*HEADER    TOXIN                                   01-NOV-18   6MY3              
*TITLE     SOLUTION STRUCTURE OF GOMESIN AT 310K                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GOMESIN;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ACANTHOSCURRIA GOMESIANA;                       
*SOURCE   4 ORGANISM_TAXID: 115339                                               
*KEYWDS    SPIDER VENOM PEPTIDE; BETA-HAIRPIN MOTIF, TOXIN                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.K.-Y.CHIN,E.DEPLAZES                                                
*REVDAT   1   06-NOV-19 6MY3    0                                                
# Restraints file 1: gms310.upl
 13 THR  HA     14 TYR  H       2.44            #peak 2 #SUP 0.59 #QF 0.59
  4 ARG  HA      5 LEU  H       2.48            #peak 3 #SUP 0.64 #QF 0.64
 14 TYR  H      15 CYSS HA      5.17            #peak 4 #SUP 0.88 #QF 0.88
  2 CYSS HA     14 TYR  H       5.50            #peak 5 #SUP 0.93 #QF 0.87
  5 LEU  H       6 CYSS HA      5.50            #peak 5 #SUP 0.93 #QF 0.87
 13 THR  HB     14 TYR  H       4.33            #peak 7 #SUP 0.97 #QF 0.97
 14 TYR  H      14 TYR  HB3     3.56            #peak 8 #SUP 0.98 #QF 0.98
 14 TYR  H      14 TYR  HB2     3.56            #peak 9 #SUP 0.98 #QF 0.98
  2 CYSS HB3    14 TYR  H       4.61            #peak 10 #SUP 0.98 #QF 0.98
  5 LEU  H      11 CYSS HB3     5.23            #peak 11 #SUP 0.98 #QF 0.98
  5 LEU  H       5 LEU  HB2     3.08            #peak 13 #SUP 0.95 #QF 0.95
  4 ARG  QG      5 LEU  H       3.69            #peak 14 #SUP 0.99 #QF 0.99
 12 VAL  HB     14 TYR  H       4.94            #peak 15 #SUP 0.61 #QF 0.61
 13 THR  QG2    14 TYR  H       3.39            #peak 16 #SUP 0.99 #QF 0.99
  5 LEU  H       5 LEU  QD1     4.56            #peak 18 #SUP 1.00 #QF 0.94
  5 LEU  H      11 CYSS HA      4.36            #peak 19 #SUP 0.62 #QF 0.62
 14 TYR  H      14 TYR  QD      3.99            #peak 20 #SUP 0.97 #QF 0.97
  4 ARG  QD      5 LEU  H       4.98            #peak 26 #SUP 0.87 #QF 0.87
  5 LEU  H       5 LEU  HG      4.28            #peak 29 #SUP 0.96 #QF 0.96
  5 LEU  H      12 VAL  QG2     4.32            #peak 32 #SUP 0.89 #QF 0.66
  4 ARG  HA      4 ARG  QG      3.50            #peak 39 #SUP 0.99 #QF 0.99
  4 ARG  QG     13 THR  HA      4.73            #peak 42 #SUP 0.90 #QF 0.90
  4 ARG  HA     13 THR  QG2     4.15            #peak 43 #SUP 0.81 #QF 0.81
 13 THR  HA     13 THR  QG2     3.07            #peak 44 #SUP 0.97 #QF 0.97
 12 VAL  QG2    13 THR  HA      4.72            #peak 45 #SUP 1.00
 12 VAL  QG1    13 THR  HA      5.50            #peak 46 #SUP 0.84 #QF 0.84
  4 ARG  HA      4 ARG  QD      4.27            #peak 47 #SUP 0.97 #QF 0.97
  5 LEU  QD1    14 TYR  HB3     4.62            #peak 48 #SUP 0.99 #QF 0.99
  5 LEU  QD1    14 TYR  HB2     4.62            #peak 49 #SUP 0.97 #QF 0.97
 12 VAL  H      12 VAL  QG1     4.23            #peak 53 #SUP 0.94 #QF 0.94
 12 VAL  H      12 VAL  QG2     3.51            #peak 54 #SUP 0.96 #QF 0.96
  8 LYS  H       8 LYS  HG2     3.90            #peak 55 #SUP 0.99 #QF 0.99
  8 LYS  H       8 LYS  HG3     3.90            #peak 56 #SUP 0.94 #QF 0.94
  3 ARG  H      13 THR  QG2     3.77            #peak 57 #SUP 0.98 #QF 0.98
  4 ARG  QG     12 VAL  H       4.53            #peak 58 #SUP 0.95 #QF 0.95
  3 ARG  H       3 ARG  HG3     4.27            #peak 60 #SUP 0.96 #QF 0.96
  3 ARG  H       3 ARG  HG2     4.27            #peak 61 #SUP 0.99 #QF 0.99
  3 ARG  H       3 ARG  HB3     3.98            #peak 62 #SUP 0.99 #QF 0.58
  8 LYS  H       8 LYS  QB      3.92            #peak 62 #SUP 0.99 #QF 0.58
  3 ARG  H       3 ARG  HB2     3.98            #peak 64 #SUP 1.00
 12 VAL  H      12 VAL  HB      3.86            #peak 65 #SUP 1.00
  2 CYSS HB3     3 ARG  H       3.27            #peak 66 #SUP 0.98 #QF 0.98
 11 CYSS HB3    12 VAL  H       3.40            #peak 67 #SUP 0.94 #QF 0.94
  8 LYS  H       8 LYS  HA      2.69            #peak 69 #SUP 0.97 #QF 0.97
  8 LYS  H       8 LYS  QE      5.50            #peak 70 #SUP 0.97 #QF 0.96
  3 ARG  H      15 CYSS HB3     5.50            #peak 70 #SUP 0.97 #QF 0.96
  7 TYR  QB      8 LYS  H       3.66            #peak 71 #SUP 0.94 #QF 0.94
  2 CYSS HB2     3 ARG  H       4.11            #peak 72 #SUP 0.97 #QF 0.97
  3 ARG  H       3 ARG  QD      4.99            #peak 73 #SUP 0.99 #QF 0.99
  7 TYR  HA      8 LYS  H       3.06            #peak 75 #SUP 0.99 #QF 0.97
  5 LEU  HA     12 VAL  H       5.27            #peak 76 #SUP 0.32 #QF 0.32
  3 ARG  H      13 THR  HA      4.54            #peak 77 #SUP 0.77 #QF 0.77
  4 ARG  HA     12 VAL  H       4.44            #peak 78 #SUP 0.66 #QF 0.66
  3 ARG  H      15 CYSS HA      3.58            #peak 79 #SUP 0.96 #QF 0.96
  2 CYSS HA      3 ARG  H       2.47            #peak 80 #SUP 0.89 #QF 0.89
 11 CYSS HA     12 VAL  H       2.46            #peak 81 #SUP 0.86 #QF 0.86
  7 TYR  QD      8 LYS  H       4.63            #peak 82 #SUP 0.93 #QF 0.21
  8 LYS  H       9 GLN  H       4.39            #peak 83 #SUP 0.95 #QF 0.95
 15 CYSS H      16 ARG  H       4.77            #peak 102 #SUP 0.96 #QF 0.96
 14 TYR  QD     15 CYSS H       4.65            #peak 103 #SUP 0.99 #QF 0.99
 14 TYR  HA     15 CYSS H       2.51            #peak 105 #SUP 0.49 #QF 0.49
 15 CYSS H      15 CYSS HB2     2.90            #peak 107 #SUP 0.55 #QF 0.55
  6 CYSS H       6 CYSS HB2     3.07            #peak 109 #SUP 0.68 #QF 0.68
  5 LEU  HB3     6 CYSS H       3.74            #peak 110 #SUP 0.96 #QF 0.96
  5 LEU  QD1     6 CYSS H       5.50            #peak 112 #SUP 0.92 #QF 0.23
  5 LEU  QD2     6 CYSS H       5.50            #peak 112 #SUP 0.92 #QF 0.23
 10 ARG  HG3    11 CYSS H       4.82            #peak 115 #SUP 0.91 #QF 0.91
 10 ARG  HG2    11 CYSS H       4.82            #peak 116 #SUP 0.94 #QF 0.94
  5 LEU  HA      6 CYSS H       2.53            #peak 117 #SUP 0.31 #QF 0.31
  6 CYSS H       6 CYSS HB3     3.84            #peak 119 #SUP 0.87 #QF 0.87
 13 THR  QG2    15 CYSS H       5.43            #peak 121 #SUP 0.99 #QF 0.99
  8 LYS  HA      9 GLN  H       3.31            #peak 122 #SUP 0.96 #QF 0.96
  8 LYS  HA     10 ARG  H       4.73            #peak 123 #SUP 0.94 #QF 0.94
  2 CYSS HA     15 CYSS HA      2.91            #peak 126 #SUP 0.97 #QF 0.97
  5 LEU  HB2     6 CYSS HA      5.36            #peak 129 #SUP 0.99 #QF 0.81
  5 LEU  HB3     6 CYSS HA      5.50            #peak 129 #SUP 0.99 #QF 0.81
  6 CYSS HA     11 CYSS HB3     4.56            #peak 136 #SUP 0.93 #QF 0.93
 15 CYSS HA     15 CYSS HB3     2.86            #peak 139 #SUP 0.94 #QF 0.94
  2 CYSS HB3    15 CYSS HA      4.41            #peak 141 #SUP 0.85 #QF 0.85
  2 CYSS HA     13 THR  QG2     4.81            #peak 143 #SUP 0.96 #QF 0.96
 13 THR  QG2    15 CYSS HA      5.26            #peak 144 #SUP 0.97 #QF 0.97
 12 VAL  HA     12 VAL  QG1     3.80            #peak 145 #SUP 0.98 #QF 0.98
 12 VAL  HA     12 VAL  QG2     3.99            #peak 146 #SUP 0.99 #QF 0.99
 12 VAL  HA     13 THR  QG2     5.01            #peak 147 #SUP 0.93 #QF 0.93
  3 ARG  QD      5 LEU  QD1     4.89            #peak 158 #SUP 0.67 #QF 0.40
  3 ARG  QD      5 LEU  QD2     5.34            #peak 158 #SUP 0.67 #QF 0.40
  6 CYSS HA      7 TYR  H       2.49            #peak 163 #SUP 0.82 #QF 0.82
  2 CYSS H      15 CYSS HA      4.91            #peak 165 #SUP 0.98 #QF 0.98
 10 ARG  HA     11 CYSS H       2.92            #peak 166 #SUP 0.79 #QF 0.33
  1 PCA  HA      2 CYSS H       2.91            #peak 168 #SUP 0.91 #QF 0.91
  3 ARG  HA      4 ARG  H       3.11            #peak 169 #SUP 0.84 #QF 0.84
  3 ARG  QD      4 ARG  H       4.96            #peak 170 #SUP 0.98 #QF 0.98
  2 CYSS H       2 CYSS HB2     3.08            #peak 171 #SUP 0.77 #QF 0.77
  2 CYSS H       2 CYSS HB3     3.84            #peak 172 #SUP 0.99 #QF 0.99
  1 PCA  HB2     2 CYSS H       4.39            #peak 173 #SUP 0.82 #QF 0.82
  6 CYSS HB3     7 TYR  H       3.50            #peak 174 #SUP 0.92 #QF 0.92
  7 TYR  H       7 TYR  QB      3.00            #peak 175 #SUP 0.89 #QF 0.89
 11 CYSS H      11 CYSS HB2     3.06            #peak 176 #SUP 0.70 #QF 0.70
 11 CYSS H      11 CYSS HB3     3.81            #peak 177 #SUP 0.97 #QF 0.97
  1 PCA  HB3     2 CYSS H       4.39            #peak 178 #SUP 0.92 #QF 0.92
  4 ARG  H       4 ARG  QG      4.15            #peak 179 #SUP 0.97 #QF 0.97
  4 ARG  H       4 ARG  HB2     3.19            #peak 180 #SUP 0.83 #QF 0.83
  4 ARG  H       4 ARG  HB3     3.19            #peak 181 #SUP 0.92 #QF 0.92
  7 TYR  H      10 ARG  H       3.49            #peak 184 #SUP 0.78 #QF 0.78
  7 TYR  H       7 TYR  QD      4.61            #peak 185 #SUP 0.95 #QF 0.95
  7 TYR  H      10 ARG  HB2     4.88            #peak 195 #SUP 0.93 #QF 0.39
  7 TYR  H      10 ARG  HB3     4.88            #peak 196 #SUP 0.82 #QF 0.28
  4 ARG  H      13 THR  QG2     4.92            #peak 198 #SUP 0.88 #QF 0.88
 11 CYSS H      12 VAL  QG2     4.82            #peak 199 #SUP 0.79 #QF 0.79
  4 ARG  HE     11 CYSS HB3     4.80            #peak 202 #SUP 0.88 #QF 0.88
  2 CYSS HB3    13 THR  QG2     2.96            #peak 211 #SUP 0.93 #QF 0.93
  2 CYSS HB2    13 THR  QG2     4.06            #peak 212 #SUP 0.97 #QF 0.95
  4 ARG  QD     13 THR  QG2     4.32            #peak 212 #SUP 0.97 #QF 0.95
  6 CYSS HA     11 CYSS HA      2.80            #peak 214 #SUP 0.98 #QF 0.98
 11 CYSS HA     12 VAL  QG2     4.58            #peak 228 #SUP 0.86 #QF 0.86
  4 ARG  HB2     4 ARG  QD      3.91            #peak 229 #SUP 1.00
  4 ARG  HB3     4 ARG  QD      3.91            #peak 230 #SUP 0.99 #QF 0.99
  4 ARG  QG      4 ARG  QD      2.91            #peak 231 #SUP 0.99 #QF 0.99
 17 GLY  H      17 GLY  QA      2.91            #peak 235 #SUP 0.97 #QF 0.97
 16 ARG  HA     17 GLY  H       2.98            #peak 236 #SUP 0.74 #QF 0.74
 12 VAL  HA     13 THR  H       2.49            #peak 237 #SUP 0.75 #QF 0.75
  9 GLN  H       9 GLN  HA      2.92            #peak 239 #SUP 0.98 #QF 0.98
 12 VAL  QG1    13 THR  H       3.92            #peak 244 #SUP 0.99 #QF 0.99
  8 LYS  HG3     9 GLN  H       5.31            #peak 245 #SUP 0.99 #QF 0.99
  8 LYS  HG2     9 GLN  H       5.31            #peak 246 #SUP 0.44 #QF 0.44
 12 VAL  HB     13 THR  H       3.33            #peak 248 #SUP 0.99 #QF 0.99
 16 ARG  HB3    17 GLY  H       4.73            #peak 252 #SUP 0.99 #QF 0.99
 16 ARG  HG2    17 GLY  H       5.28            #peak 252 #SUP 0.99 #QF 0.99
 16 ARG  HB2    17 GLY  H       4.73            #peak 253 #SUP 1.00
  4 ARG  HA     13 THR  H       5.07            #peak 255 #SUP 0.96 #QF 0.96
  9 GLN  H      10 ARG  H       3.11            #peak 256 #SUP 0.91 #QF 0.91
 13 THR  H      13 THR  HB      3.24            #peak 262 #SUP 0.86 #QF 0.86
  7 TYR  QB      9 GLN  H       4.99            #peak 264 #SUP 0.95 #QF 0.95
  9 GLN  H       9 GLN  QG      3.35            #peak 267 #SUP 0.98 #QF 0.98
 16 ARG  HG3    17 GLY  H       5.28            #peak 270 #SUP 0.90 #QF 0.90
 12 VAL  QG2    13 THR  H       3.97            #peak 272 #SUP 0.69 #QF 0.69
 13 THR  H      13 THR  QG2     3.95            #peak 273 #SUP 0.99 #QF 0.99
  9 GLN  HA      9 GLN  QG      3.38            #peak 277 #SUP 0.97 #QF 0.95
  6 CYSS HB3     9 GLN  HA      5.19            #peak 279 #SUP 0.66 #QF 0.66
 16 ARG  H      16 ARG  HB3     3.85            #peak 284 #SUP 0.99 #QF 0.98
 16 ARG  H      16 ARG  HG2     4.28            #peak 284 #SUP 0.99 #QF 0.98
 16 ARG  H      16 ARG  HB2     3.85            #peak 285 #SUP 0.91 #QF 0.91
 15 CYSS HB3    16 ARG  H       3.38            #peak 293 #SUP 0.95 #QF 0.95
 15 CYSS HA     16 ARG  H       2.66            #peak 295 #SUP 0.78 #QF 0.78
 10 ARG  H      10 ARG  HB2     3.42            #peak 299 #SUP 0.96 #QF 0.96
 10 ARG  H      10 ARG  HB3     3.42            #peak 300 #SUP 0.97 #QF 0.97
  8 LYS  QB     10 ARG  H       4.00            #peak 301 #SUP 0.93 #QF 0.93
 10 ARG  H      10 ARG  HG2     4.94            #peak 302 #SUP 0.98 #QF 0.98
 10 ARG  H      10 ARG  HG3     4.94            #peak 303 #SUP 0.98 #QF 0.98
  7 TYR  QB     10 ARG  H       4.39            #peak 304 #SUP 0.99 #QF 0.99
  6 CYSS HB3    10 ARG  H       4.54            #peak 305 #SUP 0.95 #QF 0.95
  6 CYSS HA     10 ARG  H       4.60            #peak 306 #SUP 0.89 #QF 0.89
  2 CYSS HA     16 ARG  H       3.76            #peak 307 #SUP 0.96 #QF 0.96
  9 GLN  QG     10 ARG  H       5.38            #peak 319 #SUP 1.00 #QF 0.99
 16 ARG  H      16 ARG  HG3     4.28            #peak 321 #SUP 0.98 #QF 0.98
 12 VAL  HB     14 TYR  QD      4.97            #peak 324 #SUP 0.93 #QF 0.93
