  33   3.742   2.416  -5.168
  219    HA   CYS  33           HA       CYS  33   2.131   2.213  -7.585
  220    HB2  CYS  33           HB2      CYS  33   4.258   1.119  -7.701
  221    HB3  CYS  33           HB3      CYS  33   3.977   0.280  -6.179
  222    H    LEU  34           H        LEU  34   0.063   1.674  -7.511
  223    HA   LEU  34           HA       LEU  34  -0.934   0.205  -5.165
  224    HB2  LEU  34           HB2      LEU  34  -2.616   1.721  -7.135
  225    HB3  LEU  34           HB3      LEU  34  -3.046   1.192  -5.510
  226    HG   LEU  34           HG       LEU  34  -1.086   3.385  -6.192
  227   HD11  LEU  34          HD11      LEU  34  -2.722   4.930  -5.582
  228   HD12  LEU  34          HD12      LEU  34  -3.733   3.703  -4.821
  229   HD13  LEU  34          HD13      LEU  34  -3.593   3.764  -6.577
  230   HD21  LEU  34          HD21      LEU  34  -2.184   2.643  -3.490
  231   HD22  LEU  34          HD22      LEU  34  -0.890   3.781  -3.867
  232   HD23  LEU  34          HD23      LEU  34  -0.638   2.050  -4.097
  233    H    CYS  35           H        CYS  35  -1.427  -1.858  -5.445
  234    HA   CYS  35           HA       CYS  35  -1.575  -3.000  -8.087
  235    HB2  CYS  35           HB2      CYS  35  -2.095  -4.371  -5.445
  236    HB3  CYS  35           HB3      CYS  35  -1.670  -5.130  -6.976
  237    H    ARG  36           H        ARG  36  -3.346  -4.185  -8.931
  238    HA   ARG  36           HA       ARG  36  -5.812  -2.930  -8.807
  239    HB2  ARG  36           HB2      ARG  36  -4.830  -5.530  -9.856
  240    HB3  ARG  36           HB3      ARG  36  -6.570  -5.357  -9.660
  241    HG2  ARG  36           HG2      ARG  36  -5.124  -3.171 -11.043
  242    HG3  ARG  36           HG3      ARG  36  -5.323  -4.701 -11.901
  243    HD2  ARG  36           HD2      ARG  36  -7.809  -4.465 -11.106
  244    HD3  ARG  36           HD3      ARG  36  -7.387  -2.759 -10.966
  245    HE   ARG  36           HE       ARG  36  -7.450  -2.611 -13.240
  246   HH11  ARG  36          HH11      ARG  36  -7.092  -5.958 -12.349
  247   HH12  ARG  36          HH12      ARG  36  -7.252  -6.542 -13.973
  248   HH21  ARG  36          HH21      ARG  36  -7.661  -3.369 -15.382
  249   HH22  ARG  36          HH22      ARG  36  -7.575  -5.069 -15.697
  Start of MODEL    4
    1    H    MET   1           H        MET   1   1.803  -0.208   0.521
    2    HA   MET   1           HA       MET   1   1.846   0.057  -2.413
    3    HB2  MET   1           HB2      MET   1   3.773   1.684  -1.996
    4    HB3  MET   1           HB3      MET   1   2.150   2.257  -1.637
    5    HG2  MET   1           HG2      MET   1   2.503   2.285   0.617
    6    HG3  MET   1           HG3      MET   1   3.723   1.015   0.553
    7    HE1  MET   1           HE1      MET   1   5.625   1.344  -1.084
    8    HE2  MET   1           HE2      MET   1   6.361   2.885  -1.526
    9    HE3  MET   1           HE3      MET   1   6.789   2.107  -0.002
   10    H    CYS   2           H        CYS   2   2.591  -1.995  -2.838
   11    HA   CYS   2           HA       CYS   2   4.510  -3.437  -1.470
   12    HB2  CYS   2           HB2      CYS   2   3.050  -4.232  -3.379
   13    HB3  CYS   2           HB3      CYS   2   4.198  -3.469  -4.473
   14    H    MET   3           H        MET   3   4.926  -0.908  -3.875
   15    HA   MET   3           HA       MET   3   7.617  -0.438  -3.014
   16    HB2  MET   3           HB2      MET   3   8.806  -1.004  -4.959
   17    HB3  MET   3           HB3      MET   3   7.758  -2.386  -4.668
   18    HG2  MET   3           HG2      MET   3   6.201  -1.578  -6.353
   19    HG3  MET   3           HG3      MET   3   7.223  -0.169  -6.631
   20    HE1  MET   3           HE1      MET   3   9.724  -0.506  -6.822
   21    HE2  MET   3           HE2      MET   3  10.380  -2.138  -6.699
   22    HE3  MET   3           HE3      MET   3  10.294  -1.339  -8.269
   23    HA   PRO   4           HA       PRO   4   6.653   3.617  -4.388
   24    HB2  PRO   4           HB2      PRO   4   9.124   4.587  -4.958
   25    HB3  PRO   4           HB3      PRO   4   8.559   4.310  -3.306
   26    HG2  PRO   4           HG2      PRO   4  10.312   2.594  -5.021
   27    HG3  PRO   4           HG3      PRO   4  10.479   2.999  -3.302
   28    HD2  PRO   4           HD2      PRO   4   9.458   0.639  -4.150
   29    HD3  PRO   4           HD3      PRO   4   8.924   1.427  -2.652
   30    H    CYS   5           H        CYS   5   5.814   4.318  -6.242
   31    HA   CYS   5           HA       CYS   5   6.941   3.335  -8.766
   32    HB2  CYS   5           HB2      CYS   5   4.376   3.265  -7.932
   33    HB3  CYS   5           HB3      CYS   5   4.376   4.818  -8.763
   34    H    PHE   6           H        PHE   6   6.656   4.922 -10.647
   35    HA   PHE   6           HA       PHE   6   7.065   7.704  -9.879
   36    HB2  PHE   6           HB2      PHE   6   9.108   6.004 -11.296
   37    HB3  PHE   6           HB3      PHE   6   9.085   7.756 -11.467
   38    HD1  PHE   6           HD1      PHE   6   9.945   9.162  -9.782
   39    HD2  PHE   6           HD2      PHE   6   9.476   4.996  -9.050
   40    HE1  PHE   6           HE1      PHE   6  11.253   9.382  -7.710
   41    HE2  PHE   6           HE2      PHE   6  10.781   5.209  -6.976
   42    HZ   PHE   6           HZ       PHE   6  11.673   7.404  -6.304
   43    H    THR   7           H        THR   7   5.899   8.956 -11.167
   44    HA   THR   7           HA       THR   7   4.577   7.926 -13.469
   45    HB   THR   7           HB       THR   7   3.579  10.093 -13.709
   46    HG1  THR   7           HG1      THR   7   4.609  11.856 -13.147
   47   HG21  THR   7          HG21      THR   7   3.722  10.201 -10.788
   48   HG22  THR   7          HG22      THR   7   3.382   8.592 -11.424
   49   HG23  THR   7          HG23      THR   7   2.335   9.946 -11.844
   50    H    THR   8           H        THR   8   7.395   9.963 -12.954
   51    HA   THR   8           HA       THR   8   7.701  10.698 -15.700
   52    HB   THR   8           HB       THR   8   8.644  12.103 -13.942
   53    HG1  THR   8           HG1      THR   8   9.875  12.501 -15.641
   54   HG21  THR   8          HG21      THR   8  10.868  10.203 -13.420
   55   HG22  THR   8          HG22      THR   8   9.324   9.888 -12.627
   56   HG23  THR   8          HG23      THR   8  10.151  11.424 -12.369
   57    H    ASP   9           H        ASP   9   8.584   7.963 -13.798
   58    HA   ASP   9           HA       ASP   9  10.599   7.057 -15.688
   59    HB2  ASP   9           HB2      ASP   9   9.491   5.683 -13.231
   60    HB3  ASP   9           HB3      ASP   9  10.892   5.165 -14.164
   61    H    HIS  10           H        HIS  10  10.289   5.588 -17.254
   62    HA   HIS  10           HA       HIS  10   7.567   4.617 -17.675
   63    HB2  HIS  10           HB2      HIS  10   9.991   4.624 -19.483
   64    HB3  HIS  10           HB3      HIS  10   8.412   3.991 -19.937
   65    HD1  HIS  10           HD1      HIS  10   6.412   5.898 -19.714
   66    HD2  HIS  10           HD2      HIS  10  10.326   7.221 -20.151
   67    HE1  HIS  10           HE1      HIS  10   6.233   8.280 -20.500
   68    H    GLN  11           H        GLN  11  10.831   3.439 -17.132
   69    HA   GLN  11           HA       GLN  11  10.094   0.675 -17.493
   70    HB2  GLN  11           HB2      GLN  11  12.395   0.194 -16.794
   71    HB3  GLN  11           HB3      GLN  11  12.351   1.417 -18.057
   72    HG2  GLN  11           HG2      GLN  11  12.366   2.373 -15.258
   73    HG3  GLN  11           HG3      GLN  11  13.849   1.643 -15.871
   74   HE21  GLN  11          HE21      GLN  11  12.993   4.456 -15.162
   75   HE22  GLN  11          HE22      GLN  11  13.463   5.396 -16.533
   76    H    MET  12           H        MET  12   9.899   2.943 -14.981
   77    HA   MET  12           HA       MET  12  10.316   1.313 -12.725
   78    HB2  MET  12           HB2      MET  12  10.231   3.749 -12.575
   79    HB3  MET  12           HB3      MET  12   8.537   3.735 -13.051
   80    HG2  MET  12           HG2      MET  12   8.592   4.045 -10.714
   81    HG3  MET  12           HG3      MET  12   8.065   2.387 -10.997
   82    HE1  MET  12           HE1      MET  12   8.361   1.181  -9.315
   83    HE2  MET  12           HE2      MET  12   9.761   0.165  -9.657
   84    HE3  MET  12           HE3      MET  12   9.689   1.091  -8.157
   85    H    ALA  13           H        ALA  13   7.424   1.998 -14.642
   86    HA   ALA  13           HA       ALA  13   5.499   0.779 -13.068
   87    HB1  ALA  13           HB1      ALA  13   4.403   0.271 -15.367
   88    HB2  ALA  13           HB2      ALA  13   4.645   1.946 -14.869
   89    HB3  ALA  13           HB3      ALA  13   5.757   1.198 -16.016
   90    H    ARG  14           H        ARG  14   7.837  -0.662 -15.261
   91    HA   ARG  14           HA       ARG  14   6.817  -3.209 -15.552
   92    HB2  ARG  14           HB2      ARG  14   9.106  -1.997 -16.314
   93    HB3  ARG  14           HB3      ARG  14   9.727  -3.039 -15.041
   94    HG2  ARG  14           HG2      ARG  14   9.929  -4.183 -17.126
   95    HG3  ARG  14           HG3      ARG  14   8.665  -4.972 -16.179
   96    HD2  ARG  14           HD2      ARG  14   7.085  -4.483 -17.685
   97    HD3  ARG  14           HD3      ARG  14   7.657  -2.827 -17.874
   98    HE   ARG  14           HE       ARG  14   8.262  -5.063 -19.556
   99   HH11  ARG  14          HH11      ARG  14   9.428  -1.998 -18.387
  100   HH12  ARG  14          HH12      ARG  14  10.447  -1.715 -19.760
  101   HH21  ARG  14          HH21      ARG  14   9.600  -4.701 -21.369
  102   HH22  ARG  14          HH22      ARG  14  10.544  -3.253 -21.455
  103    H    LYS  15           H        LYS  15   8.823  -1.947 -12.910
  104    HA   LYS  15           HA       LYS  15   8.829  -4.417 -11.467
  105    HB2  LYS  15           HB2      LYS  15   9.528  -1.608 -10.590
  106    HB3  LYS  15           HB3      LYS  15   9.812  -3.056  -9.633
  107    HG2  LYS  15           HG2      LYS  15  11.500  -3.805 -11.027
  108    HG3  LYS  15           HG3      LYS  15  10.947  -2.828 -12.389
  109    HD2  LYS  15           HD2      LYS  15  11.883  -1.473  -9.899
  110    HD3  LYS  15           HD3      LYS  15  13.073  -2.131 -11.024
  111    HE2  LYS  15           HE2      LYS  15  11.346  -0.800 -12.688
  112    HE3  LYS  15           HE3      LYS  15  11.362   0.228 -11.257
  113    HZ1  LYS  15           HZ1      LYS  15  13.849  -0.733 -12.545
  114    HZ2  LYS  15           HZ2      LYS  15  13.673   0.520 -11.422
  115    HZ3  LYS  15           HZ3      LYS  15  13.094   0.711 -13.000
  116    H    CYS  16           H        CYS  16   6.979  -1.416 -11.295
  117    HA   CYS  16           HA       CYS  16   5.635  -1.747  -8.918
  118    HB2  CYS  16           HB2      CYS  16   5.277   0.283 -10.050
  119    HB3  CYS  16           HB3      CYS  16   4.798  -0.527 -11.537
  120    H    ASP  17           H        ASP  17   4.824  -3.116 -12.085
  121    HA   ASP  17           HA       ASP  17   2.461  -4.429 -11.169
  122    HB2  ASP  17           HB2      ASP  17   4.105  -5.079 -13.623
  123    HB3  ASP  17           HB3      ASP  17   2.413  -5.482 -13.341
  124    H    ASP  18           H        ASP  18   5.833  -5.352 -11.541
  125    HA   ASP  18           HA       ASP  18   5.532  -8.123 -11.174
  126    HB2  ASP  18           HB2      ASP  18   7.599  -7.022 -12.016
  127    HB3  ASP  18           HB3      ASP  18   7.898  -6.410 -10.391
  128    H    CYS  19           H        CYS  19   6.326  -5.561  -8.833
  129    HA   CYS  19           HA       CYS  19   6.537  -7.124  -6.556
  130    HB2  CYS  19           HB2      CYS  19   6.880  -4.545  -6.954
  131    HB3  CYS  19           HB3      CYS  19   5.215  -4.443  -6.390
  132    H    CYS  20           H        CYS  20   3.671  -5.913  -8.185
  133    HA   CYS  20           HA       CYS  20   1.827  -6.585  -6.129
  134    HB2  CYS  20           HB2      CYS  20   1.432  -6.140  -9.094
  135    HB3  CYS  20           HB3      CYS  20   0.117  -6.341  -7.941
  136    H    GLY  21           H        GLY  21   3.338  -8.366  -8.701
  137    HA2  GLY  21           HA2      GLY  21   2.889 -10.878  -7.720
  138    HA3  GLY  21           HA3      GLY  21   1.465 -10.542  -8.693
  139    H    GLY  22           H        GLY  22   1.940  -9.761 -10.964
  140    HA2  GLY  22           HA2      GLY  22   4.470 -10.725 -12.050
  141    HA3  GLY  22           HA3      GLY  22   3.023 -11.576 -12.569
  142    H    LYS  23           H        LYS  23   4.475 -10.483 -14.508
  143    HA   LYS  23           HA       LYS  23   4.129  -7.832 -15.197
  144    HB2  LYS  23           HB2      LYS  23   5.560  -9.348 -16.464
  145    HB3  LYS  23           HB3      LYS  23   4.152 -10.248 -17.016
  146    HG2  LYS  23           HG2      LYS  23   3.361  -8.210 -18.177
  147    HG3  LYS  23           HG3      LYS  23   4.858  -7.403 -17.704
  148    HD2  LYS  23           HD2      LYS  23   4.920 -10.008 -19.185
  149    HD3  LYS  23           HD3      LYS  23   4.706  -8.484 -20.048
  150    HE2  LYS  23           HE2      LYS  23   6.977  -8.619 -20.114
  151    HE3  LYS  23           HE3      LYS  23   6.792  -7.787 -18.571
  152    HZ1  LYS  23           HZ1      LYS  23   7.524  -9.558 -17.434
  153    HZ2  LYS  23           HZ2      LYS  23   8.216 -10.021 -18.906
  154    HZ3  LYS  23           HZ3      LYS  23   6.733 -10.678 -18.425
  155    H    GLY  24           H        GLY  24   2.363  -6.641 -15.449
  156    HA2  GLY  24           HA2      GLY  24   0.359  -6.153 -16.677
  157    HA3  GLY  24           HA3      GLY  24   0.003  -7.873 -16.704
  158    H    ARG  25           H        ARG  25   0.847  -7.914 -13.761
  159    HA   ARG  25           HA       ARG  25  -1.809  -7.275 -12.743
  160    HB2  ARG  25           HB2      ARG  25   0.409  -8.579 -11.184
  161    HB3  ARG  25           HB3      ARG  25  -1.326  -8.691 -10.920
  162    HG2  ARG  25           HG2      ARG  25  -1.205  -9.745 -13.371
  163    HG3  ARG  25           HG3      ARG  25   0.409 -10.170 -12.795
  164    HD2  ARG  25           HD2      ARG  25  -0.629 -11.176 -10.781
  165    HD3  ARG  25           HD3      ARG  25  -2.216 -10.840 -11.472
  166    HE   ARG  25           HE       ARG  25  -0.446 -12.977 -12.176
  167   HH11  ARG  25          HH11      ARG  25  -2.973 -10.887 -13.349
  168   HH12  ARG  25          HH12      ARG  25  -3.501 -11.996 -14.571
  169   HH21  ARG  25          HH21      ARG  25  -1.133 -14.444 -13.781
  170   HH22  ARG  25          HH22      ARG  25  -2.455 -14.020 -14.815
  171    H    GLY  26           H        GLY  26  -2.194  -5.401 -11.775
  172    HA2  GLY  26           HA2      GLY  26  -1.681  -3.975  -9.855
  173    HA3  GLY  26           HA3      GLY  26   0.016  -4.119 -10.292
  174    H    LYS  27           H        LYS  27  -0.960  -1.644  -9.886
  175    HA   LYS  27           HA       LYS  27  -0.809  -0.499 -12.567
  176    HB2  LYS  27           HB2      LYS  27  -3.029   0.007 -10.596
  177    HB3  LYS  27           HB3      LYS  27  -2.617   1.176 -11.844
  178    HG2  LYS  27           HG2      LYS  27  -3.345  -0.191 -13.553
  179    HG3  LYS  27           HG3      LYS  27  -3.170  -1.660 -12.591
  180    HD2  LYS  27           HD2      LYS  27  -5.102  -1.112 -11.284
  181    HD3  LYS  27           HD3      LYS  27  -5.211   0.486 -12.027
  182    HE2  LYS  27           HE2      LYS  27  -5.321  -1.948 -13.751
  183    HE3  LYS  27           HE3      LYS  27  -6.752  -1.470 -12.839
  184    HZ1  LYS  27           HZ1      LYS  27  -5.530   0.721 -14.226
  185    HZ2  LYS  27           HZ2      LYS  27  -7.142   0.209 -14.225
  186    HZ3  LYS  27           HZ3      LYS  27  -6.028  -0.511 -15.275
  187    H    CYS  28           H        CYS  28  -0.213   1.771 -12.566
  188    HA   CYS  28           HA       CYS  28   1.288   2.495 -10.139
  189    HB2  CYS  28           HB2      CYS  28   2.616   2.079 -12.225
  190    HB3  CYS  28           HB3      CYS  28   1.788   3.444 -12.966
  191    H    TYR  29           H        TYR  29   0.175   3.922  -8.974
  192    HA   TYR  29           HA       TYR  29  -0.970   6.248 -10.366
  193    HB2  TYR  29           HB2      TYR  29  -2.221   4.705  -8.085
  194    HB3  TYR  29           HB3      TYR  29  -2.813   6.250  -8.685
  195    HD1  TYR  29           HD1      TYR  29  -3.388   2.859  -8.801
  196    HD2  TYR  29           HD2      TYR  29  -3.080   6.211 -11.403
  197    HE1  TYR  29           HE1      TYR  29  -4.753   1.679 -10.473
  198    HE2  TYR  29           HE2      TYR  29  -4.445   5.040 -13.082
  199    HH   TYR  29           HH       TYR  29  -6.370   2.678 -12.562
  200    H    GLY  30           H        GLY  30   0.357   7.864  -9.820
  201    HA2  GLY  30           HA2      GLY  30   1.159   9.527  -8.409
  202    HA3  GLY  30           HA3      GLY  30   0.568   8.605  -7.033
  203    HA   PRO  31           HA       PRO  31   5.179   8.374  -6.965
  204    HB2  PRO  31           HB2      PRO  31   5.377   8.720  -4.280
  205    HB3  PRO  31           HB3      PRO  31   5.282  10.069  -5.418
  206    HG2  PRO  31           HG2      PRO  31   3.122   8.850  -3.742
  207    HG3  PRO  31           HG3      PRO  31   3.465  10.562  -4.054
  208    HD2  PRO  31           HD2      PRO  31   1.507   9.209  -5.346
  209    HD3  PRO  31           HD3      PRO  31   2.421  10.526  -6.109
  210    H    GLN  32           H        GLN  32   2.588   6.727  -5.368
  211    HA   GLN  32           HA       GLN  32   4.394   4.501  -4.690
  212    HB2  GLN  32           HB2      GLN  32   1.680   5.197  -3.555
  213    HB3  GLN  32           HB3      GLN  32   2.603   3.762  -3.134
  214    HG2  GLN  32           HG2      GLN  32   4.318   5.066  -2.122
  215    HG3  GLN  32           HG3      GLN  32   3.617   6.562  -2.735
  216   HE21  GLN  32          HE21      GLN  32   4.189   6.250  -0.073
  217   HE22  GLN  32          HE22      GLN  32   2.719   6.173   0.830
  218    H    CYS  33           H        CYS  33   3.782   2.378  -5.221
  219    HA   CYS  33           HA       CYS  33   2.144   2.211  -7.614
  220    HB2  CYS  33           HB2      CYS  33   4.253   1.076  -7.724
  221    HB3  CYS  33           HB3      CYS  33   3.939   0.225  -6.216
  222    H    LEU  34           H        LEU  34   0.091   1.593  -7.612
  223    HA   LEU  34           HA       LEU  34  -0.956   0.216  -5.231
  224    HB2  LEU  34           HB2      LEU  34  -2.610   1.664  -7.276
  225    HB3  LEU  34           HB3      LEU  34  -3.055   1.200  -5.634
  226    HG   LEU  34           HG       LEU  34  -1.180   3.414  -6.457
  227   HD11  LEU  34          HD11      LEU  34  -2.836   4.873  -5.966
  228   HD12  LEU  34          HD12      LEU  34  -3.526   3.844  -4.713
  229   HD13  LEU  34          HD13      LEU  34  -3.851   3.502  -6.412
  230   HD21  LEU  34          HD21      LEU  34  -0.243   2.436  -4.501
  231   HD22  LEU  34          HD22      LEU  34  -1.825   2.296  -3.736
  232   HD23  LEU  34          HD23      LEU  34  -1.108   3.887  -3.995
  233    H    CYS  35           H        CYS  35  -1.447  -1.853  -5.461
  234    HA   CYS  35           HA       CYS  35  -1.577  -3.055  -8.084
  235    HB2  CYS  35           HB2      CYS  35  -2.051  -4.395  -5.419
  236    HB3  CYS  35           HB3      CYS  35  -1.605  -5.162  -6.940
  237    H    ARG  36           H        ARG  36  -3.340  -4.285  -8.883
  238    HA   ARG  36           HA       ARG  36  -5.938  -3.318  -7.914
  239    HB2  ARG  36           HB2      ARG  36  -6.781  -3.966 -10.156
  240    HB3  ARG  36           HB3      ARG  36  -5.505  -2.758 -10.223
  241    HG2  ARG  36           HG2      ARG  36  -3.946  -4.270 -11.056
  242    HG3  ARG  36           HG3      ARG  36  -4.885  -5.669 -10.533
  243    HD2  ARG  36           HD2      ARG  36  -5.956  -3.754 -12.576
  244    HD3  ARG  36           HD3      ARG  36  -4.865  -5.060 -13.036
  245    HE   ARG  36           HE       ARG  36  -7.628  -5.292 -12.302
  246   HH11  ARG  36          HH11      ARG  36  -4.566  -6.943 -12.434
  247   HH12  ARG  36          HH12      ARG  36  -5.274  -8.524 -12.494
  248   HH21  ARG  36          HH21      ARG  36  -8.571  -7.368 -12.380
  249   HH22  ARG  36          HH22      ARG  36  -7.551  -8.764 -12.464
  Start of MODEL    5
    1    H    MET   1           H        MET   1   2.194   0.230   0.903
    2    HA   MET   1           HA       MET   1   1.474  -0.209  -1.911
    3    HB2  MET   1           HB2      MET   1   3.303   1.305  -2.599
    4    HB3  MET   1           HB3      MET   1   2.033   2.142  -1.717
    5    HG2  MET   1           HG2      MET   1   3.792   3.044  -0.646
    6    HG3  MET   1           HG3      MET   1   3.654   1.578   0.323
    7    HE1  MET   1           HE1      MET   1   6.658   2.972   0.405
    8    HE2  MET   1           HE2      MET   1   7.361   3.054  -1.210
    9    HE3  MET   1           HE3      MET   1   5.830   3.863  -0.871
   10    H    CYS   2           H        CYS   2   2.732  -1.649  -2.998
   11    HA   CYS   2           HA       CYS   2   4.422  -3.362  -1.450
   12    HB2  CYS   2           HB2      CYS   2   2.917  -4.092  -3.350
   13    HB3  CYS   2           HB3      CYS   2   4.086  -3.371  -4.451
   14    H    MET   3           H        MET   3   4.922  -0.838  -3.841
   15    HA   MET   3           HA       MET   3   7.643  -0.498  -3.004
   16    HB2  MET   3           HB2      MET   3   8.775  -1.073  -4.986
   17    HB3  MET   3           HB3      MET   3   7.683  -2.418  -4.689
   18    HG2  MET   3           HG2      MET   3   6.123  -1.531  -6.332
   19    HG3  MET   3           HG3      MET   3   7.190  -0.157  -6.613
   20    HE1  MET   3           HE1      MET   3  10.198  -1.458  -8.327
   21    HE2  MET   3           HE2      MET   3   9.668  -0.556  -6.908
   22    HE3  MET   3           HE3      MET   3  10.259  -2.209  -6.733
   23    HA   PRO   4           HA       PRO   4   6.840   3.621  -4.288
   24    HB2  PRO   4           HB2      PRO   4   9.344   4.493  -4.871
   25    HB3  PRO   4           HB3      PRO   4   8.786   4.209  -3.218
   26    HG2  PRO   4           HG2      PRO   4  10.444   2.452  -4.985
   27    HG3  PRO   4           HG3      PRO   4  10.647   2.816  -3.262
   28    HD2  PRO   4           HD2      PRO   4   9.514   0.519  -4.141
   29    HD3  PRO   4           HD3      PRO   4   9.033   1.300  -2.622
   30    H    CYS   5           H        CYS   5   6.010   4.390  -6.119
   31    HA   CYS   5           HA       CYS   5   7.110   3.445  -8.675
   32    HB2  CYS   5           HB2      CYS   5   4.534   3.374  -7.801
   33    HB3  CYS   5           HB3      CYS   5   4.542   4.898  -8.683
   34    H    PHE   6           H        PHE   6   6.823   5.067 -10.514
   35    HA   PHE   6           HA       PHE   6   7.180   7.840  -9.683
   36    HB2  PHE   6           HB2      PHE   6   9.251   6.234 -11.180
   37    HB3  PHE   6           HB3      PHE   6   9.215   7.994 -11.203
   38    HD1  PHE   6           HD1      PHE   6  10.044   9.260  -9.393
   39    HD2  PHE   6           HD2      PHE   6   9.622   5.041  -9.030
   40    HE1  PHE   6           HE1      PHE   6  11.338   9.315  -7.301
   41    HE2  PHE   6           HE2      PHE   6  10.915   5.088  -6.937
   42    HZ   PHE   6           HZ       PHE   6  11.775   7.227  -6.070
   43    H    THR   7           H        THR   7   6.287   9.241 -11.076
   44    HA   THR   7           HA       THR   7   4.848   8.221 -13.340
   45    HB   THR   7           HB       THR   7   4.137  10.581 -13.670
   46    HG1  THR   7           HG1      THR   7   5.370  11.277 -11.245
   47   HG21  THR   7          HG21      THR   7   2.625   9.512 -12.312
   48   HG22  THR   7          HG22      THR   7   3.174  10.783 -11.219
   49   HG23  THR   7          HG23      THR   7   3.828   9.153 -11.073
   50    H    THR   8           H        THR   8   7.755  10.131 -12.836
   51    HA   THR   8           HA       THR   8   8.103  10.850 -15.576
   52    HB   THR   8           HB       THR   8   9.130  12.135 -13.726
   53    HG1  THR   8           HG1      THR   8  10.158  12.521 -15.607
   54   HG21  THR   8          HG21      THR   8   9.755  10.112 -12.372
   55   HG22  THR   8          HG22      THR   8  11.032  11.320 -12.529
   56   HG23  THR   8          HG23      THR   8  11.084   9.849 -13.500
   57    H    ASP   9           H        ASP   9   8.825   8.050 -13.700
   58    HA   ASP   9           HA       ASP   9  10.769   7.036 -15.609
   59    HB2  ASP   9           HB2      ASP   9   9.603   5.811 -13.101
   60    HB3  ASP   9           HB3      ASP   9  10.851   5.062 -14.094
   61    H    HIS  10           H        HIS  10  10.346   5.640 -17.208
   62    HA   HIS  10           HA       HIS  10   7.573   4.817 -17.598
   63    HB2  HIS  10           HB2      HIS  10   9.975   4.849 -19.429
   64    HB3  HIS  10           HB3      HIS  10   8.430   4.137 -19.886
   65    HD1  HIS  10           HD1      HIS  10   7.477   5.726 -21.533
   66    HD2  HIS  10           HD2      HIS  10   9.030   7.675 -18.210
   67    HE1  HIS  10           HE1      HIS  10   6.887   8.152 -21.840
   68    H    GLN  11           H        GLN  11  10.779   3.468 -17.126
   69    HA   GLN  11           HA       GLN  11   9.907   0.752 -17.548
   70    HB2  GLN  11           HB2      GLN  11  12.195   0.155 -16.841
   71    HB3  GLN  11           HB3      GLN  11  12.185   1.358 -18.124
   72    HG2  GLN  11           HG2      GLN  11  12.942   3.033 -16.750
   73    HG3  GLN  11           HG3      GLN  11  12.332   2.257 -15.289
   74   HE21  GLN  11          HE21      GLN  11  14.808   3.228 -15.192
   75   HE22  GLN  11          HE22      GLN  11  15.982   1.963 -15.226
   76    H    MET  12           H        MET  12   9.842   2.963 -14.979
   77    HA   MET  12           HA       MET  12  10.215   1.289 -12.759
   78    HB2  MET  12           HB2      MET  12  10.174   3.716 -12.559
   79    HB3  MET  12           HB3      MET  12   8.484   3.752 -13.046
   80    HG2  MET  12           HG2      MET  12   8.479   4.006 -10.718
   81    HG3  MET  12           HG3      MET  12   8.002   2.336 -11.014
   82    HE1  MET  12           HE1      MET  12   8.319   1.116  -9.338
   83    HE2  MET  12           HE2      MET  12   9.743   0.149  -9.715
   84    HE3  MET  12           HE3      MET  12   9.653   1.026  -8.188
   85    H    ALA  13           H        ALA  13   7.325   2.055 -14.650
   86    HA   ALA  13           HA       ALA  13   5.376   0.862 -13.099
   87    HB1  ALA  13           HB1      ALA  13   4.724   0.257 -15.768
   88    HB2  ALA  13           HB2      ALA  13   4.169   1.622 -14.796
   89    HB3  ALA  13           HB3      ALA  13   5.614   1.781 -15.796
   90    H    ARG  14           H        ARG  14   7.692  -0.630 -15.285
   91    HA   ARG  14           HA       ARG  14   6.626  -3.163 -15.552
   92    HB2  ARG  14           HB2      ARG  14   8.972  -1.964 -16.278
   93    HB3  ARG  14           HB3      ARG  14   9.529  -3.120 -15.076
   94    HG2  ARG  14           HG2      ARG  14   7.906  -4.697 -16.536
   95    HG3  ARG  14           HG3      ARG  14   8.447  -3.562 -17.774
   96    HD2  ARG  14           HD2      ARG  14  10.577  -4.541 -16.018
   97    HD3  ARG  14           HD3      ARG  14   9.801  -5.798 -16.981
   98    HE   ARG  14           HE       ARG  14  11.575  -3.776 -17.918
   99   HH11  ARG  14          HH11      ARG  14   8.816  -5.704 -18.809
  100   HH12  ARG  14          HH12      ARG  14   9.151  -5.632 -20.508
  101   HH21  ARG  14          HH21      ARG  14  12.026  -3.674 -20.152
  102   HH22  ARG  14          HH22      ARG  14  10.977  -4.478 -21.270
  103    H    LYS  15           H        LYS  15   8.786  -1.980 -12.982
  104    HA   LYS  15           HA       LYS  15   8.765  -4.408 -11.512
  105    HB2  LYS  15           HB2      LYS  15   9.446  -1.584 -10.675
  106    HB3  LYS  15           HB3      LYS  15   9.708  -3.004  -9.670
  107    HG2  LYS  15           HG2      LYS  15  11.405  -3.811 -11.024
  108    HG3  LYS  15           HG3      LYS  15  10.888  -2.850 -12.412
  109    HD2  LYS  15           HD2      LYS  15  11.835  -1.504  -9.911
  110    HD3  LYS  15           HD3      LYS  15  13.000  -2.137 -11.077
  111    HE2  LYS  15           HE2      LYS  15  11.271  -0.787 -12.695
  112    HE3  LYS  15           HE3      LYS  15  11.241   0.206 -11.238
  113    HZ1  LYS  15           HZ1      LYS  15  13.744  -0.643 -12.582
  114    HZ2  LYS  15           HZ2      LYS  15  13.575   0.505 -11.352
  115    HZ3  LYS  15           HZ3      LYS  15  12.971   0.828 -12.898
  116    H    CYS  16           H        CYS  16   6.905  -1.408 -11.287
  117    HA   CYS  16           HA       CYS  16   5.561  -1.798  -8.918
  118    HB2  CYS  16           HB2      CYS  16   5.236   0.262 -10.035
  119    HB3  CYS  16           HB3      CYS  16   4.684  -0.531 -11.507
  120    H    ASP  17           H        ASP  17   4.952  -3.267 -12.050
  121    HA   ASP  17           HA       ASP  17   2.503  -4.526 -11.225
  122    HB2  ASP  17           HB2      ASP  17   4.206  -5.239 -13.616
  123    HB3  ASP  17           HB3      ASP  17   2.485  -5.546 -13.392
  124    H    ASP  18           H        ASP  18   5.886  -5.440 -11.477
  125    HA   ASP  18           HA       ASP  18   5.563  -8.214 -11.096
  126    HB2  ASP  18           HB2      ASP  18   7.654  -6.882 -11.843
  127    HB3  ASP  18           HB3      ASP  18   7.964  -6.690 -10.119
  128    H    CYS  19           H        CYS  19   6.297  -5.612  -8.782
  129    HA   CYS  19           HA       CYS  19   6.486  -7.133  -6.475
  130    HB2  CYS  19           HB2      CYS  19   6.813  -4.564  -6.900
  131    HB3  CYS  19           HB3      CYS  19   5.130  -4.463  -6.395
  132    H    CYS  20           H        CYS  20   3.637  -5.998  -8.181
  133    HA   CYS  20           HA       CYS  20   1.772  -6.687  -6.139
  134    HB2  CYS  20           HB2      CYS  20   1.416  -6.202  -9.102
  135    HB3  CYS  20           HB3      CYS  20   0.083  -6.454  -7.981
  136    H    GLY  21           H        GLY  21   3.331  -8.426  -8.711
  137    HA2  GLY  21           HA2      GLY  21   2.902 -10.953  -7.763
  138    HA3  GLY  21           HA3      GLY  21   1.480 -10.623  -8.740
  139    H    GLY  22           H        GLY  22   1.960  -9.808 -11.000
  140    HA2  GLY  22           HA2      GLY  22   4.506 -10.734 -12.082
  141    HA3  GLY  22           HA3      GLY  22   3.070 -11.593 -12.620
  142    H    LYS  23           H        LYS  23   4.530 -10.457 -14.534
  143    HA   LYS  23           HA       LYS  23   4.158  -7.805 -15.195
  144    HB2  LYS  23           HB2      LYS  23   5.604  -9.332 -16.458
  145    HB3  LYS  23           HB3      LYS  23   4.189 -10.179 -17.068
  146    HG2  LYS  23           HG2      LYS  23   4.825  -8.779 -18.816
  147    HG3  LYS  23           HG3      LYS  23   3.482  -7.928 -18.047
  148    HD2  LYS  23           HD2      LYS  23   6.231  -7.337 -17.087
  149    HD3  LYS  23           HD3      LYS  23   5.759  -6.708 -18.667
  150    HE2  LYS  23           HE2      LYS  23   3.590  -6.024 -17.243
  151    HE3  LYS  23           HE3      LYS  23   4.803  -5.984 -15.963
  152    HZ1  LYS  23           HZ1      LYS  23   6.092  -4.638 -17.820
  153    HZ2  LYS  23           HZ2      LYS  23   5.031  -3.886 -16.739
  154    HZ3  LYS  23           HZ3      LYS  23   4.515  -4.267 -18.304
  155    H    GLY  24           H        GLY  24   2.382  -6.628 -15.447
  156    HA2  GLY  24           HA2      GLY  24   0.381  -6.145 -16.679
  157    HA3  GLY  24           HA3      GLY  24   0.043  -7.869 -16.731
  158    H    ARG  25           H        ARG  25   0.869  -7.936 -13.782
  159    HA   ARG  25           HA       ARG  25  -1.802  -7.342 -12.775
  160    HB2  ARG  25           HB2      ARG  25   0.428  -8.632 -11.218
  161    HB3  ARG  25           HB3      ARG  25  -1.306  -8.768 -10.960
  162    HG2  ARG  25           HG2      ARG  25  -1.173  -9.800 -13.414
  163    HG3  ARG  25           HG3      ARG  25   0.451 -10.203 -12.851
  164    HD2  ARG  25           HD2      ARG  25  -0.716 -11.114 -10.757
  165    HD3  ARG  25           HD3      ARG  25  -2.197 -11.037 -11.711
  166    HE   ARG  25           HE       ARG  25  -0.192 -12.411 -13.146
  167   HH11  ARG  25          HH11      ARG  25  -2.342 -12.783 -10.432
  168   HH12  ARG  25          HH12      ARG  25  -2.431 -14.507 -10.572
  169   HH21  ARG  25          HH21      ARG  25  -0.301 -14.681 -13.341
  170   HH22  ARG  25          HH22      ARG  25  -1.269 -15.586 -12.227
  171    H    GLY  26           H        GLY  26  -2.221  -5.488 -11.783
  172    HA2  GLY  26           HA2      GLY  26  -1.735  -4.078  -9.845
  173    HA3  GLY  26           HA3      GLY  26  -0.036  -4.184 -10.282
  174    H    LYS  27           H        LYS  27  -0.688  -1.738  -9.914
  175    HA   LYS  27           HA       LYS  27  -0.639  -0.554 -12.542
  176    HB2  LYS  27           HB2      LYS  27  -3.123  -0.798 -11.317
  177    HB3  LYS  27           HB3      LYS  27  -2.637   0.855 -10.963
  178    HG2  LYS  27           HG2      LYS  27  -2.456  -0.217 -13.748
  179    HG3  LYS  27           HG3      LYS  27  -3.989   0.372 -13.103
  180    HD2  LYS  27           HD2      LYS  27  -3.371   2.480 -13.458
  181    HD3  LYS  27           HD3      LYS  27  -1.909   2.247 -12.497
  182    HE2  LYS  27           HE2      LYS  27  -0.987   2.795 -14.520
  183    HE3  LYS  27           HE3      LYS  27  -1.066   1.041 -14.677
  184    HZ1  LYS  27           HZ1      LYS  27  -3.448   2.413 -15.548
  185    HZ2  LYS  27           HZ2      LYS  27  -2.569   1.184 -16.306
  186    HZ3  LYS  27           HZ3      LYS  27  -2.072   2.794 -16.456
  187    H    CYS  28           H        CYS  28   0.062   1.632 -12.532
  188    HA   CYS  28           HA       CYS  28   1.390   2.388 -10.022
  189    HB2  CYS  28           HB2      CYS  28   2.820   2.034 -12.033
  190    HB3  CYS  28           HB3      CYS  28   1.970   3.353 -12.830
  191    H    TYR  29           H        TYR  29   0.207   3.775  -8.876
  192    HA   TYR  29           HA       TYR  29  -1.048   6.029 -10.300
  193    HB2  TYR  29           HB2      TYR  29  -2.052   4.473  -7.918
  194    HB3  TYR  29           HB3      TYR  29  -2.699   6.047  -8.366
  195    HD1  TYR  29           HD1      TYR  29  -3.330   2.682  -8.579
  196    HD2  TYR  29           HD2      TYR  29  -3.222   6.136 -11.061
  197    HE1  TYR  29           HE1      TYR  29  -4.873   1.592 -10.154
  198    HE2  TYR  29           HE2      TYR  29  -4.765   5.055 -12.642
  199    HH   TYR  29           HH       TYR  29  -5.275   2.110 -12.992
  200    H    GLY  30           H        GLY  30   0.298   7.696  -9.965
  201    HA2  GLY  30           HA2      GLY  30   1.215   9.450  -8.768
  202    HA3  GLY  30           HA3      GLY  30   0.606   8.713  -7.294
  203    HA   PRO  31           HA       PRO  31   5.188   8.356  -7.128
  204    HB2  PRO  31           HB2      PRO  31   5.342   8.838  -4.462
  205    HB3  PRO  31           HB3      PRO  31   5.287  10.128  -5.669
  206    HG2  PRO  31           HG2      PRO  31   3.080   9.025  -3.974
  207    HG3  PRO  31           HG3      PRO  31   3.452  10.713  -4.366
  208    HD2  PRO  31           HD2      PRO  31   1.499   9.322  -5.625
  209    HD3  PRO  31           HD3      PRO  31   2.446  10.585  -6.437
  210    H    GLN  32           H        GLN  32   2.548   6.835  -5.479
  211    HA   GLN  32           HA       GLN  32   4.308   4.621  -4.660
  212    HB2  GLN  32           HB2      GLN  32   1.567   5.367  -3.622
  213    HB3  GLN  32           HB3      GLN  32   2.524   3.994  -3.077
  214    HG2  GLN  32           HG2      GLN  32   4.132   5.379  -2.069
  215    HG3  GLN  32           HG3      GLN  32   3.531   6.814  -2.900
  216   HE21  GLN  32          HE21      GLN  32   3.914   6.175  -0.024
  217   HE22  GLN  32          HE22      GLN  32   2.385   6.492   0.714
  218    H    CYS  33           H        CYS  33   3.808   2.525  -5.232
  219    HA   CYS  33           HA       CYS  33   2.123   2.254  -7.574
  220    HB2  CYS  33           HB2      CYS  33   4.251   1.160  -7.684
  221    HB3  CYS  33           HB3      CYS  33   3.978   0.346  -6.146
  222    H    LEU  34           H        LEU  34   0.086   1.582  -7.539
  223    HA   LEU  34           HA       LEU  34  -0.871   0.134  -5.158
  224    HB2  LEU  34           HB2      LEU  34  -2.661   1.718  -6.960
  225    HB3  LEU  34           HB3      LEU  34  -2.926   1.221  -5.290
  226    HG   LEU  34           HG       LEU  34  -0.983   3.349  -6.186
  227   HD11  LEU  34          HD11      LEU  34  -2.523   4.961  -5.523
  228   HD12  LEU  34          HD12      LEU  34  -3.510   3.796  -4.641
  229   HD13  LEU  34          HD13      LEU  34  -3.504   3.790  -6.404
  230   HD21  LEU  34          HD21      LEU  34  -1.156   1.850  -3.787
  231   HD22  LEU  34          HD22      LEU  34  -1.694   3.493  -3.439
  232   HD23  LEU  34          HD23      LEU  34  -0.106   3.218  -4.155
  233    H    CYS  35           H        CYS  35  -1.303  -1.923  -5.557
  234    HA   CYS  35           HA       CYS  35  -1.546  -2.969  -8.194
  235    HB2  CYS  35           HB2      CYS  35  -2.296  -4.374  -5.628
  236    HB3  CYS  35           HB3      CYS  35  -1.802  -5.108  -7.150
  237    H    ARG  36           H        ARG  36  -3.284  -2.963  -9.442
  238    HA   ARG  36           HA       ARG  36  -5.869  -2.258  -8.374
  239    HB2  ARG  36           HB2      ARG  36  -6.597  -2.117 -10.641
  240    HB3  ARG  36           HB3      ARG  36  -4.977  -1.435 -10.579
  241    HG2  ARG  36           HG2      ARG  36  -4.103  -3.632 -11.376
  242    HG3  ARG  36           HG3      ARG  36  -5.776  -4.147 -11.604
  243    HD2  ARG  36           HD2      ARG  36  -6.141  -2.331 -13.178
  244    HD3  ARG  36           HD3      ARG  36  -4.498  -1.748 -12.912
  245    HE   ARG  36           HE       ARG  36  -4.136  -4.305 -13.734
  246   HH11  ARG  36          HH11      ARG  36  -5.896  -1.591 -15.020
  247   HH12  ARG  36          HH12      ARG  36  -5.697  -2.077 -16.670
  248   HH21  ARG  36          HH21      ARG  36  -3.868  -4.956 -15.903
  249   HH22  ARG  36          HH22      ARG  36  -4.545  -3.992 -17.171
  Start of MODEL    6
    1    H    MET   1           H        MET   1   2.117   0.084   0.833
    2    HA   MET   1           HA       MET   1   1.390  -0.238  -1.961
    3    HB2  MET   1           HB2      MET   1   3.168   1.300  -2.735