 12 VAL  QG1    14 TYR  QE      5.16            #peak 325 #SUP 0.66 #QF 0.44
 12 VAL  HB     14 TYR  QE      4.09            #peak 328 #SUP 0.92 #QF 0.92
 12 VAL  QG2    14 TYR  QE      4.82            #peak 335 #SUP 0.86 #QF 0.86
  5 LEU  QD1    14 TYR  QE      4.97            #peak 336 #SUP 0.97 #QF 0.97
  7 TYR  QD      8 LYS  HA      4.97            #peak 341 #SUP 0.84 #QF 0.84
 14 TYR  HA     14 TYR  QD      3.47            #peak 343 #SUP 0.98 #QF 0.98
  7 TYR  QD      8 LYS  QB      5.24            #peak 344 #SUP 0.96 #QF 0.23
  7 TYR  QE      8 LYS  QD      4.62            #peak 354 #SUP 0.68 #QF 0.68
  7 TYR  QE      8 LYS  QB      5.36            #peak 355 #SUP 0.70 #QF 0.70
  5 LEU  QD1    14 TYR  QD      3.96            #peak 356 #SUP 0.91 #QF 0.91
 12 VAL  QG2    14 TYR  QD      4.56            #peak 358 #SUP 0.97 #QF 0.97
 10 ARG  HE     12 VAL  QG2     4.38            #peak 360 #SUP 0.35 #QF 0.35
  4 ARG  HB3     4 ARG  HE      5.21            #peak 361 #SUP 0.78 #QF 0.42
 18 ARG  QG     19 CAM  H1      5.10            #peak 361 #SUP 0.78 #QF 0.42
  4 ARG  HB2     4 ARG  HE      5.21            #peak 362 #SUP 0.82 #QF 0.70
  5 LEU  HB2    11 CYSS HA      5.50            #peak 386 #SUP 0.81 #QF 0.68
  4 ARG  QG     11 CYSS HA      5.17            #peak 387 #SUP 0.95 #QF 0.95
  6 CYSS HB3    11 CYSS HA      4.36            #peak 389 #SUP 0.99 #QF 0.99
  2 CYSS HA     15 CYSS HB3     4.21            #peak 394 #SUP 0.88 #QF 0.88
  3 ARG  HE      5 LEU  QD1     5.50            #peak 401 #SUP 0.81 #QF 0.64
  3 ARG  HE      5 LEU  QD2     5.50            #peak 401 #SUP 0.81 #QF 0.64
  4 ARG  QG     11 CYSS HB3     3.56            #peak 405 #SUP 0.97 #QF 0.97
  1 PCA  H      16 ARG  QB      4.59            #peak 292
  1 PCA  H      16 ARG  QG      5.34            #peak 290
  1 PCA  Q1      2 CYSS H       3.85            #peak 178
  3 ARG  H       3 ARG  QB      3.28            #peak 62
  3 ARG  H       3 ARG  QG      3.61            #peak 61
  3 ARG  QB      3 ARG  HE      4.61            #peak 344
  3 ARG  QB      4 ARG  H       3.44            #peak 182
  4 ARG  H       4 ARG  QB      2.74            #peak 180
  4 ARG  QB      4 ARG  QD      3.40            #peak 230
  4 ARG  QB      4 ARG  HE      4.44            #peak 361
  4 ARG  QB      5 LEU  H       4.06            #peak 12
  4 ARG  QB     13 THR  HA      4.74            #peak 41
  5 LEU  QD1    14 TYR  QB      4.02            #peak 49
  7 TYR  H      10 ARG  QB      4.14            #peak 196
  7 TYR  QD      8 LYS  QG      4.36            #peak 359
  8 LYS  HA      8 LYS  QG      3.49            #peak 133
  8 LYS  QG      9 GLN  H       4.55            #peak 245
  9 GLN  H       9 GLN  QB      3.53            #peak 241
  9 GLN  H      10 ARG  QB      5.02            #peak 254
  9 GLN  QB     10 ARG  H       4.07            #peak 298
 10 ARG  H      10 ARG  QG      4.25            #peak 303
 10 ARG  QG     11 CYSS HA      5.34            #peak 386
 14 TYR  H      14 TYR  QB      3.03            #peak 9
 16 ARG  H      16 ARG  QB      3.22            #peak 285
 16 ARG  H      16 ARG  QG      3.75            #peak 284
 16 ARG  QB     16 ARG  HE      5.27            #peak 344
 16 ARG  QG     17 GLY  H       4.57            #peak 270
# Restraints file 2: D_1000237808_mr_P3.cyana.V1
  6 CYSS SG     11 CYSS SG     2.10   2.0 
  6 CYSS SG     11 CYSS CB     3.10   2.0 
  6 CYSS CB     11 CYSS SG     3.10   2.0 
 15 CYSS SG      2 CYSS SG     2.10   2.0 
 15 CYSS SG      2 CYSS CB     3.10   2.0 
 15 CYSS CB      2 CYSS SG     3.10   2.0 
# Restraints file 3: D_1000237808_mr_P2.cyana.V1
  6 CYSS SG     11 CYSS SG      2.00   2.0 
  6 CYSS SG     11 CYSS CB      3.00   2.0 
  6 CYSS CB     11 CYSS SG      3.00   2.0 
 15 CYSS SG      2 CYSS SG      2.00   2.0 
 15 CYSS SG      2 CYSS CB      3.00   2.0 
 15 CYSS CB      2 CYSS SG      3.00   2.0
# Restraints file 4: D_1000237808_mr_P1.cyana.V1
 13 THR  HA     14 TYR  H       2.44            #peak 2 #SUP 0.57 #QF 0.57
  4 ARG  HA      5 LEU  H       2.48            #peak 3 #SUP 0.56 #QF 0.56
 14 TYR  H      15 CYSS HA      5.17            #peak 4 #SUP 0.85 #QF 0.85
  5 LEU  H       6 CYSS HA      5.11            #peak 5 #SUP 0.45 #QF 0.45
 13 THR  HB     14 TYR  H       4.33            #peak 7 #SUP 0.97 #QF 0.97
 14 TYR  H      14 TYR  HB2     3.35            #peak 8 #SUP 0.97 #QF 0.97
  2 CYSS HB3    14 TYR  H       4.61            #peak 10 #SUP 0.97 #QF 0.97
  5 LEU  H      11 CYSS HB3     5.50            #peak 11 #SUP 0.98 #QF 0.98
  5 LEU  H       5 LEU  HB2     3.08            #peak 13 #SUP 0.94 #QF 0.94
  4 ARG  QG      5 LEU  H       3.69            #peak 14 #SUP 0.98 #QF 0.98
  5 LEU  H      12 VAL  HB      5.50            #peak 15 #SUP 0.98 #QF 0.94
 12 VAL  HB     14 TYR  H       5.50            #peak 15 #SUP 0.98 #QF 0.94
 13 THR  QG2    14 TYR  H       3.39            #peak 16 #SUP 0.99 #QF 0.99
  5 LEU  H       5 LEU  QD1     5.35            #peak 18 #SUP 1.00 #QF 0.94
  5 LEU  H       5 LEU  QD2     5.35            #peak 18 #SUP 1.00 #QF 0.94
  5 LEU  H      11 CYSS HA      4.91            #peak 19 #SUP 0.71 #QF 0.71
 14 TYR  H      14 TYR  QD      3.99            #peak 20 #SUP 0.96 #QF 0.96
 14 TYR  H      14 TYR  HB3     3.64            #peak 24 #SUP 0.99 #QF 0.99
  4 ARG  QD      5 LEU  H       4.98            #peak 26 #SUP 0.86 #QF 0.86
  5 LEU  H       5 LEU  HG      4.55            #peak 29 #SUP 0.95 #QF 0.95
  5 LEU  H      12 VAL  QG2     4.24            #peak 32 #SUP 0.88 #QF 0.88
  4 ARG  HA      4 ARG  QG      3.50            #peak 39 #SUP 0.99 #QF 0.99
  4 ARG  QG     13 THR  HA      4.73            #peak 42 #SUP 0.93 #QF 0.93
  4 ARG  HA     13 THR  QG2     4.15            #peak 43 #SUP 0.84 #QF 0.84
 13 THR  HA     13 THR  QG2     3.07            #peak 44 #SUP 0.96 #QF 0.96
 12 VAL  QG2    13 THR  HA      4.72            #peak 45 #SUP 1.00
 12 VAL  QG1    13 THR  HA      5.50            #peak 46 #SUP 0.84 #QF 0.84
  4 ARG  HA      4 ARG  QD      4.27            #peak 47 #SUP 0.97 #QF 0.97
 12 VAL  H      12 VAL  QG1     4.23            #peak 53 #SUP 0.94 #QF 0.94
 12 VAL  H      12 VAL  QG2     3.51            #peak 54 #SUP 0.96 #QF 0.96
  8 LYS  H       8 LYS  HG2     3.90            #peak 55 #SUP 1.00
  8 LYS  H       8 LYS  HG3     3.90            #peak 56 #SUP 0.94 #QF 0.94
  4 ARG  QG     12 VAL  H       4.53            #peak 58 #SUP 0.94 #QF 0.94
  3 ARG  H       3 ARG  HG2     4.01            #peak 61 #SUP 0.98 #QF 0.98
  8 LYS  H       8 LYS  QB      3.35            #peak 62 #SUP 0.97 #QF 0.97
 12 VAL  H      12 VAL  HB      3.86            #peak 65 #SUP 1.00
  2 CYSS HB3     3 ARG  H       3.27            #peak 66 #SUP 0.98 #QF 0.98
 11 CYSS HB3    12 VAL  H       3.40            #peak 67 #SUP 0.93 #QF 0.93
  8 LYS  H       8 LYS  HA      2.69            #peak 69 #SUP 0.98 #QF 0.98
  8 LYS  H       8 LYS  QE      5.39            #peak 70 #SUP 0.92 #QF 0.29
  3 ARG  H      15 CYSS HB2     5.50            #peak 70 #SUP 0.92 #QF 0.29
  7 TYR  QB      8 LYS  H       3.26            #peak 71 #SUP 0.78 #QF 0.78
  2 CYSS HB2     3 ARG  H       3.87            #peak 72 #SUP 0.94 #QF 0.94
  3 ARG  H       3 ARG  QD      4.99            #peak 73 #SUP 0.99 #QF 0.99
  7 TYR  HA      8 LYS  H       3.07            #peak 75 #SUP 0.99 #QF 0.97
 12 VAL  H      13 THR  HA      4.80            #peak 77 #SUP 0.74 #QF 0.74
  3 ARG  H       4 ARG  HA      5.48            #peak 78 #SUP 0.93 #QF 0.73
  4 ARG  HA     12 VAL  H       5.50            #peak 78 #SUP 0.93 #QF 0.73
  3 ARG  H      15 CYSS HA      3.58            #peak 79 #SUP 0.96 #QF 0.96
  2 CYSS HA      3 ARG  H       2.47            #peak 80 #SUP 0.90 #QF 0.90
 11 CYSS HA     12 VAL  H       2.46            #peak 81 #SUP 0.86 #QF 0.86
  7 TYR  QD      8 LYS  H       4.70            #peak 82 #SUP 0.93 #QF 0.23
  8 LYS  H       9 GLN  H       4.39            #peak 83 #SUP 0.95 #QF 0.95
  3 ARG  H      13 THR  QG2     3.94            #peak 95 #SUP 0.99 #QF 0.99
  3 ARG  H       3 ARG  HG3     4.01            #peak 99 #SUP 0.61 #QF 0.61
 15 CYSS H      16 ARG  H       4.77            #peak 102 #SUP 0.96 #QF 0.96
 14 TYR  QD     15 CYSS H       4.65            #peak 103 #SUP 0.99 #QF 0.99
 14 TYR  HA     15 CYSS H       2.51            #peak 105 #SUP 0.48 #QF 0.48
 15 CYSS H      15 CYSS HB2     3.03            #peak 107 #SUP 0.91 #QF 0.72
 15 CYSS H      15 CYSS HB3     3.38            #peak 107 #SUP 0.91 #QF 0.72
  6 CYSS H       6 CYSS HB2     3.07            #peak 109 #SUP 0.68 #QF 0.68
  5 LEU  HB3     6 CYSS H       3.74            #peak 110 #SUP 0.96 #QF 0.96
  7 TYR  H      10 ARG  HB2     4.41            #peak 113 #SUP 0.92 #QF 0.32
 10 ARG  HB2    11 CYSS H       4.86            #peak 113 #SUP 0.92 #QF 0.32
  7 TYR  H      10 ARG  HB3     4.41            #peak 114 #SUP 0.82 #QF 0.21
 10 ARG  HB3    11 CYSS H       4.86            #peak 114 #SUP 0.82 #QF 0.21
 10 ARG  HG3    11 CYSS H       4.82            #peak 115 #SUP 0.92 #QF 0.92
 10 ARG  HG2    11 CYSS H       4.82            #peak 116 #SUP 0.94 #QF 0.94
  5 LEU  HA      6 CYSS H       2.53            #peak 117 #SUP 0.35 #QF 0.35
  6 CYSS H       6 CYSS HB3     3.84            #peak 119 #SUP 0.87 #QF 0.87
 13 THR  QG2    15 CYSS H       5.13            #peak 121 #SUP 0.99 #QF 0.99
  8 LYS  HA      9 GLN  H       3.31            #peak 122 #SUP 0.97 #QF 0.97
  8 LYS  HA     10 ARG  H       4.73            #peak 123 #SUP 0.94 #QF 0.94
  2 CYSS HA     15 CYSS HA      2.91            #peak 126 #SUP 0.96 #QF 0.96
  5 LEU  HB2     6 CYSS HA      5.50            #peak 129 #SUP 0.99 #QF 0.62
  5 LEU  HB3     6 CYSS HA      5.50            #peak 129 #SUP 0.99 #QF 0.62
  6 CYSS HA     11 CYSS HB3     4.56            #peak 136 #SUP 0.93 #QF 0.93
 15 CYSS HA     15 CYSS HB2     2.86            #peak 139 #SUP 0.94 #QF 0.94
  2 CYSS HB3    15 CYSS HA      4.41            #peak 141 #SUP 0.85 #QF 0.85
  2 CYSS HA     13 THR  QG2     4.81            #peak 143 #SUP 0.96 #QF 0.96
 13 THR  QG2    15 CYSS HA      5.26            #peak 144 #SUP 0.97 #QF 0.97
 12 VAL  HA     12 VAL  QG1     3.80            #peak 145 #SUP 0.98 #QF 0.98
 12 VAL  HA     12 VAL  QG2     3.99            #peak 146 #SUP 0.99 #QF 0.99
 12 VAL  HA     13 THR  QG2     5.01            #peak 147 #SUP 0.95 #QF 0.95
  1 PCA  HB2     1 PCA  HA      3.76            #peak 152 #SUP 0.94 #QF 0.94
  1 PCA  HB3     1 PCA  HA      3.76            #peak 154 #SUP 0.99 #QF 0.30
  3 ARG  QD      5 LEU  QD1     5.50            #peak 158 #SUP 0.56 #QF 0.35
  3 ARG  QD      5 LEU  QD2     5.50            #peak 158 #SUP 0.56 #QF 0.35
  6 CYSS HA      7 TYR  H       2.49            #peak 163 #SUP 0.82 #QF 0.82
  2 CYSS H      15 CYSS HA      5.20            #peak 165 #SUP 0.98 #QF 0.98
 10 ARG  HA     11 CYSS H       2.95            #peak 166 #SUP 0.82 #QF 0.32
  3 ARG  HA      4 ARG  H       3.11            #peak 169 #SUP 0.86 #QF 0.86
  3 ARG  QD      4 ARG  H       4.96            #peak 170 #SUP 0.98 #QF 0.98
  2 CYSS H       2 CYSS HB2     3.08            #peak 171 #SUP 0.79 #QF 0.79
  2 CYSS H       2 CYSS HB3     3.84            #peak 172 #SUP 0.99 #QF 0.99
  1 PCA  HB2     2 CYSS H       4.39            #peak 173 #SUP 0.82 #QF 0.82
  6 CYSS HB3     7 TYR  H       3.50            #peak 174 #SUP 0.93 #QF 0.93
  7 TYR  H       7 TYR  QB      3.38            #peak 175 #SUP 0.96 #QF 0.96
 11 CYSS H      11 CYSS HB2     3.06            #peak 176 #SUP 0.54 #QF 0.54
 11 CYSS H      11 CYSS HB3     3.81            #peak 177 #SUP 0.98 #QF 0.98
  1 PCA  HB3     2 CYSS H       4.39            #peak 178 #SUP 0.99 #QF 0.99
  4 ARG  H       4 ARG  QG      4.15            #peak 179 #SUP 0.97 #QF 0.97
  3 ARG  HB3     4 ARG  H       3.93            #peak 180 #SUP 0.88 #QF 0.38
  4 ARG  H       4 ARG  HB2     3.45            #peak 180 #SUP 0.88 #QF 0.38
  4 ARG  H       4 ARG  HB3     3.45            #peak 181 #SUP 0.87 #QF 0.87
  3 ARG  HB2     4 ARG  H       3.93            #peak 182 #SUP 0.94 #QF 0.94
  7 TYR  H      10 ARG  H       3.49            #peak 184 #SUP 0.76 #QF 0.76
  7 TYR  H       7 TYR  QD      4.34            #peak 185 #SUP 0.86 #QF 0.86
  4 ARG  H      13 THR  QG2     4.92            #peak 198 #SUP 0.88 #QF 0.88
  7 TYR  H      12 VAL  QG2     5.28            #peak 199 #SUP 0.84 #QF 0.25
 11 CYSS H      12 VAL  QG2     5.50            #peak 199 #SUP 0.84 #QF 0.25
  4 ARG  HE     11 CYSS HB3     4.80            #peak 202 #SUP 0.85 #QF 0.85
  2 CYSS HB3    13 THR  QG2     2.96            #peak 211 #SUP 0.93 #QF 0.93
  2 CYSS HB2    13 THR  QG2     3.78            #peak 212 #SUP 0.94 #QF 0.90