    4    HB3  MET   1           HB3      MET   1   1.881   2.132  -1.872
    5    HG2  MET   1           HG2      MET   1   3.628   3.131  -0.864
    6    HG3  MET   1           HG3      MET   1   3.536   1.706   0.170
    7    HE1  MET   1           HE1      MET   1   6.844   3.501  -1.647
    8    HE2  MET   1           HE2      MET   1   5.574   3.863  -0.479
    9    HE3  MET   1           HE3      MET   1   6.970   2.901   0.007
   10    H    CYS   2           H        CYS   2   2.678  -1.672  -3.025
   11    HA   CYS   2           HA       CYS   2   4.416  -3.304  -1.457
   12    HB2  CYS   2           HB2      CYS   2   2.954  -4.115  -3.343
   13    HB3  CYS   2           HB3      CYS   2   4.079  -3.349  -4.459
   14    H    MET   3           H        MET   3   4.871  -0.827  -3.916
   15    HA   MET   3           HA       MET   3   7.573  -0.387  -3.049
   16    HB2  MET   3           HB2      MET   3   8.745  -0.986  -4.992
   17    HB3  MET   3           HB3      MET   3   7.662  -2.341  -4.707
   18    HG2  MET   3           HG2      MET   3   6.126  -1.485  -6.390
   19    HG3  MET   3           HG3      MET   3   7.187  -0.104  -6.663
   20    HE1  MET   3           HE1      MET   3  10.229  -1.359  -8.299
   21    HE2  MET   3           HE2      MET   3   9.677  -0.508  -6.856
   22    HE3  MET   3           HE3      MET   3  10.288  -2.158  -6.728
   23    HA   PRO   4           HA       PRO   4   6.676   3.682  -4.428
   24    HB2  PRO   4           HB2      PRO   4   9.160   4.604  -5.020
   25    HB3  PRO   4           HB3      PRO   4   8.602   4.342  -3.363
   26    HG2  PRO   4           HG2      PRO   4  10.311   2.589  -5.087
   27    HG3  PRO   4           HG3      PRO   4  10.498   2.995  -3.372
   28    HD2  PRO   4           HD2      PRO   4   9.427   0.652  -4.205
   29    HD3  PRO   4           HD3      PRO   4   8.920   1.453  -2.705
   30    H    CYS   5           H        CYS   5   5.834   4.391  -6.277
   31    HA   CYS   5           HA       CYS   5   6.954   3.408  -8.808
   32    HB2  CYS   5           HB2      CYS   5   4.395   3.282  -7.965
   33    HB3  CYS   5           HB3      CYS   5   4.357   4.835  -8.793
   34    H    PHE   6           H        PHE   6   6.698   4.972 -10.683
   35    HA   PHE   6           HA       PHE   6   6.996   7.773  -9.928
   36    HB2  PHE   6           HB2      PHE   6   9.127   6.141 -11.300
   37    HB3  PHE   6           HB3      PHE   6   9.059   7.895 -11.434
   38    HD1  PHE   6           HD1      PHE   6   9.850   9.282  -9.705
   39    HD2  PHE   6           HD2      PHE   6   9.444   5.095  -9.057
   40    HE1  PHE   6           HE1      PHE   6  11.093   9.492  -7.592
   41    HE2  PHE   6           HE2      PHE   6  10.685   5.299  -6.943
   42    HZ   PHE   6           HZ       PHE   6  11.511   7.500  -6.207
   43    H    THR   7           H        THR   7   5.764   8.934 -11.235
   44    HA   THR   7           HA       THR   7   4.543   7.864 -13.555
   45    HB   THR   7           HB       THR   7   3.643  10.124 -13.917
   46    HG1  THR   7           HG1      THR   7   4.703  11.778 -13.150
   47   HG21  THR   7          HG21      THR   7   2.992   8.444 -11.923
   48   HG22  THR   7          HG22      THR   7   2.162   9.974 -12.204
   49   HG23  THR   7          HG23      THR   7   3.426   9.868 -10.979
   50    H    THR   8           H        THR   8   7.316   9.964 -13.036
   51    HA   THR   8           HA       THR   8   7.667  10.647 -15.785
   52    HB   THR   8           HB       THR   8   8.575  12.079 -14.025
   53    HG1  THR   8           HG1      THR   8  10.790  12.156 -14.911
   54   HG21  THR   8          HG21      THR   8   9.341   9.775 -12.783
   55   HG22  THR   8          HG22      THR   8   9.926  11.386 -12.362
   56   HG23  THR   8          HG23      THR   8  10.875  10.355 -13.432
   57    H    ASP   9           H        ASP   9   8.539   7.945 -13.830
   58    HA   ASP   9           HA       ASP   9  10.598   7.026 -15.661
   59    HB2  ASP   9           HB2      ASP   9   9.416   5.674 -13.226
   60    HB3  ASP   9           HB3      ASP   9  10.837   5.136 -14.119
   61    H    HIS  10           H        HIS  10  10.329   5.568 -17.241
   62    HA   HIS  10           HA       HIS  10   7.625   4.581 -17.730
   63    HB2  HIS  10           HB2      HIS  10  10.094   4.824 -19.433
   64    HB3  HIS  10           HB3      HIS  10   8.724   3.843 -19.947
   65    HD1  HIS  10           HD1      HIS  10   6.436   5.159 -20.314
   66    HD2  HIS  10           HD2      HIS  10   9.823   7.520 -19.851
   67    HE1  HIS  10           HE1      HIS  10   5.783   7.441 -21.144
   68    H    GLN  11           H        GLN  11  10.885   3.418 -17.118
   69    HA   GLN  11           HA       GLN  11  10.164   0.651 -17.489
   70    HB2  GLN  11           HB2      GLN  11  12.471   0.216 -16.637
   71    HB3  GLN  11           HB3      GLN  11  12.414   1.280 -18.036
   72    HG2  GLN  11           HG2      GLN  11  13.002   3.144 -16.811
   73    HG3  GLN  11           HG3      GLN  11  12.477   2.435 -15.285
   74   HE21  GLN  11          HE21      GLN  11  15.080   3.018 -17.352
   75   HE22  GLN  11          HE22      GLN  11  16.272   2.088 -16.517
   76    H    MET  12           H        MET  12   9.919   2.921 -14.984
   77    HA   MET  12           HA       MET  12  10.297   1.279 -12.724
   78    HB2  MET  12           HB2      MET  12  10.244   3.716 -12.568
   79    HB3  MET  12           HB3      MET  12   8.557   3.729 -13.064
   80    HG2  MET  12           HG2      MET  12   8.496   4.007 -10.754
   81    HG3  MET  12           HG3      MET  12   8.107   2.307 -11.008
   82    HE1  MET  12           HE1      MET  12   9.991   1.034  -8.201
   83    HE2  MET  12           HE2      MET  12   8.474   1.284  -9.066
   84    HE3  MET  12           HE3      MET  12   9.734   0.267  -9.769
   85    H    ALA  13           H        ALA  13   7.429   2.036 -14.657
   86    HA   ALA  13           HA       ALA  13   5.461   0.851 -13.131
   87    HB1  ALA  13           HB1      ALA  13   5.736   0.990 -16.127
   88    HB2  ALA  13           HB2      ALA  13   4.272   0.459 -15.298
   89    HB3  ALA  13           HB3      ALA  13   4.867   2.104 -15.072
   90    H    ARG  14           H        ARG  14   7.820  -0.662 -15.252
   91    HA   ARG  14           HA       ARG  14   6.765  -3.197 -15.523
   92    HB2  ARG  14           HB2      ARG  14   8.993  -2.127 -16.406
   93    HB3  ARG  14           HB3      ARG  14   9.688  -2.870 -14.971
   94    HG2  ARG  14           HG2      ARG  14  10.030  -4.480 -16.583
   95    HG3  ARG  14           HG3      ARG  14   8.534  -5.024 -15.821
   96    HD2  ARG  14           HD2      ARG  14   8.165  -5.202 -18.141
   97    HD3  ARG  14           HD3      ARG  14   7.311  -3.745 -17.636
   98    HE   ARG  14           HE       ARG  14   9.915  -3.076 -18.481
   99   HH11  ARG  14          HH11      ARG  14   6.845  -4.133 -19.738
  100   HH12  ARG  14          HH12      ARG  14   7.076  -3.389 -21.286
  101   HH21  ARG  14          HH21      ARG  14  10.231  -2.094 -20.516
  102   HH22  ARG  14          HH22      ARG  14   9.003  -2.231 -21.728
  103    H    LYS  15           H        LYS  15   8.942  -2.058 -12.941
  104    HA   LYS  15           HA       LYS  15   8.851  -4.450 -11.443
  105    HB2  LYS  15           HB2      LYS  15   9.473  -1.627 -10.555
  106    HB3  LYS  15           HB3      LYS  15   9.778  -3.072  -9.600
  107    HG2  LYS  15           HG2      LYS  15  11.489  -3.788 -10.998
  108    HG3  LYS  15           HG3      LYS  15  10.954  -2.767 -12.334
  109    HD2  LYS  15           HD2      LYS  15  11.826  -1.491  -9.781
  110    HD3  LYS  15           HD3      LYS  15  13.046  -2.102 -10.902
  111    HE2  LYS  15           HE2      LYS  15  11.362  -0.733 -12.566
  112    HE3  LYS  15           HE3      LYS  15  11.305   0.244 -11.100
  113    HZ1  LYS  15           HZ1      LYS  15  13.158   1.153 -11.920
  114    HZ2  LYS  15           HZ2      LYS  15  13.463  -0.132 -12.977
  115    HZ3  LYS  15           HZ3      LYS  15  13.936  -0.240 -11.356
  116    H    CYS  16           H        CYS  16   6.984  -1.449 -11.268
  117    HA   CYS  16           HA       CYS  16   5.579  -1.840  -8.935
  118    HB2  CYS  16           HB2      CYS  16   5.259   0.218 -10.034
  119    HB3  CYS  16           HB3      CYS  16   4.797  -0.560 -11.544
  120    H    ASP  17           H        ASP  17   5.056  -3.317 -12.080
  121    HA   ASP  17           HA       ASP  17   2.580  -4.566 -11.337
  122    HB2  ASP  17           HB2      ASP  17   4.358  -5.364 -13.638
  123    HB3  ASP  17           HB3      ASP  17   2.616  -5.573 -13.491
  124    H    ASP  18           H        ASP  18   5.965  -5.521 -11.491
  125    HA   ASP  18           HA       ASP  18   5.587  -8.280 -11.043
  126    HB2  ASP  18           HB2      ASP  18   7.702  -7.148 -11.855
  127    HB3  ASP  18           HB3      ASP  18   7.992  -6.666 -10.186
  128    H    CYS  19           H        CYS  19   6.329  -5.621  -8.799
  129    HA   CYS  19           HA       CYS  19   6.494  -7.069  -6.447
  130    HB2  CYS  19           HB2      CYS  19   6.800  -4.501  -6.968
  131    HB3  CYS  19           HB3      CYS  19   5.127  -4.409  -6.428
  132    H    CYS  20           H        CYS  20   3.656  -5.967  -8.198
  133    HA   CYS  20           HA       CYS  20   1.784  -6.629  -6.148
  134    HB2  CYS  20           HB2      CYS  20   1.429  -6.146  -9.111
  135    HB3  CYS  20           HB3      CYS  20   0.096  -6.385  -7.986
  136    H    GLY  21           H        GLY  21   3.332  -8.378  -8.720
  137    HA2  GLY  21           HA2      GLY  21   2.890 -10.902  -7.773
  138    HA3  GLY  21           HA3      GLY  21   1.468 -10.563  -8.749
  139    H    GLY  22           H        GLY  22   1.944  -9.765 -11.010
  140    HA2  GLY  22           HA2      GLY  22   4.486 -10.695 -12.094
  141    HA3  GLY  22           HA3      GLY  22   3.049 -11.555 -12.626
  142    H    LYS  23           H        LYS  23   4.492 -10.435 -14.554
  143    HA   LYS  23           HA       LYS  23   4.127  -7.783 -15.224
  144    HB2  LYS  23           HB2      LYS  23   5.544  -9.394 -16.473
  145    HB3  LYS  23           HB3      LYS  23   4.089 -10.129 -17.132
  146    HG2  LYS  23           HG2      LYS  23   3.592  -8.262 -18.440
  147    HG3  LYS  23           HG3      LYS  23   4.672  -7.215 -17.514
  148    HD2  LYS  23           HD2      LYS  23   6.606  -8.303 -18.419
  149    HD3  LYS  23           HD3      LYS  23   5.610  -9.539 -19.189
  150    HE2  LYS  23           HE2      LYS  23   6.433  -7.779 -20.746
  151    HE3  LYS  23           HE3      LYS  23   4.677  -7.938 -20.703
  152    HZ1  LYS  23           HZ1      LYS  23   4.482  -5.991 -19.417
  153    HZ2  LYS  23           HZ2      LYS  23   5.569  -5.608 -20.655
  154    HZ3  LYS  23           HZ3      LYS  23   6.141  -5.925 -19.096
  155    H    GLY  24           H        GLY  24   2.355  -6.601 -15.469
  156    HA2  GLY  24           HA2      GLY  24   0.347  -6.116 -16.691
  157    HA3  GLY  24           HA3      GLY  24   0.001  -7.838 -16.730
  158    H    ARG  25           H        ARG  25   0.848  -7.892 -13.787
  159    HA   ARG  25           HA       ARG  25  -1.811  -7.271 -12.764
  160    HB2  ARG  25           HB2      ARG  25   0.413  -8.581 -11.216
  161    HB3  ARG  25           HB3      ARG  25  -1.321  -8.700 -10.951
  162    HG2  ARG  25           HG2      ARG  25  -1.198  -9.736 -13.411
  163    HG3  ARG  25           HG3      ARG  25   0.417 -10.159 -12.837
  164    HD2  ARG  25           HD2      ARG  25  -0.403 -11.488 -11.121
  165    HD3  ARG  25           HD3      ARG  25  -1.980 -10.700 -11.133
  166    HE   ARG  25           HE       ARG  25  -1.498 -12.044 -13.584
  167   HH11  ARG  25          HH11      ARG  25  -2.348 -12.595 -10.252
  168   HH12  ARG  25          HH12      ARG  25  -3.207 -14.064 -10.579
  169   HH21  ARG  25          HH21      ARG  25  -2.627 -13.976 -14.026
  170   HH22  ARG  25          HH22      ARG  25  -3.365 -14.848 -12.726
  171    H    GLY  26           H        GLY  26  -2.201  -5.406 -11.781
  172    HA2  GLY  26           HA2      GLY  26  -1.691  -3.993  -9.851
  173    HA3  GLY  26           HA3      GLY  26   0.005  -4.128 -10.288
  174    H    LYS  27           H        LYS  27  -0.972  -1.660  -9.865
  175    HA   LYS  27           HA       LYS  27  -0.829  -0.494 -12.538
  176    HB2  LYS  27           HB2      LYS  27  -3.069  -0.078 -10.581
  177    HB3  LYS  27           HB3      LYS  27  -2.634   1.189 -11.720
  178    HG2  LYS  27           HG2      LYS  27  -3.341  -0.017 -13.544
  179    HG3  LYS  27           HG3      LYS  27  -3.141  -1.570 -12.729
  180    HD2  LYS  27           HD2      LYS  27  -5.122  -1.303 -11.497
  181    HD3  LYS  27           HD3      LYS  27  -5.197   0.429 -11.834
  182    HE2  LYS  27           HE2      LYS  27  -5.546  -1.773 -13.868
  183    HE3  LYS  27           HE3      LYS  27  -6.853  -0.850 -13.128
  184    HZ1  LYS  27           HZ1      LYS  27  -5.266   1.094 -14.081
  185    HZ2  LYS  27           HZ2      LYS  27  -6.603   0.463 -14.903
  186    HZ3  LYS  27           HZ3      LYS  27  -5.049  -0.106 -15.255
  187    H    CYS  28           H        CYS  28  -0.248   1.783 -12.518
  188    HA   CYS  28           HA       CYS  28   1.269   2.487 -10.095
  189    HB2  CYS  28           HB2      CYS  28   2.597   2.104 -12.175
  190    HB3  CYS  28           HB3      CYS  28   1.739   3.446 -12.924
  191    H    TYR  29           H        TYR  29   0.159   3.896  -8.905
  192    HA   TYR  29           HA       TYR  29  -1.011   6.230 -10.261
  193    HB2  TYR  29           HB2      TYR  29  -2.230   4.670  -7.974
  194    HB3  TYR  29           HB3      TYR  29  -2.841   6.207  -8.575
  195    HD1  TYR  29           HD1      TYR  29  -3.460   2.847  -8.639
  196    HD2  TYR  29           HD2      TYR  29  -3.050   6.120 -11.327
  197    HE1  TYR  29           HE1      TYR  29  -4.824   1.648 -10.297
  198    HE2  TYR  29           HE2      TYR  29  -4.415   4.930 -12.993
  199    HH   TYR  29           HH       TYR  29  -6.249   2.191 -12.247
  200    H    GLY  30           H        GLY  30   0.248   7.886  -9.698
  201    HA2  GLY  30           HA2      GLY  30   1.053   9.532  -8.272
  202    HA3  GLY  30           HA3      GLY  30   0.520   8.565  -6.903
  203    HA   PRO  31           HA       PRO  31   5.137   8.448  -6.965
  204    HB2  PRO  31           HB2      PRO  31   5.402   8.758  -4.281
  205    HB3  PRO  31           HB3      PRO  31   5.245  10.122  -5.394
  206    HG2  PRO  31           HG2      PRO  31   3.161   8.827  -3.679
  207    HG3  PRO  31           HG3      PRO  31   3.455  10.551  -3.973
  208    HD2  PRO  31           HD2      PRO  31   1.493   9.172  -5.232
  209    HD3  PRO  31           HD3      PRO  31   2.355  10.522  -5.999
  210    H    GLN  32           H        GLN  32   2.627   6.708  -5.344
  211    HA   GLN  32           HA       GLN  32   4.501   4.508  -4.774
  212    HB2  GLN  32           HB2      GLN  32   1.844   5.143  -3.481
  213    HB3  GLN  32           HB3      GLN  32   2.815   3.719  -3.131
  214    HG2  GLN  32           HG2      GLN  32   4.581   5.073  -2.236
  215    HG3  GLN  32           HG3      GLN  32   3.750   6.550  -2.724
  216   HE21  GLN  32          HE21      GLN  32   3.994   7.122  -0.463
  217   HE22  GLN  32          HE22      GLN  32   2.831   6.555   0.681
  218    H    CYS  33           H        CYS  33   3.895   2.389  -5.315
  219    HA   CYS  33           HA       CYS  33   2.161   2.232  -7.631
  220    HB2  CYS  33           HB2      CYS  33   4.246   1.073  -7.817
  221    HB3  CYS  33           HB3      CYS  33   3.987   0.237  -6.290
  222    H    LEU  34           H        LEU  34   0.128   1.536  -7.623
  223    HA   LEU  34           HA       LEU  34  -0.864   0.175  -5.205
  224    HB2  LEU  34           HB2      LEU  34  -2.582   1.686  -7.146
  225    HB3  LEU  34           HB3      LEU  34  -2.954   1.205  -5.492
  226    HG   LEU  34           HG       LEU  34  -1.044   3.379  -6.343
  227   HD11  LEU  34          HD11      LEU  34  -2.624   4.910  -5.489
  228   HD12  LEU  34          HD12      LEU  34  -3.593   3.624  -4.770
  229   HD13  LEU  34          HD13      LEU  34  -3.527   3.803  -6.524
  230   HD21  LEU  34          HD21      LEU  34  -1.654   3.466  -3.580
  231   HD22  LEU  34          HD22      LEU  34  -0.088   3.215  -4.350
  232   HD23  LEU  34          HD23      LEU  34  -1.111   1.832  -3.959
  233    H    CYS  35           H        CYS  35  -1.381  -1.884  -5.471
  234    HA   CYS  35           HA       CYS  35  -1.587  -3.042  -8.097
  235    HB2  CYS  35           HB2      CYS  35  -2.139  -4.393  -5.452
  236    HB3  CYS  35           HB3      CYS  35  -1.701  -5.157  -6.977
  237    H    ARG  36           H        ARG  36  -3.389  -4.195  -8.920
  238    HA   ARG  36           HA       ARG  36  -5.922  -2.962  -8.229
  239    HB2  ARG  36           HB2      ARG  36  -6.775  -4.044 -10.239
  240    HB3  ARG  36           HB3      ARG  36  -5.273  -3.197 -10.588
  241    HG2  ARG  36           HG2      ARG  36  -4.052  -5.294 -10.533
  242    HG3  ARG  36           HG3      ARG  36  -5.531  -6.160 -10.115
  243    HD2  ARG  36           HD2      ARG  36  -6.527  -5.566 -12.232
  244    HD3  ARG  36           HD3      ARG  36  -5.135  -4.564 -12.641
  245    HE   ARG  36           HE       ARG  36  -4.065  -7.026 -12.229
  246   HH11  ARG  36          HH11      ARG  36  -6.628  -5.796 -14.238
  247   HH12  ARG  36          HH12      ARG  36  -6.398  -6.982 -15.481
  248   HH21  ARG  36          HH21      ARG  36  -3.752  -8.591 -13.858
  249   HH22  ARG  36          HH22      ARG  36  -4.763  -8.571 -15.264
  Start of MODEL    7
    1    H    MET   1           H        MET   1   1.296   0.974   0.482
    2    HA   MET   1           HA       MET   1   1.311  -0.319  -1.942
    3    HB2  MET   1           HB2      MET   1   3.093   1.221  -2.617
    4    HB3  MET   1           HB3      MET   1   1.852   2.052  -1.687
    5    HG2  MET   1           HG2      MET   1   3.250   2.535   0.006
    6    HG3  MET   1           HG3      MET   1   4.121   1.009  -0.135
    7    HE1  MET   1           HE1      MET   1   7.123   2.314  -0.420
    8    HE2  MET   1           HE2      MET   1   6.492   3.928  -0.099
    9    HE3  MET   1           HE3      MET   1   5.795   2.531   0.720
   10    H    CYS   2           H        CYS   2   2.774  -1.582  -3.088
   11    HA   CYS   2           HA       CYS   2   4.405  -3.323  -1.458
   12    HB2  CYS   2           HB2      CYS   2   2.940  -4.125  -3.348
   13    HB3  CYS   2           HB3      CYS   2   4.074  -3.367  -4.461
   14    H    MET   3           H        MET   3   4.877  -0.838  -3.902
   15    HA   MET   3           HA       MET   3   7.580  -0.422  -3.036
   16    HB2  MET   3           HB2      MET   3   8.748  -1.017  -4.984
   17    HB3  MET   3           HB3      MET   3   7.661  -2.370  -4.699
   18    HG2  MET   3           HG2      MET   3   6.126  -1.508  -6.378
   19    HG3  MET   3           HG3      MET   3   7.187  -0.127  -6.649
   20    HE1  MET   3           HE1      MET   3   9.683  -0.590  -6.747
   21    HE2  MET   3           HE2      MET   3  10.323  -2.231  -6.834
   22    HE3  MET   3           HE3      MET   3  10.179  -1.262  -8.300
   23    HA   PRO   4           HA       PRO   4   6.709   3.658  -4.398
   24    HB2  PRO   4           HB2      PRO   4   9.199   4.568  -4.982
   25    HB3  PRO   4           HB3      PRO   4   8.638   4.301  -3.327
   26    HG2  PRO   4           HG2      PRO   4  10.338   2.547  -5.056
   27    HG3  PRO   4           HG3      PRO   4  10.526   2.944  -3.338
   28    HD2  PRO   4           HD2      PRO   4   9.441   0.611  -4.184
   29    HD3  PRO   4           HD3      PRO   4   8.937   1.409  -2.680
   30    H    CYS   5           H        CYS   5   5.875   4.382  -6.245
   31    HA   CYS   5           HA       CYS   5   6.994   3.404  -8.779
   32    HB2  CYS   5           HB2      CYS   5   4.429   3.296  -7.935
   33    HB3  CYS   5           HB3      CYS   5   4.407   4.844  -8.773
   34    H    PHE   6           H        PHE   6   6.731   4.983 -10.646
   35    HA   PHE   6           HA       PHE   6   7.053   7.776  -9.874
   36    HB2  PHE   6           HB2      PHE   6   9.163   6.142 -11.277
   37    HB3  PHE   6           HB3      PHE   6   9.109   7.898 -11.388
   38    HD1  PHE   6           HD1      PHE   6   9.918   9.258  -9.645
   39    HD2  PHE   6           HD2      PHE   6   9.491   5.066  -9.051
   40    HE1  PHE   6           HE1      PHE   6  11.177   9.432  -7.539
   41    HE2  PHE   6           HE2      PHE   6  10.748   5.233  -6.943
   42    HZ   PHE   6           HZ       PHE   6  11.592   7.418  -6.183
   43    H    THR   7           H        THR   7   5.770   8.920 -11.145
   44    HA   THR   7           HA       THR   7   4.549   7.884 -13.473
   45    HB   THR   7           HB       THR   7   3.515  10.024 -13.746
   46    HG1  THR   7           HG1      THR   7   5.644  10.947 -12.109
   47   HG21  THR   7          HG21      THR   7   3.164   8.558 -11.557
   48   HG22  THR   7          HG22      THR   7   2.333  10.096 -11.790
   49   HG23  THR   7          HG23      THR   7   3.780  10.018 -10.784
   50    H    THR   8           H        THR   8   7.333   9.968 -12.953
   51    HA   THR   8           HA       THR   8   7.662  10.685 -15.696
   52    HB   THR   8           HB       THR   8   8.582  12.037 -13.822
   53    HG1  THR   8           HG1      THR   8  10.352  12.624 -14.996
   54   HG21  THR   8          HG21      THR   8  10.075  11.257 -12.333
   55   HG22  THR   8          HG22      THR   8  11.000  10.405 -13.569
   56   HG23  THR   8          HG23      THR   8   9.559   9.662 -12.876
   57    H    ASP   9           H        ASP   9   8.542   7.957 -13.781
   58    HA   ASP   9           HA       ASP   9  10.577   7.052 -15.648
   59    HB2  ASP   9           HB2      ASP   9   9.430   5.684 -13.205
   60    HB3  ASP   9           HB3      ASP   9  10.835   5.148 -14.124
   61    H    HIS  10           H        HIS  10  10.288   5.599 -17.229
   62    HA   HIS  10           HA       HIS  10   7.574   4.625 -17.691
   63    HB2  HIS  10           HB2      HIS  10   9.030   5.804 -19.462
   64    HB3  HIS  10           HB3      HIS  10   9.901   4.277 -19.569
   65    HD1  HIS  10           HD1      HIS  10   9.024   2.714 -21.266
   66    HD2  HIS  10           HD2      HIS  10   6.106   5.366 -19.958
   67    HE1  HIS  10           HE1      HIS  10   6.988   2.211 -22.653
   68    H    GLN  11           H        GLN  11  10.837   3.448 -17.127
   69    HA   GLN  11           HA       GLN  11  10.102   0.685 -17.505
   70    HB2  GLN  11           HB2      GLN  11  12.415   0.231 -16.703
   71    HB3  GLN  11           HB3      GLN  11  12.351   1.332 -18.073
   72    HG2  GLN  11           HG2      GLN  11  12.873   3.190 -16.752
   73    HG3  GLN  11           HG3      GLN  11  12.509   2.334 -15.254
   74   HE21  GLN  11          HE21      GLN  11  14.754   2.505 -17.954
   75   HE22  GLN  11          HE22      GLN  11  16.111   1.849 -17.108
   76    H    MET  12           H        MET  12   9.895   2.941 -14.984
   77    HA   MET  12           HA       MET  12  10.297   1.288 -12.737
   78    HB2  MET  12           HB2      MET  12  10.243   3.724 -12.566
   79    HB3  MET  12           HB3      MET  12   8.552   3.738 -13.049
   80    HG2  MET  12           HG2      MET  12   8.527   4.009 -10.731
   81    HG3  MET  12           HG3      MET  12   8.104   2.320 -10.999
   82    HE1  MET  12           HE1      MET  12   8.460   1.142  -9.305
   83    HE2  MET  12           HE2      MET  12   9.922   0.215  -9.648
   84    HE3  MET  12           HE3      MET  12   9.789   1.128  -8.144
   85    H    ALA  13           H        ALA  13   7.402   2.056 -14.628
   86    HA   ALA  13           HA       ALA  13   5.457   0.854 -13.085
   87    HB1  ALA  13           HB1      ALA  13   4.142   0.647 -15.099
   88    HB2  ALA  13           HB2      ALA  13   5.029   2.172 -15.128
   89    HB3  ALA  13           HB3      ALA  13   5.589   0.810 -16.096
   90    H    ARG  14           H        ARG  14   7.792  -0.634 -15.250
   91    HA   ARG  14           HA       ARG  14   6.736  -3.167 -15.537
   92    HB2  ARG  14           HB2      ARG  14   8.863  -2.216 -16.561
   93    HB3  ARG  14           HB3      ARG  14   9.667  -2.643 -15.056
   94    HG2  ARG  14           HG2      ARG  14  10.133  -4.475 -16.342
   95    HG3  ARG  14           HG3      ARG  14   8.659  -5.005 -15.529
   96    HD2  ARG  14           HD2      ARG  14   8.277  -5.570 -17.753
   97    HD3  ARG  14           HD3      ARG  14   7.438  -4.029 -17.575
   98    HE   ARG  14           HE       ARG  14  10.041  -3.513 -18.451
   99   HH11  ARG  14          HH11      ARG  14   7.109  -5.003 -19.594
  100   HH12  ARG  14          HH12      ARG  14   7.422  -4.647 -21.260
  101   HH21  ARG  14          HH21      ARG  14  10.465  -3.037 -20.642
  102   HH22  ARG  14          HH22      ARG  14   9.332  -3.530 -21.856
  103    H    LYS  15           H        LYS  15   8.885  -2.013 -12.941
  104    HA   LYS  15           HA       LYS  15   8.824  -4.436 -11.473
  105    HB2  LYS  15           HB2      LYS  15   9.478  -1.620 -10.589
  106    HB3  LYS  15           HB3      LYS  15   9.759  -3.060  -9.620
  107    HG2  LYS  15           HG2      LYS  15  11.467  -3.811 -10.995
  108    HG3  LYS  15           HG3      LYS  15  10.940  -2.817 -12.356
  109    HD2  LYS  15           HD2      LYS  15  11.843  -1.507  -9.826
  110    HD3  LYS  15           HD3      LYS  15  13.040  -2.128 -10.965
  111    HE2  LYS  15           HE2      LYS  15  11.336  -0.770 -12.612
  112    HE3  LYS  15           HE3      LYS  15  11.291   0.216 -11.151
  113    HZ1  LYS  15           HZ1      LYS  15  13.386  -0.085 -13.076
  114    HZ2  LYS  15           HZ2      LYS  15  13.935  -0.331 -11.496
  115    HZ3  LYS  15           HZ3      LYS  15  13.163   1.117 -11.906
  116    H    CYS  16           H        CYS  16   6.964  -1.435 -11.268
  117    HA   CYS  16           HA       CYS  16   5.582  -1.830  -8.922
  118    HB2  CYS  16           HB2      CYS  16   5.249   0.232 -10.004
  119    HB3  CYS  16           HB3      CYS  16   4.784  -0.537 -11.517
  120    H    ASP  17           H        ASP  17   5.027  -3.296 -12.065
  121    HA   ASP  17           HA       ASP  17   2.556  -4.544 -11.301
  122    HB2  ASP  17           HB2      ASP  17   4.320  -5.309 -13.628
  123    HB3  ASP  17           HB3      ASP  17   2.587  -5.567 -13.458
  124    H    ASP  18           H        ASP  18   5.938  -5.504 -11.493
  125    HA   ASP  18           HA       ASP  18   5.568  -8.263 -11.058
  126    HB2  ASP  18           HB2      ASP  18   7.682  -7.018 -11.836
  127    HB3  ASP  18           HB3      ASP  18   7.984  -6.728 -10.125
  128    H    CYS  19           H        CYS  19   6.312  -5.620  -8.797
  129    HA   CYS  19           HA       CYS  19   6.485  -7.088  -6.456
  130    HB2  CYS  19           HB2      CYS  19   6.796  -4.519  -6.954
  131    HB3  CYS  19           HB3      CYS  19   5.121  -4.424  -6.418
  132    H    CYS  20           H        CYS  20   3.642  -5.970  -8.190
  133    HA   CYS  20           HA       CYS  20   1.773  -6.638  -6.143
  134    HB2  CYS  20           HB2      CYS  20   1.416  -6.158  -9.106
  135    HB3  CYS  20           HB3      CYS  20   0.084  -6.394  -7.979
  136    H    GLY  21           H        GLY  21   3.321  -8.388  -8.715
  137    HA2  GLY  21           HA2      GLY  21   2.875 -10.911  -7.763
  138    HA3  GLY  21           HA3      GLY  21   1.458 -10.573  -8.746
  139    H    GLY  22           H        GLY  22   1.941  -9.782 -11.006
  140    HA2  GLY  22           HA2      GLY  22   4.490 -10.709 -12.079
  141    HA3  GLY  22           HA3      GLY  22   3.057 -11.575 -12.614
  142    H    LYS  23           H        LYS  23   4.502 -10.459 -14.539
  143    HA   LYS  23           HA       LYS  23   4.137  -7.810 -15.220
  144    HB2  LYS  23           HB2      LYS  23   5.497  -9.599 -16.431
  145    HB3  LYS  23           HB3      LYS  23   3.998 -10.054 -17.229
  146    HG2  LYS  23           HG2      LYS  23   3.818  -7.686 -18.033
  147    HG3  LYS  23           HG3      LYS  23   5.447  -7.425 -17.406
  148    HD2  LYS  23           HD2      LYS  23   5.905  -7.961 -19.595
  149    HD3  LYS  23           HD3      LYS  23   6.005  -9.552 -18.835
  150    HE2  LYS  23           HE2      LYS  23   3.583  -9.870 -19.451
  151    HE3  LYS  23           HE3      LYS  23   3.712  -8.397 -20.411
  152    HZ1  LYS  23           HZ1      LYS  23   4.136 -10.759 -21.448
  153    HZ2  LYS  23           HZ2      LYS  23   5.699 -10.495 -20.858
  154    HZ3  LYS  23           HZ3      LYS  23   5.014  -9.404 -21.956
  155    H    GLY  24           H        GLY  24   2.365  -6.628 -15.472
  156    HA2  GLY  24           HA2      GLY  24   0.360  -6.148 -16.700
  157    HA3  GLY  24           HA3      GLY  24   0.013  -7.871 -16.731
  158    H    ARG  25           H        ARG  25   0.856  -7.912 -13.787
  159    HA   ARG  25           HA       ARG  25  -1.804  -7.281 -12.770
  160    HB2  ARG  25           HB2      ARG  25   0.410  -8.597 -11.214
  161    HB3  ARG  25           HB3      ARG  25  -1.326  -8.711 -10.956
  162    HG2  ARG  25           HG2      ARG  25  -1.195  -9.749 -13.414
  163    HG3  ARG  25           HG3      ARG  25   0.416 -10.177 -12.835
  164    HD2  ARG  25           HD2      ARG  25  -0.869 -11.001 -10.723
  165    HD3  ARG  25           HD3      ARG  25  -2.260 -11.022 -11.806
  166    HE   ARG  25           HE       ARG  25  -0.069 -12.376 -12.978
  167   HH11  ARG  25          HH11      ARG  25  -2.503 -12.715 -10.512
  168   HH12  ARG  25          HH12      ARG  25  -2.534 -14.445 -10.597
  169   HH21  ARG  25          HH21      ARG  25  -0.099 -14.653 -13.099
  170   HH22  ARG  25          HH22      ARG  25  -1.165 -15.547 -12.068
  171    H    GLY  26           H        GLY  26  -2.186  -5.412 -11.791
  172    HA2  GLY  26           HA2      GLY  26  -1.669  -4.002  -9.860
  173    HA3  GLY  26           HA3      GLY  26   0.026  -4.141 -10.302
  174    H    LYS  27           H        LYS  27  -0.943  -1.669  -9.877
  175    HA   LYS  27           HA       LYS  27  -0.798  -0.504 -12.548
  176    HB2  LYS  27           HB2      LYS  27  -3.037  -0.061 -10.591
  177    HB3  LYS  27           HB3      LYS  27  -2.610   1.170 -11.774
  178    HG2  LYS  27           HG2      LYS  27  -3.284  -0.130 -13.564
  179    HG3  LYS  27           HG3      LYS  27  -3.158  -1.634 -12.648
  180    HD2  LYS  27           HD2      LYS  27  -5.137  -1.173 -11.438
  181    HD3  LYS  27           HD3      LYS  27  -5.164   0.506 -11.981
  182    HE2  LYS  27           HE2      LYS  27  -6.824  -0.690 -13.212
  183    HE3  LYS  27           HE3      LYS  27  -5.491  -0.334 -14.310
  184    HZ1  LYS  27           HZ1      LYS  27  -4.663  -2.624 -13.827
  185    HZ2  LYS  27           HZ2      LYS  27  -6.128  -2.569 -14.671
  186    HZ3  LYS  27           HZ3      LYS  27  -6.118  -2.928 -13.018
  187    H    CYS  28           H        CYS  28  -0.165   1.741 -12.544
  188    HA   CYS  28           HA       CYS  28   1.314   2.461 -10.104
  189    HB2  CYS  28           HB2      CYS  28   2.664   2.063 -12.165
  190    HB3  CYS  28           HB3      CYS  28   1.815   3.400 -12.935
  191    H    TYR  29           H        TYR  29   0.202   3.883  -8.932
  192    HA   TYR  29           HA       TYR  29  -0.957   6.208 -10.314
  193    HB2  TYR  29           HB2      TYR  29  -2.175   4.651  -8.026
  194    HB3  TYR  29           HB3      TYR  29  -2.773   6.206  -8.595
  195    HD1  TYR  29           HD1      TYR  29  -3.367   2.822  -8.743
  196    HD2  TYR  29           HD2      TYR  29  -3.072   6.200 -11.314
  197    HE1  TYR  29           HE1      TYR  29  -4.761   1.669 -10.409
  198    HE2  TYR  29           HE2      TYR  29  -4.467   5.057 -12.986
  199    HH   TYR  29           HH       TYR  29  -6.241   3.196 -12.942
  200    H    GLY  30           H        GLY  30   0.280   7.882  -9.766
  201    HA2  GLY  30           HA2      GLY  30   1.115   9.534  -8.372
  202    HA3  GLY  30           HA3      GLY  30   0.556   8.604  -6.990
  203    HA   PRO  31           HA       PRO  31   5.169   8.428  -6.988
  204    HB2  PRO  31           HB2      PRO  31   5.402   8.769  -4.305
  205    HB3  PRO  31           HB3      PRO  31   5.273  10.119  -5.438
  206    HG2  PRO  31           HG2      PRO  31   3.153   8.869  -3.734
  207    HG3  PRO  31           HG3      PRO  31   3.470  10.585  -4.046
  208    HD2  PRO  31           HD2      PRO  31   1.510   9.212  -5.314
  209    HD3  PRO  31           HD3      PRO  31   2.397  10.543  -6.085
  210    H    GLN  32           H        GLN  32   2.620   6.741  -5.366
  211    HA   GLN  32           HA       GLN  32   4.462   4.528  -4.743
  212    HB2  GLN  32           HB2      GLN  32   1.784   5.190  -3.507
  213    HB3  GLN  32           HB3      GLN  32   2.754   3.778  -3.113
  214    HG2  GLN  32           HG2      GLN  32   4.575   5.325  -2.395
  215    HG3  GLN  32           HG3      GLN  32   3.447   6.661  -2.619
  216   HE21  GLN  32          HE21      GLN  32   1.127   5.572  -1.653
  217   HE22  GLN  32          HE22      GLN  32   1.289   5.267   0.039
  218    H    CYS  33           H        CYS  33   3.865   2.415  -5.288
  219    HA   CYS  33           HA       CYS  33   2.148   2.244  -7.618
  220    HB2  CYS  33           HB2      CYS  33   4.237   1.089  -7.784
  221    HB3  CYS  33           HB3      CYS  33   3.969   0.259  -6.255
  222    H    LEU  34           H        LEU  34   0.117   1.536  -7.622
  223    HA   LEU  34           HA       LEU  34  -0.888   0.188  -5.204
  224    HB2  LEU  34           HB2      LEU  34  -2.578   1.703  -7.167
  225    HB3  LEU  34           HB3      LEU  34  -2.990   1.198  -5.530
  226    HG   LEU  34           HG       LEU  34  -1.027   3.366  -6.275
  227   HD11  LEU  34          HD11      LEU  34  -3.468   3.848  -6.636
  228   HD12  LEU  34          HD12      LEU  34  -2.644   4.917  -5.503
  229   HD13  LEU  34          HD13      LEU  34  -3.689   3.632  -4.899
  230   HD21  LEU  34          HD21      LEU  34  -0.776   3.784  -3.953
  231   HD22  LEU  34          HD22      LEU  34  -0.505   2.057  -4.192
  232   HD23  LEU  34          HD23      LEU  34  -2.041   2.627  -3.539
  233    H    CYS  35           H        CYS  35  -1.383  -1.877  -5.465
  234    HA   CYS  35           HA       CYS  35  -1.569  -3.050  -8.084
  235    HB2  CYS  35           HB2      CYS  35  -2.134  -4.372  -5.426
  236    HB3  CYS  35           HB3      CYS  35  -1.713  -5.161  -6.943
  237    H    ARG  36           H        ARG  36  -3.362  -4.209  -8.920
  238    HA   ARG  36           HA       ARG  36  -5.847  -2.892  -8.585
  239    HB2  ARG  36           HB2      ARG  36  -6.709  -4.465 -10.203
  240    HB3  ARG  36           HB3      ARG  36  -5.104  -3.948 -10.704
  241    HG2  ARG  36           HG2      ARG  36  -4.139  -6.011  -9.993
  242    HG3  ARG  36           HG3      ARG  36  -5.650  -6.514  -9.234
  243    HD2  ARG  36           HD2      ARG  36  -6.637  -6.226 -11.621
  244    HD3  ARG  36           HD3      ARG  36  -4.955  -6.332 -12.138
  245    HE   ARG  36           HE       ARG  36  -5.766  -8.454 -10.376
  246   HH11  ARG  36          HH11      ARG  36  -5.612  -7.369 -13.679
  247   HH12  ARG  36          HH12      ARG  36  -5.655  -8.968 -14.344
  248   HH21  ARG  36          HH21      ARG  36  -5.824 -10.565 -11.238
  249   HH22  ARG  36          HH22      ARG  36  -5.777 -10.785 -12.955
  Start of MODEL    8
    1    H    MET   1           H        MET   1   1.075   0.928   0.522
    2    HA   MET   1           HA       MET   1   1.398  -0.135  -1.906
    3    HB2  MET   1           HB2      MET   1   3.311   1.378  -2.284
    4    HB3  MET   1           HB3      MET   1   1.994   2.171  -1.429
    5    HG2  MET   1           HG2      MET   1   3.701   2.904  -0.152
    6    HG3  MET   1           HG3      MET   1   3.407   1.377   0.675
    7    HE1  MET   1           HE1      MET   1   6.895   2.427  -2.097
    8    HE2  MET   1           HE2      MET   1   5.242   3.024  -2.239
    9    HE3  MET   1           HE3      MET   1   6.250   3.533  -0.885
   10    H    CYS   2           H        CYS   2   2.757  -1.468  -3.025
   11    HA   CYS   2           HA       CYS   2   4.335  -3.307  -1.446
   12    HB2  CYS   2           HB2      CYS   2   2.810  -3.997  -3.346
   13    HB3  CYS   2           HB3      CYS   2   3.990  -3.291  -4.446
   14    H    MET   3           H        MET   3   4.863  -0.768  -3.815
   15    HA   MET   3           HA       MET   3   7.582  -0.456  -2.983
   16    HB2  MET   3           HB2      MET   3   8.725  -1.073  -4.944
   17    HB3  MET   3           HB3      MET   3   7.613  -2.401  -4.643
   18    HG2  MET   3           HG2      MET   3   6.087  -1.535  -6.315
   19    HG3  MET   3           HG3      MET   3   7.149  -0.156  -6.591
   20    HE1  MET   3           HE1      MET   3  10.214  -2.132  -6.624
   21    HE2  MET   3           HE2      MET   3  10.197  -1.499  -8.271
   22    HE3  MET   3           HE3      MET   3   9.622  -0.500  -6.936
   23    HA   PRO   4           HA       PRO   4   6.830   3.651  -4.337
   24    HB2  PRO   4           HB2      PRO   4   9.344   4.488  -4.924
   25    HB3  PRO   4           HB3      PRO   4   8.778   4.235  -3.269
   26    HG2  PRO   4           HG2      PRO   4  10.423   2.433  -5.003
   27    HG3  PRO   4           HG3      PRO   4  10.625   2.822  -3.286
   28    HD2  PRO   4           HD2      PRO   4   9.472   0.524  -4.133
   29    HD3  PRO   4           HD3      PRO   4   8.993   1.334  -2.628
   30    H    CYS   5           H        CYS   5   6.012   4.397  -6.182
   31    HA   CYS   5           HA       CYS   5   7.118   3.409  -8.719
   32    HB2  CYS   5           HB2      CYS   5   4.552   3.308  -7.878
   33    HB3  CYS   5           HB3      CYS   5   4.537   4.860  -8.710
   34    H    PHE   6           H        PHE   6   6.835   5.006 -10.581
   35    HA   PHE   6           HA       PHE   6   7.191   7.790  -9.790
   36    HB2  PHE   6           HB2      PHE   6   9.264   6.169 -11.269
   37    HB3  PHE   6           HB3      PHE   6   9.232   7.929 -11.293
   38    HD1  PHE   6           HD1      PHE   6  10.051   9.196  -9.477
   39    HD2  PHE   6           HD2      PHE   6   9.636   4.975  -9.124
   40    HE1  PHE   6           HE1      PHE   6  11.339   9.248  -7.381
   41    HE2  PHE   6           HE2      PHE   6  10.922   5.020  -7.027
   42    HZ   PHE   6           HZ       PHE   6  11.777   7.158  -6.153
   43    H    THR   7           H        THR   7   5.756   8.843 -10.981
   44    HA   THR   7           HA       THR   7   4.558   7.867 -13.320
   45    HB   THR   7           HB       THR   7   3.534  10.030 -13.569
   46    HG1  THR   7           HG1      THR   7   4.344  11.704 -11.976
   47   HG21  THR   7          HG21      THR   7   3.612  10.130 -10.654
   48   HG22  THR   7          HG22      THR   7   3.356   8.502 -11.285
   49   HG23  THR   7          HG23      THR   7   2.259   9.806 -11.738
   50    H    THR   8           H        THR   8   7.339   9.957 -12.822
   51    HA   THR   8           HA       THR   8   7.621  10.718 -15.557
   52    HB   THR   8           HB       THR   8   8.584  12.055 -13.719
   53    HG1  THR   8           HG1      THR   8  10.731  11.122 -15.312
   54   HG21  THR   8          HG21      THR   8  10.018  11.250 -12.192
   55   HG22  THR   8          HG22      THR   8  10.967  10.392 -13.407
   56   HG23  THR   8          HG23      THR   8   9.505   9.657 -12.749
   57    H    ASP   9           H        ASP   9   8.528   7.950 -13.714
   58    HA   ASP   9           HA       ASP   9  10.518   7.075 -15.645
   59    HB2  ASP   9           HB2      ASP   9   9.430   5.668 -13.197
   60    HB3  ASP   9           HB3      ASP   9  10.809   5.145 -14.161
   61    H    HIS  10           H        HIS  10  10.189   5.640 -17.237
   62    HA   HIS  10           HA       HIS  10   7.461   4.684 -17.652
   63    HB2  HIS  10           HB2      HIS  10   9.840   4.584 -19.517
   64    HB3  HIS  10           HB3      HIS  10   8.175   4.197 -19.936
   65    HD1  HIS  10           HD1      HIS  10   6.583   6.149 -20.385
   66    HD2  HIS  10           HD2      HIS  10  10.394   7.341 -19.234
   67    HE1  HIS  10           HE1      HIS  10   6.682   8.620 -20.841
   68    H    GLN  11           H        GLN  11  10.729   3.487 -17.173
   69    HA   GLN  11           HA       GLN  11   9.976   0.732 -17.576
   70    HB2  GLN  11           HB2      GLN  11  12.305   0.262 -16.813
   71    HB3  GLN  11           HB3      GLN  11  12.213   1.364 -18.182
   72    HG2  GLN  11           HG2      GLN  11  12.886   3.179 -16.944
   73    HG3  GLN  11           HG3      GLN  11  12.352   2.472 -15.420
   74   HE21  GLN  11          HE21      GLN  11  14.956   3.013 -17.491
   75   HE22  GLN  11          HE22      GLN  11  16.131   2.043 -16.675
   76    H    MET  12           H        MET  12   9.828   2.952 -15.018
   77    HA   MET  12           HA       MET  12  10.275   1.279 -12.801
   78    HB2  MET  12           HB2      MET  12  10.204   3.707 -12.595
   79    HB3  MET  12           HB3      MET  12   8.508   3.719 -13.059
   80    HG2  MET  12           HG2      MET  12   8.563   3.975 -10.722
   81    HG3  MET  12           HG3      MET  12   8.049   2.318 -11.028
   82    HE1  MET  12           HE1      MET  12  10.266   0.076  -9.564
   83    HE2  MET  12           HE2      MET  12   9.242   0.965  -8.436
   84    HE3  MET  12           HE3      MET  12   8.661   0.608 -10.064
   85    H    ALA  13           H        ALA  13   7.354   2.012 -14.658
   86    HA   ALA  13           HA       ALA  13   5.435   0.799 -13.093
   87    HB1  ALA  13           HB1      ALA  13   5.707   1.248 -16.025
   88    HB2  ALA  13           HB2      ALA  13   4.384   0.244 -15.432
   89    HB3  ALA  13           HB3      ALA  13   4.537   1.913 -14.884
   90    H    ARG  14           H        ARG  14   7.768  -0.676 -15.266
   91    HA   ARG  14           HA       ARG  14   6.739  -3.222 -15.532
   92    HB2  ARG  14           HB2      ARG  14   8.878  -2.206 -16.535
   93    HB3  ARG  14           HB3      ARG  14   9.669  -2.730 -15.055
   94    HG2  ARG  14           HG2      ARG  14   8.083  -4.678 -16.667
   95    HG3  ARG  14           HG3      ARG  14   9.724  -4.246 -17.153
   96    HD2  ARG  14           HD2      ARG  14  10.272  -4.750 -14.642
   97    HD3  ARG  14           HD3      ARG  14   8.778  -5.685 -14.717
   98    HE   ARG  14           HE       ARG  14   9.846  -7.238 -16.029
   99   HH11  ARG  14          HH11      ARG  14  11.798  -4.364 -15.800
  100   HH12  ARG  14          HH12      ARG  14  13.184  -5.088 -16.547
  101   HH21  ARG  14          HH21      ARG  14  11.664  -8.203 -17.013
  102   HH22  ARG  14          HH22      ARG  14  13.106  -7.271 -17.237
  103    H    LYS  15           H        LYS  15   8.832  -1.990 -12.932
  104    HA   LYS  15           HA       LYS  15   8.822  -4.421 -11.456
  105    HB2  LYS  15           HB2      LYS  15   9.492  -1.588 -10.645
  106    HB3  LYS  15           HB3      LYS  15   9.726  -2.986  -9.605
  107    HG2  LYS  15           HG2      LYS  15  11.472  -3.800 -10.860
  108    HG3  LYS  15           HG3      LYS  15  10.953  -2.959 -12.322
  109    HD2  LYS  15           HD2      LYS  15  11.824  -1.389  -9.931
  110    HD3  LYS  15           HD3      LYS  15  13.033  -2.108 -10.997
  111    HE2  LYS  15           HE2      LYS  15  11.295  -0.930 -12.764
  112    HE3  LYS  15           HE3      LYS  15  11.293   0.202 -11.412
  113    HZ1  LYS  15           HZ1      LYS  15  13.883  -0.203 -11.627
  114    HZ2  LYS  15           HZ2      LYS  15  13.081   0.979 -12.534
  115    HZ3  LYS  15           HZ3      LYS  15  13.456  -0.513 -13.235
  116    H    CYS  16           H        CYS  16   6.951  -1.425 -11.257
  117    HA   CYS  16           HA       CYS  16   5.583  -1.818  -8.901
  118    HB2  CYS  16           HB2      CYS  16   5.267   0.242 -10.019
  119    HB3  CYS  16           HB3      CYS  16   4.732  -0.550 -11.498
  120    H    ASP  17           H        ASP  17   4.975  -3.254 -12.056
  121    HA   ASP  17           HA       ASP  17   2.526  -4.519 -11.268
  122    HB2  ASP  17           HB2      ASP  17   4.272  -5.274 -13.613
  123    HB3  ASP  17           HB3      ASP  17   2.539  -5.538 -13.428
  124    H    ASP  18           H        ASP  18   5.909  -5.461 -11.465
  125    HA   ASP  18           HA       ASP  18   5.561  -8.226 -11.060
  126    HB2  ASP  18           HB2      ASP  18   7.682  -6.781 -11.714
  127    HB3  ASP  18           HB3      ASP  18   7.974  -6.837  -9.978
  128    H    CYS  19           H        CYS  19   6.273  -5.607  -8.757
  129    HA   CYS  19           HA       CYS  19   6.421  -7.106  -6.435
  130    HB2  CYS  19           HB2      CYS  19   6.762  -4.544  -6.873
  131    HB3  CYS  19           HB3      CYS  19   5.068  -4.432  -6.408
  132    H    CYS  20           H        CYS  20   3.597  -5.968  -8.184
  133    HA   CYS  20           HA       CYS  20   1.705  -6.651  -6.166
  134    HB2  CYS  20           HB2      CYS  20   1.374  -6.181  -9.135
  135    HB3  CYS  20           HB3      CYS  20   0.035  -6.397  -8.011
  136    H    GLY  21           H        GLY  21   3.288  -8.393  -8.722
  137    HA2  GLY  21           HA2      GLY  21   2.835 -10.919  -7.779
  138    HA3  GLY  21           HA3      GLY  21   1.431 -10.582  -8.781
  139    H    GLY  22           H        GLY  22   1.944  -9.787 -11.033
  140    HA2  GLY  22           HA2      GLY  22   4.510 -10.709 -12.071
  141    HA3  GLY  22           HA3      GLY  22   3.086 -11.575 -12.628
  142    H    LYS  23           H        LYS  23   4.557 -10.453 -14.531
  143    HA   LYS  23           HA       LYS  23   4.199  -7.803 -15.211
  144    HB2  LYS  23           HB2      LYS  23   5.587  -9.570 -16.407
  145    HB3  LYS  23           HB3      LYS  23   4.102 -10.055 -17.216
  146    HG2  LYS  23           HG2      LYS  23   4.959  -8.622 -18.765
  147    HG3  LYS  23           HG3      LYS  23   3.979  -7.500 -17.819
  148    HD2  LYS  23           HD2      LYS  23   5.954  -6.338 -17.920
  149    HD3  LYS  23           HD3      LYS  23   6.200  -7.251 -16.428
  150    HE2  LYS  23           HE2      LYS  23   7.070  -8.418 -19.036
  151    HE3  LYS  23           HE3      LYS  23   8.062  -7.181 -18.266
  152    HZ1  LYS  23           HZ1      LYS  23   7.471  -9.911 -17.374
  153    HZ2  LYS  23           HZ2      LYS  23   7.750  -8.726 -16.201
  154    HZ3  LYS  23           HZ3      LYS  23   8.936  -9.067 -17.358
  155    H    GLY  24           H        GLY  24   2.430  -6.623 -15.487
  156    HA2  GLY  24           HA2      GLY  24   0.441  -6.143 -16.742
  157    HA3  GLY  24           HA3      GLY  24   0.098  -7.865 -16.783
  158    H    ARG  25           H        ARG  25   0.897  -7.914 -13.827
  159    HA   ARG  25           HA       ARG  25  -1.778  -7.283 -12.847
  160    HB2  ARG  25           HB2      ARG  25   0.404  -8.615 -11.261
  161    HB3  ARG  25           HB3      ARG  25  -1.337  -8.729 -11.040
  162    HG2  ARG  25           HG2      ARG  25  -1.149  -9.748 -13.506
  163    HG3  ARG  25           HG3      ARG  25   0.445 -10.187 -12.886
  164    HD2  ARG  25           HD2      ARG  25  -0.410 -11.594 -11.293
  165    HD3  ARG  25           HD3      ARG  25  -1.928 -10.705 -11.171
  166    HE   ARG  25           HE       ARG  25  -2.799 -12.118 -12.727
  167   HH11  ARG  25          HH11      ARG  25   0.668 -12.141 -13.039
  168   HH12  ARG  25          HH12      ARG  25   0.682 -13.375 -14.255
  169   HH21  ARG  25          HH21      ARG  25  -2.795 -13.743 -14.327
  170   HH22  ARG  25          HH22      ARG  25  -1.289 -14.285 -14.988
  171    H    GLY  26           H        GLY  26  -2.171  -5.428 -11.847
  172    HA2  GLY  26           HA2      GLY  26  -1.640  -4.060  -9.872
  173    HA3  GLY  26           HA3      GLY  26   0.043  -4.145 -10.369
  174    H    LYS  27           H        LYS  27  -0.618  -1.710  -9.944
  175    HA   LYS  27           HA       LYS  27  -0.667  -0.491 -12.557
  176    HB2  LYS  27           HB2      LYS  27  -3.115  -0.814 -11.419
  177    HB3  LYS  27           HB3      LYS  27  -2.661   0.758 -10.777
  178    HG2  LYS  27           HG2      LYS  27  -2.777   1.775 -12.798
  179    HG3  LYS  27           HG3      LYS  27  -2.272   0.330 -13.678
  180    HD2  LYS  27           HD2      LYS  27  -4.915   0.302 -12.309
  181    HD3  LYS  27           HD3      LYS  27  -4.754   1.226 -13.805
  182    HE2  LYS  27           HE2      LYS  27  -5.341  -0.795 -14.679
  183    HE3  LYS  27           HE3      LYS  27  -3.591  -1.006 -14.625
  184    HZ1  LYS  27           HZ1      LYS  27  -5.301  -2.751 -13.596
  185    HZ2  LYS  27           HZ2      LYS  27  -5.052  -1.780 -12.233
  186    HZ3  LYS  27           HZ3      LYS  27  -3.737  -2.529 -12.990
  187    H    CYS  28           H        CYS  28   0.040   1.685 -12.546
  188    HA   CYS  28           HA       CYS  28   1.424   2.432 -10.065
  189    HB2  CYS  28           HB2      CYS  28   2.802   2.087 -12.117
  190    HB3  CYS  28           HB3      CYS  28   1.941   3.421 -12.875
  191    H    TYR  29           H        TYR  29   0.266   3.814  -8.887
  192    HA   TYR  29           HA       TYR  29  -0.993   6.091 -10.268
  193    HB2  TYR  29           HB2      TYR  29  -2.023   4.477  -7.935
  194    HB3  TYR  29           HB3      TYR  29  -2.654   6.070  -8.338
  195    HD1  TYR  29           HD1      TYR  29  -3.240   2.686  -8.709
  196    HD2  TYR  29           HD2      TYR  29  -3.238   6.284 -10.980
  197    HE1  TYR  29           HE1      TYR  29  -4.783   1.660 -10.326
  198    HE2  TYR  29           HE2      TYR  29  -4.781   5.268 -12.603
  199    HH   TYR  29           HH       TYR  29  -5.857   3.422 -13.216
  200    H    GLY  30           H        GLY  30   0.273   7.792  -9.863
  201    HA2  GLY  30           HA2      GLY  30   1.196   9.502  -8.615
  202    HA3  GLY  30           HA3      GLY  30   0.608   8.704  -7.164
  203    HA   PRO  31           HA       PRO  31   5.194   8.398  -7.043
  204    HB2  PRO  31           HB2      PRO  31   5.361   8.783  -4.361
  205    HB3  PRO  31           HB3      PRO  31   5.282  10.115  -5.519
  206    HG2  PRO  31           HG2      PRO  31   3.101   8.922  -3.851
  207    HG3  PRO  31           HG3      PRO  31   3.449  10.629  -4.183
  208    HD2  PRO  31           HD2      PRO  31   1.505   9.261  -5.479
  209    HD3  PRO  31           HD3      PRO  31   2.429  10.566  -6.249
  210    H    GLN  32           H        GLN  32   2.586   6.790  -5.417
  211    HA   GLN  32           HA       GLN  32   4.379   4.575  -4.680
  212    HB2  GLN  32           HB2      GLN  32   1.580   5.092  -3.669
  213    HB3  GLN  32           HB3      GLN  32   2.712   3.887  -3.072
  214    HG2  GLN  32           HG2      GLN  32   3.291   6.830  -2.971
  215    HG3  GLN  32           HG3      GLN  32   2.431   5.983  -1.685
  216   HE21  GLN  32          HE21      GLN  32   5.408   5.820  -3.596
  217   HE22  GLN  32          HE22      GLN  32   6.407   5.238  -2.312
  218    H    CYS  33           H        CYS  33   3.699   2.414  -5.103
  219    HA   CYS  33           HA       CYS  33   2.128   2.211  -7.556
  220    HB2  CYS  33           HB2      CYS  33   4.255   1.123  -7.673
  221    HB3  CYS  33           HB3      CYS  33   3.983   0.290  -6.146
  222    H    LEU  34           H        LEU  34   0.058   1.678  -7.472
  223    HA   LEU  34           HA       LEU  34  -0.926   0.187  -5.133
  224    HB2  LEU  34           HB2      LEU  34  -2.684   1.673  -7.045
  225    HB3  LEU  34           HB3      LEU  34  -2.993   1.232  -5.367
  226    HG   LEU  34           HG       LEU  34  -1.132   3.402  -6.336
  227   HD11  LEU  34          HD11      LEU  34  -3.652   3.761  -6.438
  228   HD12  LEU  34          HD12      LEU  34  -2.706   4.946  -5.539
  229   HD13  LEU  34          HD13      LEU  34  -3.615   3.706  -4.676
  230   HD21  LEU  34          HD21      LEU  34  -1.095   1.919  -3.922
  231   HD22  LEU  34          HD22      LEU  34  -1.692   3.538  -3.552
  232   HD23  LEU  34          HD23      LEU  34  -0.136   3.334  -4.357
  233    H    CYS  35           H        CYS  35  -1.424  -1.869  -5.444
  234    HA   CYS  35           HA       CYS  35  -1.583  -2.982  -8.091
  235    HB2  CYS  35           HB2      CYS  35  -2.157  -4.358  -5.462
  236    HB3  CYS  35           HB3      CYS  35  -1.746  -5.120  -6.995
  237    H    ARG  36           H        ARG  36  -3.365  -4.126  -8.969
  238    HA   ARG  36           HA       ARG  36  -5.807  -2.827  -8.873
  239    HB2  ARG  36           HB2      ARG  36  -6.721  -4.898  -9.975
  240    HB3  ARG  36           HB3      ARG  36  -5.300  -4.209 -10.749
  241    HG2  ARG  36           HG2      ARG  36  -4.212  -6.123 -10.549
  242    HG3  ARG  36           HG3      ARG  36  -4.479  -6.136  -8.805
  243    HD2  ARG  36           HD2      ARG  36  -5.379  -8.141  -9.925
  244    HD3  ARG  36           HD3      ARG  36  -6.623  -7.203  -9.099
  245    HE   ARG  36           HE       ARG  36  -7.606  -6.776 -11.126
  246   HH11  ARG  36          HH11      ARG  36  -4.402  -8.037 -11.639
  247   HH12  ARG  36          HH12      ARG  36  -4.606  -8.218 -13.350
  248   HH21  ARG  36          HH21      ARG  36  -7.887  -7.010 -13.377
  249   HH22  ARG  36          HH22      ARG  36  -6.589  -7.633 -14.338
  Start of MODEL    9
    1    H    MET   1           H        MET   1   1.555  -0.380   0.731
    2    HA   MET   1           HA       MET   1   1.563  -0.147  -2.196
    3    HB2  MET   1           HB2      MET   1   3.436   1.466  -2.052
    4    HB3  MET   1           HB3      MET   1   1.944   2.096  -1.367
    5    HG2  MET   1           HG2      MET   1   2.795   1.475   0.887
    6    HG3  MET   1           HG3      MET   1   4.326   1.039   0.132
    7    HE1  MET   1           HE1      MET   1   6.188   3.068  -0.703
    8    HE2  MET   1           HE2      MET   1   6.203   4.061   0.755
    9    HE3  MET   1           HE3      MET   1   5.991   2.314   0.879
   10    H    CYS   2           H        CYS   2   2.768  -1.674  -3.098
   11    HA   CYS   2           HA       CYS   2   4.433  -3.371  -1.478
   12    HB2  CYS   2           HB2      CYS   2   2.980  -4.173  -3.380
   13    HB3  CYS   2           HB3      CYS   2   4.127  -3.418  -4.483
   14    H    MET   3           H        MET   3   4.911  -0.867  -3.895
   15    HA   MET   3           HA       MET   3   7.609  -0.452  -3.019
   16    HB2  MET   3           HB2      MET   3   8.792  -1.043  -4.958
   17    HB3  MET   3           HB3      MET   3   7.701  -2.395  -4.689
   18    HG2  MET   3           HG2      MET   3   6.181  -1.517  -6.377
   19    HG3  MET   3           HG3      MET   3   7.255  -0.144  -6.635
   20    HE1  MET   3           HE1      MET   3  10.350  -1.566  -8.231
   21    HE2  MET   3           HE2      MET   3   9.745  -0.510  -6.955
   22    HE3  MET   3           HE3      MET   3  10.284  -2.144  -6.566
   23    HA   PRO   4           HA       PRO   4   6.735   3.629  -4.377
   24    HB2  PRO   4           HB2      PRO   4   9.226   4.547  -4.945
   25    HB3  PRO   4           HB3      PRO   4   8.656   4.276  -3.294
   26    HG2  PRO   4           HG2      PRO   4  10.372   2.528  -5.017
   27    HG3  PRO   4           HG3      PRO   4  10.547   2.923  -3.297
   28    HD2  PRO   4           HD2      PRO   4   9.474   0.589  -4.154
   29    HD3  PRO   4           HD3      PRO   4   8.959   1.382  -2.652
   30    H    CYS   5           H        CYS   5   5.913   4.358  -6.229
   31    HA   CYS   5           HA       CYS   5   7.042   3.381  -8.758
   32    HB2  CYS   5           HB2      CYS   5   4.473   3.284  -7.929
   33    HB3  CYS   5           HB3      CYS   5   4.462   4.837  -8.759
   34    H    PHE   6           H        PHE   6   6.707   4.992 -10.628
   35    HA   PHE   6           HA       PHE   6   7.113   7.767  -9.827
   36    HB2  PHE   6           HB2      PHE   6   9.136   6.121 -11.344
   37    HB3  PHE   6           HB3      PHE   6   9.115   7.881 -11.403
   38    HD1  PHE   6           HD1      PHE   6   9.996   9.175  -9.640
   39    HD2  PHE   6           HD2      PHE   6   9.543   4.968  -9.179
   40    HE1  PHE   6           HE1      PHE   6  11.336   9.261  -7.578
   41    HE2  PHE   6           HE2      PHE   6  10.882   5.048  -7.116
   42    HZ   PHE   6           HZ       PHE   6  11.779   7.195  -6.312
   43    H    THR   7           H        THR   7   6.040   9.093 -11.134
   44    HA   THR   7           HA       THR   7   4.629   8.077 -13.401
   45    HB   THR   7           HB       THR   7   3.761  10.348 -13.666
   46    HG1  THR   7           HG1      THR   7   5.411  11.111 -11.479
   47   HG21  THR   7          HG21      THR   7   2.493  10.424 -11.706
   48   HG22  THR   7          HG22      THR   7   3.823   9.833 -10.710
   49   HG23  THR   7          HG23      THR   7   2.986   8.735 -11.806
   50    H    THR   8           H        THR   8   7.493  10.058 -12.926
   51    HA   THR   8           HA       THR   8   7.765  10.788 -15.680
   52    HB   THR   8           HB       THR   8   8.741  12.150 -13.860
   53    HG1  THR   8           HG1      THR   8   9.655  12.358 -15.918
   54   HG21  THR   8          HG21      THR   8  10.989  10.201 -13.608
   55   HG22  THR   8          HG22      THR   8   9.527   9.950 -12.654
   56   HG23  THR   8          HG23      THR   8  10.448  11.444 -12.482
   57    H    ASP   9           H        ASP   9   8.645   8.052 -13.777
   58    HA   ASP   9           HA       ASP   9  10.609   7.112 -15.712
   59    HB2  ASP   9           HB2      ASP   9  10.855   6.836 -13.191
   60    HB3  ASP   9           HB3      ASP   9   9.588   5.617 -13.299
   61    H    HIS  10           H        HIS  10  10.219   5.664 -17.269
   62    HA   HIS  10           HA       HIS  10   7.489   4.665 -17.551
   63    HB2  HIS  10           HB2      HIS  10   9.816   4.923 -19.441
   64    HB3  HIS  10           HB3      HIS  10   8.414   3.938 -19.848
   65    HD1  HIS  10           HD1      HIS  10   8.580   7.401 -18.277
   66    HD2  HIS  10           HD2      HIS  10   7.013   5.453 -21.595
   67    HE1  HIS  10           HE1      HIS  10   7.225   9.134 -19.497
   68    H    GLN  11           H        GLN  11  10.767   3.541 -17.077
   69    HA   GLN  11           HA       GLN  11  10.098   0.765 -17.481
   70    HB2  GLN  11           HB2      GLN  11  12.404   0.326 -16.792
   71    HB3  GLN  11           HB3      GLN  11  12.341   1.588 -18.014
   72    HG2  GLN  11           HG2      GLN  11  13.014   3.218 -16.570
   73    HG3  GLN  11           HG3      GLN  11  12.343   2.401 -15.160
   74   HE21  GLN  11          HE21      GLN  11  14.421   2.967 -14.209
   75   HE22  GLN  11          HE22      GLN  11  15.771   1.919 -14.462
   76    H    MET  12           H        MET  12   9.829   2.987 -14.936
   77    HA   MET  12           HA       MET  12  10.264   1.310 -12.710
   78    HB2  MET  12           HB2      MET  12  10.179   3.741 -12.505
   79    HB3  MET  12           HB3      MET  12   8.487   3.740 -12.985
   80    HG2  MET  12           HG2      MET  12   8.565   4.000 -10.632
   81    HG3  MET  12           HG3      MET  12   7.993   2.368 -10.965
   82    HE1  MET  12           HE1      MET  12   8.588   0.580 -10.087
   83    HE2  MET  12           HE2      MET  12  10.157   0.032  -9.500
   84    HE3  MET  12           HE3      MET  12   9.078   0.926  -8.429
   85    H    ALA  13           H        ALA  13   7.368   2.053 -14.603
   86    HA   ALA  13           HA       ALA  13   5.431   0.816 -13.077
   87    HB1  ALA  13           HB1      ALA  13   4.254   1.619 -14.780
   88    HB2  ALA  13           HB2      ALA  13   5.690   1.709 -15.800
   89    HB3  ALA  13           HB3      ALA  13   4.757   0.213 -15.720
   90    H    ARG  14           H        ARG  14   7.794  -0.627 -15.242
   91    HA   ARG  14           HA       ARG  14   6.773  -3.173 -15.547
   92    HB2  ARG  14           HB2      ARG  14   8.906  -2.158 -16.536
   93    HB3  ARG  14           HB3      ARG  14   9.697  -2.649 -15.044
   94    HG2  ARG  14           HG2      ARG  14   9.595  -4.869 -15.554
   95    HG3  ARG  14           HG3      ARG  14   8.142  -4.690 -16.539
   96    HD2  ARG  14           HD2      ARG  14   9.319  -4.050 -18.402
   97    HD3  ARG  14           HD3      ARG  14  10.661  -3.399 -17.462
   98    HE   ARG  14           HE       ARG  14  10.570  -6.174 -17.091
   99   HH11  ARG  14          HH11      ARG  14  11.250  -3.841 -19.584
  100   HH12  ARG  14          HH12      ARG  14  12.356  -4.872 -20.429
  101   HH21  ARG  14          HH21      ARG  14  12.025  -7.541 -18.195
  102   HH22  ARG  14          HH22      ARG  14  12.795  -6.976 -19.639
  103    H    LYS  15           H        LYS  15   8.883  -1.995 -12.932
  104    HA   LYS  15           HA       LYS  15   8.826  -4.437 -11.480
  105    HB2  LYS  15           HB2      LYS  15   9.529  -1.633 -10.598
  106    HB3  LYS  15           HB3      LYS  15   9.792  -3.077  -9.630
  107    HG2  LYS  15           HG2      LYS  15  11.509  -3.824 -10.967
  108    HG3  LYS  15           HG3      LYS  15  10.952  -2.915 -12.373
  109    HD2  LYS  15           HD2      LYS  15  11.876  -1.458  -9.933
  110    HD3  LYS  15           HD3      LYS  15  13.063  -2.125 -11.056
  111    HE2  LYS  15           HE2      LYS  15  11.329  -0.882 -12.752
  112    HE3  LYS  15           HE3      LYS  15  11.267   0.177 -11.344
  113    HZ1  LYS  15           HZ1      LYS  15  13.874  -0.139 -11.537
  114    HZ2  LYS  15           HZ2      LYS  15  13.049   1.073 -12.380
  115    HZ3  LYS  15           HZ3      LYS  15  13.477  -0.362 -13.166
  116    H    CYS  16           H        CYS  16   6.968  -1.442 -11.314
  117    HA   CYS  16           HA       CYS  16   5.615  -1.776  -8.942
  118    HB2  CYS  16           HB2      CYS  16   5.276   0.252 -10.098
  119    HB3  CYS  16           HB3      CYS  16   4.760  -0.573 -11.566
  120    H    ASP  17           H        ASP  17   4.849  -3.169 -12.105
  121    HA   ASP  17           HA       ASP  17   2.471  -4.475 -11.217
  122    HB2  ASP  17           HB2      ASP  17   4.150  -5.173 -13.631
  123    HB3  ASP  17           HB3      ASP  17   2.445  -5.533 -13.377
  124    H    ASP  18           H        ASP  18   5.847  -5.408 -11.537
  125    HA   ASP  18           HA       ASP  18   5.534  -8.173 -11.135
  126    HB2  ASP  18           HB2      ASP  18   7.615  -6.917 -11.927
  127    HB3  ASP  18           HB3      ASP  18   7.926  -6.576 -10.226
  128    H    CYS  19           H        CYS  19   6.302  -5.576  -8.823
  129    HA   CYS  19           HA       CYS  19   6.494  -7.104  -6.521
  130    HB2  CYS  19           HB2      CYS  19   6.830  -4.529  -6.955
  131    HB3  CYS  19           HB3      CYS  19   5.160  -4.426  -6.407
  132    H    CYS  20           H        CYS  20   3.640  -5.921  -8.191
  133    HA   CYS  20           HA       CYS  20   1.782  -6.583  -6.144
  134    HB2  CYS  20           HB2      CYS  20   1.404  -6.156  -9.114
  135    HB3  CYS  20           HB3      CYS  20   0.084  -6.347  -7.965
  136    H    GLY  21           H        GLY  21   3.314  -8.371  -8.699
  137    HA2  GLY  21           HA2      GLY  21   2.866 -10.881  -7.713
  138    HA3  GLY  21           HA3      GLY  21   1.445 -10.552  -8.693
  139    H    GLY  22           H        GLY  22   1.923  -9.784 -10.964
  140    HA2  GLY  22           HA2      GLY  22   4.462 -10.740 -12.036
  141    HA3  GLY  22           HA3      GLY  22   3.021 -11.601 -12.557
  142    H    LYS  23           H        LYS  23   4.474 -10.510 -14.496
  143    HA   LYS  23           HA       LYS  23   4.118  -7.867 -15.202
  144    HB2  LYS  23           HB2      LYS  23   5.497  -9.611 -16.405
  145    HB3  LYS  23           HB3      LYS  23   4.007 -10.170 -17.152
  146    HG2  LYS  23           HG2      LYS  23   4.761  -8.768 -18.776
  147    HG3  LYS  23           HG3      LYS  23   3.792  -7.636 -17.831
  148    HD2  LYS  23           HD2      LYS  23   5.742  -6.443 -18.063
  149    HD3  LYS  23           HD3      LYS  23   6.046  -7.275 -16.536
  150    HE2  LYS  23           HE2      LYS  23   8.010  -7.667 -17.677
  151    HE3  LYS  23           HE3      LYS  23   7.081  -9.113 -18.067
  152    HZ1  LYS  23           HZ1      LYS  23   8.103  -8.236 -20.041
  153    HZ2  LYS  23           HZ2      LYS  23   7.407  -6.716 -19.788
  154    HZ3  LYS  23           HZ3      LYS  23   6.426  -8.043 -20.160
  155    H    GLY  24           H        GLY  24   2.351  -6.682 -15.466
  156    HA2  GLY  24           HA2      GLY  24   0.346  -6.207 -16.698
  157    HA3  GLY  24           HA3      GLY  24  -0.005  -7.929 -16.714
  158    H    ARG  25           H        ARG  25   0.836  -7.947 -13.769
  159    HA   ARG  25           HA       ARG  25  -1.822  -7.299 -12.759
  160    HB2  ARG  25           HB2      ARG  25   0.386  -8.608 -11.190
  161    HB3  ARG  25           HB3      ARG  25  -1.351  -8.717 -10.935
  162    HG2  ARG  25           HG2      ARG  25  -1.207  -9.771 -13.390
  163    HG3  ARG  25           HG3      ARG  25   0.393 -10.209 -12.786
  164    HD2  ARG  25           HD2      ARG  25  -0.546 -11.374 -10.930
  165    HD3  ARG  25           HD3      ARG  25  -2.158 -10.754 -11.281
  166    HE   ARG  25           HE       ARG  25  -1.323 -12.163 -13.521
  167   HH11  ARG  25          HH11      ARG  25  -2.017 -12.801 -10.169
  168   HH12  ARG  25          HH12      ARG  25  -2.516 -14.436 -10.448
  169   HH21  ARG  25          HH21      ARG  25  -1.980 -14.314 -13.902
  170   HH22  ARG  25          HH22      ARG  25  -2.494 -15.296 -12.572
  171    H    GLY  26           H        GLY  26  -2.204  -5.432 -11.775
  172    HA2  GLY  26           HA2      GLY  26  -1.652  -4.028  -9.838
  173    HA3  GLY  26           HA3      GLY  26   0.027  -4.131 -10.341
  174    H    LYS  27           H        LYS  27  -0.622  -1.685  -9.953
  175    HA   LYS  27           HA       LYS  27  -0.671  -0.509 -12.585
  176    HB2  LYS  27           HB2      LYS  27  -3.121  -0.815 -11.511
  177    HB3  LYS  27           HB3      LYS  27  -2.677   0.721 -10.780
  178    HG2  LYS  27           HG2      LYS  27  -2.828   1.845 -12.722
  179    HG3  LYS  27           HG3      LYS  27  -2.182   0.504 -13.672
  180    HD2  LYS  27           HD2      LYS  27  -4.910   0.306 -12.461
  181    HD3  LYS  27           HD3      LYS  27  -4.671   1.209 -13.959
  182    HE2  LYS  27           HE2      LYS  27  -3.703  -1.615 -13.596
  183    HE3  LYS  27           HE3      LYS  27  -5.323  -1.238 -14.182
  184    HZ1  LYS  27           HZ1      LYS  27  -2.908  -1.288 -15.619
  185    HZ2  LYS  27           HZ2      LYS  27  -3.525   0.285 -15.662
  186    HZ3  LYS  27           HZ3      LYS  27  -4.473  -1.009 -16.198
  187    H    CYS  28           H        CYS  28   0.005   1.689 -12.602
  188    HA   CYS  28           HA       CYS  28   1.429   2.453 -10.148
  189    HB2  CYS  28           HB2      CYS  28   2.749   2.107 -12.256
  190    HB3  CYS  28           HB3      CYS  28   1.887   3.474 -12.956
  191    H    TYR  29           H        TYR  29   0.290   3.831  -8.950
  192    HA   TYR  29           HA       TYR  29  -0.976   6.119 -10.306
  193    HB2  TYR  29           HB2      TYR  29  -2.048   4.466  -8.020
  194    HB3  TYR  29           HB3      TYR  29  -2.674   6.061  -8.416
  195    HD1  TYR  29           HD1      TYR  29  -3.185   2.657  -8.879
  196    HD2  TYR  29           HD2      TYR  29  -3.267   6.329 -11.027
  197    HE1  TYR  29           HE1      TYR  29  -4.693   1.645 -10.537
  198    HE2  TYR  29           HE2      TYR  29  -4.775   5.327 -12.691
  199    HH   TYR  29           HH       TYR  29  -6.572   2.897 -12.318
  200    H    GLY  30           H        GLY  30   0.271   7.815  -9.839
  201    HA2  GLY  30           HA2      GLY  30   1.162   9.500  -8.532
  202    HA3  GLY  30           HA3      GLY  30   0.576   8.651  -7.110
  203    HA   PRO  31           HA       PRO  31   5.170   8.392  -7.000
  204    HB2  PRO  31           HB2      PRO  31   5.340   8.738  -4.312
  205    HB3  PRO  31           HB3      PRO  31   5.250  10.087  -5.451
  206    HG2  PRO  31           HG2      PRO  31   3.080   8.855  -3.797
  207    HG3  PRO  31           HG3      PRO  31   3.416  10.568  -4.104
  208    HD2  PRO  31           HD2      PRO  31   1.479   9.206  -5.417
  209    HD3  PRO  31           HD3      PRO  31   2.392  10.529  -6.169
  210    H    GLN  32           H        GLN  32   2.575   6.736  -5.410
  211    HA   GLN  32           HA       GLN  32   4.385   4.520  -4.714
  212    HB2  GLN  32           HB2      GLN  32   1.633   5.155  -3.635
  213    HB3  GLN  32           HB3      GLN  32   2.613   3.772  -3.167
  214    HG2  GLN  32           HG2      GLN  32   4.175   5.106  -2.056
  215    HG3  GLN  32           HG3      GLN  32   3.613   6.577  -2.848
  216   HE21  GLN  32          HE21      GLN  32   3.858   6.816  -0.269
  217   HE22  GLN  32          HE22      GLN  32   2.340   6.748   0.553
  218    H    CYS  33           H        CYS  33   3.729   2.370  -5.184
  219    HA   CYS  33           HA       CYS  33   2.141   2.196  -7.622
  220    HB2  CYS  33           HB2      CYS  33   4.257   1.091  -7.744
  221    HB3  CYS  33           HB3      CYS  33   3.976   0.249  -6.225
  222    H    LEU  34           H        LEU  34   0.061   1.696  -7.537
  223    HA   LEU  34           HA       LEU  34  -0.953   0.233  -5.198
  224    HB2  LEU  34           HB2      LEU  34  -2.619   1.709  -7.213
  225    HB3  LEU  34           HB3      LEU  34  -3.060   1.211  -5.580
  226    HG   LEU  34           HG       LEU  34  -1.132   3.414  -6.317
  227   HD11  LEU  34          HD11      LEU  34  -2.776   4.934  -5.646
  228   HD12  LEU  34          HD12      LEU  34  -3.750   3.682  -4.877
  229   HD13  LEU  34          HD13      LEU  34  -3.643   3.760  -6.635
  230   HD21  LEU  34          HD21      LEU  34  -0.972   3.865  -3.960
  231   HD22  LEU  34          HD22      LEU  34  -0.512   2.187  -4.253
  232   HD23  LEU  34          HD23      LEU  34  -2.105   2.564  -3.592
  233    H    CYS  35           H        CYS  35  -1.459  -1.831  -5.449
  234    HA   CYS  35           HA       CYS  35  -1.588  -3.005  -8.084
  235    HB2  CYS  35           HB2      CYS  35  -2.063  -4.362  -5.427
  236    HB3  CYS  35           HB3      CYS  35  -1.639  -5.126  -6.956
  237    H    ARG  36           H        ARG  36  -3.351  -4.221  -8.901
  238    HA   ARG  36           HA       ARG  36  -5.902  -3.024  -8.353
  239    HB2  ARG  36           HB2      ARG  36  -5.324  -5.395 -10.132
  240    HB3  ARG  36           HB3      ARG  36  -6.720  -4.327 -10.198
  241    HG2  ARG  36           HG2      ARG  36  -5.144  -2.460 -10.768
  242    HG3  ARG  36           HG3      ARG  36  -3.876  -3.679 -10.924
  243    HD2  ARG  36           HD2      ARG  36  -4.718  -3.292 -13.105
  244    HD3  ARG  36           HD3      ARG  36  -5.361  -4.849 -12.585
  245    HE   ARG  36           HE       ARG  36  -7.262  -2.970 -11.901
  246   HH11  ARG  36          HH11      ARG  36  -5.721  -4.087 -14.817
  247   HH12  ARG  36          HH12      ARG  36  -7.087  -3.743 -15.826
  248   HH21  ARG  36          HH21      ARG  36  -9.066  -2.513 -13.219
  249   HH22  ARG  36          HH22      ARG  36  -8.988  -2.845 -14.916
  Start of MODEL   10
    1    H    MET   1           H        MET   1   1.589  -0.467   0.554
    2    HA   MET   1           HA       MET   1   1.734   0.018  -2.338
    3    HB2  MET   1           HB2      MET   1   3.671   1.600  -1.823
    4    HB3  MET   1           HB3      MET   1   2.049   2.198  -1.504
    5    HG2  MET   1           HG2      MET   1   2.343   2.218   0.747
    6    HG3  MET   1           HG3      MET   1   3.483   0.874   0.723
    7    HE1  MET   1           HE1      MET   1   5.647   1.353  -1.045
    8    HE2  MET   1           HE2      MET   1   6.787   2.537  -0.406
    9    HE3  MET   1           HE3      MET   1   6.188   1.241   0.630
   10    H    CYS   2           H        CYS   2   2.624  -1.850  -2.994
   11    HA   CYS   2           HA       CYS   2   4.439  -3.403  -1.498
   12    HB2  CYS   2           HB2      CYS   2   2.988  -4.178  -3.426
   13    HB3  CYS   2           HB3      CYS   2   4.160  -3.429  -4.504
   14    H    MET   3           H        MET   3   4.892  -0.881  -3.908
   15    HA   MET   3           HA       MET   3   7.579  -0.427  -3.017
   16    HB2  MET   3           HB2      MET   3   8.778  -0.992  -4.960
   17    HB3  MET   3           HB3      MET   3   7.724  -2.371  -4.672
   18    HG2  MET   3           HG2      MET   3   6.177  -1.553  -6.364
   19    HG3  MET   3           HG3      MET   3   7.210  -0.154  -6.641
   20    HE1  MET   3           HE1      MET   3  10.286  -1.360  -8.256
   21    HE2  MET   3           HE2      MET   3   9.710  -0.513  -6.820
   22    HE3  MET   3           HE3      MET   3  10.350  -2.152  -6.680
   23    HA   PRO   4           HA       PRO   4   6.649   3.639  -4.387
   24    HB2  PRO   4           HB2      PRO   4   9.132   4.596  -4.929
   25    HB3  PRO   4           HB3      PRO   4   8.546   4.317  -3.283
   26    HG2  PRO   4           HG2      PRO   4  10.309   2.597  -4.985
   27    HG3  PRO   4           HG3      PRO   4  10.460   2.996  -3.264
   28    HD2  PRO   4           HD2      PRO   4   9.436   0.643  -4.130
   29    HD3  PRO   4           HD3      PRO   4   8.890   1.429  -2.635
   30    H    CYS   5           H        CYS   5   5.835   4.351  -6.248
   31    HA   CYS   5           HA       CYS   5   6.998   3.383  -8.763
   32    HB2  CYS   5           HB2      CYS   5   4.422   3.277  -7.960
   33    HB3  CYS   5           HB3      CYS   5   4.413   4.829  -8.791
   34    H    PHE   6           H        PHE   6   6.733   4.970 -10.639
   35    HA   PHE   6           HA       PHE   6   7.077   7.757  -9.855
   36    HB2  PHE   6           HB2      PHE   6   9.177   6.105 -11.250
   37    HB3  PHE   6           HB3      PHE   6   9.131   7.860 -11.384
   38    HD1  PHE   6           HD1      PHE   6   9.942   9.240  -9.656
   39    HD2  PHE   6           HD2      PHE   6   9.505   5.055  -9.014
   40    HE1  PHE   6           HE1      PHE   6  11.201   9.435  -7.551
   41    HE2  PHE   6           HE2      PHE   6  10.763   5.243  -6.908
   42    HZ   PHE   6           HZ       PHE   6  11.612   7.435  -6.173
   43    H    THR   7           H        THR   7   5.701   8.841 -11.085
   44    HA   THR   7           HA       THR   7   4.519   7.840 -13.433
   45    HB   THR   7           HB       THR   7   3.477   9.982 -13.691
   46    HG1  THR   7           HG1      THR   7   5.476  10.930 -11.892
   47   HG21  THR   7          HG21      THR   7   3.218   8.478 -11.456
   48   HG22  THR   7          HG22      THR   7   2.238   9.903 -11.801
   49   HG23  THR   7          HG23      THR   7   3.646  10.035 -10.749
   50    H    THR   8           H        THR   8   7.289   9.934 -12.897
   51    HA   THR   8           HA       THR   8   7.609  10.681 -15.634
   52    HB   THR   8           HB       THR   8   8.522  12.052 -13.799
   53    HG1  THR   8           HG1      THR   8   9.794  12.658 -15.372
   54   HG21  THR   8          HG21      THR   8   9.383   9.737 -12.695
   55   HG22  THR   8          HG22      THR   8  10.024  11.324 -12.273
   56   HG23  THR   8          HG23      THR   8  10.875  10.311 -13.439
   57    H    ASP   9           H        ASP   9   8.512   7.942 -13.745
   58    HA   ASP   9           HA       ASP   9  10.550   7.070 -15.624
   59    HB2  ASP   9           HB2      ASP   9   9.425   5.676 -13.185
   60    HB3  ASP   9           HB3      ASP   9  10.829   5.157 -14.114
   61    H    HIS  10           H        HIS  10  10.271   5.615 -17.208
   62    HA   HIS  10           HA       HIS  10   7.563   4.627 -17.670
   63    HB2  HIS  10           HB2      HIS  10   9.948   4.426 -19.514
   64    HB3  HIS  10           HB3      HIS  10   8.251   4.213 -19.935
   65    HD1  HIS  10           HD1      HIS  10  10.884   6.742 -19.686
   66    HD2  HIS  10           HD2      HIS  10   6.735   6.686 -19.867
   67    HE1  HIS  10           HE1      HIS  10  10.206   9.089 -20.278
   68    H    GLN  11           H        GLN  11  10.834   3.469 -17.114
   69    HA   GLN  11           HA       GLN  11  10.118   0.703 -17.505
   70    HB2  GLN  11           HB2      GLN  11  12.435   0.263 -16.700
   71    HB3  GLN  11           HB3      GLN  11  12.361   1.363 -18.070
   72    HG2  GLN  11           HG2      GLN  11  12.852   3.230 -16.736
   73    HG3  GLN  11           HG3      GLN  11  12.528   2.349 -15.244
   74   HE21  GLN  11          HE21      GLN  11  14.923   3.786 -16.540