  4 ARG  QD     13 THR  QG2     4.07            #peak 212 #SUP 0.94 #QF 0.90
  6 CYSS HA     11 CYSS HA      2.80            #peak 214 #SUP 0.98 #QF 0.98
  6 CYSS HB3    11 CYSS HA      4.33            #peak 217 #SUP 0.87 #QF 0.87
 11 CYSS HA     12 VAL  QG2     4.58            #peak 228 #SUP 0.86 #QF 0.86
  4 ARG  HB2     4 ARG  QD      3.91            #peak 229 #SUP 1.00
  4 ARG  HB3     4 ARG  QD      3.91            #peak 230 #SUP 0.99 #QF 0.99
  4 ARG  QG      4 ARG  QD      2.91            #peak 231 #SUP 0.99 #QF 0.99
 17 GLY  H      17 GLY  QA      2.91            #peak 235 #SUP 0.97 #QF 0.97
 16 ARG  HA     17 GLY  H       2.98            #peak 236 #SUP 0.68 #QF 0.68
 12 VAL  HA     13 THR  H       2.49            #peak 237 #SUP 0.76 #QF 0.76
  9 GLN  H       9 GLN  HA      2.92            #peak 239 #SUP 0.98 #QF 0.98
 12 VAL  QG1    13 THR  H       3.92            #peak 244 #SUP 0.99 #QF 0.99
  8 LYS  HG3     9 GLN  H       5.31            #peak 245 #SUP 1.00
  8 LYS  HG2     9 GLN  H       5.31            #peak 246 #SUP 0.44 #QF 0.44
 12 VAL  HB     13 THR  H       3.33            #peak 248 #SUP 0.98 #QF 0.98
  7 TYR  QB      9 GLN  H       5.12            #peak 249 #SUP 0.98 #QF 0.98
 16 ARG  HB3    17 GLY  H       4.73            #peak 252 #SUP 1.00
 16 ARG  HG2    17 GLY  H       5.20            #peak 252 #SUP 1.00
 16 ARG  HB2    17 GLY  H       4.73            #peak 253 #SUP 1.00
  4 ARG  HA     13 THR  H       5.07            #peak 255 #SUP 0.93 #QF 0.93
  9 GLN  H      10 ARG  H       3.11            #peak 256 #SUP 0.91 #QF 0.91
 13 THR  H      13 THR  HB      3.24            #peak 262 #SUP 0.86 #QF 0.86
 15 CYSS HB3    17 GLY  H       5.30            #peak 265 #SUP 0.93 #QF 0.93
  9 GLN  H       9 GLN  QG      3.35            #peak 267 #SUP 0.98 #QF 0.98
 16 ARG  HG3    17 GLY  H       5.20            #peak 270 #SUP 0.88 #QF 0.88
 12 VAL  QG2    13 THR  H       3.97            #peak 272 #SUP 0.69 #QF 0.69
 13 THR  H      13 THR  QG2     3.95            #peak 273 #SUP 0.99 #QF 0.99
  9 GLN  HA      9 GLN  QG      3.34            #peak 277 #SUP 0.97 #QF 0.94
  6 CYSS HB3     9 GLN  HA      5.19            #peak 279 #SUP 0.66 #QF 0.66
 16 ARG  H      16 ARG  HB3     4.01            #peak 284 #SUP 0.99 #QF 0.99
 16 ARG  H      16 ARG  HG2     4.43            #peak 284 #SUP 0.99 #QF 0.99
 16 ARG  H      16 ARG  HB2     4.01            #peak 285 #SUP 0.89 #QF 0.89
  1 PCA  H       3 ARG  HB2     5.50            #peak 291 #SUP 0.43 #QF 0.43
  1 PCA  H       3 ARG  HB3     5.50            #peak 292 #SUP 0.92 #QF 0.87
 15 CYSS HA     16 ARG  H       2.66            #peak 295 #SUP 0.81 #QF 0.81
  1 PCA  H       3 ARG  HA      4.91            #peak 296 #SUP 0.68 #QF 0.68
 10 ARG  H      10 ARG  HB2     3.42            #peak 299 #SUP 0.96 #QF 0.96
 10 ARG  H      10 ARG  HB3     3.42            #peak 300 #SUP 0.96 #QF 0.96
  8 LYS  QB     10 ARG  H       4.25            #peak 301 #SUP 0.97 #QF 0.97
 10 ARG  H      10 ARG  HG3     4.98            #peak 303 #SUP 0.98 #QF 0.98
  7 TYR  QB     10 ARG  H       4.91            #peak 304 #SUP 0.99 #QF 0.99
  6 CYSS HB3    10 ARG  H       4.54            #peak 305 #SUP 0.95 #QF 0.95
  6 CYSS HA     10 ARG  H       4.60            #peak 306 #SUP 0.89 #QF 0.89
  2 CYSS HA     16 ARG  H       3.76            #peak 307 #SUP 0.95 #QF 0.95
 15 CYSS HB3    16 ARG  H       3.48            #peak 314 #SUP 0.98 #QF 0.98
  9 GLN  QG     10 ARG  H       5.38            #peak 319 #SUP 1.00 #QF 0.99
 16 ARG  H      16 ARG  HG3     4.43            #peak 321 #SUP 0.98 #QF 0.98
 10 ARG  H      10 ARG  HG2     4.98            #peak 322 #SUP 0.86 #QF 0.86
 12 VAL  HB     14 TYR  QD      4.97            #peak 324 #SUP 0.92 #QF 0.92
 12 VAL  QG1    14 TYR  QE      5.07            #peak 325 #SUP 0.60 #QF 0.37
  5 LEU  HB2    14 TYR  QE      4.85            #peak 326 #SUP 0.82 #QF 0.82
 12 VAL  HB     14 TYR  QE      4.35            #peak 328 #SUP 0.93 #QF 0.93
  5 LEU  HB3    14 TYR  QE      5.50            #peak 331 #SUP 0.93 #QF 0.91
 12 VAL  QG2    14 TYR  QE      4.82            #peak 335 #SUP 0.86 #QF 0.86
  7 TYR  QD      8 LYS  HA      4.97            #peak 341 #SUP 0.84 #QF 0.84
 14 TYR  HA     14 TYR  QD      3.47            #peak 343 #SUP 0.98 #QF 0.98
  7 TYR  QD      8 LYS  QB      4.47            #peak 344 #SUP 0.97 #QF 0.21
  7 TYR  QE     12 VAL  QG2     4.59            #peak 353 #SUP 0.56 #QF 0.56
  7 TYR  QE      8 LYS  QD      4.11            #peak 354 #SUP 0.65 #QF 0.65
  7 TYR  QE      8 LYS  QB      4.76            #peak 355 #SUP 0.69 #QF 0.69
 12 VAL  QG2    14 TYR  QD      4.56            #peak 358 #SUP 0.96 #QF 0.96
  7 TYR  QD     12 VAL  QG2     4.38            #peak 360 #SUP 0.55 #QF 0.55
  5 LEU  HB2    14 TYR  QD      4.08            #peak 361 #SUP 0.95 #QF 0.93
 18 ARG  QG     19 CAM  H1      4.58            #peak 361 #SUP 0.95 #QF 0.93
  5 LEU  HB2    14 TYR  HB2     4.49            #peak 365 #SUP 0.62 #QF 0.62
  5 LEU  HB3    11 CYSS HA      5.50            #peak 386 #SUP 0.94 #QF 0.43
  4 ARG  QG     11 CYSS HA      5.17            #peak 387 #SUP 0.95 #QF 0.95
  2 CYSS HA     15 CYSS HB2     4.21            #peak 394 #SUP 0.90 #QF 0.90
  4 ARG  QG     11 CYSS HB3     3.78            #peak 405 #SUP 0.98 #QF 0.98
  1 PCA  H       3 ARG  QB      4.79            #peak 291
  1 PCA  H      16 ARG  QB      5.34            #peak 292
  1 PCA  Q1      1 PCA  HA      3.28            #peak 154
  1 PCA  Q1      2 CYSS H       3.85            #peak 178
  3 ARG  H       3 ARG  QB      3.50            #peak 64
  3 ARG  H       3 ARG  QG      3.52            #peak 61
  3 ARG  QB      4 ARG  H       3.06            #peak 180
  3 ARG  HE      5 LEU  QQD     5.44            #peak 401
  4 ARG  H       4 ARG  QB      2.94            #peak 181
  4 ARG  QB      4 ARG  QD      3.40            #peak 230
  4 ARG  QB      4 ARG  HE      5.19            #peak 362
  4 ARG  QB      5 LEU  H       4.29            #peak 27
  4 ARG  QB     13 THR  HA      4.74            #peak 41
  5 LEU  H       5 LEU  QQD     4.43            #peak 18
  5 LEU  QQD     6 CYSS H       4.68            #peak 112
  5 LEU  QQD     7 TYR  QD      5.44            #peak 401
  5 LEU  QQD    14 TYR  HB2     4.40            #peak 48
  5 LEU  QQD    14 TYR  HB3     4.47            #peak 49
  5 LEU  QQD    14 TYR  QD      4.00            #peak 356
  5 LEU  QQD    14 TYR  QE      4.64            #peak 336
  7 TYR  QD      8 LYS  QG      4.36            #peak 359
  8 LYS  HA      8 LYS  QG      3.49            #peak 133
  9 GLN  H       9 GLN  QB      3.53            #peak 241
  9 GLN  H      10 ARG  QB      4.75            #peak 254
  9 GLN  QB     10 ARG  H       4.06            #peak 298
 10 ARG  H      10 ARG  QG      4.26            #peak 303
 10 ARG  QG     11 CYSS HA      5.34            #peak 386
 16 ARG  H      16 ARG  QB      3.26            #peak 285
 16 ARG  H      16 ARG  QG      3.88            #peak 321
 16 ARG  QG     17 GLY  H       4.54            #peak 270
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PCA   1           H        PCA   1   1.644  -0.009  -0.510
    2    HA   PCA   1           HA       PCA   1   0.716   2.037  -0.476
    3    HB2  PCA   1           HB2      PCA   1  -1.837   1.784   0.606
    4    HB3  PCA   1           HB3      PCA   1  -1.504   1.286  -1.061
    5    HG2  PCA   1           HG2      PCA   1  -1.487  -0.460   1.459
    6    HG3  PCA   1           HG3      PCA   1  -2.223  -0.819  -0.119
    7    H    CYS   2           H        CYS   2  -0.381   3.426   1.255
    8    HA   CYS   2           HA       CYS   2   0.644   2.721   3.920
    9    HB2  CYS   2           HB2      CYS   2   1.039   5.337   2.456
   10    HB3  CYS   2           HB3      CYS   2   1.384   5.102   4.166
   11    H    ARG   3           H        ARG   3  -0.322   3.951   5.677
   12    HA   ARG   3           HA       ARG   3  -2.885   5.218   5.027
   13    HB2  ARG   3           HB2      ARG   3  -2.522   3.024   7.077
   14    HB3  ARG   3           HB3      ARG   3  -3.992   3.961   6.843
   15    HG2  ARG   3           HG2      ARG   3  -3.768   3.078   4.376
   16    HG3  ARG   3           HG3      ARG   3  -2.821   1.812   5.159
   17    HD2  ARG   3           HD2      ARG   3  -5.648   2.606   5.847
   18    HD3  ARG   3           HD3      ARG   3  -5.162   1.161   4.961
   19    HE   ARG   3           HE       ARG   3  -3.952   1.382   7.558
   20   HH11  ARG   3          HH11      ARG   3  -6.748   0.302   5.786
   21   HH12  ARG   3          HH12      ARG   3  -7.209  -0.871   6.974
   22   HH21  ARG   3          HH21      ARG   3  -4.550  -0.159   9.129
   23   HH22  ARG   3          HH22      ARG   3  -5.959  -1.133   8.875
   24    H    ARG   4           H        ARG   4  -3.282   7.003   6.187
   25    HA   ARG   4           HA       ARG   4  -1.561   7.524   8.523
   26    HB2  ARG   4           HB2      ARG   4  -1.312   8.936   6.350
   27    HB3  ARG   4           HB3      ARG   4  -2.802   9.706   6.879
   28    HG2  ARG   4           HG2      ARG   4  -1.733  10.358   8.971
   29    HG3  ARG   4           HG3      ARG   4  -0.240   9.572   8.455
   30    HD2  ARG   4           HD2      ARG   4  -0.243  11.097   6.462
   31    HD3  ARG   4           HD3      ARG   4  -1.587  11.960   7.208
   32    HE   ARG   4           HE       ARG   4   0.647  11.727   8.966
   33   HH11  ARG   4          HH11      ARG   4  -0.629  13.526   6.272
   34   HH12  ARG   4          HH12      ARG   4   0.272  14.961   6.636
   35   HH21  ARG   4          HH21      ARG   4   1.838  13.610   9.455
   36   HH22  ARG   4          HH22      ARG   4   1.676  15.007   8.446
   37    H    LEU   5           H        LEU   5  -2.539   7.885  10.409
   38    HA   LEU   5           HA       LEU   5  -5.393   8.609  10.394
   39    HB2  LEU   5           HB2      LEU   5  -4.197   6.855  12.506
   40    HB3  LEU   5           HB3      LEU   5  -5.893   7.082  12.085
   41    HG   LEU   5           HG       LEU   5  -5.097   5.963   9.816
   42   HD11  LEU   5          HD11      LEU   5  -3.458   4.191  11.409
   43   HD12  LEU   5          HD12      LEU   5  -2.763   5.808  11.302
   44   HD13  LEU   5          HD13      LEU   5  -3.140   4.911   9.831
   45   HD21  LEU   5          HD21      LEU   5  -5.817   4.638  12.415
   46   HD22  LEU   5          HD22      LEU   5  -5.652   3.730  10.911
   47   HD23  LEU   5          HD23      LEU   5  -6.859   5.010  11.042
   48    H    CYS   6           H        CYS   6  -5.875  10.359  11.547
   49    HA   CYS   6           HA       CYS   6  -3.926  11.280  13.558
   50    HB2  CYS   6           HB2      CYS   6  -5.592  12.844  11.590
   51    HB3  CYS   6           HB3      CYS   6  -4.873  13.596  13.011
   52    H    TYR   7           H        TYR   7  -4.653  11.454  15.571
   53    HA   TYR   7           HA       TYR   7  -7.321  12.285  16.192
   54    HB2  TYR   7           HB2      TYR   7  -7.311   9.699  15.619
   55    HB3  TYR   7           HB3      TYR   7  -6.711   9.567  17.268
   56    HD1  TYR   7           HD1      TYR   7  -8.265   9.292  18.949
   57    HD2  TYR   7           HD2      TYR   7  -9.444  11.286  15.380
   58    HE1  TYR   7           HE1      TYR   7 -10.566   9.448  19.803
   59    HE2  TYR   7           HE2      TYR   7 -11.748  11.448  16.225
   60    HH   TYR   7           HH       TYR   7 -12.978  11.371  18.247
   61    H    LYS   8           H        LYS   8  -7.466  13.087  18.233
   62    HA   LYS   8           HA       LYS   8  -6.710  13.992  20.184
   63    HB2  LYS   8           HB2      LYS   8  -5.542  11.214  20.391
   64    HB3  LYS   8           HB3      LYS   8  -5.558  12.368  21.719
   65    HG2  LYS   8           HG2      LYS   8  -8.128  12.438  21.220
   66    HG3  LYS   8           HG3      LYS   8  -7.810  10.868  20.478
   67    HD2  LYS   8           HD2      LYS   8  -7.244   9.888  22.477
   68    HD3  LYS   8           HD3      LYS   8  -6.726  11.412  23.201
   69    HE2  LYS   8           HE2      LYS   8  -8.749  10.743  24.277
   70    HE3  LYS   8           HE3      LYS   8  -9.122  12.117  23.239
   71    HZ1  LYS   8           HZ1      LYS   8  -9.475   9.808  21.726
   72    HZ2  LYS   8           HZ2      LYS   8 -10.661  10.886  22.265
   73    HZ3  LYS   8           HZ3      LYS   8 -10.249   9.543  23.207
   74    H    GLN   9           H        GLN   9  -5.156  14.669  17.961
   75    HA   GLN   9           HA       GLN   9  -3.191  15.687  17.436
   76    HB2  GLN   9           HB2      GLN   9  -2.399  15.385  20.328