   75   HE22  GLN  11          HE22      GLN  11  16.228   2.685 -16.281
   76    H    MET  12           H        MET  12   9.897   2.947 -14.973
   77    HA   MET  12           HA       MET  12  10.308   1.282 -12.735
   78    HB2  MET  12           HB2      MET  12  10.250   3.716 -12.549
   79    HB3  MET  12           HB3      MET  12   8.559   3.731 -13.032
   80    HG2  MET  12           HG2      MET  12   8.528   3.987 -10.714
   81    HG3  MET  12           HG3      MET  12   8.119   2.295 -10.988
   82    HE1  MET  12           HE1      MET  12   9.860   1.128  -8.109
   83    HE2  MET  12           HE2      MET  12   8.458   1.217  -9.174
   84    HE3  MET  12           HE3      MET  12   9.843   0.220  -9.621
   85    H    ALA  13           H        ALA  13   7.415   2.047 -14.627
   86    HA   ALA  13           HA       ALA  13   5.468   0.841 -13.089
   87    HB1  ALA  13           HB1      ALA  13   5.701   0.981 -16.090
   88    HB2  ALA  13           HB2      ALA  13   4.245   0.479 -15.230
   89    HB3  ALA  13           HB3      ALA  13   4.870   2.115 -15.025
   90    H    ARG  14           H        ARG  14   7.811  -0.645 -15.247
   91    HA   ARG  14           HA       ARG  14   6.761  -3.182 -15.528
   92    HB2  ARG  14           HB2      ARG  14   8.788  -2.427 -16.679
   93    HB3  ARG  14           HB3      ARG  14   9.662  -2.418 -15.154
   94    HG2  ARG  14           HG2      ARG  14  10.194  -4.389 -16.479
   95    HG3  ARG  14           HG3      ARG  14   9.397  -4.828 -14.967
   96    HD2  ARG  14           HD2      ARG  14   7.711  -4.417 -17.382
   97    HD3  ARG  14           HD3      ARG  14   8.679  -5.887 -17.282
   98    HE   ARG  14           HE       ARG  14   6.331  -5.258 -15.763
   99   HH11  ARG  14          HH11      ARG  14   9.296  -7.082 -15.792
  100   HH12  ARG  14          HH12      ARG  14   8.722  -8.280 -14.680
  101   HH21  ARG  14          HH21      ARG  14   5.563  -6.829 -14.299
  102   HH22  ARG  14          HH22      ARG  14   6.599  -8.136 -13.832
  103    H    LYS  15           H        LYS  15   8.887  -2.000 -12.928
  104    HA   LYS  15           HA       LYS  15   8.821  -4.429 -11.456
  105    HB2  LYS  15           HB2      LYS  15   9.520  -1.620 -10.583
  106    HB3  LYS  15           HB3      LYS  15   9.798  -3.066  -9.621
  107    HG2  LYS  15           HG2      LYS  15  11.482  -3.829 -11.020
  108    HG3  LYS  15           HG3      LYS  15  10.949  -2.826 -12.371
  109    HD2  LYS  15           HD2      LYS  15  11.924  -1.564  -9.836
  110    HD3  LYS  15           HD3      LYS  15  13.073  -2.148 -11.042
  111    HE2  LYS  15           HE2      LYS  15  11.361  -0.756 -12.607
  112    HE3  LYS  15           HE3      LYS  15  11.259   0.171 -11.111
  113    HZ1  LYS  15           HZ1      LYS  15  13.956  -0.447 -11.697
  114    HZ2  LYS  15           HZ2      LYS  15  13.225   1.069 -11.523
  115    HZ3  LYS  15           HZ3      LYS  15  13.242   0.305 -13.033
  116    H    CYS  16           H        CYS  16   6.972  -1.427 -11.307
  117    HA   CYS  16           HA       CYS  16   5.616  -1.744  -8.935
  118    HB2  CYS  16           HB2      CYS  16   5.266   0.279 -10.084
  119    HB3  CYS  16           HB3      CYS  16   4.788  -0.544 -11.565
  120    H    ASP  17           H        ASP  17   4.826  -3.136 -12.095
  121    HA   ASP  17           HA       ASP  17   2.459  -4.447 -11.180
  122    HB2  ASP  17           HB2      ASP  17   4.102  -5.120 -13.627
  123    HB3  ASP  17           HB3      ASP  17   2.404  -5.495 -13.348
  124    H    ASP  18           H        ASP  18   5.832  -5.368 -11.546
  125    HA   ASP  18           HA       ASP  18   5.534  -8.137 -11.169
  126    HB2  ASP  18           HB2      ASP  18   7.606  -6.775 -11.926
  127    HB3  ASP  18           HB3      ASP  18   7.940  -6.616 -10.203
  128    H    CYS  19           H        CYS  19   6.317  -5.566  -8.834
  129    HA   CYS  19           HA       CYS  19   6.526  -7.120  -6.552
  130    HB2  CYS  19           HB2      CYS  19   6.875  -4.549  -6.946
  131    HB3  CYS  19           HB3      CYS  19   5.201  -4.436  -6.415
  132    H    CYS  20           H        CYS  20   3.660  -5.911  -8.183
  133    HA   CYS  20           HA       CYS  20   1.814  -6.589  -6.133
  134    HB2  CYS  20           HB2      CYS  20   1.421  -6.149  -9.098
  135    HB3  CYS  20           HB3      CYS  20   0.106  -6.348  -7.944
  136    H    GLY  21           H        GLY  21   3.333  -8.368  -8.702
  137    HA2  GLY  21           HA2      GLY  21   2.888 -10.880  -7.720
  138    HA3  GLY  21           HA3      GLY  21   1.464 -10.548  -8.696
  139    H    GLY  22           H        GLY  22   1.937  -9.774 -10.966
  140    HA2  GLY  22           HA2      GLY  22   4.473 -10.727 -12.049
  141    HA3  GLY  22           HA3      GLY  22   3.030 -11.586 -12.567
  142    H    LYS  23           H        LYS  23   4.479 -10.489 -14.507
  143    HA   LYS  23           HA       LYS  23   4.121  -7.843 -15.204
  144    HB2  LYS  23           HB2      LYS  23   5.536  -9.451 -16.443
  145    HB3  LYS  23           HB3      LYS  23   4.086 -10.219 -17.076
  146    HG2  LYS  23           HG2      LYS  23   3.629  -8.496 -18.512
  147    HG3  LYS  23           HG3      LYS  23   4.464  -7.301 -17.516
  148    HD2  LYS  23           HD2      LYS  23   6.616  -8.232 -18.170
  149    HD3  LYS  23           HD3      LYS  23   5.803  -9.479 -19.121
  150    HE2  LYS  23           HE2      LYS  23   4.767  -7.649 -20.476
  151    HE3  LYS  23           HE3      LYS  23   5.789  -6.505 -19.608
  152    HZ1  LYS  23           HZ1      LYS  23   6.626  -7.340 -21.830
  153    HZ2  LYS  23           HZ2      LYS  23   6.922  -8.818 -21.062
  154    HZ3  LYS  23           HZ3      LYS  23   7.715  -7.419 -20.535
  155    H    GLY  24           H        GLY  24   2.351  -6.659 -15.458
  156    HA2  GLY  24           HA2      GLY  24   0.343  -6.179 -16.684
  157    HA3  GLY  24           HA3      GLY  24  -0.008  -7.901 -16.706
  158    H    ARG  25           H        ARG  25   0.842  -7.929 -13.763
  159    HA   ARG  25           HA       ARG  25  -1.814  -7.289 -12.744
  160    HB2  ARG  25           HB2      ARG  25   0.403  -8.593 -11.183
  161    HB3  ARG  25           HB3      ARG  25  -1.332  -8.707 -10.922
  162    HG2  ARG  25           HG2      ARG  25  -1.206  -9.763 -13.371
  163    HG3  ARG  25           HG3      ARG  25   0.409 -10.182 -12.793
  164    HD2  ARG  25           HD2      ARG  25  -0.407 -11.511 -11.083
  165    HD3  ARG  25           HD3      ARG  25  -1.975 -10.704 -11.070
  166    HE   ARG  25           HE       ARG  25  -2.700 -12.182 -12.655
  167   HH11  ARG  25          HH11      ARG  25   0.779 -12.246 -12.559
  168   HH12  ARG  25          HH12      ARG  25   0.915 -13.590 -13.643
  169   HH21  ARG  25          HH21      ARG  25  -2.535 -13.952 -14.084
  170   HH22  ARG  25          HH22      ARG  25  -0.970 -14.559 -14.512
  171    H    GLY  26           H        GLY  26  -2.195  -5.414 -11.775
  172    HA2  GLY  26           HA2      GLY  26  -1.672  -3.992  -9.854
  173    HA3  GLY  26           HA3      GLY  26   0.021  -4.130 -10.303
  174    H    LYS  27           H        LYS  27  -0.853  -1.657  -9.902
  175    HA   LYS  27           HA       LYS  27  -0.749  -0.508 -12.574
  176    HB2  LYS  27           HB2      LYS  27  -3.059  -0.252 -10.716
  177    HB3  LYS  27           HB3      LYS  27  -2.567   1.188 -11.600
  178    HG2  LYS  27           HG2      LYS  27  -3.071   0.245 -13.662
  179    HG3  LYS  27           HG3      LYS  27  -3.034  -1.401 -13.026
  180    HD2  LYS  27           HD2      LYS  27  -5.149  -1.266 -12.175
  181    HD3  LYS  27           HD3      LYS  27  -5.041   0.474 -11.895
  182    HE2  LYS  27           HE2      LYS  27  -5.052   0.691 -14.448
  183    HE3  LYS  27           HE3      LYS  27  -5.594  -0.987 -14.460
  184    HZ1  LYS  27           HZ1      LYS  27  -6.975   1.187 -12.986
  185    HZ2  LYS  27           HZ2      LYS  27  -7.527  -0.395 -13.225
  186    HZ3  LYS  27           HZ3      LYS  27  -7.416   0.669 -14.535
  187    H    CYS  28           H        CYS  28  -0.096   1.721 -12.589
  188    HA   CYS  28           HA       CYS  28   1.373   2.460 -10.149
  189    HB2  CYS  28           HB2      CYS  28   2.697   2.070 -12.239
  190    HB3  CYS  28           HB3      CYS  28   1.853   3.431 -12.972
  191    H    TYR  29           H        TYR  29   0.254   3.869  -8.967
  192    HA   TYR  29           HA       TYR  29  -0.928   6.189 -10.339
  193    HB2  TYR  29           HB2      TYR  29  -2.121   4.625  -8.042
  194    HB3  TYR  29           HB3      TYR  29  -2.735   6.173  -8.612
  195    HD1  TYR  29           HD1      TYR  29  -3.471   2.873  -8.665
  196    HD2  TYR  29           HD2      TYR  29  -2.879   6.068 -11.412
  197    HE1  TYR  29           HE1      TYR  29  -4.865   1.701 -10.320
  198    HE2  TYR  29           HE2      TYR  29  -4.271   4.907 -13.074
  199    HH   TYR  29           HH       TYR  29  -5.095   2.757 -13.606
  200    H    GLY  30           H        GLY  30   0.293   7.875  -9.795
  201    HA2  GLY  30           HA2      GLY  30   1.147   9.525  -8.413
  202    HA3  GLY  30           HA3      GLY  30   0.572   8.611  -7.027
  203    HA   PRO  31           HA       PRO  31   5.182   8.405  -6.980
  204    HB2  PRO  31           HB2      PRO  31   5.389   8.746  -4.295
  205    HB3  PRO  31           HB3      PRO  31   5.278  10.098  -5.429
  206    HG2  PRO  31           HG2      PRO  31   3.135   8.856  -3.747
  207    HG3  PRO  31           HG3      PRO  31   3.463  10.572  -4.056
  208    HD2  PRO  31           HD2      PRO  31   1.511   9.207  -5.343
  209    HD3  PRO  31           HD3      PRO  31   2.410  10.533  -6.106
  210    H    GLN  32           H        GLN  32   2.608   6.724  -5.400
  211    HA   GLN  32           HA       GLN  32   4.434   4.509  -4.742
  212    HB2  GLN  32           HB2      GLN  32   1.737   5.188  -3.557
  213    HB3  GLN  32           HB3      GLN  32   2.678   3.759  -3.154
  214    HG2  GLN  32           HG2      GLN  32   4.406   5.080  -2.180
  215    HG3  GLN  32           HG3      GLN  32   3.666   6.571  -2.762
  216   HE21  GLN  32          HE21      GLN  32   4.335   6.096  -0.090
  217   HE22  GLN  32          HE22      GLN  32   2.878   6.045   0.838
  218    H    CYS  33           H        CYS  33   3.810   2.383  -5.259
  219    HA   CYS  33           HA       CYS  33   2.139   2.221  -7.630
  220    HB2  CYS  33           HB2      CYS  33   4.245   1.084  -7.773
  221    HB3  CYS  33           HB3      CYS  33   3.953   0.231  -6.260
  222    H    LEU  34           H        LEU  34   0.097   1.560  -7.625
  223    HA   LEU  34           HA       LEU  34  -0.921   0.193  -5.224
  224    HB2  LEU  34           HB2      LEU  34  -2.600   1.653  -7.238
  225    HB3  LEU  34           HB3      LEU  34  -3.027   1.175  -5.596
  226    HG   LEU  34           HG       LEU  34  -1.162   3.397  -6.422
  227   HD11  LEU  34          HD11      LEU  34  -2.779   4.869  -5.568
  228   HD12  LEU  34          HD12      LEU  34  -3.672   3.567  -4.781
  229   HD13  LEU  34          HD13      LEU  34  -3.683   3.707  -6.539
  230   HD21  LEU  34          HD21      LEU  34  -0.210   2.383  -4.482
  231   HD22  LEU  34          HD22      LEU  34  -1.785   2.274  -3.696
  232   HD23  LEU  34          HD23      LEU  34  -1.041   3.850  -3.967
  233    H    CYS  35           H        CYS  35  -1.462  -1.866  -5.446
  234    HA   CYS  35           HA       CYS  35  -1.618  -3.058  -8.078
  235    HB2  CYS  35           HB2      CYS  35  -2.055  -4.424  -5.421
  236    HB3  CYS  35           HB3      CYS  35  -1.607  -5.169  -6.952
  237    H    ARG  36           H        ARG  36  -3.423  -3.481  -9.167
  238    HA   ARG  36           HA       ARG  36  -5.927  -2.553  -8.429
  239    HB2  ARG  36           HB2      ARG  36  -6.785  -4.104 -10.237
  240    HB3  ARG  36           HB3      ARG  36  -5.525  -2.980 -10.726
  241    HG2  ARG  36           HG2      ARG  36  -4.279  -4.657 -11.445
  242    HG3  ARG  36           HG3      ARG  36  -4.290  -5.381  -9.835
  243    HD2  ARG  36           HD2      ARG  36  -6.736  -5.727 -11.458
  244    HD3  ARG  36           HD3      ARG  36  -5.299  -6.588 -12.011
  245    HE   ARG  36           HE       ARG  36  -5.450  -7.138  -9.339
  246   HH11  ARG  36          HH11      ARG  36  -7.588  -7.505 -12.063
  247   HH12  ARG  36          HH12      ARG  36  -8.383  -8.902 -11.416
  248   HH21  ARG  36          HH21      ARG  36  -6.489  -8.976  -8.477
  249   HH22  ARG  36          HH22      ARG  36  -7.758  -9.738  -9.376
  Start of MODEL   11
    1    H    MET   1           H        MET   1   1.341  -1.042   0.453
    2    HA   MET   1           HA       MET   1   1.623  -0.170  -2.262
    3    HB2  MET   1           HB2      MET   1   3.567   1.381  -1.684
    4    HB3  MET   1           HB3      MET   1   1.945   1.997  -1.398
    5    HG2  MET   1           HG2      MET   1   2.169   1.936   0.875
    6    HG3  MET   1           HG3      MET   1   3.365   0.642   0.832
    7    HE1  MET   1           HE1      MET   1   6.640   2.470  -0.103
    8    HE2  MET   1           HE2      MET   1   5.879   0.952   0.373
    9    HE3  MET   1           HE3      MET   1   5.543   1.647  -1.212
   10    H    CYS   2           H        CYS   2   2.760  -1.768  -3.121
   11    HA   CYS   2           HA       CYS   2   4.462  -3.444  -1.528
   12    HB2  CYS   2           HB2      CYS   2   3.024  -4.223  -3.462
   13    HB3  CYS   2           HB3      CYS   2   4.191  -3.460  -4.535
   14    H    MET   3           H        MET   3   4.907  -0.903  -3.915
   15    HA   MET   3           HA       MET   3   7.587  -0.438  -3.016
   16    HB2  MET   3           HB2      MET   3   8.797  -0.984  -4.960
   17    HB3  MET   3           HB3      MET   3   7.756  -2.374  -4.677
   18    HG2  MET   3           HG2      MET   3   6.203  -1.568  -6.370
   19    HG3  MET   3           HG3      MET   3   7.223  -0.157  -6.642
   20    HE1  MET   3           HE1      MET   3  10.325  -2.031  -6.554
   21    HE2  MET   3           HE2      MET   3  10.372  -1.482  -8.229
   22    HE3  MET   3           HE3      MET   3   9.726  -0.425  -6.973
   23    HA   PRO   4           HA       PRO   4   6.637   3.626  -4.373
   24    HB2  PRO   4           HB2      PRO   4   9.115   4.602  -4.900
   25    HB3  PRO   4           HB3      PRO   4   8.526   4.312  -3.259
   26    HG2  PRO   4           HG2      PRO   4  10.307   2.610  -4.961
   27    HG3  PRO   4           HG3      PRO   4  10.448   3.003  -3.238
   28    HD2  PRO   4           HD2      PRO   4   9.442   0.648  -4.117
   29    HD3  PRO   4           HD3      PRO   4   8.886   1.425  -2.621
   30    H    CYS   5           H        CYS   5   5.828   4.344  -6.234
   31    HA   CYS   5           HA       CYS   5   7.005   3.392  -8.748
   32    HB2  CYS   5           HB2      CYS   5   4.430   3.261  -7.960
   33    HB3  CYS   5           HB3      CYS   5   4.410   4.824  -8.770
   34    H    PHE   6           H        PHE   6   6.775   4.975 -10.616
   35    HA   PHE   6           HA       PHE   6   7.073   7.767  -9.830
   36    HB2  PHE   6           HB2      PHE   6   9.220   6.130 -11.167
   37    HB3  PHE   6           HB3      PHE   6   9.157   7.883 -11.325
   38    HD1  PHE   6           HD1      PHE   6   9.939   9.288  -9.609
   39    HD2  PHE   6           HD2      PHE   6   9.487   5.116  -8.899
   40    HE1  PHE   6           HE1      PHE   6  11.151   9.523  -7.482
   41    HE2  PHE   6           HE2      PHE   6  10.697   5.344  -6.770
   42    HZ   PHE   6           HZ       PHE   6  11.533   7.549  -6.059
   43    H    THR   7           H        THR   7   5.782   8.889 -11.113
   44    HA   THR   7           HA       THR   7   4.617   7.864 -13.466
   45    HB   THR   7           HB       THR   7   3.512   9.590 -12.128
   46    HG1  THR   7           HG1      THR   7   2.673   9.729 -14.101
   47   HG21  THR   7          HG21      THR   7   5.568  11.518 -13.208
   48   HG22  THR   7          HG22      THR   7   5.611  10.847 -11.578
   49   HG23  THR   7          HG23      THR   7   4.260  11.864 -12.077
   50    H    THR   8           H        THR   8   7.389   9.955 -12.902
   51    HA   THR   8           HA       THR   8   7.769  10.672 -15.636
   52    HB   THR   8           HB       THR   8   8.672  12.035 -13.787
   53    HG1  THR   8           HG1      THR   8   9.672  12.224 -15.815
   54   HG21  THR   8          HG21      THR   8   9.656   9.573 -12.861
   55   HG22  THR   8          HG22      THR   8   9.906  11.166 -12.146
   56   HG23  THR   8          HG23      THR   8  11.073  10.524 -13.303
   57    H    ASP   9           H        ASP   9   8.579   7.919 -13.736
   58    HA   ASP   9           HA       ASP   9  10.650   7.014 -15.564
   59    HB2  ASP   9           HB2      ASP   9   9.437   5.717 -13.113
   60    HB3  ASP   9           HB3      ASP   9  10.762   5.038 -14.054
   61    H    HIS  10           H        HIS  10  10.380   5.584 -17.170
   62    HA   HIS  10           HA       HIS  10   7.667   4.644 -17.705
   63    HB2  HIS  10           HB2      HIS  10  10.118   4.489 -19.469
   64    HB3  HIS  10           HB3      HIS  10   8.455   4.174 -19.954
   65    HD1  HIS  10           HD1      HIS  10   7.038   6.618 -18.829
   66    HD2  HIS  10           HD2      HIS  10  10.702   6.791 -20.777
   67    HE1  HIS  10           HE1      HIS  10   7.237   8.977 -19.677
   68    H    GLN  11           H        GLN  11  10.902   3.425 -17.075
   69    HA   GLN  11           HA       GLN  11  10.150   0.675 -17.506
   70    HB2  GLN  11           HB2      GLN  11  12.436   0.184 -16.661
   71    HB3  GLN  11           HB3      GLN  11  12.419   1.315 -18.007
   72    HG2  GLN  11           HG2      GLN  11  12.882   3.150 -16.602
   73    HG3  GLN  11           HG3      GLN  11  12.548   2.212 -15.147
   74   HE21  GLN  11          HE21      GLN  11  14.344   1.880 -14.065
   75   HE22  GLN  11          HE22      GLN  11  15.882   1.471 -14.736
   76    H    MET  12           H        MET  12   9.902   2.902 -14.964
   77    HA   MET  12           HA       MET  12  10.218   1.197 -12.735
   78    HB2  MET  12           HB2      MET  12  10.235   3.643 -12.548
   79    HB3  MET  12           HB3      MET  12   8.541   3.697 -13.014
   80    HG2  MET  12           HG2      MET  12   8.407   3.888 -10.734
   81    HG3  MET  12           HG3      MET  12   8.190   2.154 -10.963
   82    HE1  MET  12           HE1      MET  12  10.138   1.213  -8.079
   83    HE2  MET  12           HE2      MET  12   8.635   1.247  -9.001
   84    HE3  MET  12           HE3      MET  12  10.015   0.322  -9.597
   85    H    ALA  13           H        ALA  13   7.448   2.002 -14.763
   86    HA   ALA  13           HA       ALA  13   5.381   0.921 -13.287
   87    HB1  ALA  13           HB1      ALA  13   5.657   1.962 -15.821
   88    HB2  ALA  13           HB2      ALA  13   5.140   0.301 -16.118
   89    HB3  ALA  13           HB3      ALA  13   4.162   1.359 -15.103
   90    H    ARG  14           H        ARG  14   7.775  -0.715 -15.276
   91    HA   ARG  14           HA       ARG  14   6.620  -3.235 -15.466
   92    HB2  ARG  14           HB2      ARG  14   9.209  -2.072 -15.895
   93    HB3  ARG  14           HB3      ARG  14   9.394  -3.620 -15.081
   94    HG2  ARG  14           HG2      ARG  14   8.646  -4.804 -16.860
   95    HG3  ARG  14           HG3      ARG  14   7.544  -3.530 -17.386
   96    HD2  ARG  14           HD2      ARG  14   9.034  -3.047 -18.970
   97    HD3  ARG  14           HD3      ARG  14  10.063  -2.415 -17.685
   98    HE   ARG  14           HE       ARG  14  11.418  -4.254 -17.900
   99   HH11  ARG  14          HH11      ARG  14   8.429  -4.807 -19.599
  100   HH12  ARG  14          HH12      ARG  14   8.980  -6.262 -20.362
  101   HH21  ARG  14          HH21      ARG  14  12.154  -6.168 -18.898
  102   HH22  ARG  14          HH22      ARG  14  11.099  -7.036 -19.962
  103    H    LYS  15           H        LYS  15   8.949  -2.101 -13.014
  104    HA   LYS  15           HA       LYS  15   8.851  -4.407 -11.418
  105    HB2  LYS  15           HB2      LYS  15   9.466  -1.561 -10.601
  106    HB3  LYS  15           HB3      LYS  15   9.836  -2.995  -9.652
  107    HG2  LYS  15           HG2      LYS  15  11.462  -3.721 -11.188
  108    HG3  LYS  15           HG3      LYS  15  10.913  -2.586 -12.424
  109    HD2  LYS  15           HD2      LYS  15  11.868  -1.513  -9.812
  110    HD3  LYS  15           HD3      LYS  15  13.060  -2.095 -10.977
  111    HE2  LYS  15           HE2      LYS  15  11.355  -0.563 -12.511
  112    HE3  LYS  15           HE3      LYS  15  11.456   0.334 -10.997
  113    HZ1  LYS  15           HZ1      LYS  15  13.653   0.760 -11.285
  114    HZ2  LYS  15           HZ2      LYS  15  13.203   0.666 -12.913
  115    HZ3  LYS  15           HZ3      LYS  15  13.948  -0.655 -12.165
  116    H    CYS  16           H        CYS  16   6.970  -1.414 -11.321
  117    HA   CYS  16           HA       CYS  16   5.615  -1.721  -8.946
  118    HB2  CYS  16           HB2      CYS  16   5.265   0.294 -10.118
  119    HB3  CYS  16           HB3      CYS  16   4.773  -0.545 -11.585
  120    H    ASP  17           H        ASP  17   4.783  -3.094 -12.110
  121    HA   ASP  17           HA       ASP  17   2.441  -4.424 -11.173
  122    HB2  ASP  17           HB2      ASP  17   4.066  -5.077 -13.637
  123    HB3  ASP  17           HB3      ASP  17   2.375  -5.474 -13.343
  124    H    ASP  18           H        ASP  18   5.810  -5.347 -11.601
  125    HA   ASP  18           HA       ASP  18   5.527  -8.113 -11.221
  126    HB2  ASP  18           HB2      ASP  18   7.584  -6.868 -12.037
  127    HB3  ASP  18           HB3      ASP  18   7.911  -6.480 -10.351
  128    H    CYS  19           H        CYS  19   6.332  -5.555  -8.877
  129    HA   CYS  19           HA       CYS  19   6.555  -7.121  -6.606
  130    HB2  CYS  19           HB2      CYS  19   6.909  -4.552  -6.985
  131    HB3  CYS  19           HB3      CYS  19   5.237  -4.435  -6.447
  132    H    CYS  20           H        CYS  20   3.675  -5.878  -8.193
  133    HA   CYS  20           HA       CYS  20   1.841  -6.555  -6.140
  134    HB2  CYS  20           HB2      CYS  20   1.438  -6.142  -9.109
  135    HB3  CYS  20           HB3      CYS  20   0.125  -6.339  -7.952
  136    H    GLY  21           H        GLY  21   3.350  -8.362  -8.695
  137    HA2  GLY  21           HA2      GLY  21   2.897 -10.863  -7.679
  138    HA3  GLY  21           HA3      GLY  21   1.483 -10.540  -8.670
  139    H    GLY  22           H        GLY  22   2.044  -9.696 -10.938
  140    HA2  GLY  22           HA2      GLY  22   4.548 -10.794 -11.969
  141    HA3  GLY  22           HA3      GLY  22   3.060 -11.516 -12.563
  142    H    LYS  23           H        LYS  23   4.100 -10.737 -14.625
  143    HA   LYS  23           HA       LYS  23   4.164  -7.951 -15.196
  144    HB2  LYS  23           HB2      LYS  23   5.367  -9.883 -16.412
  145    HB3  LYS  23           HB3      LYS  23   3.850 -10.108 -17.271
  146    HG2  LYS  23           HG2      LYS  23   3.982  -7.746 -18.017
  147    HG3  LYS  23           HG3      LYS  23   5.573  -7.641 -17.260
  148    HD2  LYS  23           HD2      LYS  23   4.931  -9.755 -19.296
  149    HD3  LYS  23           HD3      LYS  23   5.471  -8.144 -19.774
  150    HE2  LYS  23           HE2      LYS  23   7.569  -8.429 -18.832
  151    HE3  LYS  23           HE3      LYS  23   7.018  -9.704 -17.745
  152    HZ1  LYS  23           HZ1      LYS  23   6.854 -10.243 -20.606
  153    HZ2  LYS  23           HZ2      LYS  23   7.246 -11.282 -19.330
  154    HZ3  LYS  23           HZ3      LYS  23   8.404 -10.203 -19.928
  155    H    GLY  24           H        GLY  24   2.460  -6.661 -15.373
  156    HA2  GLY  24           HA2      GLY  24   0.504  -5.994 -16.591
  157    HA3  GLY  24           HA3      GLY  24   0.057  -7.688 -16.726
  158    H    ARG  25           H        ARG  25   0.846  -7.946 -13.778
  159    HA   ARG  25           HA       ARG  25  -1.799  -7.323 -12.764
  160    HB2  ARG  25           HB2      ARG  25   0.445  -8.578 -11.200
  161    HB3  ARG  25           HB3      ARG  25  -1.286  -8.732 -10.937
  162    HG2  ARG  25           HG2      ARG  25  -1.152  -9.774 -13.385
  163    HG3  ARG  25           HG3      ARG  25   0.482 -10.149 -12.834
  164    HD2  ARG  25           HD2      ARG  25  -0.239 -11.723 -11.411
  165    HD3  ARG  25           HD3      ARG  25  -1.583 -10.728 -10.853
  166    HE   ARG  25           HE       ARG  25  -1.670 -12.777 -12.846
  167   HH11  ARG  25          HH11      ARG  25  -3.119  -9.790 -11.798
  168   HH12  ARG  25          HH12      ARG  25  -4.646 -10.115 -12.551
  169   HH21  ARG  25          HH21      ARG  25  -3.675 -13.216 -13.841
  170   HH22  ARG  25          HH22      ARG  25  -4.961 -12.065 -13.712
  171    H    GLY  26           H        GLY  26  -2.257  -5.485 -11.758
  172    HA2  GLY  26           HA2      GLY  26  -1.799  -4.063  -9.824
  173    HA3  GLY  26           HA3      GLY  26  -0.098  -4.137 -10.261
  174    H    LYS  27           H        LYS  27  -0.702  -1.709  -9.920
  175    HA   LYS  27           HA       LYS  27  -0.747  -0.540 -12.555
  176    HB2  LYS  27           HB2      LYS  27  -3.142  -0.608 -10.954
  177    HB3  LYS  27           HB3      LYS  27  -2.613   1.054 -11.172
  178    HG2  LYS  27           HG2      LYS  27  -2.861  -0.836 -13.486
  179    HG3  LYS  27           HG3      LYS  27  -4.237   0.090 -12.882
  180    HD2  LYS  27           HD2      LYS  27  -3.532   1.659 -14.330
  181    HD3  LYS  27           HD3      LYS  27  -2.337   2.026 -13.085
  182    HE2  LYS  27           HE2      LYS  27  -0.678   0.729 -14.168
  183    HE3  LYS  27           HE3      LYS  27  -1.858  -0.000 -15.256
  184    HZ1  LYS  27           HZ1      LYS  27  -1.503   1.629 -16.689
  185    HZ2  LYS  27           HZ2      LYS  27  -0.345   2.309 -15.661
  186    HZ3  LYS  27           HZ3      LYS  27  -1.963   2.789 -15.547
  187    H    CYS  28           H        CYS  28  -0.092   1.682 -12.565
  188    HA   CYS  28           HA       CYS  28   1.360   2.429 -10.119
  189    HB2  CYS  28           HB2      CYS  28   2.713   2.053 -12.177
  190    HB3  CYS  28           HB3      CYS  28   1.841   3.372 -12.952
  191    H    TYR  29           H        TYR  29   0.228   3.830  -8.940
  192    HA   TYR  29           HA       TYR  29  -0.968   6.141 -10.315
  193    HB2  TYR  29           HB2      TYR  29  -2.141   4.652  -7.957
  194    HB3  TYR  29           HB3      TYR  29  -2.801   6.123  -8.664
  195    HD1  TYR  29           HD1      TYR  29  -3.793   3.049  -8.347
  196    HD2  TYR  29           HD2      TYR  29  -2.510   5.533 -11.553
  197    HE1  TYR  29           HE1      TYR  29  -5.115   1.694  -9.918
  198    HE2  TYR  29           HE2      TYR  29  -3.829   4.187 -13.133
  199    HH   TYR  29           HH       TYR  29  -6.159   2.495 -12.611
  200    H    GLY  30           H        GLY  30   0.255   7.832  -9.786
  201    HA2  GLY  30           HA2      GLY  30   1.103   9.494  -8.415
  202    HA3  GLY  30           HA3      GLY  30   0.534   8.586  -7.022
  203    HA   PRO  31           HA       PRO  31   5.142   8.398  -6.977
  204    HB2  PRO  31           HB2      PRO  31   5.349   8.744  -4.293
  205    HB3  PRO  31           HB3      PRO  31   5.232  10.093  -5.429
  206    HG2  PRO  31           HG2      PRO  31   3.095   8.844  -3.744
  207    HG3  PRO  31           HG3      PRO  31   3.415  10.560  -4.056
  208    HD2  PRO  31           HD2      PRO  31   1.468   9.184  -5.340
  209    HD3  PRO  31           HD3      PRO  31   2.361  10.513  -6.106
  210    H    GLN  32           H        GLN  32   2.578   6.710  -5.384
  211    HA   GLN  32           HA       GLN  32   4.415   4.502  -4.732
  212    HB2  GLN  32           HB2      GLN  32   1.713   5.144  -3.540
  213    HB3  GLN  32           HB3      GLN  32   2.702   3.752  -3.118
  214    HG2  GLN  32           HG2      GLN  32   4.334   5.086  -2.089
  215    HG3  GLN  32           HG3      GLN  32   3.703   6.563  -2.818
  216   HE21  GLN  32          HE21      GLN  32   2.135   3.910  -1.067
  217   HE22  GLN  32          HE22      GLN  32   1.428   4.904   0.155
  218    H    CYS  33           H        CYS  33   3.846   2.393  -5.299
  219    HA   CYS  33           HA       CYS  33   2.155   2.215  -7.646
  220    HB2  CYS  33           HB2      CYS  33   4.263   1.072  -7.769
  221    HB3  CYS  33           HB3      CYS  33   3.953   0.222  -6.259
  222    H    LEU  34           H        LEU  34   0.086   1.667  -7.586
  223    HA   LEU  34           HA       LEU  34  -0.932   0.264  -5.209
  224    HB2  LEU  34           HB2      LEU  34  -2.561   1.802  -7.214
  225    HB3  LEU  34           HB3      LEU  34  -3.049   1.253  -5.611
  226    HG   LEU  34           HG       LEU  34  -1.129   3.484  -6.267
  227   HD11  LEU  34          HD11      LEU  34  -3.512   3.837  -4.554
  228   HD12  LEU  34          HD12      LEU  34  -3.793   3.613  -6.280
  229   HD13  LEU  34          HD13      LEU  34  -2.774   4.937  -5.718
  230   HD21  LEU  34          HD21      LEU  34  -1.792   2.145  -3.662
  231   HD22  LEU  34          HD22      LEU  34  -1.195   3.803  -3.741
  232   HD23  LEU  34          HD23      LEU  34  -0.206   2.478  -4.358
  233    H    CYS  35           H        CYS  35  -1.364  -1.814  -5.476
  234    HA   CYS  35           HA       CYS  35  -1.584  -2.978  -8.100
  235    HB2  CYS  35           HB2      CYS  35  -2.048  -4.343  -5.446
  236    HB3  CYS  35           HB3      CYS  35  -1.619  -5.096  -6.979
  237    H    ARG  36           H        ARG  36  -3.396  -3.127  -9.226
  238    HA   ARG  36           HA       ARG  36  -5.895  -2.283  -8.397
  239    HB2  ARG  36           HB2      ARG  36  -5.302  -4.343 -10.530
  240    HB3  ARG  36           HB3      ARG  36  -6.783  -3.406 -10.381
  241    HG2  ARG  36           HG2      ARG  36  -5.005  -1.405 -10.491
  242    HG3  ARG  36           HG3      ARG  36  -4.138  -2.626 -11.425
  243    HD2  ARG  36           HD2      ARG  36  -6.872  -2.609 -12.234
  244    HD3  ARG  36           HD3      ARG  36  -6.262  -0.956 -12.259
  245    HE   ARG  36           HE       ARG  36  -4.938  -1.506 -14.043
  246   HH11  ARG  36          HH11      ARG  36  -6.087  -4.422 -12.527
  247   HH12  ARG  36          HH12      ARG  36  -5.480  -5.463 -13.772
  248   HH21  ARG  36          HH21      ARG  36  -4.135  -2.867 -15.689
  249   HH22  ARG  36          HH22      ARG  36  -4.370  -4.578 -15.570
  Start of MODEL   12
    1    H    MET   1           H        MET   1   1.162   0.661   0.142
    2    HA   MET   1           HA       MET   1   1.812   0.058  -2.432
    3    HB2  MET   1           HB2      MET   1   3.763   1.683  -2.116
    4    HB3  MET   1           HB3      MET   1   2.150   2.282  -1.747
    5    HG2  MET   1           HG2      MET   1   2.554   2.403   0.494
    6    HG3  MET   1           HG3      MET   1   3.747   1.108   0.461
    7    HE1  MET   1           HE1      MET   1   6.202   1.695  -1.155
    8    HE2  MET   1           HE2      MET   1   7.046   2.738  -0.010
    9    HE3  MET   1           HE3      MET   1   6.083   1.381   0.577
   10    H    CYS   2           H        CYS   2   2.562  -1.977  -2.855
   11    HA   CYS   2           HA       CYS   2   4.463  -3.429  -1.478
   12    HB2  CYS   2           HB2      CYS   2   3.013  -4.219  -3.394
   13    HB3  CYS   2           HB3      CYS   2   4.168  -3.459  -4.484
   14    H    MET   3           H        MET   3   4.917  -0.899  -3.873
   15    HA   MET   3           HA       MET   3   7.611  -0.464  -2.995
   16    HB2  MET   3           HB2      MET   3   8.799  -1.020  -4.948
   17    HB3  MET   3           HB3      MET   3   7.743  -2.398  -4.662
   18    HG2  MET   3           HG2      MET   3   6.190  -1.573  -6.343
   19    HG3  MET   3           HG3      MET   3   7.217  -0.167  -6.613
   20    HE1  MET   3           HE1      MET   3  10.364  -2.133  -6.681
   21    HE2  MET   3           HE2      MET   3  10.288  -1.353  -8.261
   22    HE3  MET   3           HE3      MET   3   9.713  -0.500  -6.828
   23    HA   PRO   4           HA       PRO   4   6.696   3.614  -4.336
   24    HB2  PRO   4           HB2      PRO   4   9.179   4.562  -4.887
   25    HB3  PRO   4           HB3      PRO   4   8.603   4.276  -3.241
   26    HG2  PRO   4           HG2      PRO   4  10.346   2.557  -4.963
   27    HG3  PRO   4           HG3      PRO   4  10.510   2.945  -3.241
   28    HD2  PRO   4           HD2      PRO   4   9.468   0.603  -4.114
   29    HD3  PRO   4           HD3      PRO   4   8.936   1.383  -2.610
   30    H    CYS   5           H        CYS   5   5.872   4.340  -6.187
   31    HA   CYS   5           HA       CYS   5   7.013   3.380  -8.715
   32    HB2  CYS   5           HB2      CYS   5   4.440   3.294  -7.891
   33    HB3  CYS   5           HB3      CYS   5   4.440   4.845  -8.724
   34    H    PHE   6           H        PHE   6   6.756   4.977 -10.579
   35    HA   PHE   6           HA       PHE   6   7.119   7.759  -9.785
   36    HB2  PHE   6           HB2      PHE   6   9.204   6.098 -11.188
   37    HB3  PHE   6           HB3      PHE   6   9.168   7.853 -11.324
   38    HD1  PHE   6           HD1      PHE   6  10.006   9.227  -9.607
   39    HD2  PHE   6           HD2      PHE   6   9.517   5.051  -8.942
   40    HE1  PHE   6           HE1      PHE   6  11.271   9.416  -7.506
   41    HE2  PHE   6           HE2      PHE   6  10.782   5.234  -6.841
   42    HZ   PHE   6           HZ       PHE   6  11.663   7.419  -6.120
   43    H    THR   7           H        THR   7   5.914   8.976 -11.068
   44    HA   THR   7           HA       THR   7   4.651   7.961 -13.397
   45    HB   THR   7           HB       THR   7   3.590   9.683 -12.017
   46    HG1  THR   7           HG1      THR   7   2.835  10.904 -13.751
   47   HG21  THR   7          HG21      THR   7   5.367  11.791 -13.150
   48   HG22  THR   7          HG22      THR   7   5.928  10.877 -11.751
   49   HG23  THR   7          HG23      THR   7   4.424  11.793 -11.661
   50    H    THR   8           H        THR   8   7.457  10.010 -12.851
   51    HA   THR   8           HA       THR   8   7.801  10.762 -15.580
   52    HB   THR   8           HB       THR   8   8.768  12.143 -13.843
   53    HG1  THR   8           HG1      THR   8  10.006  12.377 -15.608
   54   HG21  THR   8          HG21      THR   8  11.016  10.470 -13.121
   55   HG22  THR   8          HG22      THR   8   9.486   9.722 -12.662
   56   HG23  THR   8          HG23      THR   8   9.886  11.340 -12.085
   57    H    ASP   9           H        ASP   9   8.607   7.972 -13.734
   58    HA   ASP   9           HA       ASP   9  10.618   7.065 -15.634
   59    HB2  ASP   9           HB2      ASP   9   9.501   5.772 -13.137
   60    HB3  ASP   9           HB3      ASP   9  10.786   5.090 -14.130
   61    H    HIS  10           H        HIS  10  10.276   5.635 -17.227
   62    HA   HIS  10           HA       HIS  10   7.540   4.707 -17.648
   63    HB2  HIS  10           HB2      HIS  10   9.950   4.999 -19.415
   64    HB3  HIS  10           HB3      HIS  10   8.609   3.969 -19.907
   65    HD1  HIS  10           HD1      HIS  10   6.530   5.104 -20.795
   66    HD2  HIS  10           HD2      HIS  10   9.298   7.778 -19.229
   67    HE1  HIS  10           HE1      HIS  10   5.704   7.388 -21.450
   68    H    GLN  11           H        GLN  11  10.792   3.480 -17.147
   69    HA   GLN  11           HA       GLN  11  10.020   0.732 -17.558
   70    HB2  GLN  11           HB2      GLN  11  12.341   0.249 -16.756
   71    HB3  GLN  11           HB3      GLN  11  12.267   1.330 -18.142
   72    HG2  GLN  11           HG2      GLN  11  12.977   3.144 -16.946
   73    HG3  GLN  11           HG3      GLN  11  12.367   2.513 -15.417
   74   HE21  GLN  11          HE21      GLN  11  14.863   2.055 -17.864
   75   HE22  GLN  11          HE22      GLN  11  16.055   1.414 -16.788
   76    H    MET  12           H        MET  12   9.865   2.952 -15.001
   77    HA   MET  12           HA       MET  12  10.276   1.278 -12.779
   78    HB2  MET  12           HB2      MET  12  10.210   3.713 -12.586
   79    HB3  MET  12           HB3      MET  12   8.514   3.720 -13.050
   80    HG2  MET  12           HG2      MET  12   8.478   3.958 -10.740
   81    HG3  MET  12           HG3      MET  12   8.127   2.251 -11.004
   82    HE1  MET  12           HE1      MET  12  10.165   0.990  -8.244
   83    HE2  MET  12           HE2      MET  12   8.562   1.385  -8.865
   84    HE3  MET  12           HE3      MET  12   9.616   0.297  -9.770
   85    H    ALA  13           H        ALA  13   7.381   2.022 -14.669
   86    HA   ALA  13           HA       ALA  13   5.436   0.822 -13.126
   87    HB1  ALA  13           HB1      ALA  13   5.580   0.743 -16.137
   88    HB2  ALA  13           HB2      ALA  13   4.131   0.593 -15.142
   89    HB3  ALA  13           HB3      ALA  13   5.016   2.118 -15.187
   90    H    ARG  14           H        ARG  14   7.784  -0.673 -15.272
   91    HA   ARG  14           HA       ARG  14   6.742  -3.217 -15.526
   92    HB2  ARG  14           HB2      ARG  14   8.916  -2.166 -16.493
   93    HB3  ARG  14           HB3      ARG  14   9.675  -2.805 -15.040
   94    HG2  ARG  14           HG2      ARG  14  10.040  -4.500 -16.543
   95    HG3  ARG  14           HG3      ARG  14   8.550  -5.037 -15.763
   96    HD2  ARG  14           HD2      ARG  14   8.070  -5.337 -18.006
   97    HD3  ARG  14           HD3      ARG  14   7.376  -3.749 -17.679
   98    HE   ARG  14           HE       ARG  14  10.066  -3.563 -18.600
   99   HH11  ARG  14          HH11      ARG  14   6.780  -4.046 -19.644
  100   HH12  ARG  14          HH12      ARG  14   7.057  -3.422 -21.237
  101   HH21  ARG  14          HH21      ARG  14  10.444  -2.741 -20.693
  102   HH22  ARG  14          HH22      ARG  14   9.141  -2.682 -21.833
  103    H    LYS  15           H        LYS  15   8.874  -1.995 -12.950
  104    HA   LYS  15           HA       LYS  15   8.838  -4.411 -11.455
  105    HB2  LYS  15           HB2      LYS  15   9.521  -1.588 -10.618
  106    HB3  LYS  15           HB3      LYS  15   9.810  -3.018  -9.638
  107    HG2  LYS  15           HG2      LYS  15  11.488  -3.797 -11.040
  108    HG3  LYS  15           HG3      LYS  15  10.953  -2.799 -12.395
  109    HD2  LYS  15           HD2      LYS  15  11.936  -1.532  -9.865