   77    HB3  GLN   9           HB3      GLN   9  -1.866  16.608  19.182
   78    HG2  GLN   9           HG2      GLN   9  -4.616  16.332  20.369
   79    HG3  GLN   9           HG3      GLN   9  -3.419  17.570  20.744
   80   HE21  GLN   9          HE21      GLN   9  -6.170  17.009  19.100
   81   HE22  GLN   9          HE22      GLN   9  -6.034  18.204  17.860
   82    H    ARG  10           H        ARG  10  -3.412  12.841  17.218
   83    HA   ARG  10           HA       ARG  10  -0.567  12.128  17.456
   84    HB2  ARG  10           HB2      ARG  10  -2.012  10.966  19.163
   85    HB3  ARG  10           HB3      ARG  10  -2.848  10.184  17.828
   86    HG2  ARG  10           HG2      ARG  10  -0.621   9.268  17.108
   87    HG3  ARG  10           HG3      ARG  10   0.030   9.872  18.633
   88    HD2  ARG  10           HD2      ARG  10  -1.138   8.348  19.892
   89    HD3  ARG  10           HD3      ARG  10  -2.417   8.176  18.691
   90    HE   ARG  10           HE       ARG  10  -0.126   7.148  17.540
   91   HH11  ARG  10          HH11      ARG  10  -2.110   6.480  20.321
   92   HH12  ARG  10          HH12      ARG  10  -1.758   4.784  20.328
   93   HH21  ARG  10          HH21      ARG  10   0.345   4.916  17.538
   94   HH22  ARG  10          HH22      ARG  10  -0.361   3.895  18.745
   95    H    CYS  11           H        CYS  11   0.068  12.319  15.383
   96    HA   CYS  11           HA       CYS  11  -1.529  10.943  13.325
   97    HB2  CYS  11           HB2      CYS  11   0.395  13.261  13.073
   98    HB3  CYS  11           HB3      CYS  11  -0.325  12.425  11.701
   99    H    VAL  12           H        VAL  12  -0.662   9.263  12.280
  100    HA   VAL  12           HA       VAL  12   2.238   8.915  12.232
  101    HB   VAL  12           HB       VAL  12   1.931   6.476  12.845
  102   HG11  VAL  12          HG11      VAL  12   1.180   7.939  15.277
  103   HG12  VAL  12          HG12      VAL  12   2.611   6.967  14.930
  104   HG13  VAL  12          HG13      VAL  12   2.522   8.638  14.373
  105   HG21  VAL  12          HG21      VAL  12  -0.722   7.520  13.829
  106   HG22  VAL  12          HG22      VAL  12  -0.465   6.303  12.578
  107   HG23  VAL  12          HG23      VAL  12  -0.035   5.952  14.251
  108    H    THR  13           H        THR  13   2.984   7.516  10.590
  109    HA   THR  13           HA       THR  13   0.967   6.914   8.527
  110    HB   THR  13           HB       THR  13   3.709   7.043   7.551
  111    HG1  THR  13           HG1      THR  13   4.152   8.723   8.839
  112   HG21  THR  13          HG21      THR  13   2.673   8.487   5.864
  113   HG22  THR  13          HG22      THR  13   1.190   8.541   6.818
  114   HG23  THR  13          HG23      THR  13   1.730   7.018   6.112
  115    H    TYR  14           H        TYR  14   0.545   4.796   8.623
  116    HA   TYR  14           HA       TYR  14   2.745   2.919   9.107
  117    HB2  TYR  14           HB2      TYR  14  -0.207   2.823   9.486
  118    HB3  TYR  14           HB3      TYR  14   0.618   1.310   9.126
  119    HD1  TYR  14           HD1      TYR  14   1.341   0.053  10.917
  120    HD2  TYR  14           HD2      TYR  14   1.015   4.269  11.382
  121    HE1  TYR  14           HE1      TYR  14   1.980  -0.165  13.282
  122    HE2  TYR  14           HE2      TYR  14   1.654   4.064  13.748
  123    HH   TYR  14           HH       TYR  14   2.659   0.979  15.118
  124    H    CYS  15           H        CYS  15   3.633   1.867   7.469
  125    HA   CYS  15           HA       CYS  15   2.076   1.558   4.984
  126    HB2  CYS  15           HB2      CYS  15   5.076   1.851   5.259
  127    HB3  CYS  15           HB3      CYS  15   4.187   1.672   3.749
  128    H    ARG  16           H        ARG  16   2.745  -0.313   3.639
  129    HA   ARG  16           HA       ARG  16   2.497  -2.713   4.986
  130    HB2  ARG  16           HB2      ARG  16   3.306  -3.774   2.868
  131    HB3  ARG  16           HB3      ARG  16   2.014  -2.602   2.643
  132    HG2  ARG  16           HG2      ARG  16   3.391  -1.075   1.615
  133    HG3  ARG  16           HG3      ARG  16   4.849  -1.724   2.368
  134    HD2  ARG  16           HD2      ARG  16   4.272  -3.852   0.968
  135    HD3  ARG  16           HD3      ARG  16   3.326  -2.722   0.000
  136    HE   ARG  16           HE       ARG  16   5.779  -1.545   0.227
  137   HH11  ARG  16          HH11      ARG  16   4.616  -4.624  -0.907
  138   HH12  ARG  16          HH12      ARG  16   5.888  -4.824  -2.067
  139   HH21  ARG  16          HH21      ARG  16   7.457  -1.796  -1.297
  140   HH22  ARG  16          HH22      ARG  16   7.504  -3.215  -2.287
  141    H    GLY  17           H        GLY  17   3.905  -4.318   5.655
  142    HA2  GLY  17           HA2      GLY  17   6.467  -4.852   5.293
  143    HA3  GLY  17           HA3      GLY  17   6.609  -3.384   6.249
  144    H    ARG  18           H        ARG  18   5.554  -3.388   8.385
  145    HA   ARG  18           HA       ARG  18   5.751  -6.060   9.598
  146    HB2  ARG  18           HB2      ARG  18   6.411  -3.313  10.547
  147    HB3  ARG  18           HB3      ARG  18   5.867  -4.486  11.739
  148    HG2  ARG  18           HG2      ARG  18   7.709  -5.858  11.418
  149    HG3  ARG  18           HG3      ARG  18   8.076  -5.160   9.840
  150    HD2  ARG  18           HD2      ARG  18   9.710  -4.349  11.365
  151    HD3  ARG  18           HD3      ARG  18   8.612  -3.014  11.018
  152    HE   ARG  18           HE       ARG  18   7.734  -4.372  13.319
  153   HH11  ARG  18          HH11      ARG  18  10.299  -2.284  12.233
  154   HH12  ARG  18          HH12      ARG  18  10.573  -1.591  13.797
  155   HH21  ARG  18          HH21      ARG  18   8.085  -3.467  15.383
  156   HH22  ARG  18          HH22      ARG  18   9.314  -2.265  15.588
  157    HN1  NH2  19           H1       NH2  19   4.020  -6.965  10.519
  158    HN2  NH2  19           H2       NH2  19   2.515  -6.228  10.852
  Start of MODEL    2
    1    H    PCA   1           H        PCA   1   1.130   0.297  -0.679
    2    HA   PCA   1           HA       PCA   1   1.414   2.496  -0.319
    3    HB2  PCA   1           HB2      PCA   1  -1.102   3.607   0.123
    4    HB3  PCA   1           HB3      PCA   1  -0.573   3.177  -1.513
    5    HG2  PCA   1           HG2      PCA   1  -2.224   1.477   0.434
    6    HG3  PCA   1           HG3      PCA   1  -2.511   1.751  -1.298
    7    H    CYS   2           H        CYS   2   0.406   4.092   1.445
    8    HA   CYS   2           HA       CYS   2   0.547   2.629   3.999
    9    HB2  CYS   2           HB2      CYS   2   1.429   5.478   3.519
   10    HB3  CYS   2           HB3      CYS   2   1.713   4.498   4.954
   11    H    ARG   3           H        ARG   3  -0.548   3.645   5.829
   12    HA   ARG   3           HA       ARG   3  -2.912   5.189   4.984
   13    HB2  ARG   3           HB2      ARG   3  -2.658   2.785   6.720
   14    HB3  ARG   3           HB3      ARG   3  -3.856   3.989   7.174
   15    HG2  ARG   3           HG2      ARG   3  -3.794   3.036   4.357
   16    HG3  ARG   3           HG3      ARG   3  -4.464   1.978   5.602
   17    HD2  ARG   3           HD2      ARG   3  -6.269   3.239   4.701
   18    HD3  ARG   3           HD3      ARG   3  -5.928   3.888   6.304
   19    HE   ARG   3           HE       ARG   3  -5.317   5.875   5.337
   20   HH11  ARG   3          HH11      ARG   3  -5.492   3.406   2.889
   21   HH12  ARG   3          HH12      ARG   3  -5.306   4.516   1.572
   22   HH21  ARG   3          HH21      ARG   3  -5.071   7.345   3.612
   23   HH22  ARG   3          HH22      ARG   3  -5.067   6.756   1.984
   24    H    ARG   4           H        ARG   4  -3.203   7.081   5.965
   25    HA   ARG   4           HA       ARG   4  -1.577   7.673   8.341
   26    HB2  ARG   4           HB2      ARG   4  -1.089   9.135   6.481
   27    HB3  ARG   4           HB3      ARG   4  -2.796   9.501   6.270
   28    HG2  ARG   4           HG2      ARG   4  -2.824  10.609   8.453
   29    HG3  ARG   4           HG3      ARG   4  -1.105  10.258   8.642
   30    HD2  ARG   4           HD2      ARG   4  -0.662  11.558   6.580
   31    HD3  ARG   4           HD3      ARG   4  -2.372  11.976   6.512
   32    HE   ARG   4           HE       ARG   4  -1.600  12.772   8.996
   33   HH11  ARG   4          HH11      ARG   4  -0.458  13.405   5.768
   34   HH12  ARG   4          HH12      ARG   4   0.121  14.995   6.145
   35   HH21  ARG   4          HH21      ARG   4  -0.842  14.862   9.503
   36   HH22  ARG   4          HH22      ARG   4  -0.098  15.822   8.270
   37    H    LEU   5           H        LEU   5  -2.550   7.939  10.237
   38    HA   LEU   5           HA       LEU   5  -5.411   8.631  10.269
   39    HB2  LEU   5           HB2      LEU   5  -4.175   6.864  12.345
   40    HB3  LEU   5           HB3      LEU   5  -5.876   7.067  11.933
   41    HG   LEU   5           HG       LEU   5  -5.060   5.994   9.645
   42   HD11  LEU   5          HD11      LEU   5  -3.465   4.075  10.565
   43   HD12  LEU   5          HD12      LEU   5  -2.921   5.393  11.602
   44   HD13  LEU   5          HD13      LEU   5  -2.843   5.562   9.848
   45   HD21  LEU   5          HD21      LEU   5  -6.768   5.186  11.339
   46   HD22  LEU   5          HD22      LEU   5  -5.464   4.240  12.054
   47   HD23  LEU   5          HD23      LEU   5  -5.955   3.945  10.385
   48    H    CYS   6           H        CYS   6  -6.011  10.204  11.653
   49    HA   CYS   6           HA       CYS   6  -3.988  11.193  13.554
   50    HB2  CYS   6           HB2      CYS   6  -5.817  12.739  11.721
   51    HB3  CYS   6           HB3      CYS   6  -5.068  13.476  13.134
   52    H    TYR   7           H        TYR   7  -4.626  11.255  15.602
   53    HA   TYR   7           HA       TYR   7  -7.326  11.897  16.350
   54    HB2  TYR   7           HB2      TYR   7  -7.127   9.325  15.763
   55    HB3  TYR   7           HB3      TYR   7  -6.429   9.238  17.377
   56    HD1  TYR   7           HD1      TYR   7  -7.888   8.699  19.072
   57    HD2  TYR   7           HD2      TYR   7  -9.371  10.855  15.717
   58    HE1  TYR   7           HE1      TYR   7 -10.145   8.652  20.047
   59    HE2  TYR   7           HE2      TYR   7 -11.632  10.816  16.684
   60    HH   TYR   7           HH       TYR   7 -12.744   8.912  18.686
   61    H    LYS   8           H        LYS   8  -7.421  12.733  18.370
   62    HA   LYS   8           HA       LYS   8  -6.653  13.698  20.285
   63    HB2  LYS   8           HB2      LYS   8  -5.181  11.066  20.519
   64    HB3  LYS   8           HB3      LYS   8  -5.458  12.201  21.834
   65    HG2  LYS   8           HG2      LYS   8  -7.970  11.874  21.195
   66    HG3  LYS   8           HG3      LYS   8  -7.377  10.382  20.463
   67    HD2  LYS   8           HD2      LYS   8  -6.347   9.773  22.626
   68    HD3  LYS   8           HD3      LYS   8  -7.043  11.230  23.340
   69    HE2  LYS   8           HE2      LYS   8  -9.261  10.434  22.979
   70    HE3  LYS   8           HE3      LYS   8  -8.683   9.087  21.999
   71    HZ1  LYS   8           HZ1      LYS   8  -7.378   8.778  24.366
   72    HZ2  LYS   8           HZ2      LYS   8  -8.752   7.921  23.877
   73    HZ3  LYS   8           HZ3      LYS   8  -8.915   9.298  24.846
   74    H    GLN   9           H        GLN   9  -5.236  14.449  17.992
   75    HA   GLN   9           HA       GLN   9  -3.365  15.590  17.379
   76    HB2  GLN   9           HB2      GLN   9  -2.444  15.380  20.241
   77    HB3  GLN   9           HB3      GLN   9  -2.040  16.622  19.062
   78    HG2  GLN   9           HG2      GLN   9  -4.301  17.469  19.123
   79    HG3  GLN   9           HG3      GLN   9  -4.784  16.171  20.215
   80   HE21  GLN   9          HE21      GLN   9  -4.841  19.102  20.526
   81   HE22  GLN   9          HE22      GLN   9  -3.952  19.430  21.971
   82    H    ARG  10           H        ARG  10  -3.401  12.732  17.200
   83    HA   ARG  10           HA       ARG  10  -0.508  12.217  17.334
   84    HB2  ARG  10           HB2      ARG  10  -1.868  10.989  19.101
   85    HB3  ARG  10           HB3      ARG  10  -2.600  10.091  17.778
   86    HG2  ARG  10           HG2      ARG  10  -0.079   9.639  17.147
   87    HG3  ARG  10           HG3      ARG  10   0.159   9.961  18.866
   88    HD2  ARG  10           HD2      ARG  10  -0.156   7.635  18.703
   89    HD3  ARG  10           HD3      ARG  10  -1.690   8.277  19.288
   90    HE   ARG  10           HE       ARG  10  -1.937   8.180  16.555
   91   HH11  ARG  10          HH11      ARG  10  -1.263   5.896  19.095
   92   HH12  ARG  10          HH12      ARG  10  -1.984   4.559  18.262
   93   HH21  ARG  10          HH21      ARG  10  -2.886   6.427  15.448
   94   HH22  ARG  10          HH22      ARG  10  -2.906   4.860  16.188
   95    H    CYS  11           H        CYS  11   0.027  12.426  15.233
   96    HA   CYS  11           HA       CYS  11  -1.548  10.911  13.259
   97    HB2  CYS  11           HB2      CYS  11   0.221  13.334  12.866
   98    HB3  CYS  11           HB3      CYS  11  -0.574  12.451  11.566
   99    H    VAL  12           H        VAL  12  -0.610   9.264  12.230
  100    HA   VAL  12           HA       VAL  12   2.299   9.138  12.018
  101    HB   VAL  12           HB       VAL  12   2.224   6.707  12.740
  102   HG11  VAL  12          HG11      VAL  12   2.670   7.234  14.988
  103   HG12  VAL  12          HG12      VAL  12   3.081   8.694  14.084
  104   HG13  VAL  12          HG13      VAL  12   1.559   8.603  14.973
  105   HG21  VAL  12          HG21      VAL  12  -0.355   6.739  12.642
  106   HG22  VAL  12          HG22      VAL  12   0.430   5.857  13.952
  107   HG23  VAL  12          HG23      VAL  12  -0.253   7.456  14.250
  108    H    THR  13           H        THR  13   3.053   7.724  10.389
  109    HA   THR  13           HA       THR  13   0.970   6.928   8.463
  110    HB   THR  13           HB       THR  13   3.669   7.091   7.373
  111    HG1  THR  13           HG1      THR  13   2.530   9.586   8.051
  112   HG21  THR  13          HG21      THR  13   2.535   8.376   5.642
  113   HG22  THR  13          HG22      THR  13   1.096   8.500   6.654
  114   HG23  THR  13          HG23      THR  13   1.608   6.929   6.037
  115    H    TYR  14           H        TYR  14   0.614   4.806   8.725
  116    HA   TYR  14           HA       TYR  14   2.906   3.020   9.133
  117    HB2  TYR  14           HB2      TYR  14  -0.004   2.852   9.773
  118    HB3  TYR  14           HB3      TYR  14   0.869   1.354   9.471
  119    HD1  TYR  14           HD1      TYR  14   3.027   0.972  10.845
  120    HD2  TYR  14           HD2      TYR  14   0.045   3.821  11.890
  121    HE1  TYR  14           HE1      TYR  14   3.858   0.985  13.160
  122    HE2  TYR  14           HE2      TYR  14   0.868   3.843  14.207
  123    HH   TYR  14           HH       TYR  14   2.679   3.273  15.523
  124    H    CYS  15           H        CYS  15   3.599   1.716   7.568
  125    HA   CYS  15           HA       CYS  15   1.934   1.450   5.152
  126    HB2  CYS  15           HB2      CYS  15   4.935   1.134   5.316
  127    HB3  CYS  15           HB3      CYS  15   3.948   1.253   3.861
  128    H    ARG  16           H        ARG  16   2.290  -0.584   3.911
  129    HA   ARG  16           HA       ARG  16   1.651  -2.825   5.399
  130    HB2  ARG  16           HB2      ARG  16   2.656  -2.400   2.620
  131    HB3  ARG  16           HB3      ARG  16   2.598  -4.043   3.250
  132    HG2  ARG  16           HG2      ARG  16   0.255  -2.154   3.130
  133    HG3  ARG  16           HG3      ARG  16   0.592  -3.437   1.967
  134    HD2  ARG  16           HD2      ARG  16   0.620  -4.971   4.062
  135    HD3  ARG  16           HD3      ARG  16  -0.255  -3.648   4.829
  136    HE   ARG  16           HE       ARG  16  -1.369  -4.500   2.313
  137   HH11  ARG  16          HH11      ARG  16  -1.331  -4.984   5.760
  138   HH12  ARG  16          HH12      ARG  16  -2.907  -5.701   5.807
  139   HH21  ARG  16          HH21      ARG  16  -3.445  -5.444   2.362
  140   HH22  ARG  16          HH22      ARG  16  -4.109  -5.963   3.874
  141    H    GLY  17           H        GLY  17   2.762  -4.386   6.440
  142    HA2  GLY  17           HA2      GLY  17   4.944  -5.694   6.304
  143    HA3  GLY  17           HA3      GLY  17   5.700  -4.116   6.469
  144    H    ARG  18           H        ARG  18   6.114  -3.372   8.456
  145    HA   ARG  18           HA       ARG  18   5.906  -4.999  10.705
  146    HB2  ARG  18           HB2      ARG  18   6.431  -2.073  10.316
  147    HB3  ARG  18           HB3      ARG  18   6.253  -2.726  11.940
  148    HG2  ARG  18           HG2      ARG  18   8.034  -4.457  11.114
  149    HG3  ARG  18           HG3      ARG  18   8.397  -3.198   9.930
  150    HD2  ARG  18           HD2      ARG  18   8.818  -1.605  11.694
  151    HD3  ARG  18           HD3      ARG  18   8.321  -2.775  12.915
  152    HE   ARG  18           HE       ARG  18  10.355  -4.029  11.644
  153   HH11  ARG  18          HH11      ARG  18  10.017  -0.891  13.116
  154   HH12  ARG  18          HH12      ARG  18  11.685  -0.780  13.569
  155   HH21  ARG  18          HH21      ARG  18  12.554  -3.893  12.235
  156   HH22  ARG  18          HH22      ARG  18  13.128  -2.487  13.066
  157    HN1  NH2  19           H1       NH2  19   4.460  -5.202  12.347
  158    HN2  NH2  19           H2       NH2  19   2.924  -4.459  12.434
  Start of MODEL    3
    1    H    PCA   1           H        PCA   1   1.302   0.002  -0.446
    2    HA   PCA   1           HA       PCA   1   1.082   2.237  -0.391
    3    HB2  PCA   1           HB2      PCA   1  -1.540   2.805   0.357
    4    HB3  PCA   1           HB3      PCA   1  -1.162   2.264  -1.287
    5    HG2  PCA   1           HG2      PCA   1  -2.044   0.552   1.099
    6    HG3  PCA   1           HG3      PCA   1  -2.636   0.487  -0.576
    7    H    CYS   2           H        CYS   2  -0.096   3.793   1.344
    8    HA   CYS   2           HA       CYS   2   0.692   2.781   3.999
    9    HB2  CYS   2           HB2      CYS   2   1.124   5.564   2.890
   10    HB3  CYS   2           HB3      CYS   2   1.530   5.037   4.521
   11    H    ARG   3           H        ARG   3  -0.280   4.001   5.818
   12    HA   ARG   3           HA       ARG   3  -2.892   5.166   5.142
   13    HB2  ARG   3           HB2      ARG   3  -2.299   2.824   6.881
   14    HB3  ARG   3           HB3      ARG   3  -3.554   3.933   7.414
   15    HG2  ARG   3           HG2      ARG   3  -4.433   3.624   4.964
   16    HG3  ARG   3           HG3      ARG   3  -3.492   2.135   5.046
   17    HD2  ARG   3           HD2      ARG   3  -4.825   1.220   6.674
   18    HD3  ARG   3           HD3      ARG   3  -5.321   2.792   7.301
   19    HE   ARG   3           HE       ARG   3  -7.079   2.778   5.837
   20   HH11  ARG   3          HH11      ARG   3  -4.753   0.387   4.840
   21   HH12  ARG   3          HH12      ARG   3  -5.772  -0.280   3.610
   22   HH21  ARG   3          HH21      ARG   3  -8.431   1.906   4.220
   23   HH22  ARG   3          HH22      ARG   3  -7.864   0.586   3.256
   24    H    ARG   4           H        ARG   4  -3.342   7.002   6.192
   25    HA   ARG   4           HA       ARG   4  -1.609   7.745   8.456
   26    HB2  ARG   4           HB2      ARG   4  -1.177   9.193   6.593
   27    HB3  ARG   4           HB3      ARG   4  -2.895   9.457   6.331
   28    HG2  ARG   4           HG2      ARG   4  -3.093  10.865   8.161
   29    HG3  ARG   4           HG3      ARG   4  -1.616  10.256   8.911
   30    HD2  ARG   4           HD2      ARG   4  -1.574  11.721   6.291
   31    HD3  ARG   4           HD3      ARG   4  -1.540  12.577   7.833
   32    HE   ARG   4           HE       ARG   4   0.466  10.782   8.083
   33   HH11  ARG   4          HH11      ARG   4  -0.342  13.140   5.652
   34   HH12  ARG   4          HH12      ARG   4   1.304  13.419   5.189
   35   HH21  ARG   4          HH21      ARG   4   2.637  11.142   7.483
   36   HH22  ARG   4          HH22      ARG   4   2.998  12.281   6.231
   37    H    LEU   5           H        LEU   5  -2.586   7.872  10.357
   38    HA   LEU   5           HA       LEU   5  -5.453   8.545  10.426
   39    HB2  LEU   5           HB2      LEU   5  -4.143   6.805  12.481
   40    HB3  LEU   5           HB3      LEU   5  -5.857   6.978  12.108
   41    HG   LEU   5           HG       LEU   5  -5.093   5.917   9.806
   42   HD11  LEU   5          HD11      LEU   5  -2.682   5.916  10.964
   43   HD12  LEU   5          HD12      LEU   5  -3.187   4.702   9.790
   44   HD13  LEU   5          HD13      LEU   5  -3.267   4.347  11.515
   45   HD21  LEU   5          HD21      LEU   5  -5.702   4.560  12.410
   46   HD22  LEU   5          HD22      LEU   5  -5.498   3.643  10.917
   47   HD23  LEU   5          HD23      LEU   5  -6.771   4.859  11.040
   48    H    CYS   6           H        CYS   6  -5.865  10.364  11.478
   49    HA   CYS   6           HA       CYS   6  -3.938  11.282  13.510
   50    HB2  CYS   6           HB2      CYS   6  -5.649  12.809  11.558
   51    HB3  CYS   6           HB3      CYS   6  -4.961  13.579  12.984
   52    H    TYR   7           H        TYR   7  -4.636  11.459  15.535
   53    HA   TYR   7           HA       TYR   7  -7.310  12.226  16.197
   54    HB2  TYR   7           HB2      TYR   7  -7.251   9.639  15.624
   55    HB3  TYR   7           HB3      TYR   7  -6.629   9.523  17.267
   56    HD1  TYR   7           HD1      TYR   7  -8.184   9.106  18.910
   57    HD2  TYR   7           HD2      TYR   7  -9.392  11.296  15.468
   58    HE1  TYR   7           HE1      TYR   7 -10.478   9.214  19.790
   59    HE2  TYR   7           HE2      TYR   7 -11.690  11.409  16.340
   60    HH   TYR   7           HH       TYR   7 -12.479  10.516  19.558
   61    H    LYS   8           H        LYS   8  -7.423  13.055  18.224
   62    HA   LYS   8           HA       LYS   8  -6.652  13.980  20.158
   63    HB2  LYS   8           HB2      LYS   8  -5.415  11.232  20.401
   64    HB3  LYS   8           HB3      LYS   8  -5.529  12.394  21.716
   65    HG2  LYS   8           HG2      LYS   8  -8.091  12.332  21.069
   66    HG3  LYS   8           HG3      LYS   8  -7.642  10.741  20.449
   67    HD2  LYS   8           HD2      LYS   8  -6.733  11.505  23.179
   68    HD3  LYS   8           HD3      LYS   8  -8.430  11.078  22.949
   69    HE2  LYS   8           HE2      LYS   8  -7.331   9.076  23.545
   70    HE3  LYS   8           HE3      LYS   8  -7.607   8.977  21.806
   71    HZ1  LYS   8           HZ1      LYS   8  -5.430   8.946  21.393
   72    HZ2  LYS   8           HZ2      LYS   8  -5.236   8.564  23.028
   73    HZ3  LYS   8           HZ3      LYS   8  -5.085  10.168  22.512
   74    H    GLN   9           H        GLN   9  -5.128  14.650  17.915
   75    HA   GLN   9           HA       GLN   9  -3.174  15.673  17.360
   76    HB2  GLN   9           HB2      GLN   9  -2.380  15.398  20.256
   77    HB3  GLN   9           HB3      GLN   9  -1.813  16.590  19.096
   78    HG2  GLN   9           HG2      GLN   9  -3.981  17.639  19.046
   79    HG3  GLN   9           HG3      GLN   9  -4.641  16.390  20.102
   80   HE21  GLN   9          HE21      GLN   9  -3.432  16.157  22.218
   81   HE22  GLN   9          HE22      GLN   9  -2.995  17.624  23.020
   82    H    ARG  10           H        ARG  10  -3.382  12.823  17.166
   83    HA   ARG  10           HA       ARG  10  -0.531  12.129  17.378
   84    HB2  ARG  10           HB2      ARG  10  -2.029  10.983  19.096
   85    HB3  ARG  10           HB3      ARG  10  -2.753  10.125  17.742
   86    HG2  ARG  10           HG2      ARG  10  -0.367   9.401  17.167
   87    HG3  ARG  10           HG3      ARG  10   0.044   9.944  18.797
   88    HD2  ARG  10           HD2      ARG  10  -0.405   7.625  18.958
   89    HD3  ARG  10           HD3      ARG  10  -1.805   8.453  19.634
   90    HE   ARG  10           HE       ARG  10  -2.095   7.831  16.849
   91   HH11  ARG  10          HH11      ARG  10  -2.425   6.604  20.090
   92   HH12  ARG  10          HH12      ARG  10  -3.611   5.417  19.660
   93   HH21  ARG  10          HH21      ARG  10  -3.656   6.272  16.270
   94   HH22  ARG  10          HH22      ARG  10  -4.309   5.229  17.486
   95    H    CYS  11           H        CYS  11   0.069  12.324  15.291
   96    HA   CYS  11           HA       CYS  11  -1.535  10.906  13.268
   97    HB2  CYS  11           HB2      CYS  11   0.348  13.253  12.966
   98    HB3  CYS  11           HB3      CYS  11  -0.386  12.397  11.614
   99    H    VAL  12           H        VAL  12  -0.657   9.224  12.240
  100    HA   VAL  12           HA       VAL  12   2.246   8.933  12.123
  101    HB   VAL  12           HB       VAL  12   2.020   6.508  12.805
  102   HG11  VAL  12          HG11      VAL  12   2.525   6.992  14.997
  103   HG12  VAL  12          HG12      VAL  12   2.774   8.564  14.236
  104   HG13  VAL  12          HG13      VAL  12   1.284   8.238  15.123