  110    HD3  LYS  15           HD3      LYS  15  13.079  -2.115 -11.077
  111    HE2  LYS  15           HE2      LYS  15  11.353  -0.725 -12.631
  112    HE3  LYS  15           HE3      LYS  15  11.265   0.204 -11.135
  113    HZ1  LYS  15           HZ1      LYS  15  13.922  -0.203 -11.453
  114    HZ2  LYS  15           HZ2      LYS  15  13.092   1.205 -11.885
  115    HZ3  LYS  15           HZ3      LYS  15  13.399   0.016 -13.048
  116    H    CYS  16           H        CYS  16   6.974  -1.416 -11.312
  117    HA   CYS  16           HA       CYS  16   5.631  -1.733  -8.932
  118    HB2  CYS  16           HB2      CYS  16   5.283   0.286 -10.101
  119    HB3  CYS  16           HB3      CYS  16   4.765  -0.551 -11.561
  120    H    ASP  17           H        ASP  17   4.791  -3.101 -12.095
  121    HA   ASP  17           HA       ASP  17   2.446  -4.425 -11.165
  122    HB2  ASP  17           HB2      ASP  17   4.089  -5.070 -13.620
  123    HB3  ASP  17           HB3      ASP  17   2.405  -5.500 -13.332
  124    H    ASP  18           H        ASP  18   5.815  -5.355 -11.563
  125    HA   ASP  18           HA       ASP  18   5.525  -8.120 -11.178
  126    HB2  ASP  18           HB2      ASP  18   7.591  -6.852 -11.972
  127    HB3  ASP  18           HB3      ASP  18   7.909  -6.508 -10.274
  128    H    CYS  19           H        CYS  19   6.312  -5.555  -8.835
  129    HA   CYS  19           HA       CYS  19   6.514  -7.118  -6.558
  130    HB2  CYS  19           HB2      CYS  19   6.865  -4.542  -6.953
  131    HB3  CYS  19           HB3      CYS  19   5.197  -4.433  -6.400
  132    H    CYS  20           H        CYS  20   3.654  -5.891  -8.187
  133    HA   CYS  20           HA       CYS  20   1.801  -6.556  -6.142
  134    HB2  CYS  20           HB2      CYS  20   1.417  -6.139  -9.113
  135    HB3  CYS  20           HB3      CYS  20   0.098  -6.323  -7.960
  136    H    GLY  21           H        GLY  21   3.322  -8.359  -8.693
  137    HA2  GLY  21           HA2      GLY  21   2.868 -10.862  -7.693
  138    HA3  GLY  21           HA3      GLY  21   1.448 -10.533  -8.675
  139    H    GLY  22           H        GLY  22   1.929  -9.777 -10.951
  140    HA2  GLY  22           HA2      GLY  22   4.464 -10.746 -12.018
  141    HA3  GLY  22           HA3      GLY  22   3.020 -11.604 -12.535
  142    H    LYS  23           H        LYS  23   4.476 -10.529 -14.479
  143    HA   LYS  23           HA       LYS  23   4.132  -7.885 -15.196
  144    HB2  LYS  23           HB2      LYS  23   5.546  -9.496 -16.423
  145    HB3  LYS  23           HB3      LYS  23   4.099 -10.281 -17.043
  146    HG2  LYS  23           HG2      LYS  23   3.498  -8.319 -18.286
  147    HG3  LYS  23           HG3      LYS  23   4.820  -7.404 -17.559
  148    HD2  LYS  23           HD2      LYS  23   5.594  -8.027 -19.694
  149    HD3  LYS  23           HD3      LYS  23   6.374  -9.146 -18.573
  150    HE2  LYS  23           HE2      LYS  23   5.571 -10.368 -20.488
  151    HE3  LYS  23           HE3      LYS  23   4.617 -10.811 -19.073
  152    HZ1  LYS  23           HZ1      LYS  23   3.740  -8.753 -21.016
  153    HZ2  LYS  23           HZ2      LYS  23   2.817  -9.508 -19.818
  154    HZ3  LYS  23           HZ3      LYS  23   3.332 -10.387 -21.168
  155    H    GLY  24           H        GLY  24   2.367  -6.695 -15.463
  156    HA2  GLY  24           HA2      GLY  24   0.365  -6.217 -16.697
  157    HA3  GLY  24           HA3      GLY  24   0.007  -7.937 -16.708
  158    H    ARG  25           H        ARG  25   0.848  -7.948 -13.763
  159    HA   ARG  25           HA       ARG  25  -1.807  -7.287 -12.755
  160    HB2  ARG  25           HB2      ARG  25   0.396  -8.598 -11.179
  161    HB3  ARG  25           HB3      ARG  25  -1.342  -8.701 -10.925
  162    HG2  ARG  25           HG2      ARG  25  -1.204  -9.766 -13.373
  163    HG3  ARG  25           HG3      ARG  25   0.399 -10.200 -12.777
  164    HD2  ARG  25           HD2      ARG  25  -0.645 -11.214 -10.788
  165    HD3  ARG  25           HD3      ARG  25  -2.234 -10.825 -11.446
  166    HE   ARG  25           HE       ARG  25  -0.778 -12.328 -13.328
  167   HH11  ARG  25          HH11      ARG  25  -2.375 -12.666 -10.254
  168   HH12  ARG  25          HH12      ARG  25  -2.746 -14.343 -10.483
  169   HH21  ARG  25          HH21      ARG  25  -1.261 -14.536 -13.642
  170   HH22  ARG  25          HH22      ARG  25  -2.110 -15.406 -12.411
  171    H    GLY  26           H        GLY  26  -2.183  -5.415 -11.779
  172    HA2  GLY  26           HA2      GLY  26  -1.624  -4.008  -9.843
  173    HA3  GLY  26           HA3      GLY  26   0.055  -4.115 -10.352
  174    H    LYS  27           H        LYS  27  -0.605  -1.666  -9.965
  175    HA   LYS  27           HA       LYS  27  -0.651  -0.496 -12.600
  176    HB2  LYS  27           HB2      LYS  27  -3.101  -0.808 -11.563
  177    HB3  LYS  27           HB3      LYS  27  -2.671   0.707 -10.782
  178    HG2  LYS  27           HG2      LYS  27  -2.831   1.884 -12.686
  179    HG3  LYS  27           HG3      LYS  27  -2.127   0.596 -13.666
  180    HD2  LYS  27           HD2      LYS  27  -4.881   0.297 -12.531
  181    HD3  LYS  27           HD3      LYS  27  -4.622   1.242 -14.000
  182    HE2  LYS  27           HE2      LYS  27  -3.336  -0.822 -14.841
  183    HE3  LYS  27           HE3      LYS  27  -4.133  -1.680 -13.524
  184    HZ1  LYS  27           HZ1      LYS  27  -5.655  -0.091 -15.500
  185    HZ2  LYS  27           HZ2      LYS  27  -6.229  -1.285 -14.449
  186    HZ3  LYS  27           HZ3      LYS  27  -5.265  -1.716 -15.772
  187    H    CYS  28           H        CYS  28   0.030   1.697 -12.621
  188    HA   CYS  28           HA       CYS  28   1.445   2.472 -10.166
  189    HB2  CYS  28           HB2      CYS  28   2.755   2.126 -12.289
  190    HB3  CYS  28           HB3      CYS  28   1.903   3.508 -12.967
  191    H    TYR  29           H        TYR  29   0.304   3.850  -8.971
  192    HA   TYR  29           HA       TYR  29  -0.959   6.138 -10.327
  193    HB2  TYR  29           HB2      TYR  29  -2.052   4.472  -8.061
  194    HB3  TYR  29           HB3      TYR  29  -2.675   6.070  -8.454
  195    HD1  TYR  29           HD1      TYR  29  -3.154   2.659  -8.958
  196    HD2  TYR  29           HD2      TYR  29  -3.269   6.361 -11.051
  197    HE1  TYR  29           HE1      TYR  29  -4.645   1.656 -10.637
  198    HE2  TYR  29           HE2      TYR  29  -4.761   5.369 -12.736
  199    HH   TYR  29           HH       TYR  29  -6.537   3.128 -12.528
  200    H    GLY  30           H        GLY  30   0.295   7.826  -9.841
  201    HA2  GLY  30           HA2      GLY  30   1.172   9.505  -8.516
  202    HA3  GLY  30           HA3      GLY  30   0.567   8.651  -7.104
  203    HA   PRO  31           HA       PRO  31   5.160   8.381  -6.943
  204    HB2  PRO  31           HB2      PRO  31   5.300   8.726  -4.253
  205    HB3  PRO  31           HB3      PRO  31   5.227  10.076  -5.393
  206    HG2  PRO  31           HG2      PRO  31   3.035   8.852  -3.764
  207    HG3  PRO  31           HG3      PRO  31   3.380  10.564  -4.068
  208    HD2  PRO  31           HD2      PRO  31   1.453   9.208  -5.401
  209    HD3  PRO  31           HD3      PRO  31   2.380  10.528  -6.144
  210    H    GLN  32           H        GLN  32   2.543   6.736  -5.375
  211    HA   GLN  32           HA       GLN  32   4.336   4.515  -4.661
  212    HB2  GLN  32           HB2      GLN  32   1.593   5.211  -3.602
  213    HB3  GLN  32           HB3      GLN  32   2.495   3.767  -3.162
  214    HG2  GLN  32           HG2      GLN  32   4.231   5.106  -2.158
  215    HG3  GLN  32           HG3      GLN  32   3.434   6.586  -2.689
  216   HE21  GLN  32          HE21      GLN  32   3.535   7.137  -0.409
  217   HE22  GLN  32          HE22      GLN  32   2.297   6.566   0.651
  218    H    CYS  33           H        CYS  33   3.712   2.376  -5.169
  219    HA   CYS  33           HA       CYS  33   2.140   2.205  -7.614
  220    HB2  CYS  33           HB2      CYS  33   4.260   1.099  -7.709
  221    HB3  CYS  33           HB3      CYS  33   3.953   0.249  -6.198
  222    H    LEU  34           H        LEU  34   0.057   1.717  -7.547
  223    HA   LEU  34           HA       LEU  34  -0.991   0.265  -5.220
  224    HB2  LEU  34           HB2      LEU  34  -2.629   1.698  -7.286
  225    HB3  LEU  34           HB3      LEU  34  -3.093   1.228  -5.652
  226    HG   LEU  34           HG       LEU  34  -1.198   3.444  -6.426
  227   HD11  LEU  34          HD11      LEU  34  -3.799   3.652  -4.940
  228   HD12  LEU  34          HD12      LEU  34  -3.705   3.762  -6.698
  229   HD13  LEU  34          HD13      LEU  34  -2.855   4.937  -5.694
  230   HD21  LEU  34          HD21      LEU  34  -2.071   2.559  -3.679
  231   HD22  LEU  34          HD22      LEU  34  -1.026   3.928  -4.060
  232   HD23  LEU  34          HD23      LEU  34  -0.477   2.281  -4.378
  233    H    CYS  35           H        CYS  35  -1.476  -1.807  -5.450
  234    HA   CYS  35           HA       CYS  35  -1.564  -3.011  -8.076
  235    HB2  CYS  35           HB2      CYS  35  -2.021  -4.336  -5.398
  236    HB3  CYS  35           HB3      CYS  35  -1.608  -5.125  -6.917
  237    H    ARG  36           H        ARG  36  -3.307  -4.251  -8.893
  238    HA   ARG  36           HA       ARG  36  -5.889  -3.116  -8.273
  239    HB2  ARG  36           HB2      ARG  36  -4.989  -5.141 -10.324
  240    HB3  ARG  36           HB3      ARG  36  -6.656  -4.604 -10.158
  241    HG2  ARG  36           HG2      ARG  36  -5.603  -2.226 -10.416
  242    HG3  ARG  36           HG3      ARG  36  -4.274  -3.121 -11.155
  243    HD2  ARG  36           HD2      ARG  36  -7.166  -3.305 -11.994
  244    HD3  ARG  36           HD3      ARG  36  -5.943  -2.321 -12.797
  245    HE   ARG  36           HE       ARG  36  -4.983  -4.931 -12.697
  246   HH11  ARG  36          HH11      ARG  36  -7.603  -3.165 -14.158
  247   HH12  ARG  36          HH12      ARG  36  -7.718  -4.214 -15.532
  248   HH21  ARG  36          HH21      ARG  36  -5.123  -6.320 -14.501
  249   HH22  ARG  36          HH22      ARG  36  -6.308  -6.010 -15.725
  Start of MODEL   13
    1    H    MET   1           H        MET   1   1.049   0.903   0.365
    2    HA   MET   1           HA       MET   1   1.414  -0.214  -2.025
    3    HB2  MET   1           HB2      MET   1   3.296   1.341  -2.437
    4    HB3  MET   1           HB3      MET   1   1.937   2.116  -1.635
    5    HG2  MET   1           HG2      MET   1   3.569   2.954  -0.335
    6    HG3  MET   1           HG3      MET   1   3.358   1.425   0.515
    7    HE1  MET   1           HE1      MET   1   5.546   3.679   0.136
    8    HE2  MET   1           HE2      MET   1   7.134   2.936  -0.057
    9    HE3  MET   1           HE3      MET   1   6.271   3.551  -1.468
   10    H    CYS   2           H        CYS   2   2.758  -1.592  -3.080
   11    HA   CYS   2           HA       CYS   2   4.399  -3.327  -1.466
   12    HB2  CYS   2           HB2      CYS   2   2.921  -4.101  -3.365
   13    HB3  CYS   2           HB3      CYS   2   4.079  -3.367  -4.469
   14    H    MET   3           H        MET   3   4.890  -0.816  -3.873
   15    HA   MET   3           HA       MET   3   7.597  -0.434  -3.017
   16    HB2  MET   3           HB2      MET   3   8.764  -1.038  -4.962
   17    HB3  MET   3           HB3      MET   3   7.664  -2.382  -4.682
   18    HG2  MET   3           HG2      MET   3   6.142  -1.503  -6.365
   19    HG3  MET   3           HG3      MET   3   7.217  -0.131  -6.630
   20    HE1  MET   3           HE1      MET   3  10.265  -2.150  -6.618
   21    HE2  MET   3           HE2      MET   3  10.282  -1.506  -8.260
   22    HE3  MET   3           HE3      MET   3   9.699  -0.507  -6.927
   23    HA   PRO   4           HA       PRO   4   6.763   3.654  -4.380
   24    HB2  PRO   4           HB2      PRO   4   9.261   4.542  -4.967
   25    HB3  PRO   4           HB3      PRO   4   8.699   4.280  -3.311
   26    HG2  PRO   4           HG2      PRO   4  10.383   2.510  -5.041
   27    HG3  PRO   4           HG3      PRO   4  10.575   2.906  -3.324
   28    HD2  PRO   4           HD2      PRO   4   9.469   0.582  -4.169
   29    HD3  PRO   4           HD3      PRO   4   8.973   1.385  -2.665
   30    H    CYS   5           H        CYS   5   5.933   4.382  -6.227
   31    HA   CYS   5           HA       CYS   5   7.054   3.406  -8.762
   32    HB2  CYS   5           HB2      CYS   5   4.492   3.270  -7.926
   33    HB3  CYS   5           HB3      CYS   5   4.455   4.827  -8.744
   34    H    PHE   6           H        PHE   6   6.790   4.982 -10.627
   35    HA   PHE   6           HA       PHE   6   7.086   7.778  -9.853
   36    HB2  PHE   6           HB2      PHE   6   9.215   6.172 -11.265
   37    HB3  PHE   6           HB3      PHE   6   9.152   7.931 -11.334
   38    HD1  PHE   6           HD1      PHE   6   9.893   9.258  -9.522
   39    HD2  PHE   6           HD2      PHE   6   9.587   5.035  -9.096
   40    HE1  PHE   6           HE1      PHE   6  11.138   9.385  -7.405
   41    HE2  PHE   6           HE2      PHE   6  10.832   5.155  -6.977
   42    HZ   PHE   6           HZ       PHE   6  11.611   7.332  -6.130
   43    H    THR   7           H        THR   7   5.645   8.787 -11.076
   44    HA   THR   7           HA       THR   7   4.512   7.774 -13.430
   45    HB   THR   7           HB       THR   7   3.495   9.957 -13.736
   46    HG1  THR   7           HG1      THR   7   5.399  10.801 -11.791
   47   HG21  THR   7          HG21      THR   7   2.101   9.513 -12.054
   48   HG22  THR   7          HG22      THR   7   3.281  10.083 -10.875
   49   HG23  THR   7          HG23      THR   7   3.302   8.401 -11.403
   50    H    THR   8           H        THR   8   7.247   9.916 -12.898
   51    HA   THR   8           HA       THR   8   7.566  10.663 -15.632
   52    HB   THR   8           HB       THR   8   8.473  12.043 -13.812
   53    HG1  THR   8           HG1      THR   8  10.161  12.630 -15.017
   54   HG21  THR   8          HG21      THR   8   9.233   9.863 -12.552
   55   HG22  THR   8          HG22      THR   8  10.122  11.373 -12.350
   56   HG23  THR   8          HG23      THR   8  10.732  10.128 -13.441
   57    H    ASP   9           H        ASP   9   8.486   7.924 -13.754
   58    HA   ASP   9           HA       ASP   9  10.529   7.070 -15.636
   59    HB2  ASP   9           HB2      ASP   9   9.409   5.681 -13.193
   60    HB3  ASP   9           HB3      ASP   9  10.792   5.135 -14.136
   61    H    HIS  10           H        HIS  10  10.270   5.599 -17.213
   62    HA   HIS  10           HA       HIS  10   7.564   4.617 -17.702
   63    HB2  HIS  10           HB2      HIS  10   9.979   5.088 -19.379
   64    HB3  HIS  10           HB3      HIS  10   8.869   3.820 -19.891
   65    HD1  HIS  10           HD1      HIS  10   7.512   4.776 -21.721
   66    HD2  HIS  10           HD2      HIS  10   8.023   7.476 -18.606
   67    HE1  HIS  10           HE1      HIS  10   6.142   6.790 -22.346
   68    H    GLN  11           H        GLN  11  10.823   3.450 -17.105
   69    HA   GLN  11           HA       GLN  11  10.102   0.684 -17.491
   70    HB2  GLN  11           HB2      GLN  11  12.380   0.186 -16.853
   71    HB3  GLN  11           HB3      GLN  11  12.376   1.529 -17.989
   72    HG2  GLN  11           HG2      GLN  11  12.327   2.913 -15.711
   73    HG3  GLN  11           HG3      GLN  11  13.131   1.455 -15.134
   74   HE21  GLN  11          HE21      GLN  11  15.248   1.372 -15.357
   75   HE22  GLN  11          HE22      GLN  11  16.194   2.332 -16.437
   76    H    MET  12           H        MET  12   9.860   2.940 -14.972
   77    HA   MET  12           HA       MET  12  10.237   1.279 -12.724
   78    HB2  MET  12           HB2      MET  12  10.194   3.720 -12.560
   79    HB3  MET  12           HB3      MET  12   8.500   3.734 -13.034
   80    HG2  MET  12           HG2      MET  12   8.604   4.027 -10.682
   81    HG3  MET  12           HG3      MET  12   7.987   2.407 -10.997
   82    HE1  MET  12           HE1      MET  12   8.516   0.632 -10.086
   83    HE2  MET  12           HE2      MET  12  10.087   0.018  -9.569
   84    HE3  MET  12           HE3      MET  12   9.086   0.937  -8.444
   85    H    ALA  13           H        ALA  13   7.376   2.055 -14.657
   86    HA   ALA  13           HA       ALA  13   5.400   0.876 -13.136
   87    HB1  ALA  13           HB1      ALA  13   4.908   2.165 -15.127
   88    HB2  ALA  13           HB2      ALA  13   5.637   0.919 -16.141
   89    HB3  ALA  13           HB3      ALA  13   4.162   0.571 -15.239
   90    H    ARG  14           H        ARG  14   7.754  -0.643 -15.258
   91    HA   ARG  14           HA       ARG  14   6.674  -3.176 -15.517
   92    HB2  ARG  14           HB2      ARG  14   8.889  -2.112 -16.445
   93    HB3  ARG  14           HB3      ARG  14   9.610  -2.862 -15.027
   94    HG2  ARG  14           HG2      ARG  14   7.880  -4.517 -16.793
   95    HG3  ARG  14           HG3      ARG  14   9.513  -4.113 -17.329
   96    HD2  ARG  14           HD2      ARG  14   8.866  -5.364 -14.664
   97    HD3  ARG  14           HD3      ARG  14   9.331  -6.278 -16.097
   98    HE   ARG  14           HE       ARG  14  11.219  -4.235 -15.461
   99   HH11  ARG  14          HH11      ARG  14  10.183  -7.457 -14.646
  100   HH12  ARG  14          HH12      ARG  14  11.734  -7.945 -14.046
  101   HH21  ARG  14          HH21      ARG  14  13.266  -4.865 -14.674
  102   HH22  ARG  14          HH22      ARG  14  13.485  -6.469 -14.061
  103    H    LYS  15           H        LYS  15   8.919  -2.044 -12.988
  104    HA   LYS  15           HA       LYS  15   8.846  -4.432 -11.482
  105    HB2  LYS  15           HB2      LYS  15   9.546  -1.601 -10.689
  106    HB3  LYS  15           HB3      LYS  15   9.770  -2.995  -9.640
  107    HG2  LYS  15           HG2      LYS  15  11.500  -3.839 -10.902
  108    HG3  LYS  15           HG3      LYS  15  10.986  -2.994 -12.364
  109    HD2  LYS  15           HD2      LYS  15  11.942  -1.487  -9.952
  110    HD3  LYS  15           HD3      LYS  15  13.082  -2.146 -11.127
  111    HE2  LYS  15           HE2      LYS  15  11.333  -0.914 -12.775
  112    HE3  LYS  15           HE3      LYS  15  11.214   0.123 -11.354
  113    HZ1  LYS  15           HZ1      LYS  15  13.645   0.350 -11.406
  114    HZ2  LYS  15           HZ2      LYS  15  12.919   0.937 -12.817
  115    HZ3  LYS  15           HZ3      LYS  15  13.699  -0.565 -12.829
  116    H    CYS  16           H        CYS  16   6.978  -1.436 -11.305
  117    HA   CYS  16           HA       CYS  16   5.633  -1.790  -8.930
  118    HB2  CYS  16           HB2      CYS  16   5.292   0.249 -10.070
  119    HB3  CYS  16           HB3      CYS  16   4.769  -0.564 -11.541
  120    H    ASP  17           H        ASP  17   4.868  -3.168 -12.099
  121    HA   ASP  17           HA       ASP  17   2.484  -4.469 -11.225
  122    HB2  ASP  17           HB2      ASP  17   4.171  -5.187 -13.627
  123    HB3  ASP  17           HB3      ASP  17   2.457  -5.514 -13.386
  124    H    ASP  18           H        ASP  18   5.861  -5.401 -11.505
  125    HA   ASP  18           HA       ASP  18   5.538  -8.169 -11.109
  126    HB2  ASP  18           HB2      ASP  18   7.629  -6.845 -11.859
  127    HB3  ASP  18           HB3      ASP  18   7.938  -6.639 -10.138
  128    H    CYS  19           H        CYS  19   6.284  -5.569  -8.796
  129    HA   CYS  19           HA       CYS  19   6.465  -7.090  -6.489
  130    HB2  CYS  19           HB2      CYS  19   6.798  -4.519  -6.922
  131    HB3  CYS  19           HB3      CYS  19   5.121  -4.417  -6.398
  132    H    CYS  20           H        CYS  20   3.621  -5.933  -8.192
  133    HA   CYS  20           HA       CYS  20   1.750  -6.603  -6.152
  134    HB2  CYS  20           HB2      CYS  20   1.389  -6.160  -9.123
  135    HB3  CYS  20           HB3      CYS  20   0.063  -6.363  -7.982
  136    H    GLY  21           H        GLY  21   3.303  -8.372  -8.709
  137    HA2  GLY  21           HA2      GLY  21   2.854 -10.888  -7.737
  138    HA3  GLY  21           HA3      GLY  21   1.442 -10.558  -8.729
  139    H    GLY  22           H        GLY  22   1.940  -9.777 -10.993
  140    HA2  GLY  22           HA2      GLY  22   4.491 -10.721 -12.046
  141    HA3  GLY  22           HA3      GLY  22   3.058 -11.584 -12.584
  142    H    LYS  23           H        LYS  23   4.524 -10.480 -14.505
  143    HA   LYS  23           HA       LYS  23   4.170  -7.833 -15.201
  144    HB2  LYS  23           HB2      LYS  23   5.605  -9.417 -16.432
  145    HB3  LYS  23           HB3      LYS  23   4.171 -10.215 -17.065
  146    HG2  LYS  23           HG2      LYS  23   4.773  -8.851 -18.814
  147    HG3  LYS  23           HG3      LYS  23   3.577  -7.859 -17.977
  148    HD2  LYS  23           HD2      LYS  23   5.314  -6.365 -18.361
  149    HD3  LYS  23           HD3      LYS  23   5.613  -6.896 -16.704
  150    HE2  LYS  23           HE2      LYS  23   7.706  -6.958 -17.793
  151    HE3  LYS  23           HE3      LYS  23   7.168  -8.634 -17.682
  152    HZ1  LYS  23           HZ1      LYS  23   7.323  -8.803 -19.869
  153    HZ2  LYS  23           HZ2      LYS  23   7.880  -7.209 -19.970
  154    HZ3  LYS  23           HZ3      LYS  23   6.224  -7.535 -20.086
  155    H    GLY  24           H        GLY  24   2.402  -6.650 -15.474
  156    HA2  GLY  24           HA2      GLY  24   0.407  -6.172 -16.720
  157    HA3  GLY  24           HA3      GLY  24   0.059  -7.894 -16.748
  158    H    ARG  25           H        ARG  25   0.876  -7.925 -13.797
  159    HA   ARG  25           HA       ARG  25  -1.791  -7.281 -12.805
  160    HB2  ARG  25           HB2      ARG  25   0.399  -8.605 -11.223
  161    HB3  ARG  25           HB3      ARG  25  -1.340  -8.714 -10.988
  162    HG2  ARG  25           HG2      ARG  25  -1.172  -9.752 -13.446
  163    HG3  ARG  25           HG3      ARG  25   0.424 -10.191 -12.835
  164    HD2  ARG  25           HD2      ARG  25  -0.954 -10.972 -10.739
  165    HD3  ARG  25           HD3      ARG  25  -2.274 -11.049 -11.904
  166    HE   ARG  25           HE       ARG  25   0.013 -12.379 -12.907
  167   HH11  ARG  25          HH11      ARG  25  -2.562 -12.718 -10.590
  168   HH12  ARG  25          HH12      ARG  25  -2.550 -14.450 -10.635
  169   HH21  ARG  25          HH21      ARG  25   0.040 -14.658 -12.976
  170   HH22  ARG  25          HH22      ARG  25  -1.070 -15.553 -11.993
  171    H    GLY  26           H        GLY  26  -2.178  -5.420 -11.815
  172    HA2  GLY  26           HA2      GLY  26  -1.629  -4.038  -9.853
  173    HA3  GLY  26           HA3      GLY  26   0.050  -4.126 -10.365
  174    H    LYS  27           H        LYS  27  -0.603  -1.688  -9.954
  175    HA   LYS  27           HA       LYS  27  -0.682  -0.489 -12.575
  176    HB2  LYS  27           HB2      LYS  27  -3.119  -0.811 -11.485
  177    HB3  LYS  27           HB3      LYS  27  -2.673   0.713 -10.731
  178    HG2  LYS  27           HG2      LYS  27  -2.851   1.868 -12.650
  179    HG3  LYS  27           HG3      LYS  27  -2.197   0.552 -13.629
  180    HD2  LYS  27           HD2      LYS  27  -4.356  -0.631 -13.415
  181    HD3  LYS  27           HD3      LYS  27  -4.999   0.748 -12.519
  182    HE2  LYS  27           HE2      LYS  27  -5.731   1.039 -14.739
  183    HE3  LYS  27           HE3      LYS  27  -4.385   2.159 -14.535
  184    HZ1  LYS  27           HZ1      LYS  27  -4.666   0.191 -16.466
  185    HZ2  LYS  27           HZ2      LYS  27  -3.428  -0.338 -15.442
  186    HZ3  LYS  27           HZ3      LYS  27  -3.318   1.175 -16.189
  187    H    CYS  28           H        CYS  28  -0.002   1.706 -12.580
  188    HA   CYS  28           HA       CYS  28   1.436   2.456 -10.131
  189    HB2  CYS  28           HB2      CYS  28   2.754   2.121 -12.234
  190    HB3  CYS  28           HB3      CYS  28   1.880   3.475 -12.943
  191    H    TYR  29           H        TYR  29   0.301   3.829  -8.922
  192    HA   TYR  29           HA       TYR  29  -0.972   6.122 -10.261
  193    HB2  TYR  29           HB2      TYR  29  -2.026   4.453  -7.980
  194    HB3  TYR  29           HB3      TYR  29  -2.650   6.058  -8.347
  195    HD1  TYR  29           HD1      TYR  29  -3.101   2.634  -8.907
  196    HD2  TYR  29           HD2      TYR  29  -3.348   6.390 -10.891
  197    HE1  TYR  29           HE1      TYR  29  -4.631   1.652 -10.564
  198    HE2  TYR  29           HE2      TYR  29  -4.880   5.419 -12.551
  199    HH   TYR  29           HH       TYR  29  -5.852   3.559 -13.295
  200    H    GLY  30           H        GLY  30   0.231   7.843  -9.786
  201    HA2  GLY  30           HA2      GLY  30   1.148   9.515  -8.485
  202    HA3  GLY  30           HA3      GLY  30   0.572   8.660  -7.062
  203    HA   PRO  31           HA       PRO  31   5.165   8.410  -6.975
  204    HB2  PRO  31           HB2      PRO  31   5.348   8.736  -4.286
  205    HB3  PRO  31           HB3      PRO  31   5.248  10.093  -5.414
  206    HG2  PRO  31           HG2      PRO  31   3.089   8.843  -3.760
  207    HG3  PRO  31           HG3      PRO  31   3.419  10.560  -4.056
  208    HD2  PRO  31           HD2      PRO  31   1.479   9.201  -5.370
  209    HD3  PRO  31           HD3      PRO  31   2.386  10.532  -6.116
  210    H    GLN  32           H        GLN  32   2.582   6.731  -5.393
  211    HA   GLN  32           HA       GLN  32   4.401   4.524  -4.699
  212    HB2  GLN  32           HB2      GLN  32   1.624   5.119  -3.661
  213    HB3  GLN  32           HB3      GLN  32   2.617   3.748  -3.183
  214    HG2  GLN  32           HG2      GLN  32   4.080   5.056  -1.973
  215    HG3  GLN  32           HG3      GLN  32   3.661   6.523  -2.854
  216   HE21  GLN  32          HE21      GLN  32   3.504   5.251   0.061
  217   HE22  GLN  32          HE22      GLN  32   2.023   5.919   0.643
  218    H    CYS  33           H        CYS  33   3.649   2.343  -5.087
  219    HA   CYS  33           HA       CYS  33   2.138   2.177  -7.587
  220    HB2  CYS  33           HB2      CYS  33   4.264   1.089  -7.695
  221    HB3  CYS  33           HB3      CYS  33   3.977   0.240  -6.181
  222    H    LEU  34           H        LEU  34   0.049   1.723  -7.480
  223    HA   LEU  34           HA       LEU  34  -0.968   0.222  -5.171
  224    HB2  LEU  34           HB2      LEU  34  -2.607   1.721  -7.194
  225    HB3  LEU  34           HB3      LEU  34  -3.089   1.180  -5.588
  226    HG   LEU  34           HG       LEU  34  -1.136   3.396  -6.200
  227   HD11  LEU  34          HD11      LEU  34  -2.799   4.914  -5.630
  228   HD12  LEU  34          HD12      LEU  34  -3.795   3.684  -4.853
  229   HD13  LEU  34          HD13      LEU  34  -3.656   3.727  -6.611
  230   HD21  LEU  34          HD21      LEU  34  -1.004   3.777  -3.860
  231   HD22  LEU  34          HD22      LEU  34  -0.684   2.061  -4.118
  232   HD23  LEU  34          HD23      LEU  34  -2.263   2.586  -3.529
  233    H    CYS  35           H        CYS  35  -1.484  -1.839  -5.428
  234    HA   CYS  35           HA       CYS  35  -1.573  -3.012  -8.066
  235    HB2  CYS  35           HB2      CYS  35  -2.080  -4.351  -5.404
  236    HB3  CYS  35           HB3      CYS  35  -1.677  -5.137  -6.927
  237    H    ARG  36           H        ARG  36  -3.326  -4.222  -8.912
  238    HA   ARG  36           HA       ARG  36  -5.813  -2.989  -8.780
  239    HB2  ARG  36           HB2      ARG  36  -4.862  -5.630  -9.819
  240    HB3  ARG  36           HB3      ARG  36  -6.587  -5.300  -9.764
  241    HG2  ARG  36           HG2      ARG  36  -4.779  -3.301 -11.025
  242    HG3  ARG  36           HG3      ARG  36  -5.187  -4.774 -11.906
  243    HD2  ARG  36           HD2      ARG  36  -7.482  -4.265 -11.907
  244    HD3  ARG  36           HD3      ARG  36  -7.293  -3.038 -10.655
  245    HE   ARG  36           HE       ARG  36  -5.790  -2.291 -12.905
  246   HH11  ARG  36          HH11      ARG  36  -9.100  -2.637 -11.887
  247   HH12  ARG  36          HH12      ARG  36  -9.694  -1.412 -12.957
  248   HH21  ARG  36          HH21      ARG  36  -6.559  -0.676 -14.320
  249   HH22  ARG  36          HH22      ARG  36  -8.249  -0.298 -14.342
  Start of MODEL   14
    1    H    MET   1           H        MET   1   1.914   0.693   0.697
    2    HA   MET   1           HA       MET   1   1.398  -0.235  -2.036
    3    HB2  MET   1           HB2      MET   1   3.259   1.285  -2.662
    4    HB3  MET   1           HB3      MET   1   1.928   2.114  -1.865
    5    HG2  MET   1           HG2      MET   1   3.153   2.614  -0.023
    6    HG3  MET   1           HG3      MET   1   4.157   1.173  -0.162
    7    HE1  MET   1           HE1      MET   1   6.647   2.231   0.086
    8    HE2  MET   1           HE2      MET   1   6.857   3.933  -0.326
    9    HE3  MET   1           HE3      MET   1   5.580   3.447   0.790
   10    H    CYS   2           H        CYS   2   2.738  -1.630  -3.103
   11    HA   CYS   2           HA       CYS   2   4.398  -3.322  -1.483
   12    HB2  CYS   2           HB2      CYS   2   2.940  -4.123  -3.378
   13    HB3  CYS   2           HB3      CYS   2   4.085  -3.374  -4.488
   14    H    MET   3           H        MET   3   4.906  -0.835  -3.914
   15    HA   MET   3           HA       MET   3   7.612  -0.454  -3.039
   16    HB2  MET   3           HB2      MET   3   8.781  -1.063  -4.976
   17    HB3  MET   3           HB3      MET   3   7.659  -2.393  -4.726
   18    HG2  MET   3           HG2      MET   3   6.162  -1.452  -6.405
   19    HG3  MET   3           HG3      MET   3   7.280  -0.112  -6.651
   20    HE1  MET   3           HE1      MET   3  10.254  -1.370  -8.263
   21    HE2  MET   3           HE2      MET   3   9.761  -0.691  -6.712
   22    HE3  MET   3           HE3      MET   3  10.322  -2.362  -6.806
   23    HA   PRO   4           HA       PRO   4   6.792   3.644  -4.377
   24    HB2  PRO   4           HB2      PRO   4   9.292   4.527  -4.960
   25    HB3  PRO   4           HB3      PRO   4   8.729   4.258  -3.306
   26    HG2  PRO   4           HG2      PRO   4  10.406   2.492  -5.048
   27    HG3  PRO   4           HG3      PRO   4  10.600   2.877  -3.328
   28    HD2  PRO   4           HD2      PRO   4   9.488   0.563  -4.186
   29    HD3  PRO   4           HD3      PRO   4   8.994   1.358  -2.677
   30    H    CYS   5           H        CYS   5   5.962   4.386  -6.221
   31    HA   CYS   5           HA       CYS   5   7.063   3.407  -8.761
   32    HB2  CYS   5           HB2      CYS   5   4.499   3.337  -7.914
   33    HB3  CYS   5           HB3      CYS   5   4.500   4.891  -8.739
   34    H    PHE   6           H        PHE   6   6.745   5.025 -10.622
   35    HA   PHE   6           HA       PHE   6   7.180   7.793  -9.816
   36    HB2  PHE   6           HB2      PHE   6   9.182   6.129 -11.339
   37    HB3  PHE   6           HB3      PHE   6   9.178   7.888 -11.401
   38    HD1  PHE   6           HD1      PHE   6  10.087   9.176  -9.649
   39    HD2  PHE   6           HD2      PHE   6   9.573   4.979  -9.164
   40    HE1  PHE   6           HE1      PHE   6  11.432   9.253  -7.591
   41    HE2  PHE   6           HE2      PHE   6  10.917   5.049  -7.105
   42    HZ   PHE   6           HZ       PHE   6  11.850   7.187  -6.316
   43    H    THR   7           H        THR   7   6.111   9.131 -11.114
   44    HA   THR   7           HA       THR   7   4.680   8.138 -13.377
   45    HB   THR   7           HB       THR   7   3.868  10.440 -13.647
   46    HG1  THR   7           HG1      THR   7   5.050  12.023 -12.913
   47   HG21  THR   7          HG21      THR   7   3.776  10.130 -10.705
   48   HG22  THR   7          HG22      THR   7   3.228   8.751 -11.659
   49   HG23  THR   7          HG23      THR   7   2.464  10.326 -11.866
   50    H    THR   8           H        THR   8   7.575  10.078 -12.918
   51    HA   THR   8           HA       THR   8   7.846  10.791 -15.678
   52    HB   THR   8           HB       THR   8   8.851  12.219 -14.002
   53    HG1  THR   8           HG1      THR   8  10.591  12.584 -15.200
   54   HG21  THR   8          HG21      THR   8  10.358   9.730 -13.240
   55   HG22  THR   8          HG22      THR   8   9.386  10.785 -12.215
   56   HG23  THR   8          HG23      THR   8  10.945  11.339 -12.825
   57    H    ASP   9           H        ASP   9   8.705   8.061 -13.757
   58    HA   ASP   9           HA       ASP   9  10.664   7.092 -15.679
   59    HB2  ASP   9           HB2      ASP   9  10.871   6.820 -13.146
   60    HB3  ASP   9           HB3      ASP   9   9.611   5.597 -13.282
   61    H    HIS  10           H        HIS  10  10.260   5.660 -17.246
   62    HA   HIS  10           HA       HIS  10   7.524   4.682 -17.535
   63    HB2  HIS  10           HB2      HIS  10   8.281   4.055 -19.841
   64    HB3  HIS  10           HB3      HIS  10   8.405   5.775 -19.486
   65    HD1  HIS  10           HD1      HIS  10  10.907   6.598 -18.832
   66    HD2  HIS  10           HD2      HIS  10  10.584   2.920 -20.736
   67    HE1  HIS  10           HE1      HIS  10  13.208   6.092 -19.712
   68    H    GLN  11           H        GLN  11  10.793   3.533 -17.060
   69    HA   GLN  11           HA       GLN  11  10.108   0.765 -17.478
   70    HB2  GLN  11           HB2      GLN  11  12.409   0.308 -16.771
   71    HB3  GLN  11           HB3      GLN  11  12.357   1.563 -18.002
   72    HG2  GLN  11           HG2      GLN  11  13.033   3.200 -16.567
   73    HG3  GLN  11           HG3      GLN  11  12.354   2.395 -15.153
   74   HE21  GLN  11          HE21      GLN  11  15.145   3.318 -16.479
   75   HE22  GLN  11          HE22      GLN  11  16.214   2.122 -15.838
   76    H    MET  12           H        MET  12   9.844   2.976 -14.923
   77    HA   MET  12           HA       MET  12  10.260   1.287 -12.702
   78    HB2  MET  12           HB2      MET  12  10.181   3.722 -12.496
   79    HB3  MET  12           HB3      MET  12   8.487   3.722 -12.971
   80    HG2  MET  12           HG2      MET  12   8.547   3.971 -10.625
   81    HG3  MET  12           HG3      MET  12   8.014   2.324 -10.952
   82    HE1  MET  12           HE1      MET  12   9.744   0.063  -9.596
   83    HE2  MET  12           HE2      MET  12   9.568   1.012  -8.120
   84    HE3  MET  12           HE3      MET  12   8.304   1.051  -9.351
   85    H    ALA  13           H        ALA  13   7.373   2.052 -14.601
   86    HA   ALA  13           HA       ALA  13   5.427   0.814 -13.089
   87    HB1  ALA  13           HB1      ALA  13   5.728   1.184 -16.048
   88    HB2  ALA  13           HB2      ALA  13   4.325   0.360 -15.366
   89    HB3  ALA  13           HB3      ALA  13   4.665   2.033 -14.923
   90    H    ARG  14           H        ARG  14   7.788  -0.627 -15.258
   91    HA   ARG  14           HA       ARG  14   6.758  -3.168 -15.574
   92    HB2  ARG  14           HB2      ARG  14   8.938  -2.091 -16.496
   93    HB3  ARG  14           HB3      ARG  14   9.684  -2.757 -15.049
   94    HG2  ARG  14           HG2      ARG  14  10.066  -4.386 -16.647
   95    HG3  ARG  14           HG3      ARG  14   8.640  -4.986 -15.797
   96    HD2  ARG  14           HD2      ARG  14   8.214  -5.266 -18.110
   97    HD3  ARG  14           HD3      ARG  14   7.251  -3.886 -17.585
   98    HE   ARG  14           HE       ARG  14   9.648  -2.865 -18.513
   99   HH11  ARG  14          HH11      ARG  14   6.977  -4.698 -19.786
  100   HH12  ARG  14          HH12      ARG  14   7.147  -4.078 -21.394
  101   HH21  ARG  14          HH21      ARG  14   9.883  -2.040 -20.626
  102   HH22  ARG  14          HH22      ARG  14   8.802  -2.565 -21.871
  103    H    LYS  15           H        LYS  15   8.841  -1.985 -12.942
  104    HA   LYS  15           HA       LYS  15   8.792  -4.442 -11.503
  105    HB2  LYS  15           HB2      LYS  15   9.493  -1.639 -10.611
  106    HB3  LYS  15           HB3      LYS  15   9.755  -3.087  -9.648
  107    HG2  LYS  15           HG2      LYS  15  11.466  -3.839 -10.998
  108    HG3  LYS  15           HG3      LYS  15  10.923  -2.898 -12.389
  109    HD2  LYS  15           HD2      LYS  15  11.836  -1.484  -9.921
  110    HD3  LYS  15           HD3      LYS  15  13.034  -2.156 -11.029
  111    HE2  LYS  15           HE2      LYS  15  11.312  -0.870 -12.728
  112    HE3  LYS  15           HE3      LYS  15  11.303   0.185 -11.314
  113    HZ1  LYS  15           HZ1      LYS  15  13.927  -0.362 -11.634
  114    HZ2  LYS  15           HZ2      LYS  15  13.152   1.029 -12.203
  115    HZ3  LYS  15           HZ3      LYS  15  13.392  -0.287 -13.237
  116    H    CYS  16           H        CYS  16   6.944  -1.439 -11.317
  117    HA   CYS  16           HA       CYS  16   5.583  -1.792  -8.952
  118    HB2  CYS  16           HB2      CYS  16   5.260   0.250 -10.097
  119    HB3  CYS  16           HB3      CYS  16   4.732  -0.564 -11.566
  120    H    ASP  17           H        ASP  17   4.914  -3.235 -12.101
  121    HA   ASP  17           HA       ASP  17   2.490  -4.507 -11.258
  122    HB2  ASP  17           HB2      ASP  17   4.200  -5.238 -13.639
  123    HB3  ASP  17           HB3      ASP  17   2.481  -5.554 -13.415
  124    H    ASP  18           H        ASP  18   5.869  -5.450 -11.526
  125    HA   ASP  18           HA       ASP  18   5.534  -8.213 -11.107
  126    HB2  ASP  18           HB2      ASP  18   7.622  -7.120 -11.940
  127    HB3  ASP  18           HB3      ASP  18   7.912  -6.526 -10.308
  128    H    CYS  19           H        CYS  19   6.285  -5.592  -8.822
  129    HA   CYS  19           HA       CYS  19   6.478  -7.089  -6.500
  130    HB2  CYS  19           HB2      CYS  19   6.795  -4.517  -6.964
  131    HB3  CYS  19           HB3      CYS  19   5.121  -4.421  -6.425
  132    H    CYS  20           H        CYS  20   3.623  -5.952  -8.200
  133    HA   CYS  20           HA       CYS  20   1.765  -6.621  -6.148
  134    HB2  CYS  20           HB2      CYS  20   1.387  -6.175  -9.114
  135    HB3  CYS  20           HB3      CYS  20   0.066  -6.384  -7.968
  136    H    GLY  21           H        GLY  21   3.307  -8.386  -8.713
  137    HA2  GLY  21           HA2      GLY  21   2.867 -10.903  -7.741
  138    HA3  GLY  21           HA3      GLY  21   1.449 -10.574  -8.726
  139    H    GLY  22           H        GLY  22   1.930  -9.798 -10.992
  140    HA2  GLY  22           HA2      GLY  22   4.479 -10.731 -12.059
  141    HA3  GLY  22           HA3      GLY  22   3.047 -11.600 -12.588
  142    H    LYS  23           H        LYS  23   4.491 -10.497 -14.521
  143    HA   LYS  23           HA       LYS  23   4.125  -7.852 -15.218
  144    HB2  LYS  23           HB2      LYS  23   5.536  -9.509 -16.442