  105   HG21  VAL  12          HG21      VAL  12  -0.473   6.478  12.561
  106   HG22  VAL  12          HG22      VAL  12   0.126   5.809  14.079
  107   HG23  VAL  12          HG23      VAL  12  -0.568   7.429  14.044
  108    H    THR  13           H        THR  13   2.977   7.525  10.488
  109    HA   THR  13           HA       THR  13   0.915   6.825   8.501
  110    HB   THR  13           HB       THR  13   3.627   6.998   7.446
  111    HG1  THR  13           HG1      THR  13   4.127   8.772   8.505
  112   HG21  THR  13          HG21      THR  13   1.600   6.884   6.069
  113   HG22  THR  13          HG22      THR  13   2.512   8.360   5.747
  114   HG23  THR  13          HG23      THR  13   1.056   8.421   6.742
  115    H    TYR  14           H        TYR  14   0.547   4.702   8.671
  116    HA   TYR  14           HA       TYR  14   2.809   2.889   9.110
  117    HB2  TYR  14           HB2      TYR  14  -0.115   2.744   9.641
  118    HB3  TYR  14           HB3      TYR  14   0.713   1.237   9.263
  119    HD1  TYR  14           HD1      TYR  14   2.120   0.180  10.857
  120    HD2  TYR  14           HD2      TYR  14   0.616   4.087  11.620
  121    HE1  TYR  14           HE1      TYR  14   2.890   0.014  13.186
  122    HE2  TYR  14           HE2      TYR  14   1.384   3.932  13.953
  123    HH   TYR  14           HH       TYR  14   1.882   2.053  15.607
  124    H    CYS  15           H        CYS  15   3.687   1.946   7.403
  125    HA   CYS  15           HA       CYS  15   2.034   1.547   4.999
  126    HB2  CYS  15           HB2      CYS  15   5.048   1.693   5.172
  127    HB3  CYS  15           HB3      CYS  15   4.082   1.619   3.702
  128    H    ARG  16           H        ARG  16   2.284  -0.402   3.801
  129    HA   ARG  16           HA       ARG  16   2.527  -2.716   5.454
  130    HB2  ARG  16           HB2      ARG  16   1.991  -3.975   3.436
  131    HB3  ARG  16           HB3      ARG  16   0.916  -2.592   3.602
  132    HG2  ARG  16           HG2      ARG  16   2.084  -1.386   1.909
  133    HG3  ARG  16           HG3      ARG  16   3.360  -2.604   1.851
  134    HD2  ARG  16           HD2      ARG  16   0.477  -2.956   1.041
  135    HD3  ARG  16           HD3      ARG  16   1.877  -2.898  -0.029
  136    HE   ARG  16           HE       ARG  16   2.288  -4.973   1.781
  137   HH11  ARG  16          HH11      ARG  16   0.096  -4.141  -0.793
  138   HH12  ARG  16          HH12      ARG  16  -0.218  -5.787  -1.234
  139   HH21  ARG  16          HH21      ARG  16   1.882  -7.144   1.211
  140   HH22  ARG  16          HH22      ARG  16   0.798  -7.495  -0.093
  141    H    GLY  17           H        GLY  17   4.135  -4.213   5.584
  142    HA2  GLY  17           HA2      GLY  17   6.075  -5.196   4.280
  143    HA3  GLY  17           HA3      GLY  17   6.639  -3.536   4.174
  144    H    ARG  18           H        ARG  18   8.522  -4.851   5.165
  145    HA   ARG  18           HA       ARG  18   8.356  -5.558   7.916
  146    HB2  ARG  18           HB2      ARG  18  10.080  -6.269   6.079
  147    HB3  ARG  18           HB3      ARG  18  10.938  -4.820   6.589
  148    HG2  ARG  18           HG2      ARG  18  10.070  -6.872   8.586
  149    HG3  ARG  18           HG3      ARG  18  11.561  -7.068   7.662
  150    HD2  ARG  18           HD2      ARG  18  12.246  -4.793   8.461
  151    HD3  ARG  18           HD3      ARG  18  10.840  -4.814   9.526
  152    HE   ARG  18           HE       ARG  18  12.149  -7.120  10.125
  153   HH11  ARG  18          HH11      ARG  18  13.066  -3.763   9.998
  154   HH12  ARG  18          HH12      ARG  18  14.264  -3.909  11.241
  155   HH21  ARG  18          HH21      ARG  18  13.722  -7.325  11.762
  156   HH22  ARG  18          HH22      ARG  18  14.637  -5.936  12.243
  157    HN1  NH2  19           H1       NH2  19   8.015  -4.134   9.487
  158    HN2  NH2  19           H2       NH2  19   8.681  -2.571   9.648
  Start of MODEL    4
    1    H    PCA   1           H        PCA   1   1.882   0.343  -0.525
    2    HA   PCA   1           HA       PCA   1   0.462   2.078  -0.391
    3    HB2  PCA   1           HB2      PCA   1  -1.967   1.104   0.563
    4    HB3  PCA   1           HB3      PCA   1  -1.479   0.835  -1.119
    5    HG2  PCA   1           HG2      PCA   1  -1.074  -1.035   1.276
    6    HG3  PCA   1           HG3      PCA   1  -1.657  -1.447  -0.352
    7    H    CYS   2           H        CYS   2   0.044   3.467   1.162
    8    HA   CYS   2           HA       CYS   2   0.558   2.610   3.935
    9    HB2  CYS   2           HB2      CYS   2   1.340   5.238   2.658
   10    HB3  CYS   2           HB3      CYS   2   1.674   4.750   4.314
   11    H    ARG   3           H        ARG   3  -0.440   3.891   5.606
   12    HA   ARG   3           HA       ARG   3  -2.708   5.537   4.747
   13    HB2  ARG   3           HB2      ARG   3  -2.821   3.004   6.321
   14    HB3  ARG   3           HB3      ARG   3  -3.940   4.297   6.735
   15    HG2  ARG   3           HG2      ARG   3  -4.426   4.287   4.163
   16    HG3  ARG   3           HG3      ARG   3  -3.772   2.650   4.262
   17    HD2  ARG   3           HD2      ARG   3  -6.003   2.249   4.631
   18    HD3  ARG   3           HD3      ARG   3  -5.421   2.442   6.283
   19    HE   ARG   3           HE       ARG   3  -6.227   4.947   5.362
   20   HH11  ARG   3          HH11      ARG   3  -7.622   1.847   6.115
   21   HH12  ARG   3          HH12      ARG   3  -9.164   2.503   6.556
   22   HH21  ARG   3          HH21      ARG   3  -8.253   5.822   5.941
   23   HH22  ARG   3          HH22      ARG   3  -9.522   4.763   6.457
   24    H    ARG   4           H        ARG   4  -3.259   7.176   6.143
   25    HA   ARG   4           HA       ARG   4  -1.532   7.479   8.511
   26    HB2  ARG   4           HB2      ARG   4  -1.291   9.081   6.471
   27    HB3  ARG   4           HB3      ARG   4  -2.776   9.803   7.078
   28    HG2  ARG   4           HG2      ARG   4  -1.617  10.112   9.278
   29    HG3  ARG   4           HG3      ARG   4  -0.125   9.604   8.482
   30    HD2  ARG   4           HD2      ARG   4  -0.070  11.939   8.385
   31    HD3  ARG   4           HD3      ARG   4  -0.618  11.447   6.784
   32    HE   ARG   4           HE       ARG   4  -2.914  11.851   8.208
   33   HH11  ARG   4          HH11      ARG   4  -0.113  13.771   7.439
   34   HH12  ARG   4          HH12      ARG   4  -0.975  15.273   7.459
   35   HH21  ARG   4          HH21      ARG   4  -4.060  13.824   8.237
   36   HH22  ARG   4          HH22      ARG   4  -3.221  15.303   7.914
   37    H    LEU   5           H        LEU   5  -2.464   7.887  10.437
   38    HA   LEU   5           HA       LEU   5  -5.356   8.436  10.476
   39    HB2  LEU   5           HB2      LEU   5  -3.971   6.724  12.516
   40    HB3  LEU   5           HB3      LEU   5  -5.701   6.910  12.236
   41    HG   LEU   5           HG       LEU   5  -5.054   5.845   9.892
   42   HD11  LEU   5          HD11      LEU   5  -3.371   3.979  10.490
   43   HD12  LEU   5          HD12      LEU   5  -2.828   5.093  11.745
   44   HD13  LEU   5          HD13      LEU   5  -2.758   5.574  10.050
   45   HD21  LEU   5          HD21      LEU   5  -6.308   4.997  12.202
   46   HD22  LEU   5          HD22      LEU   5  -5.121   3.732  11.882
   47   HD23  LEU   5          HD23      LEU   5  -6.305   4.163  10.648
   48    H    CYS   6           H        CYS   6  -5.864  10.218  11.554
   49    HA   CYS   6           HA       CYS   6  -3.956  11.233  13.560
   50    HB2  CYS   6           HB2      CYS   6  -5.717  12.673  11.587
   51    HB3  CYS   6           HB3      CYS   6  -5.083  13.485  13.014
   52    H    TYR   7           H        TYR   7  -4.656  11.385  15.585
   53    HA   TYR   7           HA       TYR   7  -7.354  12.065  16.250
   54    HB2  TYR   7           HB2      TYR   7  -7.202   9.477  15.693
   55    HB3  TYR   7           HB3      TYR   7  -6.575   9.395  17.335
   56    HD1  TYR   7           HD1      TYR   7  -8.086   9.059  19.045
   57    HD2  TYR   7           HD2      TYR   7  -9.428  10.926  15.464
   58    HE1  TYR   7           HE1      TYR   7 -10.382   9.090  19.928
   59    HE2  TYR   7           HE2      TYR   7 -11.727  10.962  16.338
   60    HH   TYR   7           HH       TYR   7 -12.993  10.701  18.199
   61    H    LYS   8           H        LYS   8  -7.501  12.887  18.280
   62    HA   LYS   8           HA       LYS   8  -6.760  13.850  20.207
   63    HB2  LYS   8           HB2      LYS   8  -5.438  11.143  20.434
   64    HB3  LYS   8           HB3      LYS   8  -5.526  12.307  21.750
   65    HG2  LYS   8           HG2      LYS   8  -7.949  12.188  21.724
   66    HG3  LYS   8           HG3      LYS   8  -7.895  11.073  20.358
   67    HD2  LYS   8           HD2      LYS   8  -8.204   9.721  22.264
   68    HD3  LYS   8           HD3      LYS   8  -6.498   9.556  21.844
   69    HE2  LYS   8           HE2      LYS   8  -6.050  11.397  23.525
   70    HE3  LYS   8           HE3      LYS   8  -7.718  11.191  24.055
   71    HZ1  LYS   8           HZ1      LYS   8  -7.276   8.971  24.707
   72    HZ2  LYS   8           HZ2      LYS   8  -6.036   9.921  25.356
   73    HZ3  LYS   8           HZ3      LYS   8  -5.746   8.977  23.982
   74    H    GLN   9           H        GLN   9  -5.275  14.580  17.956
   75    HA   GLN   9           HA       GLN   9  -3.371  15.686  17.390
   76    HB2  GLN   9           HB2      GLN   9  -2.536  15.448  20.277
   77    HB3  GLN   9           HB3      GLN   9  -2.052  16.673  19.111
   78    HG2  GLN   9           HG2      GLN   9  -4.649  17.146  19.064
   79    HG3  GLN   9           HG3      GLN   9  -4.564  16.416  20.667
   80   HE21  GLN   9          HE21      GLN   9  -3.004  17.353  22.176
   81   HE22  GLN   9          HE22      GLN   9  -2.699  19.053  22.105
   82    H    ARG  10           H        ARG  10  -3.459  12.831  17.200
   83    HA   ARG  10           HA       ARG  10  -0.579  12.258  17.397
   84    HB2  ARG  10           HB2      ARG  10  -1.993  11.049  19.128
   85    HB3  ARG  10           HB3      ARG  10  -2.727  10.177  17.790
   86    HG2  ARG  10           HG2      ARG  10  -0.390   9.460  17.145
   87    HG3  ARG  10           HG3      ARG  10   0.131  10.100  18.706
   88    HD2  ARG  10           HD2      ARG  10  -1.236   8.557  19.888
   89    HD3  ARG  10           HD3      ARG  10  -2.070   8.069  18.412
   90    HE   ARG  10           HE       ARG  10   0.569   7.468  17.976
   91   HH11  ARG  10          HH11      ARG  10  -1.824   6.612  20.355
   92   HH12  ARG  10          HH12      ARG  10  -1.145   5.050  20.668
   93   HH21  ARG  10          HH21      ARG  10   1.474   5.413  18.379
   94   HH22  ARG  10          HH22      ARG  10   0.732   4.369  19.543
   95    H    CYS  11           H        CYS  11   0.013  12.461  15.311
   96    HA   CYS  11           HA       CYS  11  -1.550  10.990  13.291
   97    HB2  CYS  11           HB2      CYS  11   0.252  13.401  12.997
   98    HB3  CYS  11           HB3      CYS  11  -0.429  12.513  11.639
   99    H    VAL  12           H        VAL  12  -0.627   9.327  12.274
  100    HA   VAL  12           HA       VAL  12   2.281   9.127  12.137
  101    HB   VAL  12           HB       VAL  12   2.144   6.704  12.850
  102   HG11  VAL  12          HG11      VAL  12   2.532   7.210  15.102
  103   HG12  VAL  12          HG12      VAL  12   2.936   8.701  14.247
  104   HG13  VAL  12          HG13      VAL  12   1.393   8.556  15.089
  105   HG21  VAL  12          HG21      VAL  12  -0.337   6.562  12.631
  106   HG22  VAL  12          HG22      VAL  12   0.283   5.971  14.173
  107   HG23  VAL  12          HG23      VAL  12  -0.473   7.561  14.078
  108    H    THR  13           H        THR  13   3.041   7.704  10.520
  109    HA   THR  13           HA       THR  13   0.984   6.933   8.554
  110    HB   THR  13           HB       THR  13   3.681   7.139   7.475
  111    HG1  THR  13           HG1      THR  13   2.469   9.501   8.519
  112   HG21  THR  13          HG21      THR  13   1.694   6.988   6.083
  113   HG22  THR  13          HG22      THR  13   2.509   8.527   5.803
  114   HG23  THR  13          HG23      THR  13   1.054   8.468   6.798
  115    H    TYR  14           H        TYR  14   0.667   4.804   8.649
  116    HA   TYR  14           HA       TYR  14   2.998   3.048   9.033
  117    HB2  TYR  14           HB2      TYR  14   0.157   2.879   9.893
  118    HB3  TYR  14           HB3      TYR  14   0.956   1.372   9.462
  119    HD1  TYR  14           HD1      TYR  14   3.545   1.403  10.490
  120    HD2  TYR  14           HD2      TYR  14   0.096   3.248  12.161
  121    HE1  TYR  14           HE1      TYR  14   4.582   1.309  12.717
  122    HE2  TYR  14           HE2      TYR  14   1.123   3.161  14.394
  123    HH   TYR  14           HH       TYR  14   3.046   1.518  15.471
  124    H    CYS  15           H        CYS  15   3.611   1.756   7.426
  125    HA   CYS  15           HA       CYS  15   1.839   1.519   5.089
  126    HB2  CYS  15           HB2      CYS  15   4.846   1.217   5.248
  127    HB3  CYS  15           HB3      CYS  15   3.878   1.094   3.783
  128    H    ARG  16           H        ARG  16   1.661  -0.491   4.014
  129    HA   ARG  16           HA       ARG  16   1.315  -2.712   5.651
  130    HB2  ARG  16           HB2      ARG  16   1.544  -2.365   2.679
  131    HB3  ARG  16           HB3      ARG  16   1.416  -3.975   3.374
  132    HG2  ARG  16           HG2      ARG  16  -0.566  -1.830   4.041
  133    HG3  ARG  16           HG3      ARG  16  -0.726  -2.822   2.590
  134    HD2  ARG  16           HD2      ARG  16  -0.258  -4.194   5.184
  135    HD3  ARG  16           HD3      ARG  16  -1.854  -3.504   4.888
  136    HE   ARG  16           HE       ARG  16  -0.960  -5.087   2.694
  137   HH11  ARG  16          HH11      ARG  16  -2.355  -5.257   5.880
  138   HH12  ARG  16          HH12      ARG  16  -3.135  -6.778   5.598
  139   HH21  ARG  16          HH21      ARG  16  -1.982  -7.091   2.313
  140   HH22  ARG  16          HH22      ARG  16  -2.920  -7.821   3.570
  141    H    GLY  17           H        GLY  17   2.496  -4.587   6.016
  142    HA2  GLY  17           HA2      GLY  17   4.375  -6.021   5.671
  143    HA3  GLY  17           HA3      GLY  17   5.251  -4.655   4.999
  144    H    ARG  18           H        ARG  18   6.493  -3.413   6.311
  145    HA   ARG  18           HA       ARG  18   7.224  -4.438   8.841
  146    HB2  ARG  18           HB2      ARG  18   7.851  -1.830   7.459
  147    HB3  ARG  18           HB3      ARG  18   8.535  -2.278   9.016
  148    HG2  ARG  18           HG2      ARG  18   8.812  -4.163   6.731
  149    HG3  ARG  18           HG3      ARG  18   9.833  -2.724   6.789
  150    HD2  ARG  18           HD2      ARG  18  11.143  -4.241   7.914
  151    HD3  ARG  18           HD3      ARG  18  10.267  -3.494   9.247
  152    HE   ARG  18           HE       ARG  18   8.758  -5.666   8.472
  153   HH11  ARG  18          HH11      ARG  18  11.981  -5.112   9.664
  154   HH12  ARG  18          HH12      ARG  18  12.094  -6.651  10.453
  155   HH21  ARG  18          HH21      ARG  18   8.894  -7.694   9.507
  156   HH22  ARG  18          HH22      ARG  18  10.338  -8.120  10.362
  157    HN1  NH2  19           H1       NH2  19   5.928  -1.190   8.128
  158    HN2  NH2  19           H2       NH2  19   5.005  -0.999   9.552
  Start of MODEL    5
    1    H    PCA   1           H        PCA   1   1.217  -0.258  -0.449
    2    HA   PCA   1           HA       PCA   1   1.320   1.986  -0.433
    3    HB2  PCA   1           HB2      PCA   1  -1.247   2.940   0.074
    4    HB3  PCA   1           HB3      PCA   1  -0.809   2.315  -1.527
    5    HG2  PCA   1           HG2      PCA   1  -2.137   0.799   0.784
    6    HG3  PCA   1           HG3      PCA   1  -2.582   0.786  -0.937
    7    H    CYS   2           H        CYS   2   0.225   3.729   1.180
    8    HA   CYS   2           HA       CYS   2   0.679   2.676   3.895
    9    HB2  CYS   2           HB2      CYS   2   1.452   5.389   2.800
   10    HB3  CYS   2           HB3      CYS   2   1.682   4.854   4.461
   11    H    ARG   3           H        ARG   3  -0.309   3.993   5.632
   12    HA   ARG   3           HA       ARG   3  -2.722   5.426   4.766
   13    HB2  ARG   3           HB2      ARG   3  -2.539   3.011   6.504
   14    HB3  ARG   3           HB3      ARG   3  -3.725   4.239   6.926
   15    HG2  ARG   3           HG2      ARG   3  -4.362   4.030   4.383
   16    HG3  ARG   3           HG3      ARG   3  -3.609   2.442   4.562
   17    HD2  ARG   3           HD2      ARG   3  -5.900   2.118   5.013
   18    HD3  ARG   3           HD3      ARG   3  -5.100   2.117   6.583
   19    HE   ARG   3           HE       ARG   3  -5.877   4.712   6.187
   20   HH11  ARG   3          HH11      ARG   3  -7.476   1.621   6.268
   21   HH12  ARG   3          HH12      ARG   3  -8.975   2.265   6.855
   22   HH21  ARG   3          HH21      ARG   3  -7.844   5.571   6.961
   23   HH22  ARG   3          HH22      ARG   3  -9.182   4.512   7.248
   24    H    ARG   4           H        ARG   4  -3.421   7.063   6.131
   25    HA   ARG   4           HA       ARG   4  -1.573   7.740   8.324
   26    HB2  ARG   4           HB2      ARG   4  -1.695   9.206   6.165
   27    HB3  ARG   4           HB3      ARG   4  -3.190   9.805   6.874
   28    HG2  ARG   4           HG2      ARG   4  -1.681  10.177   8.981
   29    HG3  ARG   4           HG3      ARG   4  -0.380  10.156   7.790
   30    HD2  ARG   4           HD2      ARG   4  -1.051  12.426   8.088
   31    HD3  ARG   4           HD3      ARG   4  -1.637  11.898   6.510
   32    HE   ARG   4           HE       ARG   4  -3.580  11.574   8.589
   33   HH11  ARG   4          HH11      ARG   4  -2.183  13.832   6.338
   34   HH12  ARG   4          HH12      ARG   4  -3.584  14.848   6.286
   35   HH21  ARG   4          HH21      ARG   4  -5.431  12.906   8.531
   36   HH22  ARG   4          HH22      ARG   4  -5.432  14.322   7.535
   37    H    LEU   5           H        LEU   5  -2.421   7.934  10.294
   38    HA   LEU   5           HA       LEU   5  -5.334   8.303  10.533
   39    HB2  LEU   5           HB2      LEU   5  -3.634   6.650  12.388
   40    HB3  LEU   5           HB3      LEU   5  -5.390   6.800  12.395
   41    HG   LEU   5           HG       LEU   5  -4.080   5.687   9.964
   42   HD11  LEU   5          HD11      LEU   5  -4.728   3.529  11.668
   43   HD12  LEU   5          HD12      LEU   5  -3.652   4.602  12.561
   44   HD13  LEU   5          HD13      LEU   5  -3.155   3.960  10.996
   45   HD21  LEU   5          HD21      LEU   5  -6.167   4.223  10.171
   46   HD22  LEU   5          HD22      LEU   5  -6.400   5.926   9.772
   47   HD23  LEU   5          HD23      LEU   5  -6.685   5.358  11.418
   48    H    CYS   6           H        CYS   6  -5.887  10.054  11.638
   49    HA   CYS   6           HA       CYS   6  -3.956  11.166  13.568
   50    HB2  CYS   6           HB2      CYS   6  -5.794  12.544  11.621
   51    HB3  CYS   6           HB3      CYS   6  -5.146  13.383  13.027
   52    H    TYR   7           H        TYR   7  -4.627  11.326  15.604
   53    HA   TYR   7           HA       TYR   7  -7.332  11.928  16.306
   54    HB2  TYR   7           HB2      TYR   7  -7.101   9.337  15.769
   55    HB3  TYR   7           HB3      TYR   7  -6.468   9.295  17.411
   56    HD1  TYR   7           HD1      TYR   7  -7.961   8.969  19.141
   57    HD2  TYR   7           HD2      TYR   7  -9.375  10.684  15.514
   58    HE1  TYR   7           HE1      TYR   7 -10.255   8.942  20.029
   59    HE2  TYR   7           HE2      TYR   7 -11.673  10.664  16.391
   60    HH   TYR   7           HH       TYR   7 -12.358   9.779  19.718
   61    H    LYS   8           H        LYS   8  -7.469  12.764  18.331
   62    HA   LYS   8           HA       LYS   8  -6.725  13.763  20.240
   63    HB2  LYS   8           HB2      LYS   8  -5.377  11.069  20.446
   64    HB3  LYS   8           HB3      LYS   8  -5.373  12.250  21.749
   65    HG2  LYS   8           HG2      LYS   8  -7.952  12.193  21.461
   66    HG3  LYS   8           HG3      LYS   8  -7.643  10.657  20.648
   67    HD2  LYS   8           HD2      LYS   8  -6.428  11.212  23.326
   68    HD3  LYS   8           HD3      LYS   8  -8.109  10.688  23.207
   69    HE2  LYS   8           HE2      LYS   8  -7.537   8.618  22.348
   70    HE3  LYS   8           HE3      LYS   8  -5.975   9.180  21.758
   71    HZ1  LYS   8           HZ1      LYS   8  -5.850   7.709  23.731
   72    HZ2  LYS   8           HZ2      LYS   8  -6.651   8.895  24.634
   73    HZ3  LYS   8           HZ3      LYS   8  -5.129   9.223  23.970
   74    H    GLN   9           H        GLN   9  -5.297  14.518  17.962
   75    HA   GLN   9           HA       GLN   9  -3.433  15.670  17.357
   76    HB2  GLN   9           HB2      GLN   9  -2.550  15.473  20.234
   77    HB3  GLN   9           HB3      GLN   9  -2.107  16.699  19.054
   78    HG2  GLN   9           HG2      GLN   9  -4.652  17.206  19.017
   79    HG3  GLN   9           HG3      GLN   9  -4.658  16.357  20.562
   80   HE21  GLN   9          HE21      GLN   9  -2.451  17.117  21.799
   81   HE22  GLN   9          HE22      GLN   9  -2.404  18.828  22.031
   82    H    ARG  10           H        ARG  10  -3.446  12.812  17.184
   83    HA   ARG  10           HA       ARG  10  -0.550  12.318  17.335
   84    HB2  ARG  10           HB2      ARG  10  -1.934  11.087  19.092
   85    HB3  ARG  10           HB3      ARG  10  -2.613  10.163  17.758
   86    HG2  ARG  10           HG2      ARG  10  -0.369   9.391  17.158
   87    HG3  ARG  10           HG3      ARG  10   0.299  10.302  18.515
   88    HD2  ARG  10           HD2      ARG  10  -0.005   7.907  19.026
   89    HD3  ARG  10           HD3      ARG  10  -0.945   8.958  20.084
   90    HE   ARG  10           HE       ARG  10  -2.469   8.097  17.841
   91   HH11  ARG  10          HH11      ARG  10  -1.259   7.078  20.942
   92   HH12  ARG  10          HH12      ARG  10  -2.525   5.923  21.202
   93   HH21  ARG  10          HH21      ARG  10  -4.140   6.579  18.172
   94   HH22  ARG  10          HH22      ARG  10  -4.162   5.640  19.626
   95    H    CYS  11           H        CYS  11   0.018  12.495  15.245
   96    HA   CYS  11           HA       CYS  11  -1.555  10.994  13.257
   97    HB2  CYS  11           HB2      CYS  11   0.198  13.435  12.944
   98    HB3  CYS  11           HB3      CYS  11  -0.436  12.516  11.582
   99    H    VAL  12           H        VAL  12  -0.630   9.331  12.245
  100    HA   VAL  12           HA       VAL  12   2.278   9.157  12.068
  101    HB   VAL  12           HB       VAL  12   2.177   6.741  12.807
  102   HG11  VAL  12          HG11      VAL  12   3.129   8.521  14.197
  103   HG12  VAL  12          HG12      VAL  12   1.534   8.832  14.886
  104   HG13  VAL  12          HG13      VAL  12   2.334   7.286  15.175
  105   HG21  VAL  12          HG21      VAL  12   0.348   5.970  14.113
  106   HG22  VAL  12          HG22      VAL  12  -0.410   7.562  14.115
  107   HG23  VAL  12          HG23      VAL  12  -0.332   6.624  12.622
  108    H    THR  13           H        THR  13   3.030   7.736  10.450
  109    HA   THR  13           HA       THR  13   0.957   6.953   8.506
  110    HB   THR  13           HB       THR  13   3.665   7.095   7.437
  111    HG1  THR  13           HG1      THR  13   4.000   8.822   8.781
  112   HG21  THR  13          HG21      THR  13   2.541   8.419   5.709
  113   HG22  THR  13          HG22      THR  13   1.088   8.494   6.706
  114   HG23  THR  13          HG23      THR  13   1.641   6.946   6.066
  115    H    TYR  14           H        TYR  14   0.587   4.834   8.753
  116    HA   TYR  14           HA       TYR  14   2.882   3.037   9.136
  117    HB2  TYR  14           HB2      TYR  14   0.021   2.934   9.946
  118    HB3  TYR  14           HB3      TYR  14   0.800   1.406   9.554
  119    HD1  TYR  14           HD1      TYR  14   3.180   1.084  10.703
  120    HD2  TYR  14           HD2      TYR  14   0.112   3.663  12.132
  121    HE1  TYR  14           HE1      TYR  14   4.173   1.009  12.953
  122    HE2  TYR  14           HE2      TYR  14   1.096   3.596  14.386
  123    HH   TYR  14           HH       TYR  14   3.136   1.378  15.435
  124    H    CYS  15           H        CYS  15   3.486   1.683   7.572
  125    HA   CYS  15           HA       CYS  15   1.722   1.413   5.226
  126    HB2  CYS  15           HB2      CYS  15   4.723   1.066   5.275
  127    HB3  CYS  15           HB3      CYS  15   3.682   1.165   3.859
  128    H    ARG  16           H        ARG  16   1.827  -0.632   4.065
  129    HA   ARG  16           HA       ARG  16   1.710  -2.855   5.877
  130    HB2  ARG  16           HB2      ARG  16   1.240  -2.535   2.923
  131    HB3  ARG  16           HB3      ARG  16   1.244  -4.122   3.682
  132    HG2  ARG  16           HG2      ARG  16  -0.479  -1.982   4.828
  133    HG3  ARG  16           HG3      ARG  16  -0.984  -2.797   3.347