  145    HB3  LYS  23           HB3      LYS  23   4.068 -10.197 -17.127
  146    HG2  LYS  23           HG2      LYS  23   3.725  -8.428 -18.529
  147    HG3  LYS  23           HG3      LYS  23   4.557  -7.285 -17.471
  148    HD2  LYS  23           HD2      LYS  23   6.118  -7.484 -19.130
  149    HD3  LYS  23           HD3      LYS  23   6.642  -8.797 -18.072
  150    HE2  LYS  23           HE2      LYS  23   4.626  -9.371 -20.192
  151    HE3  LYS  23           HE3      LYS  23   6.316  -9.174 -20.657
  152    HZ1  LYS  23           HZ1      LYS  23   5.637 -11.500 -20.163
  153    HZ2  LYS  23           HZ2      LYS  23   5.407 -11.051 -18.549
  154    HZ3  LYS  23           HZ3      LYS  23   6.948 -10.954 -19.242
  155    H    GLY  24           H        GLY  24   2.353  -6.673 -15.477
  156    HA2  GLY  24           HA2      GLY  24   0.346  -6.201 -16.708
  157    HA3  GLY  24           HA3      GLY  24   0.002  -7.924 -16.731
  158    H    ARG  25           H        ARG  25   0.844  -7.949 -13.785
  159    HA   ARG  25           HA       ARG  25  -1.817  -7.310 -12.773
  160    HB2  ARG  25           HB2      ARG  25   0.390  -8.626 -11.207
  161    HB3  ARG  25           HB3      ARG  25  -1.348  -8.739 -10.959
  162    HG2  ARG  25           HG2      ARG  25  -1.200  -9.781 -13.416
  163    HG3  ARG  25           HG3      ARG  25   0.405 -10.212 -12.820
  164    HD2  ARG  25           HD2      ARG  25  -0.915 -11.019 -10.715
  165    HD3  ARG  25           HD3      ARG  25  -2.283 -11.057 -11.829
  166    HE   ARG  25           HE       ARG  25  -0.133 -12.407 -13.011
  167   HH11  ARG  25          HH11      ARG  25  -2.338 -12.744 -10.338
  168   HH12  ARG  25          HH12      ARG  25  -2.290 -14.476 -10.346
  169   HH21  ARG  25          HH21      ARG  25  -0.061 -14.686 -13.033
  170   HH22  ARG  25          HH22      ARG  25  -0.994 -15.580 -11.880
  171    H    GLY  26           H        GLY  26  -2.198  -5.447 -11.781
  172    HA2  GLY  26           HA2      GLY  26  -1.642  -4.059  -9.829
  173    HA3  GLY  26           HA3      GLY  26   0.036  -4.152 -10.344
  174    H    LYS  27           H        LYS  27  -0.631  -1.710  -9.932
  175    HA   LYS  27           HA       LYS  27  -0.694  -0.516 -12.555
  176    HB2  LYS  27           HB2      LYS  27  -3.137  -0.837 -11.423
  177    HB3  LYS  27           HB3      LYS  27  -2.687   0.732 -10.766
  178    HG2  LYS  27           HG2      LYS  27  -2.831   1.767 -12.769
  179    HG3  LYS  27           HG3      LYS  27  -2.275   0.352 -13.666
  180    HD2  LYS  27           HD2      LYS  27  -4.935   0.237 -12.333
  181    HD3  LYS  27           HD3      LYS  27  -4.777   1.180 -13.817
  182    HE2  LYS  27           HE2      LYS  27  -5.287  -0.838 -14.734
  183    HE3  LYS  27           HE3      LYS  27  -3.537  -1.024 -14.627
  184    HZ1  LYS  27           HZ1      LYS  27  -3.704  -2.478 -12.891
  185    HZ2  LYS  27           HZ2      LYS  27  -5.127  -2.861 -13.722
  186    HZ3  LYS  27           HZ3      LYS  27  -5.188  -1.869 -12.354
  187    H    CYS  28           H        CYS  28  -0.020   1.680 -12.559
  188    HA   CYS  28           HA       CYS  28   1.392   2.442 -10.097
  189    HB2  CYS  28           HB2      CYS  28   2.740   2.101 -12.176
  190    HB3  CYS  28           HB3      CYS  28   1.867   3.442 -12.911
  191    H    TYR  29           H        TYR  29   0.240   3.817  -8.908
  192    HA   TYR  29           HA       TYR  29  -1.040   6.091 -10.275
  193    HB2  TYR  29           HB2      TYR  29  -2.069   4.459  -7.955
  194    HB3  TYR  29           HB3      TYR  29  -2.708   6.049  -8.355
  195    HD1  TYR  29           HD1      TYR  29  -3.225   2.643  -8.767
  196    HD2  TYR  29           HD2      TYR  29  -3.326   6.281 -10.971
  197    HE1  TYR  29           HE1      TYR  29  -4.754   1.609 -10.392
  198    HE2  TYR  29           HE2      TYR  29  -4.857   5.258 -12.602
  199    HH   TYR  29           HH       TYR  29  -6.428   3.431 -12.756
  200    H    GLY  30           H        GLY  30   0.250   7.776  -9.862
  201    HA2  GLY  30           HA2      GLY  30   1.148   9.489  -8.594
  202    HA3  GLY  30           HA3      GLY  30   0.566   8.673  -7.150
  203    HA   PRO  31           HA       PRO  31   5.156   8.393  -7.049
  204    HB2  PRO  31           HB2      PRO  31   5.334   8.775  -4.367
  205    HB3  PRO  31           HB3      PRO  31   5.245  10.109  -5.523
  206    HG2  PRO  31           HG2      PRO  31   3.075   8.906  -3.847
  207    HG3  PRO  31           HG3      PRO  31   3.416  10.615  -4.178
  208    HD2  PRO  31           HD2      PRO  31   1.471   9.241  -5.468
  209    HD3  PRO  31           HD3      PRO  31   2.388  10.550  -6.241
  210    H    GLN  32           H        GLN  32   2.563   6.774  -5.412
  211    HA   GLN  32           HA       GLN  32   4.367   4.557  -4.705
  212    HB2  GLN  32           HB2      GLN  32   1.605   5.135  -3.620
  213    HB3  GLN  32           HB3      GLN  32   2.690   3.859  -3.084
  214    HG2  GLN  32           HG2      GLN  32   4.283   5.545  -2.308
  215    HG3  GLN  32           HG3      GLN  32   3.180   6.818  -2.828
  216   HE21  GLN  32          HE21      GLN  32   4.260   5.348  -0.197
  217   HE22  GLN  32          HE22      GLN  32   2.869   5.435   0.824
  218    H    CYS  33           H        CYS  33   3.784   2.433  -5.231
  219    HA   CYS  33           HA       CYS  33   2.125   2.230  -7.610
  220    HB2  CYS  33           HB2      CYS  33   4.246   1.136  -7.764
  221    HB3  CYS  33           HB3      CYS  33   3.995   0.298  -6.236
  222    H    LEU  34           H        LEU  34   0.059   1.680  -7.512
  223    HA   LEU  34           HA       LEU  34  -0.904   0.215  -5.149
  224    HB2  LEU  34           HB2      LEU  34  -2.620   1.718  -7.102
  225    HB3  LEU  34           HB3      LEU  34  -3.020   1.199  -5.466
  226    HG   LEU  34           HG       LEU  34  -1.081   3.393  -6.196
  227   HD11  LEU  34          HD11      LEU  34  -3.618   3.734  -6.516
  228   HD12  LEU  34          HD12      LEU  34  -2.707   4.937  -5.603
  229   HD13  LEU  34          HD13      LEU  34  -3.680   3.737  -4.753
  230   HD21  LEU  34          HD21      LEU  34  -0.352   3.365  -4.099
  231   HD22  LEU  34          HD22      LEU  34  -1.194   1.829  -3.888
  232   HD23  LEU  34          HD23      LEU  34  -1.999   3.342  -3.466
  233    H    CYS  35           H        CYS  35  -1.403  -1.848  -5.418
  234    HA   CYS  35           HA       CYS  35  -1.565  -3.005  -8.049
  235    HB2  CYS  35           HB2      CYS  35  -2.082  -4.345  -5.390
  236    HB3  CYS  35           HB3      CYS  35  -1.689  -5.130  -6.917
  237    H    ARG  36           H        ARG  36  -3.342  -4.186  -8.887
  238    HA   ARG  36           HA       ARG  36  -5.796  -2.922  -8.796
  239    HB2  ARG  36           HB2      ARG  36  -4.871  -5.598  -9.726
  240    HB3  ARG  36           HB3      ARG  36  -6.604  -5.321  -9.606
  241    HG2  ARG  36           HG2      ARG  36  -6.074  -3.168 -10.973
  242    HG3  ARG  36           HG3      ARG  36  -4.601  -4.041 -11.404
  243    HD2  ARG  36           HD2      ARG  36  -7.255  -5.391 -11.647
  244    HD3  ARG  36           HD3      ARG  36  -6.738  -4.252 -12.889
  245    HE   ARG  36           HE       ARG  36  -4.616  -5.936 -12.598
  246   HH11  ARG  36          HH11      ARG  36  -8.004  -6.359 -13.280
  247   HH12  ARG  36          HH12      ARG  36  -7.768  -7.790 -14.227
  248   HH21  ARG  36          HH21      ARG  36  -4.293  -7.820 -13.844
  249   HH22  ARG  36          HH22      ARG  36  -5.657  -8.621 -14.546
  Start of MODEL   15
    1    H    MET   1           H        MET   1   1.823  -0.090   0.785
    2    HA   MET   1           HA       MET   1   1.258  -0.368  -2.066
    3    HB2  MET   1           HB2      MET   1   3.108   1.169  -2.654
    4    HB3  MET   1           HB3      MET   1   1.778   1.987  -1.846
    5    HG2  MET   1           HG2      MET   1   3.493   2.915  -0.708
    6    HG3  MET   1           HG3      MET   1   3.260   1.480   0.289
    7    HE1  MET   1           HE1      MET   1   5.813   3.542  -0.271
    8    HE2  MET   1           HE2      MET   1   7.120   2.812  -1.204
    9    HE3  MET   1           HE3      MET   1   5.695   3.446  -2.028
   10    H    CYS   2           H        CYS   2   2.738  -1.627  -3.184
   11    HA   CYS   2           HA       CYS   2   4.344  -3.370  -1.531
   12    HB2  CYS   2           HB2      CYS   2   2.915  -4.155  -3.463
   13    HB3  CYS   2           HB3      CYS   2   4.088  -3.405  -4.541
   14    H    MET   3           H        MET   3   4.855  -0.862  -3.940
   15    HA   MET   3           HA       MET   3   7.542  -0.449  -3.023
   16    HB2  MET   3           HB2      MET   3   8.741  -1.006  -4.972
   17    HB3  MET   3           HB3      MET   3   7.679  -2.379  -4.688
   18    HG2  MET   3           HG2      MET   3   6.135  -1.547  -6.377
   19    HG3  MET   3           HG3      MET   3   7.178  -0.153  -6.651
   20    HE1  MET   3           HE1      MET   3  10.300  -2.161  -6.687
   21    HE2  MET   3           HE2      MET   3  10.248  -1.389  -8.271
   22    HE3  MET   3           HE3      MET   3   9.675  -0.519  -6.846
   23    HA   PRO   4           HA       PRO   4   6.680   3.641  -4.362
   24    HB2  PRO   4           HB2      PRO   4   9.179   4.568  -4.877
   25    HB3  PRO   4           HB3      PRO   4   8.579   4.283  -3.240
   26    HG2  PRO   4           HG2      PRO   4  10.329   2.553  -4.944
   27    HG3  PRO   4           HG3      PRO   4  10.473   2.933  -3.218
   28    HD2  PRO   4           HD2      PRO   4   9.420   0.605  -4.113
   29    HD3  PRO   4           HD3      PRO   4   8.876   1.386  -2.614
   30    H    CYS   5           H        CYS   5   5.888   4.381  -6.223
   31    HA   CYS   5           HA       CYS   5   7.088   3.446  -8.738
   32    HB2  CYS   5           HB2      CYS   5   4.507   3.260  -7.968
   33    HB3  CYS   5           HB3      CYS   5   4.465   4.824  -8.776
   34    H    PHE   6           H        PHE   6   6.808   5.048 -10.596
   35    HA   PHE   6           HA       PHE   6   7.065   7.834  -9.776
   36    HB2  PHE   6           HB2      PHE   6   9.224   6.280 -11.202
   37    HB3  PHE   6           HB3      PHE   6   9.142   8.039 -11.227
   38    HD1  PHE   6           HD1      PHE   6   9.867   9.328  -9.385
   39    HD2  PHE   6           HD2      PHE   6   9.575   5.095  -9.050
   40    HE1  PHE   6           HE1      PHE   6  11.094   9.415  -7.254
   41    HE2  PHE   6           HE2      PHE   6  10.800   5.176  -6.918
   42    HZ   PHE   6           HZ       PHE   6  11.563   7.337  -6.018
   43    H    THR   7           H        THR   7   5.830   9.010 -11.069
   44    HA   THR   7           HA       THR   7   4.623   7.984 -13.408
   45    HB   THR   7           HB       THR   7   3.547   9.719 -12.049
   46    HG1  THR   7           HG1      THR   7   2.944  11.073 -13.858
   47   HG21  THR   7          HG21      THR   7   5.917  10.935 -11.870
   48   HG22  THR   7          HG22      THR   7   4.395  11.800 -11.668
   49   HG23  THR   7          HG23      THR   7   5.243  11.858 -13.213
   50    H    THR   8           H        THR   8   7.420  10.039 -12.860
   51    HA   THR   8           HA       THR   8   7.782  10.775 -15.591
   52    HB   THR   8           HB       THR   8   8.728  12.138 -13.793
   53    HG1  THR   8           HG1      THR   8  10.061  12.620 -15.361
   54   HG21  THR   8          HG21      THR   8   9.374   9.899 -12.514
   55   HG22  THR   8          HG22      THR   8  10.237  11.412 -12.237
   56   HG23  THR   8          HG23      THR   8  10.920  10.189 -13.310
   57    H    ASP   9           H        ASP   9   8.576   7.996 -13.721
   58    HA   ASP   9           HA       ASP   9  10.599   7.077 -15.602
   59    HB2  ASP   9           HB2      ASP   9   9.461   5.771 -13.121
   60    HB3  ASP   9           HB3      ASP   9  10.786   5.128 -14.087
   61    H    HIS  10           H        HIS  10  10.262   5.648 -17.194
   62    HA   HIS  10           HA       HIS  10   7.531   4.709 -17.620
   63    HB2  HIS  10           HB2      HIS  10   8.957   5.892 -19.407
   64    HB3  HIS  10           HB3      HIS  10   9.830   4.368 -19.536
   65    HD1  HIS  10           HD1      HIS  10   8.807   4.613 -22.071
   66    HD2  HIS  10           HD2      HIS  10   6.154   3.642 -19.025
   67    HE1  HIS  10           HE1      HIS  10   6.786   3.657 -23.220
   68    H    GLN  11           H        GLN  11  10.786   3.494 -17.107
   69    HA   GLN  11           HA       GLN  11  10.025   0.743 -17.513
   70    HB2  GLN  11           HB2      GLN  11  12.336   0.254 -16.746
   71    HB3  GLN  11           HB3      GLN  11  12.276   1.391 -18.086
   72    HG2  GLN  11           HG2      GLN  11  12.915   3.179 -16.773
   73    HG3  GLN  11           HG3      GLN  11  12.398   2.398 -15.280
   74   HE21  GLN  11          HE21      GLN  11  14.751   3.476 -15.102
   75   HE22  GLN  11          HE22      GLN  11  16.029   2.319 -15.206
   76    H    MET  12           H        MET  12   9.855   2.969 -14.963
   77    HA   MET  12           HA       MET  12  10.266   1.305 -12.734
   78    HB2  MET  12           HB2      MET  12  10.187   3.737 -12.546
   79    HB3  MET  12           HB3      MET  12   8.494   3.737 -13.022
   80    HG2  MET  12           HG2      MET  12   8.476   3.992 -10.702
   81    HG3  MET  12           HG3      MET  12   8.068   2.300 -10.981
   82    HE1  MET  12           HE1      MET  12   8.428   1.242  -9.106
   83    HE2  MET  12           HE2      MET  12   9.739   0.225  -9.705
   84    HE3  MET  12           HE3      MET  12   9.901   1.052  -8.155
   85    H    ALA  13           H        ALA  13   7.404   1.971 -14.687
   86    HA   ALA  13           HA       ALA  13   5.452   0.772 -13.126
   87    HB1  ALA  13           HB1      ALA  13   5.754   1.149 -16.077
   88    HB2  ALA  13           HB2      ALA  13   4.384   0.249 -15.428
   89    HB3  ALA  13           HB3      ALA  13   4.637   1.929 -14.956
   90    H    ARG  14           H        ARG  14   7.822  -0.690 -15.270
   91    HA   ARG  14           HA       ARG  14   6.808  -3.240 -15.551
   92    HB2  ARG  14           HB2      ARG  14   9.110  -2.031 -16.288
   93    HB3  ARG  14           HB3      ARG  14   9.710  -3.069 -15.002
   94    HG2  ARG  14           HG2      ARG  14   9.932  -4.208 -17.097
   95    HG3  ARG  14           HG3      ARG  14   8.680  -5.008 -16.143
   96    HD2  ARG  14           HD2      ARG  14   7.108  -4.575 -17.667
   97    HD3  ARG  14           HD3      ARG  14   7.610  -2.891 -17.816
   98    HE   ARG  14           HE       ARG  14   8.288  -5.046 -19.562
   99   HH11  ARG  14          HH11      ARG  14   9.409  -2.016 -18.269
  100   HH12  ARG  14          HH12      ARG  14  10.439  -1.670 -19.619
  101   HH21  ARG  14          HH21      ARG  14   9.639  -4.603 -21.346
  102   HH22  ARG  14          HH22      ARG  14  10.566  -3.142 -21.370
  103    H    LYS  15           H        LYS  15   8.871  -2.005 -12.929
  104    HA   LYS  15           HA       LYS  15   8.847  -4.438 -11.454
  105    HB2  LYS  15           HB2      LYS  15   9.479  -1.613 -10.576
  106    HB3  LYS  15           HB3      LYS  15   9.780  -3.054  -9.615
  107    HG2  LYS  15           HG2      LYS  15  11.494  -3.776 -10.997
  108    HG3  LYS  15           HG3      LYS  15  10.946  -2.790 -12.355
  109    HD2  LYS  15           HD2      LYS  15  11.827  -1.450  -9.837
  110    HD3  LYS  15           HD3      LYS  15  13.043  -2.079 -10.951
  111    HE2  LYS  15           HE2      LYS  15  11.337  -0.758 -12.634
  112    HE3  LYS  15           HE3      LYS  15  11.290   0.253 -11.191
  113    HZ1  LYS  15           HZ1      LYS  15  13.395   0.919 -11.490
  114    HZ2  LYS  15           HZ2      LYS  15  13.156   0.440 -13.094
  115    HZ3  LYS  15           HZ3      LYS  15  13.933  -0.600 -12.008
  116    H    CYS  16           H        CYS  16   6.963  -1.451 -11.294
  117    HA   CYS  16           HA       CYS  16   5.578  -1.828  -8.944
  118    HB2  CYS  16           HB2      CYS  16   5.240   0.221 -10.050
  119    HB3  CYS  16           HB3      CYS  16   4.780  -0.566 -11.556
  120    H    ASP  17           H        ASP  17   5.040  -3.324 -12.077
  121    HA   ASP  17           HA       ASP  17   2.578  -4.586 -11.298
  122    HB2  ASP  17           HB2      ASP  17   4.310  -5.400 -13.626
  123    HB3  ASP  17           HB3      ASP  17   2.564  -5.563 -13.454
  124    H    ASP  18           H        ASP  18   5.965  -5.532 -11.540
  125    HA   ASP  18           HA       ASP  18   5.627  -8.288 -11.095
  126    HB2  ASP  18           HB2      ASP  18   7.722  -7.292 -11.932
  127    HB3  ASP  18           HB3      ASP  18   7.985  -6.539 -10.361
  128    H    CYS  19           H        CYS  19   6.379  -5.656  -8.819
  129    HA   CYS  19           HA       CYS  19   6.546  -7.136  -6.487
  130    HB2  CYS  19           HB2      CYS  19   6.892  -4.580  -6.947
  131    HB3  CYS  19           HB3      CYS  19   5.202  -4.456  -6.468
  132    H    CYS  20           H        CYS  20   3.694  -5.930  -8.166
  133    HA   CYS  20           HA       CYS  20   1.828  -6.610  -6.137
  134    HB2  CYS  20           HB2      CYS  20   1.492  -6.137  -9.103
  135    HB3  CYS  20           HB3      CYS  20   0.146  -6.401  -8.001
  136    H    GLY  21           H        GLY  21   3.373  -8.394  -8.686
  137    HA2  GLY  21           HA2      GLY  21   2.925 -10.905  -7.711
  138    HA3  GLY  21           HA3      GLY  21   1.501 -10.575  -8.687
  139    H    GLY  22           H        GLY  22   2.077  -9.651 -10.943
  140    HA2  GLY  22           HA2      GLY  22   4.562 -10.743 -12.010
  141    HA3  GLY  22           HA3      GLY  22   3.073 -11.465 -12.603
  142    H    LYS  23           H        LYS  23   4.027 -10.673 -14.675
  143    HA   LYS  23           HA       LYS  23   4.094  -7.872 -15.205
  144    HB2  LYS  23           HB2      LYS  23   5.354  -9.675 -16.465
  145    HB3  LYS  23           HB3      LYS  23   3.830 -10.085 -17.240
  146    HG2  LYS  23           HG2      LYS  23   3.701  -7.729 -18.057
  147    HG3  LYS  23           HG3      LYS  23   5.334  -7.487 -17.430
  148    HD2  LYS  23           HD2      LYS  23   4.640  -9.671 -19.383
  149    HD3  LYS  23           HD3      LYS  23   5.150  -8.059 -19.892
  150    HE2  LYS  23           HE2      LYS  23   7.173  -9.119 -19.879
  151    HE3  LYS  23           HE3      LYS  23   7.130  -8.540 -18.213
  152    HZ1  LYS  23           HZ1      LYS  23   7.417 -10.637 -17.603
  153    HZ2  LYS  23           HZ2      LYS  23   7.206 -11.208 -19.181
  154    HZ3  LYS  23           HZ3      LYS  23   5.863 -10.981 -18.177
  155    H    GLY  24           H        GLY  24   2.376  -6.595 -15.339
  156    HA2  GLY  24           HA2      GLY  24   0.406  -5.927 -16.535
  157    HA3  GLY  24           HA3      GLY  24  -0.030  -7.623 -16.686
  158    H    ARG  25           H        ARG  25   0.790  -7.908 -13.749
  159    HA   ARG  25           HA       ARG  25  -1.851  -7.356 -12.703
  160    HB2  ARG  25           HB2      ARG  25   0.492  -8.555 -11.229
  161    HB3  ARG  25           HB3      ARG  25  -1.212  -8.683 -10.817
  162    HG2  ARG  25           HG2      ARG  25  -1.192  -9.743 -13.316
  163    HG3  ARG  25           HG3      ARG  25   0.394 -10.230 -12.715
  164    HD2  ARG  25           HD2      ARG  25  -0.621 -11.906 -11.661
  165    HD3  ARG  25           HD3      ARG  25  -1.343 -10.702 -10.594
  166    HE   ARG  25           HE       ARG  25  -2.945 -10.822 -12.847
  167   HH11  ARG  25          HH11      ARG  25  -1.925 -12.970 -10.303
  168   HH12  ARG  25          HH12      ARG  25  -3.372 -13.920 -10.347
  169   HH21  ARG  25          HH21      ARG  25  -4.856 -12.066 -12.915
  170   HH22  ARG  25          HH22      ARG  25  -5.039 -13.406 -11.833
  171    H    GLY  26           H        GLY  26  -2.381  -5.565 -11.646
  172    HA2  GLY  26           HA2      GLY  26  -2.018  -4.054  -9.807
  173    HA3  GLY  26           HA3      GLY  26  -0.291  -4.162 -10.115
  174    H    LYS  27           H        LYS  27  -0.823  -1.725  -9.880
  175    HA   LYS  27           HA       LYS  27  -0.702  -0.614 -12.538
  176    HB2  LYS  27           HB2      LYS  27  -3.161  -0.520 -10.995
  177    HB3  LYS  27           HB3      LYS  27  -2.566   1.094 -11.360
  178    HG2  LYS  27           HG2      LYS  27  -2.785  -0.981 -13.505
  179    HG3  LYS  27           HG3      LYS  27  -4.187  -0.032 -13.005
  180    HD2  LYS  27           HD2      LYS  27  -3.346   1.913 -13.859
  181    HD3  LYS  27           HD3      LYS  27  -1.669   1.425 -13.610
  182    HE2  LYS  27           HE2      LYS  27  -3.480   0.212 -15.690
  183    HE3  LYS  27           HE3      LYS  27  -2.391   1.560 -16.008
  184    HZ1  LYS  27           HZ1      LYS  27  -1.773  -1.097 -16.181
  185    HZ2  LYS  27           HZ2      LYS  27  -1.057  -0.614 -14.727
  186    HZ3  LYS  27           HZ3      LYS  27  -0.670   0.186 -16.167
  187    H    CYS  28           H        CYS  28  -0.058   1.639 -12.542
  188    HA   CYS  28           HA       CYS  28   1.347   2.365 -10.061
  189    HB2  CYS  28           HB2      CYS  28   2.786   1.967 -12.029
  190    HB3  CYS  28           HB3      CYS  28   1.925   3.232 -12.901
  191    H    TYR  29           H        TYR  29   0.201   3.790  -8.923
  192    HA   TYR  29           HA       TYR  29  -0.923   6.109 -10.346
  193    HB2  TYR  29           HB2      TYR  29  -2.170   4.662  -8.000
  194    HB3  TYR  29           HB3      TYR  29  -2.792   6.133  -8.740
  195    HD1  TYR  29           HD1      TYR  29  -3.749   3.013  -8.425
  196    HD2  TYR  29           HD2      TYR  29  -2.529   5.570 -11.598
  197    HE1  TYR  29           HE1      TYR  29  -5.053   1.658 -10.011
  198    HE2  TYR  29           HE2      TYR  29  -3.830   4.223 -13.193
  199    HH   TYR  29           HH       TYR  29  -6.164   2.390 -12.578
  200    H    GLY  30           H        GLY  30   0.277   7.806  -9.798
  201    HA2  GLY  30           HA2      GLY  30   1.097   9.471  -8.411
  202    HA3  GLY  30           HA3      GLY  30   0.537   8.546  -7.026
  203    HA   PRO  31           HA       PRO  31   5.152   8.405  -7.003
  204    HB2  PRO  31           HB2      PRO  31   5.372   8.780  -4.323
  205    HB3  PRO  31           HB3      PRO  31   5.240  10.116  -5.472
  206    HG2  PRO  31           HG2      PRO  31   3.121   8.872  -3.763
  207    HG3  PRO  31           HG3      PRO  31   3.427  10.588  -4.093
  208    HD2  PRO  31           HD2      PRO  31   1.483   9.187  -5.353
  209    HD3  PRO  31           HD3      PRO  31   2.363  10.514  -6.137
  210    H    GLN  32           H        GLN  32   2.604   6.711  -5.403
  211    HA   GLN  32           HA       GLN  32   4.457   4.510  -4.765
  212    HB2  GLN  32           HB2      GLN  32   1.782   5.104  -3.488
  213    HB3  GLN  32           HB3      GLN  32   2.875   3.798  -3.048
  214    HG2  GLN  32           HG2      GLN  32   4.339   5.192  -1.980
  215    HG3  GLN  32           HG3      GLN  32   3.882   6.592  -2.949
  216   HE21  GLN  32          HE21      GLN  32   4.134   6.463  -0.102
  217   HE22  GLN  32          HE22      GLN  32   2.584   6.829   0.565
  218    H    CYS  33           H        CYS  33   3.988   2.467  -5.469
  219    HA   CYS  33           HA       CYS  33   2.200   2.256  -7.703
  220    HB2  CYS  33           HB2      CYS  33   4.267   1.057  -7.837
  221    HB3  CYS  33           HB3      CYS  33   3.972   0.255  -6.298
  222    H    LEU  34           H        LEU  34   0.152   1.606  -7.701
  223    HA   LEU  34           HA       LEU  34  -0.884   0.275  -5.285
  224    HB2  LEU  34           HB2      LEU  34  -2.554   1.866  -7.203
  225    HB3  LEU  34           HB3      LEU  34  -2.941   1.374  -5.555
  226    HG   LEU  34           HG       LEU  34  -0.996   3.518  -6.403
  227   HD11  LEU  34          HD11      LEU  34  -3.652   3.743  -6.256
  228   HD12  LEU  34          HD12      LEU  34  -2.553   5.047  -5.804
  229   HD13  LEU  34          HD13      LEU  34  -3.254   4.012  -4.559
  230   HD21  LEU  34          HD21      LEU  34  -1.091   1.930  -4.003
  231   HD22  LEU  34          HD22      LEU  34  -1.414   3.626  -3.643
  232   HD23  LEU  34          HD23      LEU  34   0.068   3.170  -4.484
  233    H    CYS  35           H        CYS  35  -1.192  -1.815  -5.661
  234    HA   CYS  35           HA       CYS  35  -1.473  -2.947  -8.239
  235    HB2  CYS  35           HB2      CYS  35  -2.245  -4.234  -5.617
  236    HB3  CYS  35           HB3      CYS  35  -1.786  -5.045  -7.111
  237    H    ARG  36           H        ARG  36  -3.190  -2.500  -9.471
  238    HA   ARG  36           HA       ARG  36  -5.714  -1.719  -8.638
  239    HB2  ARG  36           HB2      ARG  36  -6.479  -2.280 -10.892
  240    HB3  ARG  36           HB3      ARG  36  -4.917  -1.472 -10.943
  241    HG2  ARG  36           HG2      ARG  36  -3.860  -3.273 -11.786
  242    HG3  ARG  36           HG3      ARG  36  -4.835  -4.415 -10.857
  243    HD2  ARG  36           HD2      ARG  36  -5.643  -4.856 -12.941
  244    HD3  ARG  36           HD3      ARG  36  -6.734  -3.547 -12.487
  245    HE   ARG  36           HE       ARG  36  -4.604  -2.321 -13.704
  246   HH11  ARG  36          HH11      ARG  36  -6.926  -4.759 -14.589
  247   HH12  ARG  36          HH12      ARG  36  -6.907  -4.353 -16.273
  248   HH21  ARG  36          HH21      ARG  36  -4.569  -1.776 -15.919
  249   HH22  ARG  36          HH22      ARG  36  -5.565  -2.656 -17.029
  Start of MODEL   16
    1    H    MET   1           H        MET   1   1.929  -0.078   0.844
    2    HA   MET   1           HA       MET   1   1.296  -0.273  -1.968
    3    HB2  MET   1           HB2      MET   1   3.125   1.241  -2.673
    4    HB3  MET   1           HB3      MET   1   1.825   2.085  -1.842
    5    HG2  MET   1           HG2      MET   1   3.585   3.047  -0.802
    6    HG3  MET   1           HG3      MET   1   3.382   1.650   0.251
    7    HE1  MET   1           HE1      MET   1   5.967   2.811   0.752
    8    HE2  MET   1           HE2      MET   1   7.311   2.550  -0.358
    9    HE3  MET   1           HE3      MET   1   6.042   3.706  -0.767
   10    H    CYS   2           H        CYS   2   2.720  -1.579  -3.101
   11    HA   CYS   2           HA       CYS   2   4.370  -3.293  -1.474
   12    HB2  CYS   2           HB2      CYS   2   2.910  -4.095  -3.370
   13    HB3  CYS   2           HB3      CYS   2   4.051  -3.341  -4.478
   14    H    MET   3           H        MET   3   4.853  -0.811  -3.920
   15    HA   MET   3           HA       MET   3   7.553  -0.393  -3.043
   16    HB2  MET   3           HB2      MET   3   8.735  -1.011  -4.968
   17    HB3  MET   3           HB3      MET   3   7.623  -2.349  -4.711
   18    HG2  MET   3           HG2      MET   3   6.124  -1.437  -6.404
   19    HG3  MET   3           HG3      MET   3   7.231  -0.090  -6.660
   20    HE1  MET   3           HE1      MET   3   9.719  -0.546  -6.895
   21    HE2  MET   3           HE2      MET   3  10.227  -2.209  -6.601
   22    HE3  MET   3           HE3      MET   3  10.290  -1.544  -8.233
   23    HA   PRO   4           HA       PRO   4   6.691   3.683  -4.426
   24    HB2  PRO   4           HB2      PRO   4   9.184   4.588  -5.006
   25    HB3  PRO   4           HB3      PRO   4   8.617   4.328  -3.353
   26    HG2  PRO   4           HG2      PRO   4  10.321   2.564  -5.069
   27    HG3  PRO   4           HG3      PRO   4  10.504   2.969  -3.352
   28    HD2  PRO   4           HD2      PRO   4   9.421   0.633  -4.191
   29    HD3  PRO   4           HD3      PRO   4   8.911   1.438  -2.693
   30    H    CYS   5           H        CYS   5   5.863   4.399  -6.279
   31    HA   CYS   5           HA       CYS   5   6.996   3.416  -8.805
   32    HB2  CYS   5           HB2      CYS   5   4.432   3.279  -7.976
   33    HB3  CYS   5           HB3      CYS   5   4.394   4.834  -8.802
   34    H    PHE   6           H        PHE   6   6.702   4.994 -10.680
   35    HA   PHE   6           HA       PHE   6   7.020   7.788  -9.909
   36    HB2  PHE   6           HB2      PHE   6   9.123   6.171 -11.345
   37    HB3  PHE   6           HB3      PHE   6   9.065   7.928 -11.425
   38    HD1  PHE   6           HD1      PHE   6   9.869   9.261  -9.653
   39    HD2  PHE   6           HD2      PHE   6   9.487   5.051  -9.153
   40    HE1  PHE   6           HE1      PHE   6  11.145   9.399  -7.554
   41    HE2  PHE   6           HE2      PHE   6  10.761   5.182  -7.052
   42    HZ   PHE   6           HZ       PHE   6  11.594   7.357  -6.251
   43    H    THR   7           H        THR   7   5.945   9.066 -11.260
   44    HA   THR   7           HA       THR   7   4.625   7.990 -13.552
   45    HB   THR   7           HB       THR   7   3.657  10.180 -13.850
   46    HG1  THR   7           HG1      THR   7   4.537  11.967 -13.022
   47   HG21  THR   7          HG21      THR   7   3.701  10.195 -10.908
   48   HG22  THR   7          HG22      THR   7   3.299   8.641 -11.638
   49   HG23  THR   7          HG23      THR   7   2.340  10.071 -12.022
   50    H    THR   8           H        THR   8   7.434  10.036 -13.032
   51    HA   THR   8           HA       THR   8   7.771  10.749 -15.777
   52    HB   THR   8           HB       THR   8   8.703  12.090 -13.897
   53    HG1  THR   8           HG1      THR   8  10.721  11.148 -15.674
   54   HG21  THR   8          HG21      THR   8  11.067  10.329 -13.694
   55   HG22  THR   8          HG22      THR   8   9.609   9.771 -12.876
   56   HG23  THR   8          HG23      THR   8  10.300  11.342 -12.472
   57    H    ASP   9           H        ASP   9   8.622   8.016 -13.856
   58    HA   ASP   9           HA       ASP   9  10.618   7.082 -15.763
   59    HB2  ASP   9           HB2      ASP   9  10.846   6.826 -13.238
   60    HB3  ASP   9           HB3      ASP   9   9.592   5.595 -13.347
   61    H    HIS  10           H        HIS  10  10.259   5.605 -17.303
   62    HA   HIS  10           HA       HIS  10   7.536   4.592 -17.608
   63    HB2  HIS  10           HB2      HIS  10   8.301   3.953 -19.894
   64    HB3  HIS  10           HB3      HIS  10   8.460   5.674 -19.559
   65    HD1  HIS  10           HD1      HIS  10  10.457   2.606 -20.252
   66    HD2  HIS  10           HD2      HIS  10  11.107   6.621 -19.403
   67    HE1  HIS  10           HE1      HIS  10  12.883   3.018 -20.768
   68    H    GLN  11           H        GLN  11  10.809   3.486 -17.070
   69    HA   GLN  11           HA       GLN  11  10.159   0.704 -17.449
   70    HB2  GLN  11           HB2      GLN  11  12.452   0.277 -16.731
   71    HB3  GLN  11           HB3      GLN  11  12.410   1.546 -17.949
   72    HG2  GLN  11           HG2      GLN  11  12.961   3.200 -16.440
   73    HG3  GLN  11           HG3      GLN  11  12.408   2.263 -15.053
   74   HE21  GLN  11          HE21      GLN  11  14.610   1.463 -17.709
   75   HE22  GLN  11          HE22      GLN  11  15.962   1.083 -16.705
   76    H    MET  12           H        MET  12   9.838   2.956 -14.937
   77    HA   MET  12           HA       MET  12  10.238   1.304 -12.684
   78    HB2  MET  12           HB2      MET  12  10.131   3.760 -12.557
   79    HB3  MET  12           HB3      MET  12   8.426   3.706 -12.983
   80    HG2  MET  12           HG2      MET  12   8.527   4.005 -10.651
   81    HG3  MET  12           HG3      MET  12   8.059   2.328 -10.920
   82    HE1  MET  12           HE1      MET  12   9.290   0.331 -10.232
   83    HE2  MET  12           HE2      MET  12  10.420   0.405  -8.880
   84    HE3  MET  12           HE3      MET  12   8.808   1.103  -8.721
   85    H    ALA  13           H        ALA  13   7.375   2.022 -14.636
   86    HA   ALA  13           HA       ALA  13   5.414   0.800 -13.127
   87    HB1  ALA  13           HB1      ALA  13   4.521   1.882 -14.923
   88    HB2  ALA  13           HB2      ALA  13   5.770   1.311 -16.031
   89    HB3  ALA  13           HB3      ALA  13   4.471   0.227 -15.533
   90    H    ARG  14           H        ARG  14   7.810  -0.663 -15.244
   91    HA   ARG  14           HA       ARG  14   6.796  -3.211 -15.538
   92    HB2  ARG  14           HB2      ARG  14   8.996  -2.125 -16.428
   93    HB3  ARG  14           HB3      ARG  14   9.712  -2.801 -14.971
   94    HG2  ARG  14           HG2      ARG  14   9.514  -4.949 -15.700
   95    HG3  ARG  14           HG3      ARG  14   8.087  -4.602 -16.679
   96    HD2  ARG  14           HD2      ARG  14   9.627  -4.873 -18.340
   97    HD3  ARG  14           HD3      ARG  14   9.820  -3.146 -18.042
   98    HE   ARG  14           HE       ARG  14  11.625  -4.286 -16.370
   99   HH11  ARG  14          HH11      ARG  14  10.987  -4.557 -19.781
  100   HH12  ARG  14          HH12      ARG  14  12.637  -4.892 -20.196
  101   HH21  ARG  14          HH21      ARG  14  13.799  -4.726 -16.903
  102   HH22  ARG  14          HH22      ARG  14  14.235  -4.989 -18.557
  103    H    LYS  15           H        LYS  15   8.916  -2.039 -12.925
  104    HA   LYS  15           HA       LYS  15   8.840  -4.453 -11.445
  105    HB2  LYS  15           HB2      LYS  15   9.475  -1.634 -10.553
  106    HB3  LYS  15           HB3      LYS  15   9.766  -3.079  -9.594
  107    HG2  LYS  15           HG2      LYS  15  11.504  -3.784 -10.937
  108    HG3  LYS  15           HG3      LYS  15  10.946  -2.848 -12.327
  109    HD2  LYS  15           HD2      LYS  15  11.784  -1.402  -9.859
  110    HD3  LYS  15           HD3      LYS  15  13.028  -2.074 -10.915
  111    HE2  LYS  15           HE2      LYS  15  11.332  -0.840 -12.685
  112    HE3  LYS  15           HE3      LYS  15  11.287   0.241 -11.294
  113    HZ1  LYS  15           HZ1      LYS  15  13.886  -0.151 -11.455
  114    HZ2  LYS  15           HZ2      LYS  15  13.103   1.070 -12.325
  115    HZ3  LYS  15           HZ3      LYS  15  13.498  -0.387 -13.086
  116    H    CYS  16           H        CYS  16   6.973  -1.454 -11.273
  117    HA   CYS  16           HA       CYS  16   5.571  -1.838  -8.937
  118    HB2  CYS  16           HB2      CYS  16   5.250   0.218 -10.041
  119    HB3  CYS  16           HB3      CYS  16   4.787  -0.565 -11.549
  120    H    ASP  17           H        ASP  17   5.046  -3.322 -12.078
  121    HA   ASP  17           HA       ASP  17   2.572  -4.572 -11.327
  122    HB2  ASP  17           HB2      ASP  17   4.344  -5.371 -13.635
  123    HB3  ASP  17           HB3      ASP  17   2.602  -5.579 -13.480
  124    H    ASP  18           H        ASP  18   5.958  -5.523 -11.490
  125    HA   ASP  18           HA       ASP  18   5.587  -8.283 -11.044
  126    HB2  ASP  18           HB2      ASP  18   7.709  -6.974 -11.793
  127    HB3  ASP  18           HB3      ASP  18   8.008  -6.797 -10.066
  128    H    CYS  19           H        CYS  19   6.321  -5.625  -8.794
  129    HA   CYS  19           HA       CYS  19   6.486  -7.077  -6.444
  130    HB2  CYS  19           HB2      CYS  19   6.797  -4.512  -6.954
  131    HB3  CYS  19           HB3      CYS  19   5.116  -4.415  -6.434
  132    H    CYS  20           H        CYS  20   3.646  -5.970  -8.192
  133    HA   CYS  20           HA       CYS  20   1.774  -6.640  -6.147
  134    HB2  CYS  20           HB2      CYS  20   1.421  -6.158  -9.112
  135    HB3  CYS  20           HB3      CYS  20   0.087  -6.396  -7.986
  136    H    GLY  21           H        GLY  21   3.328  -8.385  -8.718
  137    HA2  GLY  21           HA2      GLY  21   2.889 -10.910  -7.771
  138    HA3  GLY  21           HA3      GLY  21   1.468 -10.575  -8.750
  139    H    GLY  22           H        GLY  22   1.943  -9.779 -11.011
  140    HA2  GLY  22           HA2      GLY  22   4.490 -10.700 -12.092
  141    HA3  GLY  22           HA3      GLY  22   3.057 -11.567 -12.624
  142    H    LYS  23           H        LYS  23   4.498 -10.442 -14.551
  143    HA   LYS  23           HA       LYS  23   4.126  -7.792 -15.224
  144    HB2  LYS  23           HB2      LYS  23   5.420  -9.717 -16.431
  145    HB3  LYS  23           HB3      LYS  23   3.920  -9.919 -17.328
  146    HG2  LYS  23           HG2      LYS  23   4.137  -7.921 -18.417
  147    HG3  LYS  23           HG3      LYS  23   5.101  -7.197 -17.128
  148    HD2  LYS  23           HD2      LYS  23   6.608  -7.531 -18.898
  149    HD3  LYS  23           HD3      LYS  23   6.920  -8.861 -17.781
  150    HE2  LYS  23           HE2      LYS  23   6.858  -9.928 -19.838
  151    HE3  LYS  23           HE3      LYS  23   5.218 -10.160 -19.234
  152    HZ1  LYS  23           HZ1      LYS  23   5.550  -7.740 -20.749
  153    HZ2  LYS  23           HZ2      LYS  23   4.371  -8.946 -20.882
  154    HZ3  LYS  23           HZ3      LYS  23   5.865  -9.136 -21.651
  155    H    GLY  24           H        GLY  24   2.351  -6.615 -15.472
  156    HA2  GLY  24           HA2      GLY  24   0.341  -6.137 -16.695
  157    HA3  GLY  24           HA3      GLY  24  -0.001  -7.861 -16.730
  158    H    ARG  25           H        ARG  25   0.847  -7.906 -13.787
  159    HA   ARG  25           HA       ARG  25  -1.814  -7.287 -12.765
  160    HB2  ARG  25           HB2      ARG  25   0.410  -8.594 -11.215
  161    HB3  ARG  25           HB3      ARG  25  -1.324  -8.716 -10.952
  162    HG2  ARG  25           HG2      ARG  25  -1.195  -9.752 -13.412
  163    HG3  ARG  25           HG3      ARG  25   0.418 -10.175 -12.836
  164    HD2  ARG  25           HD2      ARG  25  -0.581 -11.239 -10.862
  165    HD3  ARG  25           HD3      ARG  25  -2.187 -10.836 -11.468
  166    HE   ARG  25           HE       ARG  25  -1.088 -12.245 -13.502
  167   HH11  ARG  25          HH11      ARG  25  -1.471 -12.851 -10.094
  168   HH12  ARG  25          HH12      ARG  25  -1.580 -14.570 -10.279
  169   HH21  ARG  25          HH21      ARG  25  -1.230 -14.507 -13.758
  170   HH22  ARG  25          HH22      ARG  25  -1.442 -15.511 -12.364
  171    H    GLY  26           H        GLY  26  -2.203  -5.422 -11.782
  172    HA2  GLY  26           HA2      GLY  26  -1.691  -4.011  -9.851
  173    HA3  GLY  26           HA3      GLY  26   0.004  -4.140 -10.295
  174    H    LYS  27           H        LYS  27  -0.908  -1.674  -9.875
  175    HA   LYS  27           HA       LYS  27  -0.796  -0.508 -12.543
  176    HB2  LYS  27           HB2      LYS  27  -3.079  -0.211 -10.642
  177    HB3  LYS  27           HB3      LYS  27  -2.606   1.182 -11.605
  178    HG2  LYS  27           HG2      LYS  27  -3.178   0.160 -13.603
  179    HG3  LYS  27           HG3      LYS  27  -3.095  -1.462 -12.911
  180    HD2  LYS  27           HD2      LYS  27  -5.189  -1.336 -12.019
  181    HD3  LYS  27           HD3      LYS  27  -5.094   0.408 -11.766
  182    HE2  LYS  27           HE2      LYS  27  -6.694   0.079 -13.471
  183    HE3  LYS  27           HE3      LYS  27  -5.235   0.652 -14.276
  184    HZ1  LYS  27           HZ1      LYS  27  -6.579  -1.434 -15.132
  185    HZ2  LYS  27           HZ2      LYS  27  -5.581  -2.236 -14.027
  186    HZ3  LYS  27           HZ3      LYS  27  -4.897  -1.333 -15.283
  187    H    CYS  28           H        CYS  28  -0.177   1.744 -12.535
  188    HA   CYS  28           HA       CYS  28   1.315   2.459 -10.101
  189    HB2  CYS  28           HB2      CYS  28   2.652   2.084 -12.172
  190    HB3  CYS  28           HB3      CYS  28   1.787   3.415 -12.931
  191    H    TYR  29           H        TYR  29   0.204   3.866  -8.910
  192    HA   TYR  29           HA       TYR  29  -0.978   6.193 -10.267
  193    HB2  TYR  29           HB2      TYR  29  -2.173   4.636  -7.966
  194    HB3  TYR  29           HB3      TYR  29  -2.795   6.171  -8.563
  195    HD1  TYR  29           HD1      TYR  29  -3.502   2.860  -8.576
  196    HD2  TYR  29           HD2      TYR  29  -2.929   6.030 -11.357
  197    HE1  TYR  29           HE1      TYR  29  -4.878   1.657 -10.221
  198    HE2  TYR  29           HE2      TYR  29  -4.305   4.836 -13.010
  199    HH   TYR  29           HH       TYR  29  -6.296   2.291 -12.249
  200    H    GLY  30           H        GLY  30   0.239   7.878  -9.710
  201    HA2  GLY  30           HA2      GLY  30   1.068   9.524  -8.304
  202    HA3  GLY  30           HA3      GLY  30   0.539   8.568  -6.927
  203    HA   PRO  31           HA       PRO  31   5.154   8.452  -6.990
  204    HB2  PRO  31           HB2      PRO  31   5.420   8.772  -4.307
  205    HB3  PRO  31           HB3      PRO  31   5.260  10.132  -5.426
  206    HG2  PRO  31           HG2      PRO  31   3.179   8.840  -3.705
  207    HG3  PRO  31           HG3      PRO  31   3.471  10.563  -4.005
  208    HD2  PRO  31           HD2      PRO  31   1.510   9.178  -5.258
  209    HD3  PRO  31           HD3      PRO  31   2.370  10.526  -6.030
  210    H    GLN  32           H        GLN  32   2.646   6.714  -5.366
  211    HA   GLN  32           HA       GLN  32   4.522   4.516  -4.797
  212    HB2  GLN  32           HB2      GLN  32   1.873   5.143  -3.482
  213    HB3  GLN  32           HB3      GLN  32   2.869   3.738  -3.126
  214    HG2  GLN  32           HG2      GLN  32   4.607   5.104  -2.233
  215    HG3  GLN  32           HG3      GLN  32   3.799   6.574  -2.776
  216   HE21  GLN  32          HE21      GLN  32   4.027   7.213  -0.531
  217   HE22  GLN  32          HE22      GLN  32   2.843   6.697   0.616
  218    H    CYS  33           H        CYS  33   3.930   2.406  -5.353
  219    HA   CYS  33           HA       CYS  33   2.170   2.241  -7.644
  220    HB2  CYS  33           HB2      CYS  33   4.250   1.072  -7.834
  221    HB3  CYS  33           HB3      CYS  33   3.992   0.242  -6.303
  222    H    LEU  34           H        LEU  34   0.143   1.518  -7.639
  223    HA   LEU  34           HA       LEU  34  -0.843   0.174  -5.209
  224    HB2  LEU  34           HB2      LEU  34  -2.574   1.702  -7.122
  225    HB3  LEU  34           HB3      LEU  34  -2.922   1.227  -5.462
  226    HG   LEU  34           HG       LEU  34  -1.011   3.385  -6.349
  227   HD11  LEU  34          HD11      LEU  34  -2.565   4.932  -5.514
  228   HD12  LEU  34          HD12      LEU  34  -3.511   3.678  -4.712
  229   HD13  LEU  34          HD13      LEU  34  -3.516   3.796  -6.471
  230   HD21  LEU  34          HD21      LEU  34  -1.450   2.031  -3.746
  231   HD22  LEU  34          HD22      LEU  34  -1.219   3.780  -3.732
  232   HD23  LEU  34          HD23      LEU  34   0.018   2.733  -4.428
  233    H    CYS  35           H        CYS  35  -1.353  -1.884  -5.488
  234    HA   CYS  35           HA       CYS  35  -1.591  -3.028  -8.112
  235    HB2  CYS  35           HB2      CYS  35  -2.164  -4.385  -5.476
  236    HB3  CYS  35           HB3      CYS  35  -1.721  -5.144  -7.002
  237    H    ARG  36           H        ARG  36  -3.406  -4.158  -8.940
  238    HA   ARG  36           HA       ARG  36  -5.827  -2.821  -8.811
  239    HB2  ARG  36           HB2      ARG  36  -5.377  -5.718  -9.554
  240    HB3  ARG  36           HB3      ARG  36  -6.791  -4.759  -9.969
  241    HG2  ARG  36           HG2      ARG  36  -4.915  -3.191 -11.026
  242    HG3  ARG  36           HG3      ARG  36  -4.074  -4.739 -11.130
  243    HD2  ARG  36           HD2      ARG  36  -6.720  -3.976 -12.338
  244    HD3  ARG  36           HD3      ARG  36  -5.246  -4.466 -13.171
  245    HE   ARG  36           HE       ARG  36  -7.224  -6.186 -11.984
  246   HH11  ARG  36          HH11      ARG  36  -3.920  -5.902 -13.041
  247   HH12  ARG  36          HH12      ARG  36  -3.707  -7.608 -13.260
  248   HH21  ARG  36          HH21      ARG  36  -6.956  -8.434 -12.268
  249   HH22  ARG  36          HH22      ARG  36  -5.435  -9.046 -12.822
  Start of MODEL   17
    1    H    MET   1           H        MET   1   0.800   0.657   0.194
    2    HA   MET   1           HA       MET   1   1.627  -0.017  -2.220
    3    HB2  MET   1           HB2      MET   1   3.541   1.573  -2.011
    4    HB3  MET   1           HB3      MET   1   2.015   2.210  -1.410
    5    HG2  MET   1           HG2      MET   1   2.763   1.546   0.891
    6    HG3  MET   1           HG3      MET   1   4.344   1.198   0.194
    7    HE1  MET   1           HE1      MET   1   6.088   4.385  -0.147
    8    HE2  MET   1           HE2      MET   1   6.042   2.625  -0.244
    9    HE3  MET   1           HE3      MET   1   5.419   3.599  -1.577
   10    H    CYS   2           H        CYS   2   2.658  -1.711  -3.027
   11    HA   CYS   2           HA       CYS   2   4.375  -3.366  -1.468
   12    HB2  CYS   2           HB2      CYS   2   2.909  -4.128  -3.383
   13    HB3  CYS   2           HB3      CYS   2   4.080  -3.392  -4.474
   14    H    MET   3           H        MET   3   4.880  -0.846  -3.863
   15    HA   MET   3           HA       MET   3   7.581  -0.464  -2.985
   16    HB2  MET   3           HB2      MET   3   8.762  -1.059  -4.924
   17    HB3  MET   3           HB3      MET   3   7.662  -2.405  -4.657
   18    HG2  MET   3           HG2      MET   3   6.150  -1.517  -6.345
   19    HG3  MET   3           HG3      MET   3   7.231  -0.149  -6.601
   20    HE1  MET   3           HE1      MET   3  10.273  -2.197  -6.577
   21    HE2  MET   3           HE2      MET   3  10.301  -1.527  -8.209
   22    HE3  MET   3           HE3      MET   3   9.717  -0.547  -6.863
   23    HA   PRO   4           HA       PRO   4   6.751   3.628  -4.337
   24    HB2  PRO   4           HB2      PRO   4   9.252   4.523  -4.898
   25    HB3  PRO   4           HB3      PRO   4   8.675   4.254  -3.249
   26    HG2  PRO   4           HG2      PRO   4  10.377   2.493  -4.970
   27    HG3  PRO   4           HG3      PRO   4  10.553   2.882  -3.249
   28    HD2  PRO   4           HD2      PRO   4   9.460   0.561  -4.114
   29    HD3  PRO   4           HD3      PRO   4   8.949   1.356  -2.611
   30    H    CYS   5           H        CYS   5   5.937   4.365  -6.189
   31    HA   CYS   5           HA       CYS   5   7.065   3.385  -8.717
   32    HB2  CYS   5           HB2      CYS   5   4.494   3.306  -7.894
   33    HB3  CYS   5           HB3      CYS   5   4.497   4.859  -8.722
   34    H    PHE   6           H        PHE   6   6.787   4.989 -10.584
   35    HA   PHE   6           HA       PHE   6   7.181   7.766  -9.786
   36    HB2  PHE   6           HB2      PHE   6   9.233   6.109 -11.250
   37    HB3  PHE   6           HB3      PHE   6   9.216   7.868 -11.322
   38    HD1  PHE   6           HD1      PHE   6  10.027   9.181  -9.528
   39    HD2  PHE   6           HD2      PHE   6   9.624   4.966  -9.088
   40    HE1  PHE   6           HE1      PHE   6  11.321   9.279  -7.438
   41    HE2  PHE   6           HE2      PHE   6  10.917   5.057  -6.996
   42    HZ   PHE   6           HZ       PHE   6  11.769   7.216  -6.170
   43    H    THR   7           H        THR   7   5.971   8.995 -11.052
   44    HA   THR   7           HA       THR   7   4.670   7.996 -13.367
   45    HB   THR   7           HB       THR   7   3.636   9.722 -11.976
   46    HG1  THR   7           HG1      THR   7   2.708  10.006 -13.871
   47   HG21  THR   7          HG21      THR   7   4.517  11.787 -11.560
   48   HG22  THR   7          HG22      THR   7   5.372  11.853 -13.101
   49   HG23  THR   7          HG23      THR   7   6.021  10.892 -11.773
   50    H    THR   8           H        THR   8   7.494  10.031 -12.854
   51    HA   THR   8           HA       THR   8   7.811  10.776 -15.588
   52    HB   THR   8           HB       THR   8  10.079  11.511 -14.915
   53    HG1  THR   8           HG1      THR   8   9.478  10.846 -12.247
   54   HG21  THR   8          HG21      THR   8   9.320  13.381 -13.841
   55   HG22  THR   8          HG22      THR   8   8.333  12.461 -12.705
   56   HG23  THR   8          HG23      THR   8   7.773  12.713 -14.358
   57    H    ASP   9           H        ASP   9   8.625   7.986 -13.745
   58    HA   ASP   9           HA       ASP   9  10.614   7.067 -15.662
   59    HB2  ASP   9           HB2      ASP   9   9.500   5.718 -13.193
   60    HB3  ASP   9           HB3      ASP   9  10.844   5.126 -14.165
   61    H    HIS  10           H        HIS  10  10.254   5.635 -17.250
   62    HA   HIS  10           HA       HIS  10   7.509   4.725 -17.654
   63    HB2  HIS  10           HB2      HIS  10   9.002   5.888 -19.438
   64    HB3  HIS  10           HB3      HIS  10   9.752   4.304 -19.608
   65    HD1  HIS  10           HD1      HIS  10   6.612   6.175 -20.336
   66    HD2  HIS  10           HD2      HIS  10   8.137   2.340 -20.812
   67    HE1  HIS  10           HE1      HIS  10   5.028   5.012 -21.906
   68    H    GLN  11           H        GLN  11  10.757   3.475 -17.173
   69    HA   GLN  11           HA       GLN  11   9.960   0.732 -17.571
   70    HB2  GLN  11           HB2      GLN  11  12.265   0.200 -16.886
   71    HB3  GLN  11           HB3      GLN  11  12.220   1.413 -18.158
   72    HG2  GLN  11           HG2      GLN  11  12.296   2.391 -15.368
   73    HG3  GLN  11           HG3      GLN  11  13.758   1.634 -16.002
   74   HE21  GLN  11          HE21      GLN  11  13.487   4.350 -15.240
   75   HE22  GLN  11          HE22      GLN  11  13.740   5.318 -16.649
   76    H    MET  12           H        MET  12   9.843   2.961 -15.019
   77    HA   MET  12           HA       MET  12  10.261   1.290 -12.795
   78    HB2  MET  12           HB2      MET  12  10.212   3.722 -12.601
   79    HB3  MET  12           HB3      MET  12   8.516   3.744 -13.066
   80    HG2  MET  12           HG2      MET  12   8.586   4.013 -10.725
   81    HG3  MET  12           HG3      MET  12   8.038   2.367 -11.030
   82    HE1  MET  12           HE1      MET  12   8.377   1.410  -8.926
   83    HE2  MET  12           HE2      MET  12   9.309   0.219  -9.833
   84    HE3  MET  12           HE3      MET  12   9.923   0.838  -8.300
   85    H    ALA  13           H        ALA  13   7.368   2.018 -14.688
   86    HA   ALA  13           HA       ALA  13   5.422   0.843 -13.120
   87    HB1  ALA  13           HB1      ALA  13   4.365   1.776 -14.862
   88    HB2  ALA  13           HB2      ALA  13   5.718   1.498 -15.958
   89    HB3  ALA  13           HB3      ALA  13   4.574   0.199 -15.626
   90    H    ARG  14           H        ARG  14   7.760  -0.675 -15.261
   91    HA   ARG  14           HA       ARG  14   6.711  -3.216 -15.502
   92    HB2  ARG  14           HB2      ARG  14   8.922  -2.147 -16.424
   93    HB3  ARG  14           HB3      ARG  14   9.640  -2.867 -14.990
   94    HG2  ARG  14           HG2      ARG  14   9.390  -4.990 -15.757
   95    HG3  ARG  14           HG3      ARG  14   7.939  -4.603 -16.683
   96    HD2  ARG  14           HD2      ARG  14   9.430  -4.891 -18.391
   97    HD3  ARG  14           HD3      ARG  14   9.636  -3.164 -18.095
   98    HE   ARG  14           HE       ARG  14  11.788  -3.597 -17.500
   99   HH11  ARG  14          HH11      ARG  14   9.935  -6.519 -17.114
  100   HH12  ARG  14          HH12      ARG  14  11.306  -7.486 -16.685
  101   HH21  ARG  14          HH21      ARG  14  13.601  -4.862 -16.935
  102   HH22  ARG  14          HH22      ARG  14  13.391  -6.543 -16.582
  103    H    LYS  15           H        LYS  15   8.912  -2.048 -12.953
  104    HA   LYS  15           HA       LYS  15   8.837  -4.434 -11.439
  105    HB2  LYS  15           HB2      LYS  15   9.518  -1.605 -10.622
  106    HB3  LYS  15           HB3      LYS  15   9.779  -3.019  -9.610
  107    HG2  LYS  15           HG2      LYS  15  11.509  -3.799 -10.909
  108    HG3  LYS  15           HG3      LYS  15  10.958  -2.938 -12.348
  109    HD2  LYS  15           HD2      LYS  15  11.858  -1.397  -9.949
  110    HD3  LYS  15           HD3      LYS  15  13.056  -2.095 -11.042
  111    HE2  LYS  15           HE2      LYS  15  11.319  -0.914 -12.786
  112    HE3  LYS  15           HE3      LYS  15  11.260   0.192 -11.415
  113    HZ1  LYS  15           HZ1      LYS  15  13.665   0.377 -11.502
  114    HZ2  LYS  15           HZ2      LYS  15  12.985   0.816 -12.987
  115    HZ3  LYS  15           HZ3      LYS  15  13.729  -0.692 -12.811
  116    H    CYS  16           H        CYS  16   6.976  -1.435 -11.289
  117    HA   CYS  16           HA       CYS  16   5.615  -1.773  -8.921
  118    HB2  CYS  16           HB2      CYS  16   5.285   0.261 -10.072
  119    HB3  CYS  16           HB3      CYS  16   4.771  -0.558 -11.543
  120    H    ASP  17           H        ASP  17   4.877  -3.175 -12.083
  121    HA   ASP  17           HA       ASP  17   2.484  -4.469 -11.210
  122    HB2  ASP  17           HB2      ASP  17   4.167  -5.175 -13.618
  123    HB3  ASP  17           HB3      ASP  17   2.456  -5.514 -13.372
  124    H    ASP  18           H        ASP  18   5.860  -5.401 -11.508
  125    HA   ASP  18           HA       ASP  18   5.544  -8.169 -11.119
  126    HB2  ASP  18           HB2      ASP  18   7.630  -6.934 -11.898
  127    HB3  ASP  18           HB3      ASP  18   7.925  -6.557 -10.203
  128    H    CYS  19           H        CYS  19   6.292  -5.580  -8.792
  129    HA   CYS  19           HA       CYS  19   6.468  -7.115  -6.494
  130    HB2  CYS  19           HB2      CYS  19   6.814  -4.545  -6.908
  131    HB3  CYS  19           HB3      CYS  19   5.134  -4.435  -6.395
  132    H    CYS  20           H        CYS  20   3.626  -5.931  -8.183
  133    HA   CYS  20           HA       CYS  20   1.751  -6.604  -6.153
  134    HB2  CYS  20           HB2      CYS  20   1.394  -6.165  -9.124
  135    HB3  CYS  20           HB3      CYS  20   0.067  -6.359  -7.982
  136    H    GLY  21           H        GLY  21   3.306  -8.378  -8.704
  137    HA2  GLY  21           HA2      GLY  21   2.851 -10.892  -7.731
  138    HA3  GLY  21           HA3      GLY  21   1.439 -10.560  -8.723
  139    H    GLY  22           H        GLY  22   1.939  -9.784 -10.988
  140    HA2  GLY  22           HA2      GLY  22   4.489 -10.733 -12.039
  141    HA3  GLY  22           HA3      GLY  22   3.054 -11.594 -12.577
  142    H    LYS  23           H        LYS  23   4.523 -10.495 -14.498
  143    HA   LYS  23           HA       LYS  23   4.174  -7.848 -15.197
  144    HB2  LYS  23           HB2      LYS  23   5.624  -9.342 -16.453
  145    HB3  LYS  23           HB3      LYS  23   4.237 -10.277 -16.998
  146    HG2  LYS  23           HG2      LYS  23   3.500  -8.569 -18.418
  147    HG3  LYS  23           HG3      LYS  23   4.516  -7.358 -17.631
  148    HD2  LYS  23           HD2      LYS  23   6.516  -8.522 -18.476
  149    HD3  LYS  23           HD3      LYS  23   5.474  -9.683 -19.303
  150    HE2  LYS  23           HE2      LYS  23   4.584  -7.975 -20.720
  151    HE3  LYS  23           HE3      LYS  23   5.385  -6.710 -19.789
  152    HZ1  LYS  23           HZ1      LYS  23   7.439  -7.258 -20.650
  153    HZ2  LYS  23           HZ2      LYS  23   6.431  -7.489 -21.988
  154    HZ3  LYS  23           HZ3      LYS  23   6.971  -8.821 -21.096
  155    H    GLY  24           H        GLY  24   2.407  -6.663 -15.470
  156    HA2  GLY  24           HA2      GLY  24   0.414  -6.183 -16.719
  157    HA3  GLY  24           HA3      GLY  24   0.063  -7.905 -16.746
  158    H    ARG  25           H        ARG  25   0.878  -7.935 -13.794
  159    HA   ARG  25           HA       ARG  25  -1.788  -7.290 -12.804
  160    HB2  ARG  25           HB2      ARG  25   0.401  -8.608 -11.218
  161    HB3  ARG  25           HB3      ARG  25  -1.339  -8.720 -10.985
  162    HG2  ARG  25           HG2      ARG  25  -1.168  -9.762 -13.441
  163    HG3  ARG  25           HG3      ARG  25   0.430 -10.195 -12.830
  164    HD2  ARG  25           HD2      ARG  25  -0.438 -11.510 -11.125
  165    HD3  ARG  25           HD3      ARG  25  -2.011 -10.715 -11.180
  166    HE   ARG  25           HE       ARG  25  -1.611 -11.997 -13.625
  167   HH11  ARG  25          HH11      ARG  25  -2.042 -12.809 -10.267
  168   HH12  ARG  25          HH12      ARG  25  -2.781 -14.340 -10.597
  169   HH21  ARG  25          HH21      ARG  25  -2.582 -14.012 -14.073
  170   HH22  ARG  25          HH22      ARG  25  -3.088 -15.024 -12.763
  171    H    GLY  26           H        GLY  26  -2.178  -5.429 -11.812
  172    HA2  GLY  26           HA2      GLY  26  -1.636  -4.040  -9.858
  173    HA3  GLY  26           HA3      GLY  26   0.046  -4.135 -10.358
  174    H    LYS  27           H        LYS  27  -0.612  -1.693  -9.955
  175    HA   LYS  27           HA       LYS  27  -0.659  -0.500 -12.579
  176    HB2  LYS  27           HB2      LYS  27  -3.109  -0.810 -11.447
  177    HB3  LYS  27           HB3      LYS  27  -2.654   0.763 -10.806
  178    HG2  LYS  27           HG2      LYS  27  -2.801   1.779 -12.816
  179    HG3  LYS  27           HG3      LYS  27  -2.231   0.360 -13.698
  180    HD2  LYS  27           HD2      LYS  27  -4.908   0.275 -12.382
  181    HD3  LYS  27           HD3      LYS  27  -4.725   1.157 -13.900
  182    HE2  LYS  27           HE2      LYS  27  -3.828  -0.850 -14.962
  183    HE3  LYS  27           HE3      LYS  27  -3.980  -1.732 -13.443
  184    HZ1  LYS  27           HZ1      LYS  27  -6.355  -1.471 -13.534
  185    HZ2  LYS  27           HZ2      LYS  27  -5.822  -2.165 -14.982
  186    HZ3  LYS  27           HZ3      LYS  27  -6.249  -0.528 -14.934
  187    H    CYS  28           H        CYS  28   0.023   1.694 -12.582
  188    HA   CYS  28           HA       CYS  28   1.428   2.451 -10.115
  189    HB2  CYS  28           HB2      CYS  28   2.773   2.106 -12.202
  190    HB3  CYS  28           HB3      CYS  28   1.915   3.463 -12.921
  191    H    TYR  29           H        TYR  29   0.279   3.831  -8.928
  192    HA   TYR  29           HA       TYR  29  -0.979   6.116 -10.297
  193    HB2  TYR  29           HB2      TYR  29  -2.049   4.477  -7.999
  194    HB3  TYR  29           HB3      TYR  29  -2.677   6.070  -8.407
  195    HD1  TYR  29           HD1      TYR  29  -3.219   2.675  -8.822
  196    HD2  TYR  29           HD2      TYR  29  -3.231   6.303 -11.045
  197    HE1  TYR  29           HE1      TYR  29  -4.727   1.651 -10.474
  198    HE2  TYR  29           HE2      TYR  29  -4.739   5.289 -12.702
  199    HH   TYR  29           HH       TYR  29  -5.837   3.466 -13.320
  200    H    GLY  30           H        GLY  30   0.291   7.803  -9.846
  201    HA2  GLY  30           HA2      GLY  30   1.181   9.499  -8.548
  202    HA3  GLY  30           HA3      GLY  30   0.585   8.664  -7.120
  203    HA   PRO  31           HA       PRO  31   5.178   8.386  -6.989
  204    HB2  PRO  31           HB2      PRO  31   5.337   8.750  -4.304
  205    HB3  PRO  31           HB3      PRO  31   5.257  10.092  -5.452
  206    HG2  PRO  31           HG2      PRO  31   3.075   8.879  -3.799
  207    HG3  PRO  31           HG3      PRO  31   3.419  10.590  -4.117
  208    HD2  PRO  31           HD2      PRO  31   1.483   9.225  -5.428
  209    HD3  PRO  31           HD3      PRO  31   2.405  10.539  -6.186
  210    H    GLN  32           H        GLN  32   2.571   6.754  -5.392
  211    HA   GLN  32           HA       GLN  32   4.368   4.534  -4.681
  212    HB2  GLN  32           HB2      GLN  32   1.611   5.162  -3.611
  213    HB3  GLN  32           HB3      GLN  32   2.620   3.811  -3.112
  214    HG2  GLN  32           HG2      GLN  32   4.129   5.184  -2.002
  215    HG3  GLN  32           HG3      GLN  32   3.596   6.627  -2.863
  216   HE21  GLN  32          HE21      GLN  32   3.808   6.869  -0.242
  217   HE22  GLN  32          HE22      GLN  32   2.262   6.881   0.528
  218    H    CYS  33           H        CYS  33   3.755   2.401  -5.188
  219    HA   CYS  33           HA       CYS  33   2.141   2.216  -7.604
  220    HB2  CYS  33           HB2      CYS  33   4.260   1.111  -7.726
  221    HB3  CYS  33           HB3      CYS  33   3.978   0.268  -6.206
  222    H    LEU  34           H        LEU  34   0.067   1.695  -7.525
  223    HA   LEU  34           HA       LEU  34  -0.940   0.233  -5.181
  224    HB2  LEU  34           HB2      LEU  34  -2.627   1.717  -7.169
  225    HB3  LEU  34           HB3      LEU  34  -3.038   1.230  -5.526
  226    HG   LEU  34           HG       LEU  34  -1.116   3.419  -6.309
  227   HD11  LEU  34          HD11      LEU  34  -3.634   3.770  -6.587
  228   HD12  LEU  34          HD12      LEU  34  -2.741   4.953  -5.630
  229   HD13  LEU  34          HD13      LEU  34  -3.706   3.715  -4.825
  230   HD21  LEU  34          HD21      LEU  34  -1.911   3.465  -3.568
  231   HD22  LEU  34          HD22      LEU  34  -0.290   3.339  -4.253
  232   HD23  LEU  34          HD23      LEU  34  -1.234   1.880  -3.947
  233    H    CYS  35           H        CYS  35  -1.435  -1.831  -5.449
  234    HA   CYS  35           HA       CYS  35  -1.577  -2.990  -8.085
  235    HB2  CYS  35           HB2      CYS  35  -2.080  -4.345  -5.432
  236    HB3  CYS  35           HB3      CYS  35  -1.669  -5.116  -6.960
  237    H    ARG  36           H        ARG  36  -3.347  -4.165  -8.933
  238    HA   ARG  36           HA       ARG  36  -5.903  -2.983  -8.295
  239    HB2  ARG  36           HB2      ARG  36  -6.723  -4.211 -10.246
  240    HB3  ARG  36           HB3      ARG  36  -5.254  -3.324 -10.632
  241    HG2  ARG  36           HG2      ARG  36  -3.978  -5.246 -10.794
  242    HG3  ARG  36           HG3      ARG  36  -5.106  -6.196  -9.825
  243    HD2  ARG  36           HD2      ARG  36  -5.803  -5.089 -12.535
  244    HD3  ARG  36           HD3      ARG  36  -5.078  -6.680 -12.309
  245    HE   ARG  36           HE       ARG  36  -7.799  -5.930 -11.800
  246   HH11  ARG  36          HH11      ARG  36  -5.247  -8.140 -10.950
  247   HH12  ARG  36          HH12      ARG  36  -6.326  -9.383 -10.409
  248   HH21  ARG  36          HH21      ARG  36  -9.229  -7.560 -11.092
  249   HH22  ARG  36          HH22      ARG  36  -8.591  -9.053 -10.492
  Start of MODEL   18
    1    H    MET   1           H        MET   1   1.327   0.249   0.579
    2    HA   MET   1           HA       MET   1   1.608  -0.132  -2.285
    3    HB2  MET   1           HB2      MET   1   1.929   2.107  -1.524
    4    HB3  MET   1           HB3      MET   1   3.063   1.592  -0.282
    5    HG2  MET   1           HG2      MET   1   3.838   0.892  -3.021
    6    HG3  MET   1           HG3      MET   1   3.756   2.620  -2.689
    7    HE1  MET   1           HE1      MET   1   5.489   3.904  -1.018
    8    HE2  MET   1           HE2      MET   1   4.469   3.042   0.136
    9    HE3  MET   1           HE3      MET   1   6.224   3.002   0.309
   10    H    CYS   2           H        CYS   2   2.721  -1.780  -3.079
   11    HA   CYS   2           HA       CYS   2   4.459  -3.374  -1.469
   12    HB2  CYS   2           HB2      CYS   2   3.037  -4.222  -3.373
   13    HB3  CYS   2           HB3      CYS   2   4.172  -3.449  -4.476
   14    H    MET   3           H        MET   3   4.907  -0.883  -3.907
   15    HA   MET   3           HA       MET   3   7.600  -0.427  -3.018
   16    HB2  MET   3           HB2      MET   3   8.778  -0.961  -4.986
   17    HB3  MET   3           HB3      MET   3   7.740  -2.349  -4.691
   18    HG2  MET   3           HG2      MET   3   6.160  -1.537  -6.355
   19    HG3  MET   3           HG3      MET   3   7.175  -0.125  -6.637
   20    HE1  MET   3           HE1      MET   3   9.682  -0.500  -6.776
   21    HE2  MET   3           HE2      MET   3  10.365  -2.125  -6.826
   22    HE3  MET   3           HE3      MET   3  10.196  -1.193  -8.315
   23    HA   PRO   4           HA       PRO   4   6.659   3.655  -4.330
   24    HB2  PRO   4           HB2      PRO   4   9.137   4.619  -4.878
   25    HB3  PRO   4           HB3      PRO   4   8.565   4.319  -3.232
   26    HG2  PRO   4           HG2      PRO   4  10.314   2.620  -4.969
   27    HG3  PRO   4           HG3      PRO   4  10.479   2.998  -3.244
   28    HD2  PRO   4           HD2      PRO   4   9.446   0.657  -4.131
   29    HD3  PRO   4           HD3      PRO   4   8.914   1.424  -2.622
   30    H    CYS   5           H        CYS   5   5.829   4.386  -6.175
   31    HA   CYS   5           HA       CYS   5   7.008   3.481  -8.711
   32    HB2  CYS   5           HB2      CYS   5   4.432   3.274  -7.887
   33    HB3  CYS   5           HB3      CYS   5   4.370   4.811  -8.744
   34    H    PHE   6           H        PHE   6   6.681   5.082 -10.558
   35    HA   PHE   6           HA       PHE   6   6.889   7.871  -9.733
   36    HB2  PHE   6           HB2      PHE   6   9.061   6.369 -11.193
   37    HB3  PHE   6           HB3      PHE   6   8.944   8.125 -11.204
   38    HD1  PHE   6           HD1      PHE   6   9.671   9.414  -9.363
   39    HD2  PHE   6           HD2      PHE   6   9.458   5.174  -9.052
   40    HE1  PHE   6           HE1      PHE   6  10.922   9.509  -7.247
   41    HE2  PHE   6           HE2      PHE   6  10.708   5.263  -6.935
   42    HZ   PHE   6           HZ       PHE   6  11.441   7.433  -6.029
   43    H    THR   7           H        THR   7   6.289   9.334 -11.303
   44    HA   THR   7           HA       THR   7   4.801   8.222 -13.527
   45    HB   THR   7           HB       THR   7   3.978  10.486 -13.894
   46    HG1  THR   7           HG1      THR   7   5.136  12.121 -13.241
   47   HG21  THR   7          HG21      THR   7   2.818  10.823 -11.789
   48   HG22  THR   7          HG22      THR   7   4.007   9.830 -10.945
   49   HG23  THR   7          HG23      THR   7   2.931   9.098 -12.136
   50    H    THR   8           H        THR   8   7.683  10.163 -12.992
   51    HA   THR   8           HA       THR   8   8.092  10.827 -15.737
   52    HB   THR   8           HB       THR   8   9.091  12.232 -14.051
   53    HG1  THR   8           HG1      THR   8  10.276  12.001 -16.006
   54   HG21  THR   8          HG21      THR   8   9.769   9.755 -12.828
   55   HG22  THR   8          HG22      THR   8   9.958  11.386 -12.183
   56   HG23  THR   8          HG23      THR   8  11.260  10.650 -13.117
   57    H    ASP   9           H        ASP   9   8.787   8.073 -13.785
   58    HA   ASP   9           HA       ASP   9  10.795   7.035 -15.611
   59    HB2  ASP   9           HB2      ASP   9   9.563   5.939 -13.080
   60    HB3  ASP   9           HB3      ASP   9  10.723   5.040 -14.054
   61    H    HIS  10           H        HIS  10  10.438   5.611 -17.201
   62    HA   HIS  10           HA       HIS  10   7.683   4.775 -17.686
   63    HB2  HIS  10           HB2      HIS  10  10.143   4.998 -19.385
   64    HB3  HIS  10           HB3      HIS  10   8.819   3.958 -19.902
   65    HD1  HIS  10           HD1      HIS  10   8.185   7.226 -18.171
   66    HD2  HIS  10           HD2      HIS  10   8.067   5.618 -22.000
   67    HE1  HIS  10           HE1      HIS  10   7.023   8.948 -19.587
   68    H    GLN  11           H        GLN  11  10.873   3.440 -17.076
   69    HA   GLN  11           HA       GLN  11  10.018   0.716 -17.483
   70    HB2  GLN  11           HB2      GLN  11  12.275   0.121 -16.738
   71    HB3  GLN  11           HB3      GLN  11  12.323   1.366 -17.978
   72    HG2  GLN  11           HG2      GLN  11  12.314   2.257 -15.155
   73    HG3  GLN  11           HG3      GLN  11  13.779   1.491 -15.767
   74   HE21  GLN  11          HE21      GLN  11  14.039   3.997 -14.980
   75   HE22  GLN  11          HE22      GLN  11  14.165   5.081 -16.320
   76    H    MET  12           H        MET  12   9.861   2.969 -14.956
   77    HA   MET  12           HA       MET  12  10.157   1.327 -12.698
   78    HB2  MET  12           HB2      MET  12  10.119   3.759 -12.534
   79    HB3  MET  12           HB3      MET  12   8.448   3.791 -13.080
   80    HG2  MET  12           HG2      MET  12   8.344   4.077 -10.765
   81    HG3  MET  12           HG3      MET  12   7.904   2.393 -11.041
   82    HE1  MET  12           HE1      MET  12   8.184   1.252  -9.242
   83    HE2  MET  12           HE2      MET  12   9.557   0.264  -9.740
   84    HE3  MET  12           HE3      MET  12   9.578   1.080  -8.176
   85    H    ALA  13           H        ALA  13   7.347   2.055 -14.716
   86    HA   ALA  13           HA       ALA  13   5.334   0.906 -13.212
   87    HB1  ALA  13           HB1      ALA  13   4.350   0.347 -15.559
   88    HB2  ALA  13           HB2      ALA  13   4.572   2.029 -15.075
   89    HB3  ALA  13           HB3      ALA  13   5.740   1.259 -16.149
   90    H    ARG  14           H        ARG  14   7.735  -0.641 -15.261
   91    HA   ARG  14           HA       ARG  14   6.657  -3.182 -15.493
   92    HB2  ARG  14           HB2      ARG  14   8.911  -2.090 -16.373
   93    HB3  ARG  14           HB3      ARG  14   9.581  -2.924 -14.977
   94    HG2  ARG  14           HG2      ARG  14   7.834  -4.433 -16.856
   95    HG3  ARG  14           HG3      ARG  14   9.499  -4.077 -17.322
   96    HD2  ARG  14           HD2      ARG  14   9.833  -6.069 -16.269
   97    HD3  ARG  14           HD3      ARG  14   9.983  -4.989 -14.884
   98    HE   ARG  14           HE       ARG  14   7.359  -5.578 -14.877
   99   HH11  ARG  14          HH11      ARG  14  10.213  -7.563 -15.075
  100   HH12  ARG  14          HH12      ARG  14   9.483  -8.920 -14.282
  101   HH21  ARG  14          HH21      ARG  14   6.387  -7.356 -13.831
  102   HH22  ARG  14          HH22      ARG  14   7.306  -8.801 -13.576
  103    H    LYS  15           H        LYS  15   8.962  -2.070 -13.005
  104    HA   LYS  15           HA       LYS  15   8.873  -4.402 -11.451
  105    HB2  LYS  15           HB2      LYS  15   9.475  -1.557 -10.619
  106    HB3  LYS  15           HB3      LYS  15   9.801  -2.981  -9.638
  107    HG2  LYS  15           HG2      LYS  15  11.493  -3.723 -11.060
  108    HG3  LYS  15           HG3      LYS  15  10.952  -2.693 -12.389
  109    HD2  LYS  15           HD2      LYS  15  11.920  -1.509  -9.809
  110    HD3  LYS  15           HD3      LYS  15  13.057  -2.001 -11.066
  111    HE2  LYS  15           HE2      LYS  15  11.329  -0.584 -12.550
  112    HE3  LYS  15           HE3      LYS  15  11.133   0.245 -11.007
  113    HZ1  LYS  15           HZ1      LYS  15  12.983   0.938 -12.721
  114    HZ2  LYS  15           HZ2      LYS  15  13.856  -0.278 -11.935
  115    HZ3  LYS  15           HZ3      LYS  15  13.249   1.031 -11.053
  116    H    CYS  16           H        CYS  16   6.953  -1.437 -11.322
  117    HA   CYS  16           HA       CYS  16   5.589  -1.796  -8.956
  118    HB2  CYS  16           HB2      CYS  16   5.241   0.231 -10.128
  119    HB3  CYS  16           HB3      CYS  16   4.716  -0.609 -11.584
  120    H    ASP  17           H        ASP  17   4.937  -3.254 -12.106
  121    HA   ASP  17           HA       ASP  17   2.544  -4.574 -11.253
  122    HB2  ASP  17           HB2      ASP  17   4.252  -5.301 -13.634
  123    HB3  ASP  17           HB3      ASP  17   2.532  -5.603 -13.409
  124    H    ASP  18           H        ASP  18   5.941  -5.442 -11.504
  125    HA   ASP  18           HA       ASP  18   5.663  -8.214 -11.093
  126    HB2  ASP  18           HB2      ASP  18   7.741  -6.702 -11.767
  127    HB3  ASP  18           HB3      ASP  18   8.062  -6.790 -10.038
  128    H    CYS  19           H        CYS  19   6.390  -5.590  -8.798
  129    HA   CYS  19           HA       CYS  19   6.579  -7.096  -6.482
  130    HB2  CYS  19           HB2      CYS  19   6.888  -4.519  -6.942
  131    HB3  CYS  19           HB3      CYS  19   5.219  -4.434  -6.388
  132    H    CYS  20           H        CYS  20   3.727  -5.952  -8.181
  133    HA   CYS  20           HA       CYS  20   1.864  -6.629  -6.136
  134    HB2  CYS  20           HB2      CYS  20   1.511  -6.153  -9.100
  135    HB3  CYS  20           HB3      CYS  20   0.175  -6.408  -7.982
  136    H    GLY  21           H        GLY  21   3.416  -8.388  -8.699
  137    HA2  GLY  21           HA2      GLY  21   3.014 -10.907  -7.752
  138    HA3  GLY  21           HA3      GLY  21   1.555 -10.587  -8.679
  139    H    GLY  22           H        GLY  22   1.926  -9.817 -10.959
  140    HA2  GLY  22           HA2      GLY  22   4.440 -10.763 -12.120
  141    HA3  GLY  22           HA3      GLY  22   2.963 -11.568 -12.630
  142    H    LYS  23           H        LYS  23   4.402 -10.455 -14.570
  143    HA   LYS  23           HA       LYS  23   4.076  -7.775 -15.176
  144    HB2  LYS  23           HB2      LYS  23   5.454  -9.432 -16.454
  145    HB3  LYS  23           HB3      LYS  23   3.967 -10.046 -17.167
  146    HG2  LYS  23           HG2      LYS  23   4.656  -8.610 -18.800
  147    HG3  LYS  23           HG3      LYS  23   3.624  -7.539 -17.849
  148    HD2  LYS  23           HD2      LYS  23   5.580  -6.300 -18.233
  149    HD3  LYS  23           HD3      LYS  23   5.749  -6.902 -16.582
  150    HE2  LYS  23           HE2      LYS  23   7.838  -7.298 -17.542
  151    HE3  LYS  23           HE3      LYS  23   7.026  -8.860 -17.637
  152    HZ1  LYS  23           HZ1      LYS  23   6.329  -7.734 -19.968
  153    HZ2  LYS  23           HZ2      LYS  23   7.649  -8.772 -19.770
  154    HZ3  LYS  23           HZ3      LYS  23   7.882  -7.097 -19.759
  155    H    GLY  24           H        GLY  24   2.312  -6.573 -15.373
  156    HA2  GLY  24           HA2      GLY  24   0.302  -6.037 -16.571
  157    HA3  GLY  24           HA3      GLY  24  -0.058  -7.754 -16.659
  158    H    ARG  25           H        ARG  25   0.800  -7.899 -13.722
  159    HA   ARG  25           HA       ARG  25  -1.854  -7.353 -12.670
  160    HB2  ARG  25           HB2      ARG  25   0.451  -8.562 -11.155
  161    HB3  ARG  25           HB3      ARG  25  -1.269  -8.736 -10.838
  162    HG2  ARG  25           HG2      ARG  25  -1.201  -9.795 -13.280
  163    HG3  ARG  25           HG3      ARG  25   0.456 -10.142 -12.781
  164    HD2  ARG  25           HD2      ARG  25  -0.198 -11.566 -11.113
  165    HD3  ARG  25           HD3      ARG  25  -1.744 -10.751 -10.877
  166    HE   ARG  25           HE       ARG  25  -2.669 -12.205 -12.367
  167   HH11  ARG  25          HH11      ARG  25   0.774 -12.146 -12.870
  168   HH12  ARG  25          HH12      ARG  25   0.756 -13.415 -14.049
  169   HH21  ARG  25          HH21      ARG  25  -2.708 -13.878 -13.918
  170   HH22  ARG  25          HH22      ARG  25  -1.226 -14.399 -14.645
  171    H    GLY  26           H        GLY  26  -2.328  -5.511 -11.681
  172    HA2  GLY  26           HA2      GLY  26  -1.906  -4.041  -9.794
  173    HA3  GLY  26           HA3      GLY  26  -0.193  -4.146 -10.169
  174    H    LYS  27           H        LYS  27  -0.759  -1.705  -9.892
  175    HA   LYS  27           HA       LYS  27  -0.710  -0.579 -12.547
  176    HB2  LYS  27           HB2      LYS  27  -3.191  -0.794 -11.555
  177    HB3  LYS  27           HB3      LYS  27  -2.726   0.722 -10.795
  178    HG2  LYS  27           HG2      LYS  27  -2.769   1.866 -12.733
  179    HG3  LYS  27           HG3      LYS  27  -2.151   0.508 -13.675
  180    HD2  LYS  27           HD2      LYS  27  -4.904   0.350 -12.538
  181    HD3  LYS  27           HD3      LYS  27  -4.625   1.338 -13.974
  182    HE2  LYS  27           HE2      LYS  27  -3.536  -0.670 -15.016
  183    HE3  LYS  27           HE3      LYS  27  -4.096  -1.609 -13.635
  184    HZ1  LYS  27           HZ1      LYS  27  -6.285  -1.399 -14.267
  185    HZ2  LYS  27           HZ2      LYS  27  -5.518  -1.522 -15.768
  186    HZ3  LYS  27           HZ3      LYS  27  -6.013  -0.010 -15.194
  187    H    CYS  28           H        CYS  28  -0.037   1.643 -12.569
  188    HA   CYS  28           HA       CYS  28   1.386   2.391 -10.106
  189    HB2  CYS  28           HB2      CYS  28   2.762   1.997 -12.145
  190    HB3  CYS  28           HB3      CYS  28   1.910   3.318 -12.937
  191    H    TYR  29           H        TYR  29   0.256   3.809  -8.946
  192    HA   TYR  29           HA       TYR  29  -0.945   6.101 -10.353
  193    HB2  TYR  29           HB2      TYR  29  -2.065   4.512  -8.045
  194    HB3  TYR  29           HB3      TYR  29  -2.654   6.115  -8.471
  195    HD1  TYR  29           HD1      TYR  29  -3.181   2.693  -8.917
  196    HD2  TYR  29           HD2      TYR  29  -3.276   6.370 -11.055
  197    HE1  TYR  29           HE1      TYR  29  -4.702   1.687 -10.568
  198    HE2  TYR  29           HE2      TYR  29  -4.798   5.375 -12.711
  199    HH   TYR  29           HH       TYR  29  -6.300   2.313 -12.222
  200    H    GLY  30           H        GLY  30   0.424   7.727  -9.931
  201    HA2  GLY  30           HA2      GLY  30   1.348   9.424  -8.659
  202    HA3  GLY  30           HA3      GLY  30   0.680   8.660  -7.224
  203    HA   PRO  31           HA       PRO  31   5.261   8.193  -6.995
  204    HB2  PRO  31           HB2      PRO  31   5.400   8.712  -4.335
  205    HB3  PRO  31           HB3      PRO  31   5.405   9.983  -5.563
  206    HG2  PRO  31           HG2      PRO  31   3.141   8.986  -3.878
  207    HG3  PRO  31           HG3      PRO  31   3.577  10.654  -4.292
  208    HD2  PRO  31           HD2      PRO  31   1.591   9.311  -5.553
  209    HD3  PRO  31           HD3      PRO  31   2.590  10.528  -6.372
  210    H    GLN  32           H        GLN  32   2.534   6.689  -5.597
  211    HA   GLN  32           HA       GLN  32   4.210   4.473  -4.618
  212    HB2  GLN  32           HB2      GLN  32   1.482   5.364  -3.675
  213    HB3  GLN  32           HB3      GLN  32   2.282   3.893  -3.142
  214    HG2  GLN  32           HG2      GLN  32   4.079   5.184  -2.166
  215    HG3  GLN  32           HG3      GLN  32   3.359   6.677  -2.768
  216   HE21  GLN  32          HE21      GLN  32   3.975   5.729  -0.027
  217   HE22  GLN  32          HE22      GLN  32   2.491   5.870   0.844
  218    H    CYS  33           H        CYS  33   3.793   2.433  -5.323
  219    HA   CYS  33           HA       CYS  33   2.129   2.182  -7.670
  220    HB2  CYS  33           HB2      CYS  33   4.249   1.081  -7.762
  221    HB3  CYS  33           HB3      CYS  33   3.960   0.262  -6.229
  222    H    LEU  34           H        LEU  34   0.044   1.710  -7.574
  223    HA   LEU  34           HA       LEU  34  -0.977   0.249  -5.237
  224    HB2  LEU  34           HB2      LEU  34  -2.628   1.751  -7.245
  225    HB3  LEU  34           HB3      LEU  34  -3.082   1.238  -5.621
  226    HG   LEU  34           HG       LEU  34  -1.128   3.431  -6.316
  227   HD11  LEU  34          HD11      LEU  34  -3.652   3.780  -6.648
  228   HD12  LEU  34          HD12      LEU  34  -2.762   4.965  -5.693
  229   HD13  LEU  34          HD13      LEU  34  -3.743   3.741  -4.887
  230   HD21  LEU  34          HD21      LEU  34  -0.522   2.213  -4.263
  231   HD22  LEU  34          HD22      LEU  34  -2.135   2.525  -3.620
  232   HD23  LEU  34          HD23      LEU  34  -1.036   3.868  -3.937
  233    H    CYS  35           H        CYS  35  -1.315  -1.843  -5.538
  234    HA   CYS  35           HA       CYS  35  -1.456  -3.026  -8.134
  235    HB2  CYS  35           HB2      CYS  35  -2.113  -4.304  -5.473
  236    HB3  CYS  35           HB3      CYS  35  -1.684  -5.131  -6.967
  237    H    ARG  36           H        ARG  36  -3.206  -2.626  -9.348
  238    HA   ARG  36           HA       ARG  36  -5.760  -2.001  -8.514
  239    HB2  ARG  36           HB2      ARG  36  -6.505  -2.577 -10.751
  240    HB3  ARG  36           HB3      ARG  36  -4.949  -1.762 -10.833
  241    HG2  ARG  36           HG2      ARG  36  -3.814  -3.727 -11.379
  242    HG3  ARG  36           HG3      ARG  36  -5.146  -4.751 -10.840
  243    HD2  ARG  36           HD2      ARG  36  -5.585  -2.824 -13.075
  244    HD3  ARG  36           HD3      ARG  36  -4.732  -4.334 -13.392
  245    HE   ARG  36           HE       ARG  36  -7.537  -4.005 -12.853
  246   HH11  ARG  36          HH11      ARG  36  -4.840  -6.204 -12.761
  247   HH12  ARG  36          HH12      ARG  36  -5.828  -7.625 -12.838
  248   HH21  ARG  36          HH21      ARG  36  -8.849  -5.868 -12.955
  249   HH22  ARG  36          HH22      ARG  36  -8.108  -7.433 -12.950
  Start of MODEL   19
    1    H    MET   1           H        MET   1   1.885  -0.056   0.973
    2    HA   MET   1           HA       MET   1   1.422  -0.168  -1.918
    3    HB2  MET   1           HB2      MET   1   3.300   1.400  -2.298
    4    HB3  MET   1           HB3      MET   1   1.938   2.155  -1.481
    5    HG2  MET   1           HG2      MET   1   3.556   2.968  -0.153
    6    HG3  MET   1           HG3      MET   1   3.370   1.411   0.652
    7    HE1  MET   1           HE1      MET   1   6.374   3.183   0.793
    8    HE2  MET   1           HE2      MET   1   7.071   3.194  -0.827
    9    HE3  MET   1           HE3      MET   1   5.479   3.900  -0.548
   10    H    CYS   2           H        CYS   2   2.736  -1.549  -2.990
   11    HA   CYS   2           HA       CYS   2   4.410  -3.288  -1.416
   12    HB2  CYS   2           HB2      CYS   2   2.897  -4.045  -3.302
   13    HB3  CYS   2           HB3      CYS   2   4.051  -3.316  -4.414
   14    H    MET   3           H        MET   3   4.853  -0.767  -3.821
   15    HA   MET   3           HA       MET   3   7.566  -0.362  -3.004
   16    HB2  MET   3           HB2      MET   3   8.720  -0.976  -4.957
   17    HB3  MET   3           HB3      MET   3   7.640  -2.328  -4.643
   18    HG2  MET   3           HG2      MET   3   6.089  -1.499  -6.321
   19    HG3  MET   3           HG3      MET   3   7.136  -0.113  -6.617
   20    HE1  MET   3           HE1      MET   3  10.215  -2.069  -6.609
   21    HE2  MET   3           HE2      MET   3  10.206  -1.466  -8.267
   22    HE3  MET   3           HE3      MET   3   9.619  -0.444  -6.953
   23    HA   PRO   4           HA       PRO   4   6.684   3.703  -4.406
   24    HB2  PRO   4           HB2      PRO   4   9.171   4.607  -5.013
   25    HB3  PRO   4           HB3      PRO   4   8.618   4.358  -3.353
   26    HG2  PRO   4           HG2      PRO   4  10.310   2.585  -5.071
   27    HG3  PRO   4           HG3      PRO   4  10.506   3.002  -3.359
   28    HD2  PRO   4           HD2      PRO   4   9.419   0.659  -4.173
   29    HD3  PRO   4           HD3      PRO   4   8.922   1.473  -2.676
   30    H    CYS   5           H        CYS   5   5.839   4.404  -6.257
   31    HA   CYS   5           HA       CYS   5   6.963   3.414  -8.786
   32    HB2  CYS   5           HB2      CYS   5   4.407   3.245  -7.939
   33    HB3  CYS   5           HB3      CYS   5   4.340   4.795  -8.772
   34    H    PHE   6           H        PHE   6   6.661   4.970 -10.667
   35    HA   PHE   6           HA       PHE   6   6.919   7.777  -9.921
   36    HB2  PHE   6           HB2      PHE   6   9.061   6.201 -11.349
   37    HB3  PHE   6           HB3      PHE   6   8.975   7.958 -11.397
   38    HD1  PHE   6           HD1      PHE   6   9.663   9.281  -9.548
   39    HD2  PHE   6           HD2      PHE   6   9.511   5.039  -9.223
   40    HE1  PHE   6           HE1      PHE   6  10.921   9.400  -7.436
   41    HE2  PHE   6           HE2      PHE   6  10.769   5.152  -7.111
   42    HZ   PHE   6           HZ       PHE   6  11.476   7.335  -6.216
   43    H    THR   7           H        THR   7   5.652   8.909 -11.219
   44    HA   THR   7           HA       THR   7   4.438   7.815 -13.530
   45    HB   THR   7           HB       THR   7   3.416   9.981 -13.856
   46    HG1  THR   7           HG1      THR   7   4.407  11.747 -13.250
   47   HG21  THR   7          HG21      THR   7   3.213  10.235 -11.022
   48   HG22  THR   7          HG22      THR   7   3.314   8.522 -11.429
   49   HG23  THR   7          HG23      THR   7   2.058   9.527 -12.151
   50    H    THR   8           H        THR   8   7.182   9.955 -13.031
   51    HA   THR   8           HA       THR   8   7.502  10.648 -15.782
   52    HB   THR   8           HB       THR   8   8.399  12.065 -13.977
   53    HG1  THR   8           HG1      THR   8  10.384  12.462 -15.018
   54   HG21  THR   8          HG21      THR   8  10.827  10.582 -13.488
   55   HG22  THR   8          HG22      THR   8   9.413   9.657 -12.982
   56   HG23  THR   8          HG23      THR   8   9.686  11.275 -12.336
   57    H    ASP   9           H        ASP   9   8.427   7.955 -13.839
   58    HA   ASP   9           HA       ASP   9  10.481   7.067 -15.692
   59    HB2  ASP   9           HB2      ASP   9   9.343   5.676 -13.257
   60    HB3  ASP   9           HB3      ASP   9  10.781   5.193 -14.152
   61    H    HIS  10           H        HIS  10  10.222   5.596 -17.263
   62    HA   HIS  10           HA       HIS  10   7.526   4.576 -17.729
   63    HB2  HIS  10           HB2      HIS  10   9.951   4.978 -19.435
   64    HB3  HIS  10           HB3      HIS  10   8.737   3.806 -19.937
   65    HD1  HIS  10           HD1      HIS  10   9.595   7.203 -20.423
   66    HD2  HIS  10           HD2      HIS  10   6.011   5.170 -19.890
   67    HE1  HIS  10           HE1      HIS  10   7.813   8.735 -21.319
   68    H    GLN  11           H        GLN  11  10.802   3.460 -17.129
   69    HA   GLN  11           HA       GLN  11  10.123   0.682 -17.503
   70    HB2  GLN  11           HB2      GLN  11  12.420   0.242 -16.774
   71    HB3  GLN  11           HB3      GLN  11  12.376   1.476 -18.025
   72    HG2  GLN  11           HG2      GLN  11  12.323   2.406 -15.219
   73    HG3  GLN  11           HG3      GLN  11  13.830   1.705 -15.810
   74   HE21  GLN  11          HE21      GLN  11  14.459   2.561 -18.048
   75   HE22  GLN  11          HE22      GLN  11  14.341   4.271 -18.256
   76    H    MET  12           H        MET  12   9.842   2.945 -14.996
   77    HA   MET  12           HA       MET  12  10.253   1.327 -12.731
   78    HB2  MET  12           HB2      MET  12  10.111   3.760 -12.585
   79    HB3  MET  12           HB3      MET  12   8.428   3.709 -13.092
   80    HG2  MET  12           HG2      MET  12   8.469   4.029 -10.742
   81    HG3  MET  12           HG3      MET  12   7.922   2.383 -11.051
   82    HE1  MET  12           HE1      MET  12  10.070   0.085  -9.584
   83    HE2  MET  12           HE2      MET  12   9.052   0.974  -8.450
   84    HE3  MET  12           HE3      MET  12   8.480   0.657 -10.088
   85    H    ALA  13           H        ALA  13   7.368   1.965 -14.680
   86    HA   ALA  13           HA       ALA  13   5.438   0.716 -13.155
   87    HB1  ALA  13           HB1      ALA  13   4.715   0.044 -15.721
   88    HB2  ALA  13           HB2      ALA  13   4.336   1.559 -14.902
   89    HB3  ALA  13           HB3      ALA  13   5.748   1.454 -15.953
   90    H    ARG  14           H        ARG  14   7.866  -0.718 -15.252
   91    HA   ARG  14           HA       ARG  14   6.908  -3.290 -15.524
   92    HB2  ARG  14           HB2      ARG  14   8.992  -2.338 -16.560
   93    HB3  ARG  14           HB3      ARG  14   9.800  -2.579 -15.016
   94    HG2  ARG  14           HG2      ARG  14   9.872  -4.848 -15.246
   95    HG3  ARG  14           HG3      ARG  14   8.428  -4.901 -16.261
   96    HD2  ARG  14           HD2      ARG  14   9.590  -4.434 -18.176
   97    HD3  ARG  14           HD3      ARG  14  10.839  -3.525 -17.324
   98    HE   ARG  14           HE       ARG  14  11.171  -6.107 -16.491
   99   HH11  ARG  14          HH11      ARG  14  11.105  -4.492 -19.575
  100   HH12  ARG  14          HH12      ARG  14  12.194  -5.608 -20.329
  101   HH21  ARG  14          HH21      ARG  14  12.605  -7.583 -17.474
  102   HH22  ARG  14          HH22      ARG  14  13.046  -7.367 -19.133
  103    H    LYS  15           H        LYS  15   8.966  -2.031 -12.903
  104    HA   LYS  15           HA       LYS  15   8.944  -4.435 -11.401
  105    HB2  LYS  15           HB2      LYS  15   9.534  -1.586 -10.583
  106    HB3  LYS  15           HB3      LYS  15   9.786  -2.982  -9.543
  107    HG2  LYS  15           HG2      LYS  15  11.581  -3.738 -10.759
  108    HG3  LYS  15           HG3      LYS  15  11.055  -2.931 -12.239
  109    HD2  LYS  15           HD2      LYS  15  11.858  -1.322  -9.846
  110    HD3  LYS  15           HD3      LYS  15  13.089  -1.993 -10.919
  111    HE2  LYS  15           HE2      LYS  15  11.367  -0.890 -12.706
  112    HE3  LYS  15           HE3      LYS  15  11.202   0.219 -11.346
  113    HZ1  LYS  15           HZ1      LYS  15  13.886  -0.158 -11.551
  114    HZ2  LYS  15           HZ2      LYS  15  13.031   1.178 -12.137
  115    HZ3  LYS  15           HZ3      LYS  15  13.388  -0.116 -13.167
  116    H    CYS  16           H        CYS  16   7.011  -1.476 -11.266
  117    HA   CYS  16           HA       CYS  16   5.598  -1.880  -8.939
  118    HB2  CYS  16           HB2      CYS  16   5.280   0.167 -10.093
  119    HB3  CYS  16           HB3      CYS  16   4.765  -0.654 -11.563
  120    H    ASP  17           H        ASP  17   5.126  -3.379 -12.081
  121    HA   ASP  17           HA       ASP  17   2.666  -4.668 -11.362
  122    HB2  ASP  17           HB2      ASP  17   4.502  -5.461 -13.622
  123    HB3  ASP  17           HB3      ASP  17   2.762  -5.706 -13.501
  124    H    ASP  18           H        ASP  18   6.069  -5.560 -11.422
  125    HA   ASP  18           HA       ASP  18   5.741  -8.321 -10.964
  126    HB2  ASP  18           HB2      ASP  18   7.856  -6.981 -11.659
  127    HB3  ASP  18           HB3      ASP  18   8.098  -6.775  -9.926
  128    H    CYS  19           H        CYS  19   6.403  -5.649  -8.705
  129    HA   CYS  19           HA       CYS  19   6.485  -7.097  -6.347
  130    HB2  CYS  19           HB2      CYS  19   6.831  -4.534  -6.859
  131    HB3  CYS  19           HB3      CYS  19   5.141  -4.425  -6.374
  132    H    CYS  20           H        CYS  20   3.712  -5.978  -8.188
  133    HA   CYS  20           HA       CYS  20   1.770  -6.611  -6.198
  134    HB2  CYS  20           HB2      CYS  20   1.542  -6.128  -9.171
  135    HB3  CYS  20           HB3      CYS  20   0.154  -6.402  -8.122
  136    H    GLY  21           H        GLY  21   3.394  -8.399  -8.694
  137    HA2  GLY  21           HA2      GLY  21   2.978 -10.908  -7.769
  138    HA3  GLY  21           HA3      GLY  21   1.510 -10.590  -8.681
  139    H    GLY  22           H        GLY  22   1.864  -9.814 -10.966
  140    HA2  GLY  22           HA2      GLY  22   4.352 -10.835 -12.139
  141    HA3  GLY  22           HA3      GLY  22   2.831 -11.532 -12.679
  142    H    LYS  23           H        LYS  23   4.275 -10.499 -14.614
  143    HA   LYS  23           HA       LYS  23   4.138  -7.770 -15.135
  144    HB2  LYS  23           HB2      LYS  23   5.495  -9.229 -16.497
  145    HB3  LYS  23           HB3      LYS  23   4.075 -10.113 -17.041
  146    HG2  LYS  23           HG2      LYS  23   4.075  -7.215 -17.574
  147    HG3  LYS  23           HG3      LYS  23   5.259  -8.174 -18.463
  148    HD2  LYS  23           HD2      LYS  23   2.474  -9.196 -18.333
  149    HD3  LYS  23           HD3      LYS  23   2.786  -7.793 -19.359
  150    HE2  LYS  23           HE2      LYS  23   4.579 -10.170 -19.546
  151    HE3  LYS  23           HE3      LYS  23   2.992 -10.227 -20.313
  152    HZ1  LYS  23           HZ1      LYS  23   4.242  -7.788 -20.945
  153    HZ2  LYS  23           HZ2      LYS  23   3.772  -9.033 -21.987
  154    HZ3  LYS  23           HZ3      LYS  23   5.314  -9.050 -21.291
  155    H    GLY  24           H        GLY  24   2.484  -6.437 -15.448
  156    HA2  GLY  24           HA2      GLY  24   0.504  -5.755 -16.569
  157    HA3  GLY  24           HA3      GLY  24   0.065  -7.445 -16.765
  158    H    ARG  25           H        ARG  25   0.847  -7.803 -13.825
  159    HA   ARG  25           HA       ARG  25  -1.807  -7.270 -12.800
  160    HB2  ARG  25           HB2      ARG  25   0.491  -8.464 -11.261
  161    HB3  ARG  25           HB3      ARG  25  -1.232  -8.672 -10.978
  162    HG2  ARG  25           HG2      ARG  25  -1.103  -9.688 -13.436
  163    HG3  ARG  25           HG3      ARG  25   0.552 -10.014 -12.916
  164    HD2  ARG  25           HD2      ARG  25  -0.395 -11.082 -10.862
  165    HD3  ARG  25           HD3      ARG  25  -1.997 -10.903 -11.577
  166    HE   ARG  25           HE       ARG  25  -0.234 -12.248 -13.349
  167   HH11  ARG  25          HH11      ARG  25  -2.127 -12.700 -10.462
  168   HH12  ARG  25          HH12      ARG  25  -2.336 -14.403 -10.709
  169   HH21  ARG  25          HH21      ARG  25  -0.503 -14.488 -13.685
  170   HH22  ARG  25          HH22      ARG  25  -1.411 -15.419 -12.542
  171    H    GLY  26           H        GLY  26  -2.334  -5.450 -11.798
  172    HA2  GLY  26           HA2      GLY  26  -1.982  -4.006  -9.875
  173    HA3  GLY  26           HA3      GLY  26  -0.258  -4.075 -10.213
  174    H    LYS  27           H        LYS  27  -0.780  -1.658  -9.933
  175    HA   LYS  27           HA       LYS  27  -0.768  -0.497 -12.572
  176    HB2  LYS  27           HB2      LYS  27  -3.233  -0.698 -11.504
  177    HB3  LYS  27           HB3      LYS  27  -2.730   0.827 -10.786
  178    HG2  LYS  27           HG2      LYS  27  -2.822   1.934 -12.743
  179    HG3  LYS  27           HG3      LYS  27  -2.239   0.554 -13.676
  180    HD2  LYS  27           HD2      LYS  27  -4.482  -0.503 -13.368
  181    HD3  LYS  27           HD3      LYS  27  -5.031   1.001 -12.626
  182    HE2  LYS  27           HE2      LYS  27  -3.992   0.654 -15.436
  183    HE3  LYS  27           HE3      LYS  27  -5.667   0.939 -14.965
  184    HZ1  LYS  27           HZ1      LYS  27  -3.436   2.827 -14.448
  185    HZ2  LYS  27           HZ2      LYS  27  -5.078   3.100 -14.155
  186    HZ3  LYS  27           HZ3      LYS  27  -4.516   2.954 -15.743
  187    H    CYS  28           H        CYS  28  -0.166   1.777 -12.546
  188    HA   CYS  28           HA       CYS  28   1.364   2.446 -10.124
  189    HB2  CYS  28           HB2      CYS  28   2.643   2.127 -12.251
  190    HB3  CYS  28           HB3      CYS  28   1.770   3.498 -12.930
  191    H    TYR  29           H        TYR  29   0.271   3.814  -8.872
  192    HA   TYR  29           HA       TYR  29  -0.997   6.145 -10.152
  193    HB2  TYR  29           HB2      TYR  29  -2.027   4.444  -7.885
  194    HB3  TYR  29           HB3      TYR  29  -2.627   6.071  -8.188
  195    HD1  TYR  29           HD1      TYR  29  -3.086   2.653  -8.900
  196    HD2  TYR  29           HD2      TYR  29  -3.458   6.518 -10.639
  197    HE1  TYR  29           HE1      TYR  29  -4.678   1.752 -10.544
  198    HE2  TYR  29           HE2      TYR  29  -5.052   5.628 -12.289
  199    HH   TYR  29           HH       TYR  29  -6.564   2.681 -11.979
  200    H    GLY  30           H        GLY  30   0.081   7.920  -9.623
  201    HA2  GLY  30           HA2      GLY  30   1.072   9.543  -8.323
  202    HA3  GLY  30           HA3      GLY  30   0.557   8.641  -6.905
  203    HA   PRO  31           HA       PRO  31   5.158   8.443  -7.019
  204    HB2  PRO  31           HB2      PRO  31   5.455   8.752  -4.338
  205    HB3  PRO  31           HB3      PRO  31   5.297  10.117  -5.451
  206    HG2  PRO  31           HG2      PRO  31   3.220   8.841  -3.713
  207    HG3  PRO  31           HG3      PRO  31   3.526  10.562  -4.012
  208    HD2  PRO  31           HD2      PRO  31   1.540   9.199  -5.248
  209    HD3  PRO  31           HD3      PRO  31   2.406  10.541  -6.025
  210    H    GLN  32           H        GLN  32   2.633   6.676  -5.522
  211    HA   GLN  32           HA       GLN  32   4.502   4.509  -4.821
  212    HB2  GLN  32           HB2      GLN  32   1.724   5.062  -3.762
  213    HB3  GLN  32           HB3      GLN  32   2.708   3.670  -3.330
  214    HG2  GLN  32           HG2      GLN  32   4.177   4.922  -2.077
  215    HG3  GLN  32           HG3      GLN  32   3.786   6.419  -2.922
  216   HE21  GLN  32          HE21      GLN  32   3.566   7.367  -0.826
  217   HE22  GLN  32          HE22      GLN  32   2.105   7.159   0.073
  218    H    CYS  33           H        CYS  33   3.562   2.287  -5.069
  219    HA   CYS  33           HA       CYS  33   2.140   2.134  -7.635
  220    HB2  CYS  33           HB2      CYS  33   4.256   1.042  -7.758
  221    HB3  CYS  33           HB3      CYS  33   3.993   0.212  -6.228
  222    H    LEU  34           H        LEU  34   0.051   1.679  -7.532
  223    HA   LEU  34           HA       LEU  34  -0.962   0.152  -5.236
  224    HB2  LEU  34           HB2      LEU  34  -2.614   1.701  -7.209
  225    HB3  LEU  34           HB3      LEU  34  -3.074   1.140  -5.604
  226    HG   LEU  34           HG       LEU  34  -1.142   3.368  -6.241
  227   HD11  LEU  34          HD11      LEU  34  -3.672   3.703  -6.518
  228   HD12  LEU  34          HD12      LEU  34  -2.783   4.859  -5.527
  229   HD13  LEU  34          HD13      LEU  34  -3.738   3.591  -4.759
  230   HD21  LEU  34          HD21      LEU  34  -0.416   2.184  -4.260
  231   HD22  LEU  34          HD22      LEU  34  -2.047   2.249  -3.589
  232   HD23  LEU  34          HD23      LEU  34  -1.120   3.736  -3.803
  233    H    CYS  35           H        CYS  35  -1.424  -1.913  -5.550
  234    HA   CYS  35           HA       CYS  35  -1.528  -3.044  -8.187
  235    HB2  CYS  35           HB2      CYS  35  -2.171  -4.398  -5.563
  236    HB3  CYS  35           HB3      CYS  35  -1.722  -5.174  -7.077
  237    H    ARG  36           H        ARG  36  -3.288  -2.644  -9.381
  238    HA   ARG  36           HA       ARG  36  -5.836  -2.028  -8.513
  239    HB2  ARG  36           HB2      ARG  36  -6.582  -2.836 -10.786
  240    HB3  ARG  36           HB3      ARG  36  -5.286  -1.647 -10.794
  241    HG2  ARG  36           HG2      ARG  36  -3.992  -3.015 -11.953
  242    HG3  ARG  36           HG3      ARG  36  -4.150  -4.263 -10.715
  243    HD2  ARG  36           HD2      ARG  36  -5.912  -5.294 -11.790
  244    HD3  ARG  36           HD3      ARG  36  -6.374  -3.829 -12.657
  245    HE   ARG  36           HE       ARG  36  -3.947  -4.412 -13.691
  246   HH11  ARG  36          HH11      ARG  36  -6.856  -6.269 -13.236
  247   HH12  ARG  36          HH12      ARG  36  -6.578  -7.285 -14.612
  248   HH21  ARG  36          HH21      ARG  36  -3.572  -5.743 -15.506
  249   HH22  ARG  36          HH22      ARG  36  -4.710  -6.985 -15.902
  Start of MODEL   20
    1    H    MET   1           H        MET   1   1.750  -0.552   1.029
    2    HA   MET   1           HA       MET   1   1.386  -0.147  -1.769
    3    HB2  MET   1           HB2      MET   1   3.300   1.383  -2.109
    4    HB3  MET   1           HB3      MET   1   1.977   2.140  -1.233
    5    HG2  MET   1           HG2      MET   1   3.653   2.844   0.090
    6    HG3  MET   1           HG3      MET   1   3.410   1.270   0.842
    7    HE1  MET   1           HE1      MET   1   6.323   3.111   0.873
    8    HE2  MET   1           HE2      MET   1   7.218   2.884  -0.631
    9    HE3  MET   1           HE3      MET   1   5.651   3.697  -0.649
   10    H    CYS   2           H        CYS   2   2.681  -1.483  -2.935
   11    HA   CYS   2           HA       CYS   2   4.309  -3.351  -1.457
   12    HB2  CYS   2           HB2      CYS   2   2.737  -3.907  -3.410
   13    HB3  CYS   2           HB3      CYS   2   4.000  -3.262  -4.452
   14    H    MET   3           H        MET   3   4.796  -0.727  -3.739
   15    HA   MET   3           HA       MET   3   7.500  -0.376  -2.923
   16    HB2  MET   3           HB2      MET   3   8.682  -1.011  -4.855
   17    HB3  MET   3           HB3      MET   3   7.592  -2.355  -4.540
   18    HG2  MET   3           HG2      MET   3   6.072  -1.554  -6.251
   19    HG3  MET   3           HG3      MET   3   7.113  -0.163  -6.544
   20    HE1  MET   3           HE1      MET   3   9.608  -0.601  -6.581
   21    HE2  MET   3           HE2      MET   3  10.336  -2.185  -6.843
   22    HE3  MET   3           HE3      MET   3  10.031  -1.116  -8.213
   23    HA   PRO   4           HA       PRO   4   6.689   3.686  -4.376
   24    HB2  PRO   4           HB2      PRO   4   9.195   4.556  -4.953
   25    HB3  PRO   4           HB3      PRO   4   8.614   4.329  -3.299
   26    HG2  PRO   4           HG2      PRO   4  10.312   2.521  -4.976
   27    HG3  PRO   4           HG3      PRO   4  10.487   2.951  -3.265
   28    HD2  PRO   4           HD2      PRO   4   9.386   0.613  -4.075
   29    HD3  PRO   4           HD3      PRO   4   8.875   1.447  -2.592
   30    H    CYS   5           H        CYS   5   5.879   4.377  -6.247
   31    HA   CYS   5           HA       CYS   5   7.010   3.335  -8.749
   32    HB2  CYS   5           HB2      CYS   5   4.453   3.233  -7.955
   33    HB3  CYS   5           HB3      CYS   5   4.430   4.809  -8.741
   34    H    PHE   6           H        PHE   6   6.748   4.892 -10.653
   35    HA   PHE   6           HA       PHE   6   7.138   7.688  -9.923
   36    HB2  PHE   6           HB2      PHE   6   9.197   5.991 -11.329
   37    HB3  PHE   6           HB3      PHE   6   9.180   7.747 -11.457
   38    HD1  PHE   6           HD1      PHE   6  10.026   9.107  -9.730
   39    HD2  PHE   6           HD2      PHE   6   9.533   4.927  -9.102
   40    HE1  PHE   6           HE1      PHE   6  11.311   9.274  -7.638
   41    HE2  PHE   6           HE2      PHE   6  10.816   5.087  -7.009
   42    HZ   PHE   6           HZ       PHE   6  11.707   7.262  -6.274
   43    H    THR   7           H        THR   7   6.053   8.953 -11.275
   44    HA   THR   7           HA       THR   7   4.737   7.872 -13.569
   45    HB   THR   7           HB       THR   7   3.893  10.173 -13.917
   46    HG1  THR   7           HG1      THR   7   5.083  11.729 -13.131
   47   HG21  THR   7          HG21      THR   7   3.725   8.928 -11.190
   48   HG22  THR   7          HG22      THR   7   2.534   8.909 -12.491
   49   HG23  THR   7          HG23      THR   7   2.827  10.393 -11.584
   50    H    THR   8           H        THR   8   7.545   9.916 -13.038
   51    HA   THR   8           HA       THR   8   7.892  10.649 -15.773
   52    HB   THR   8           HB       THR   8   8.845  11.978 -13.917
   53    HG1  THR   8           HG1      THR   8  10.788  12.387 -14.992
   54   HG21  THR   8          HG21      THR   8  10.455  11.226 -12.477
   55   HG22  THR   8          HG22      THR   8  11.108  10.070 -13.638
   56   HG23  THR   8          HG23      THR   8   9.614   9.706 -12.774
   57    H    ASP   9           H        ASP   9   8.712   7.880 -13.891
   58    HA   ASP   9           HA       ASP   9  10.731   6.952 -15.763
   59    HB2  ASP   9           HB2      ASP   9   9.553   5.704 -13.274
   60    HB3  ASP   9           HB3      ASP   9  10.801   4.946 -14.260
   61    H    HIS  10           H        HIS  10  10.435   5.477 -17.335
   62    HA   HIS  10           HA       HIS  10   7.695   4.618 -17.863
   63    HB2  HIS  10           HB2      HIS  10   9.282   5.721 -19.591
   64    HB3  HIS  10           HB3      HIS  10  10.034   4.132 -19.688
   65    HD1  HIS  10           HD1      HIS  10   6.542   5.613 -20.025
   66    HD2  HIS  10           HD2      HIS  10   8.884   2.532 -21.537
   67    HE1  HIS  10           HE1      HIS  10   5.145   4.519 -21.806
   68    H    GLN  11           H        GLN  11  10.889   3.305 -17.209
   69    HA   GLN  11           HA       GLN  11  10.047   0.574 -17.596
   70    HB2  GLN  11           HB2      GLN  11  12.319   0.032 -16.715
   71    HB3  GLN  11           HB3      GLN  11  12.331   1.104 -18.110
   72    HG2  GLN  11           HG2      GLN  11  12.855   2.982 -16.786
   73    HG3  GLN  11           HG3      GLN  11  12.496   2.120 -15.291
   74   HE21  GLN  11          HE21      GLN  11  14.846   3.419 -15.498
   75   HE22  GLN  11          HE22      GLN  11  16.150   2.298 -15.648
   76    H    MET  12           H        MET  12   9.870   2.850 -15.091
   77    HA   MET  12           HA       MET  12  10.137   1.185 -12.830
   78    HB2  MET  12           HB2      MET  12  10.203   3.625 -12.675
   79    HB3  MET  12           HB3      MET  12   8.521   3.716 -13.179
   80    HG2  MET  12           HG2      MET  12   8.644   4.018 -10.811
   81    HG3  MET  12           HG3      MET  12   7.883   2.465 -11.151
   82    HE1  MET  12           HE1      MET  12   7.962   1.337  -9.345
   83    HE2  MET  12           HE2      MET  12   9.101   0.048  -9.732
   84    HE3  MET  12           HE3      MET  12   9.294   0.978  -8.246
   85    H    ALA  13           H        ALA  13   7.423   1.929 -14.935
   86    HA   ALA  13           HA       ALA  13   5.308   0.958 -13.441
   87    HB1  ALA  13           HB1      ALA  13   4.703   2.021 -15.410
   88    HB2  ALA  13           HB2      ALA  13   5.823   1.071 -16.387
   89    HB3  ALA  13           HB3      ALA  13   4.352   0.328 -15.759
   90    H    ARG  14           H        ARG  14   7.708  -0.804 -15.314
   91    HA   ARG  14           HA       ARG  14   6.492  -3.317 -15.361
   92    HB2  ARG  14           HB2      ARG  14   8.677  -2.446 -16.493
   93    HB3  ARG  14           HB3      ARG  14   9.456  -3.025 -15.027
   94    HG2  ARG  14           HG2      ARG  14   9.080  -5.219 -15.523
   95    HG3  ARG  14           HG3      ARG  14   7.625  -4.871 -16.459
   96    HD2  ARG  14           HD2      ARG  14   8.809  -4.358 -18.362
   97    HD3  ARG  14           HD3      ARG  14  10.254  -3.895 -17.464
   98    HE   ARG  14           HE       ARG  14   9.839  -6.631 -17.089
   99   HH11  ARG  14          HH11      ARG  14  10.648  -4.411 -19.646
  100   HH12  ARG  14          HH12      ARG  14  11.562  -5.576 -20.545
  101   HH21  ARG  14          HH21      ARG  14  11.039  -8.174 -18.264
  102   HH22  ARG  14          HH22      ARG  14  11.783  -7.716 -19.759
  103    H    LYS  15           H        LYS  15   8.998  -2.164 -13.097
  104    HA   LYS  15           HA       LYS  15   8.956  -4.337 -11.370
  105    HB2  LYS  15           HB2      LYS  15   9.635  -1.436 -10.961
  106    HB3  LYS  15           HB3      LYS  15   9.722  -2.583  -9.631
  107    HG2  LYS  15           HG2      LYS  15  11.572  -3.595 -10.441
  108    HG3  LYS  15           HG3      LYS  15  11.099  -3.358 -12.125
  109    HD2  LYS  15           HD2      LYS  15  12.022  -1.113 -10.342
  110    HD3  LYS  15           HD3      LYS  15  13.119  -2.053 -11.356
  111    HE2  LYS  15           HE2      LYS  15  10.790  -1.096 -12.811
  112    HE3  LYS  15           HE3      LYS  15  11.728   0.218 -12.102
  113    HZ1  LYS  15           HZ1      LYS  15  13.093  -1.918 -13.599
  114    HZ2  LYS  15           HZ2      LYS  15  13.578  -0.319 -13.337
  115    HZ3  LYS  15           HZ3      LYS  15  12.336  -0.658 -14.436
  116    H    CYS  16           H        CYS  16   6.998  -1.386 -11.316
  117    HA   CYS  16           HA       CYS  16   5.694  -1.689  -8.906
  118    HB2  CYS  16           HB2      CYS  16   5.290   0.310 -10.080
  119    HB3  CYS  16           HB3      CYS  16   4.797  -0.543 -11.540
  120    H    ASP  17           H        ASP  17   4.736  -3.025 -12.061
  121    HA   ASP  17           HA       ASP  17   2.460  -4.398 -11.074
  122    HB2  ASP  17           HB2      ASP  17   4.062  -5.065 -13.550
  123    HB3  ASP  17           HB3      ASP  17   2.378  -5.474 -13.231
  124    H    ASP  18           H        ASP  18   5.838  -5.272 -11.472
  125    HA   ASP  18           HA       ASP  18   5.626  -8.039 -11.124
  126    HB2  ASP  18           HB2      ASP  18   7.675  -6.555 -11.760
  127    HB3  ASP  18           HB3      ASP  18   7.949  -6.492 -10.022
  128    H    CYS  19           H        CYS  19   6.291  -5.511  -8.703
  129    HA   CYS  19           HA       CYS  19   6.441  -7.121  -6.455
  130    HB2  CYS  19           HB2      CYS  19   6.827  -4.568  -6.728
  131    HB3  CYS  19           HB3      CYS  19   5.112  -4.428  -6.354
  132    H    CYS  20           H        CYS  20   3.617  -5.889  -8.143
  133    HA   CYS  20           HA       CYS  20   1.710  -6.621  -6.173
  134    HB2  CYS  20           HB2      CYS  20   1.422  -6.138  -9.145
  135    HB3  CYS  20           HB3      CYS  20   0.066  -6.383  -8.050
  136    H    GLY  21           H        GLY  21   3.334  -8.353  -8.711
  137    HA2  GLY  21           HA2      GLY  21   2.894 -10.882  -7.781
  138    HA3  GLY  21           HA3      GLY  21   1.486 -10.554  -8.781
  139    H    GLY  22           H        GLY  22   1.994  -9.745 -11.032
  140    HA2  GLY  22           HA2      GLY  22   4.564 -10.652 -12.073
  141    HA3  GLY  22           HA3      GLY  22   3.142 -11.520 -12.634
  142    H    LYS  23           H        LYS  23   4.619 -10.379 -14.527
  143    HA   LYS  23           HA       LYS  23   4.244  -7.728 -15.194
  144    HB2  LYS  23           HB2      LYS  23   5.658  -9.455 -16.398
  145    HB3  LYS  23           HB3      LYS  23   4.184  -9.985 -17.198
  146    HG2  LYS  23           HG2      LYS  23   3.974  -8.006 -18.399
  147    HG3  LYS  23           HG3      LYS  23   5.044  -7.121 -17.310
  148    HD2  LYS  23           HD2      LYS  23   6.212  -7.542 -19.368
  149    HD3  LYS  23           HD3      LYS  23   6.928  -8.538 -18.099
  150    HE2  LYS  23           HE2      LYS  23   5.834 -10.489 -18.898
  151    HE3  LYS  23           HE3      LYS  23   4.812  -9.551 -19.984
  152    HZ1  LYS  23           HZ1      LYS  23   6.328  -9.892 -21.544
  153    HZ2  LYS  23           HZ2      LYS  23   7.392 -10.620 -20.449
  154    HZ3  LYS  23           HZ3      LYS  23   7.418  -8.943 -20.665
  155    H    GLY  24           H        GLY  24   2.468  -6.558 -15.474
  156    HA2  GLY  24           HA2      GLY  24   0.481  -6.087 -16.734
  157    HA3  GLY  24           HA3      GLY  24   0.149  -7.812 -16.784
  158    H    ARG  25           H        ARG  25   0.938  -7.866 -13.824
  159    HA   ARG  25           HA       ARG  25  -1.745  -7.267 -12.852
  160    HB2  ARG  25           HB2      ARG  25   0.456  -8.573 -11.268
  161    HB3  ARG  25           HB3      ARG  25  -1.283  -8.701 -11.035
  162    HG2  ARG  25           HG2      ARG  25  -1.085  -9.715 -13.510
  163    HG3  ARG  25           HG3      ARG  25   0.499 -10.160 -12.872
  164    HD2  ARG  25           HD2      ARG  25  -0.524 -11.300 -11.008
  165    HD3  ARG  25           HD3      ARG  25  -2.123 -10.751 -11.508
  166    HE   ARG  25           HE       ARG  25  -1.082 -12.153 -13.647
  167   HH11  ARG  25          HH11      ARG  25  -1.900 -12.798 -10.325
  168   HH12  ARG  25          HH12      ARG  25  -2.279 -14.466 -10.606
  169   HH21  ARG  25          HH21      ARG  25  -1.577 -14.348 -14.029
  170   HH22  ARG  25          HH22      ARG  25  -2.094 -15.346 -12.713
  171    H    GLY  26           H        GLY  26  -2.173  -5.426 -11.840
  172    HA2  GLY  26           HA2      GLY  26  -1.670  -4.043  -9.873
  173    HA3  GLY  26           HA3      GLY  26   0.018  -4.111 -10.355
  174    H    LYS  27           H        LYS  27  -0.622  -1.685  -9.954
  175    HA   LYS  27           HA       LYS  27  -0.704  -0.477 -12.570
  176    HB2  LYS  27           HB2      LYS  27  -3.140  -0.798 -11.482
  177    HB3  LYS  27           HB3      LYS  27  -2.690   0.720 -10.718
  178    HG2  LYS  27           HG2      LYS  27  -2.853   1.889 -12.634
  179    HG3  LYS  27           HG3      LYS  27  -2.226   0.567 -13.621
  180    HD2  LYS  27           HD2      LYS  27  -4.932   0.320 -12.380
  181    HD3  LYS  27           HD3      LYS  27  -4.729   1.305 -13.830
  182    HE2  LYS  27           HE2      LYS  27  -3.800  -1.552 -13.608
  183    HE3  LYS  27           HE3      LYS  27  -5.381  -1.088 -14.235
  184    HZ1  LYS  27           HZ1      LYS  27  -3.006   0.172 -15.396
  185    HZ2  LYS  27           HZ2      LYS  27  -4.482  -0.220 -16.122
  186    HZ3  LYS  27           HZ3      LYS  27  -3.342  -1.431 -15.818
  187    H    CYS  28           H        CYS  28  -0.066   1.745 -12.557
  188    HA   CYS  28           HA       CYS  28   1.413   2.466 -10.123
  189    HB2  CYS  28           HB2      CYS  28   2.675   2.175 -12.283
  190    HB3  CYS  28           HB3      CYS  28   1.798   3.567 -12.911
  191    H    TYR  29           H        TYR  29   0.293   3.809  -8.870
  192    HA   TYR  29           HA       TYR  29  -1.021   6.116 -10.143
  193    HB2  TYR  29           HB2      TYR  29  -2.034   4.399  -7.878
  194    HB3  TYR  29           HB3      TYR  29  -2.680   6.000  -8.221
  195    HD1  TYR  29           HD1      TYR  29  -3.179   2.606  -8.753
  196    HD2  TYR  29           HD2      TYR  29  -3.319   6.323 -10.817
  197    HE1  TYR  29           HE1      TYR  29  -4.715   1.624 -10.404
  198    HE2  TYR  29           HE2      TYR  29  -4.856   5.352 -12.473
  199    HH   TYR  29           HH       TYR  29  -6.621   3.231 -12.326
  200    H    GLY  30           H        GLY  30   0.139   7.853  -9.636
  201    HA2  GLY  30           HA2      GLY  30   1.058   9.503  -8.309
  202    HA3  GLY  30           HA3      GLY  30   0.527   8.597  -6.898
  203    HA   PRO  31           HA       PRO  31   5.129   8.428  -6.928
  204    HB2  PRO  31           HB2      PRO  31   5.371   8.711  -4.238
  205    HB3  PRO  31           HB3      PRO  31   5.223  10.086  -5.339
  206    HG2  PRO  31           HG2      PRO  31   3.126   8.773  -3.656
  207    HG3  PRO  31           HG3      PRO  31   3.421  10.500  -3.929
  208    HD2  PRO  31           HD2      PRO  31   1.471   9.134  -5.219
  209    HD3  PRO  31           HD3      PRO  31   2.339  10.492  -5.964
  210    H    GLN  32           H        GLN  32   2.609   6.678  -5.331
  211    HA   GLN  32           HA       GLN  32   4.478   4.489  -4.718
  212    HB2  GLN  32           HB2      GLN  32   1.740   5.076  -3.582
  213    HB3  GLN  32           HB3      GLN  32   2.694   3.650  -3.198
  214    HG2  GLN  32           HG2      GLN  32   4.367   4.957  -2.129
  215    HG3  GLN  32           HG3      GLN  32   3.648   6.457  -2.712
  216   HE21  GLN  32          HE21      GLN  32   1.079   6.295  -2.142
  217   HE22  GLN  32          HE22      GLN  32   0.808   6.091  -0.448
  218    H    CYS  33           H        CYS  33   3.670   2.287  -5.061
  219    HA   CYS  33           HA       CYS  33   2.140   2.147  -7.555
  220    HB2  CYS  33           HB2      CYS  33   4.270   1.062  -7.695
  221    HB3  CYS  33           HB3      CYS  33   3.990   0.188  -6.191
  222    H    LEU  34           H        LEU  34   0.067   1.622  -7.466
  223    HA   LEU  34           HA       LEU  34  -0.917   0.115  -5.142
  224    HB2  LEU  34           HB2      LEU  34  -2.613   1.632  -7.099
  225    HB3  LEU  34           HB3      LEU  34  -3.030   1.098  -5.471
  226    HG   LEU  34           HG       LEU  34  -1.112   3.317  -6.184
  227   HD11  LEU  34          HD11      LEU  34  -2.750   4.824  -5.459
  228   HD12  LEU  34          HD12      LEU  34  -3.725   3.552  -4.723
  229   HD13  LEU  34          HD13      LEU  34  -3.621   3.678  -6.479
  230   HD21  LEU  34          HD21      LEU  34  -0.303   3.185  -4.123
  231   HD22  LEU  34          HD22      LEU  34  -1.241   1.715  -3.865
  232   HD23  LEU  34          HD23      LEU  34  -1.929   3.286  -3.448
  233    H    CYS  35           H        CYS  35  -1.554  -1.916  -5.411
  234    HA   CYS  35           HA       CYS  35  -1.659  -3.046  -8.076
  235    HB2  CYS  35           HB2      CYS  35  -2.150  -4.458  -5.452
  236    HB3  CYS  35           HB3      CYS  35  -1.717  -5.186  -6.995
  237    H    ARG  36           H        ARG  36  -3.443  -3.669  -9.156
  238    HA   ARG  36           HA       ARG  36  -5.997  -2.760  -8.217
  239    HB2  ARG  36           HB2      ARG  36  -6.842  -3.530 -10.369
  240    HB3  ARG  36           HB3      ARG  36  -5.363  -2.604 -10.588
  241    HG2  ARG  36           HG2      ARG  36  -4.203  -4.378 -11.364
  242    HG3  ARG  36           HG3      ARG  36  -5.045  -5.524 -10.319
  243    HD2  ARG  36           HD2      ARG  36  -5.873  -6.133 -12.370
  244    HD3  ARG  36           HD3      ARG  36  -7.084  -4.956 -11.866
  245    HE   ARG  36           HE       ARG  36  -6.382  -3.553 -13.543
  246   HH11  ARG  36          HH11      ARG  36  -4.071  -6.124 -13.128
  247   HH12  ARG  36          HH12      ARG  36  -3.176  -5.726 -14.556
  248   HH21  ARG  36          HH21      ARG  36  -5.211  -3.019 -15.427
  249   HH22  ARG  36          HH22      ARG  36  -3.824  -3.960 -15.863