  134    HD2  ARG  16           HD2      ARG  16  -1.961  -4.145   4.924
  135    HD3  ARG  16           HD3      ARG  16  -0.410  -4.959   4.717
  136    HE   ARG  16           HE       ARG  16  -0.047  -3.138   6.754
  137   HH11  ARG  16          HH11      ARG  16  -2.097  -5.884   6.142
  138   HH12  ARG  16          HH12      ARG  16  -2.231  -6.321   7.814
  139   HH21  ARG  16          HH21      ARG  16  -0.215  -3.702   8.957
  140   HH22  ARG  16          HH22      ARG  16  -1.163  -5.079   9.414
  141    H    GLY  17           H        GLY  17   3.134  -4.492   6.147
  142    HA2  GLY  17           HA2      GLY  17   5.655  -4.302   4.620
  143    HA3  GLY  17           HA3      GLY  17   5.542  -4.869   6.280
  144    H    ARG  18           H        ARG  18   6.411  -6.014   3.527
  145    HA   ARG  18           HA       ARG  18   4.738  -8.411   3.472
  146    HB2  ARG  18           HB2      ARG  18   5.268  -7.300   1.334
  147    HB3  ARG  18           HB3      ARG  18   6.982  -7.561   1.633
  148    HG2  ARG  18           HG2      ARG  18   6.269  -9.227   0.109
  149    HG3  ARG  18           HG3      ARG  18   6.511 -10.019   1.666
  150    HD2  ARG  18           HD2      ARG  18   4.085  -9.856   2.088
  151    HD3  ARG  18           HD3      ARG  18   3.877  -9.143   0.489
  152    HE   ARG  18           HE       ARG  18   5.199 -11.550   0.126
  153   HH11  ARG  18          HH11      ARG  18   2.131 -10.455   1.354
  154   HH12  ARG  18          HH12      ARG  18   1.287 -11.899   0.902
  155   HH21  ARG  18          HH21      ARG  18   4.101 -13.457  -0.473
  156   HH22  ARG  18          HH22      ARG  18   2.409 -13.606  -0.136
  157    HN1  NH2  19           H1       NH2  19   5.317  -9.757   5.085
  158    HN2  NH2  19           H2       NH2  19   6.880 -10.373   5.390
  Start of MODEL    6
    1    H    PCA   1           H        PCA   1   2.138   0.715  -0.592
    2    HA   PCA   1           HA       PCA   1   0.465   2.196  -0.366
    3    HB2  PCA   1           HB2      PCA   1  -1.719   0.840   0.705
    4    HB3  PCA   1           HB3      PCA   1  -1.285   0.656  -1.003
    5    HG2  PCA   1           HG2      PCA   1  -0.455  -1.127   1.349
    6    HG3  PCA   1           HG3      PCA   1  -1.050  -1.626  -0.250
    7    H    CYS   2           H        CYS   2   0.017   3.524   1.201
    8    HA   CYS   2           HA       CYS   2   0.609   2.718   3.970
    9    HB2  CYS   2           HB2      CYS   2   1.444   5.293   2.616
   10    HB3  CYS   2           HB3      CYS   2   1.692   4.908   4.315
   11    H    ARG   3           H        ARG   3  -0.490   3.857   5.613
   12    HA   ARG   3           HA       ARG   3  -2.748   5.510   4.702
   13    HB2  ARG   3           HB2      ARG   3  -4.093   4.415   6.550
   14    HB3  ARG   3           HB3      ARG   3  -3.743   3.407   5.152
   15    HG2  ARG   3           HG2      ARG   3  -2.101   2.182   6.325
   16    HG3  ARG   3           HG3      ARG   3  -2.079   3.345   7.651
   17    HD2  ARG   3           HD2      ARG   3  -4.574   2.721   7.922
   18    HD3  ARG   3           HD3      ARG   3  -4.158   1.303   6.959
   19    HE   ARG   3           HE       ARG   3  -2.386   1.688   9.171
   20   HH11  ARG   3          HH11      ARG   3  -5.489   0.423   8.227
   21   HH12  ARG   3          HH12      ARG   3  -5.566  -0.718   9.529
   22   HH21  ARG   3          HH21      ARG   3  -2.477   0.192  10.889
   23   HH22  ARG   3          HH22      ARG   3  -3.852  -0.848  11.044
   24    H    ARG   4           H        ARG   4  -3.420   7.140   6.105
   25    HA   ARG   4           HA       ARG   4  -1.576   7.683   8.340
   26    HB2  ARG   4           HB2      ARG   4  -1.472   9.236   6.339
   27    HB3  ARG   4           HB3      ARG   4  -3.099   9.754   6.761
   28    HG2  ARG   4           HG2      ARG   4  -2.372  10.679   8.814
   29    HG3  ARG   4           HG3      ARG   4  -0.788   9.915   8.674
   30    HD2  ARG   4           HD2      ARG   4  -0.295  12.055   8.005
   31    HD3  ARG   4           HD3      ARG   4  -0.659  11.298   6.454
   32    HE   ARG   4           HE       ARG   4  -2.999  12.426   7.569
   33   HH11  ARG   4          HH11      ARG   4  -0.008  13.308   6.019
   34   HH12  ARG   4          HH12      ARG   4  -0.637  14.777   5.350
   35   HH21  ARG   4          HH21      ARG   4  -3.837  14.359   6.695
   36   HH22  ARG   4          HH22      ARG   4  -2.815  15.376   5.737
   37    H    LEU   5           H        LEU   5  -2.428   7.889  10.311
   38    HA   LEU   5           HA       LEU   5  -5.338   8.291  10.538
   39    HB2  LEU   5           HB2      LEU   5  -3.654   6.631  12.402
   40    HB3  LEU   5           HB3      LEU   5  -5.409   6.790  12.400
   41    HG   LEU   5           HG       LEU   5  -4.098   5.668   9.976
   42   HD11  LEU   5          HD11      LEU   5  -3.642   4.595  12.558
   43   HD12  LEU   5          HD12      LEU   5  -3.206   3.914  10.990
   44   HD13  LEU   5          HD13      LEU   5  -4.766   3.529  11.716
   45   HD21  LEU   5          HD21      LEU   5  -6.671   6.128  10.668
   46   HD22  LEU   5          HD22      LEU   5  -6.482   4.456  11.200
   47   HD23  LEU   5          HD23      LEU   5  -6.158   4.889   9.520
   48    H    CYS   6           H        CYS   6  -5.878  10.058  11.620
   49    HA   CYS   6           HA       CYS   6  -3.950  11.161  13.559
   50    HB2  CYS   6           HB2      CYS   6  -5.785  12.540  11.608
   51    HB3  CYS   6           HB3      CYS   6  -5.136  13.379  13.013
   52    H    TYR   7           H        TYR   7  -4.623  11.351  15.592
   53    HA   TYR   7           HA       TYR   7  -7.328  11.952  16.293
   54    HB2  TYR   7           HB2      TYR   7  -7.104   9.358  15.764
   55    HB3  TYR   7           HB3      TYR   7  -6.469   9.320  17.405
   56    HD1  TYR   7           HD1      TYR   7  -7.924   9.313  19.240
   57    HD2  TYR   7           HD2      TYR   7  -9.411  10.401  15.405
   58    HE1  TYR   7           HE1      TYR   7 -10.217   9.294  20.129
   59    HE2  TYR   7           HE2      TYR   7 -11.707  10.386  16.284
   60    HH   TYR   7           HH       TYR   7 -12.868   9.092  18.380
   61    H    LYS   8           H        LYS   8  -7.461  12.798  18.313
   62    HA   LYS   8           HA       LYS   8  -6.716  13.801  20.219
   63    HB2  LYS   8           HB2      LYS   8  -5.402  11.093  20.428
   64    HB3  LYS   8           HB3      LYS   8  -5.349  12.281  21.725
   65    HG2  LYS   8           HG2      LYS   8  -7.788  12.257  21.851
   66    HG3  LYS   8           HG3      LYS   8  -7.842  11.064  20.549
   67    HD2  LYS   8           HD2      LYS   8  -6.202  10.489  22.973
   68    HD3  LYS   8           HD3      LYS   8  -7.956  10.318  23.066
   69    HE2  LYS   8           HE2      LYS   8  -7.978   8.683  21.356
   70    HE3  LYS   8           HE3      LYS   8  -6.310   9.031  20.902
   71    HZ1  LYS   8           HZ1      LYS   8  -6.624   6.966  22.231
   72    HZ2  LYS   8           HZ2      LYS   8  -7.091   7.925  23.542
   73    HZ3  LYS   8           HZ3      LYS   8  -5.529   8.063  22.908
   74    H    GLN   9           H        GLN   9  -5.284  14.540  17.939
   75    HA   GLN   9           HA       GLN   9  -3.414  15.685  17.332
   76    HB2  GLN   9           HB2      GLN   9  -2.545  15.495  20.214
   77    HB3  GLN   9           HB3      GLN   9  -2.079  16.707  19.030
   78    HG2  GLN   9           HG2      GLN   9  -4.739  16.362  20.375
   79    HG3  GLN   9           HG3      GLN   9  -3.632  17.730  20.477
   80   HE21  GLN   9          HE21      GLN   9  -6.430  17.709  19.734
   81   HE22  GLN   9          HE22      GLN   9  -6.518  18.362  18.138
   82    H    ARG  10           H        ARG  10  -3.438  12.825  17.172
   83    HA   ARG  10           HA       ARG  10  -0.543  12.322  17.327
   84    HB2  ARG  10           HB2      ARG  10  -2.010  11.102  19.071
   85    HB3  ARG  10           HB3      ARG  10  -2.566  10.133  17.714
   86    HG2  ARG  10           HG2      ARG  10   0.013   9.827  17.303
   87    HG3  ARG  10           HG3      ARG  10   0.097  10.214  19.022
   88    HD2  ARG  10           HD2      ARG  10  -0.120   7.934  19.113
   89    HD3  ARG  10           HD3      ARG  10  -1.812   8.426  19.197
   90    HE   ARG  10           HE       ARG  10  -0.994   8.010  16.509
   91   HH11  ARG  10          HH11      ARG  10  -1.904   6.332  19.422
   92   HH12  ARG  10          HH12      ARG  10  -2.486   4.930  18.587
   93   HH21  ARG  10          HH21      ARG  10  -1.758   6.169  15.400
   94   HH22  ARG  10          HH22      ARG  10  -2.402   4.837  16.300
   95    H    CYS  11           H        CYS  11   0.025  12.490  15.236
   96    HA   CYS  11           HA       CYS  11  -1.550  10.984  13.254
   97    HB2  CYS  11           HB2      CYS  11   0.208  13.420  12.929
   98    HB3  CYS  11           HB3      CYS  11  -0.431  12.497  11.573
   99    H    VAL  12           H        VAL  12  -0.625   9.315  12.248
  100    HA   VAL  12           HA       VAL  12   2.283   9.137  12.074
  101    HB   VAL  12           HB       VAL  12   2.176   6.724  12.822
  102   HG11  VAL  12          HG11      VAL  12   1.419   8.268  15.209
  103   HG12  VAL  12          HG12      VAL  12   2.891   7.358  14.861
  104   HG13  VAL  12          HG13      VAL  12   2.688   8.987  14.216
  105   HG21  VAL  12          HG21      VAL  12  -0.501   7.623  13.882
  106   HG22  VAL  12          HG22      VAL  12  -0.212   6.375  12.669
  107   HG23  VAL  12          HG23      VAL  12   0.317   6.127  14.333
  108    H    THR  13           H        THR  13   3.034   7.737  10.448
  109    HA   THR  13           HA       THR  13   0.963   6.943   8.509
  110    HB   THR  13           HB       THR  13   3.673   7.072   7.445
  111    HG1  THR  13           HG1      THR  13   4.019   9.228   7.713
  112   HG21  THR  13          HG21      THR  13   2.559   8.394   5.710
  113   HG22  THR  13          HG22      THR  13   1.106   8.481   6.705
  114   HG23  THR  13          HG23      THR  13   1.648   6.928   6.072
  115    H    TYR  14           H        TYR  14   0.582   4.827   8.761
  116    HA   TYR  14           HA       TYR  14   2.857   3.020   9.187
  117    HB2  TYR  14           HB2      TYR  14  -0.032   2.922   9.889
  118    HB3  TYR  14           HB3      TYR  14   0.761   1.393   9.521
  119    HD1  TYR  14           HD1      TYR  14   3.117   1.099  10.753
  120    HD2  TYR  14           HD2      TYR  14  -0.048   3.608  12.089
  121    HE1  TYR  14           HE1      TYR  14   4.024   1.016  13.038
  122    HE2  TYR  14           HE2      TYR  14   0.850   3.532  14.377
  123    HH   TYR  14           HH       TYR  14   3.781   1.673  15.141
  124    H    CYS  15           H        CYS  15   3.537   1.722   7.615
  125    HA   CYS  15           HA       CYS  15   1.841   1.435   5.223
  126    HB2  CYS  15           HB2      CYS  15   4.853   1.234   5.416
  127    HB3  CYS  15           HB3      CYS  15   3.898   1.135   3.941
  128    H    ARG  16           H        ARG  16   2.200  -0.605   3.986
  129    HA   ARG  16           HA       ARG  16   1.650  -2.841   5.568
  130    HB2  ARG  16           HB2      ARG  16   2.302  -2.392   2.699
  131    HB3  ARG  16           HB3      ARG  16   2.411  -4.038   3.310
  132    HG2  ARG  16           HG2      ARG  16  -0.042  -2.414   3.821
  133    HG3  ARG  16           HG3      ARG  16   0.200  -3.200   2.259
  134    HD2  ARG  16           HD2      ARG  16   0.552  -4.770   4.776
  135    HD3  ARG  16           HD3      ARG  16  -1.073  -4.435   4.180
  136    HE   ARG  16           HE       ARG  16   0.281  -5.424   2.016
  137   HH11  ARG  16          HH11      ARG  16  -0.416  -6.545   5.238
  138   HH12  ARG  16          HH12      ARG  16  -0.426  -8.221   4.792
  139   HH21  ARG  16          HH21      ARG  16   0.269  -7.624   1.418
  140   HH22  ARG  16          HH22      ARG  16  -0.036  -8.832   2.620
  141    H    GLY  17           H        GLY  17   2.866  -4.469   6.401
  142    HA2  GLY  17           HA2      GLY  17   5.299  -5.435   5.727
  143    HA3  GLY  17           HA3      GLY  17   5.707  -3.989   6.640
  144    H    ARG  18           H        ARG  18   5.204  -3.889   8.862
  145    HA   ARG  18           HA       ARG  18   4.288  -6.381  10.103
  146    HB2  ARG  18           HB2      ARG  18   6.839  -6.238   9.982
  147    HB3  ARG  18           HB3      ARG  18   6.709  -4.917  11.136
  148    HG2  ARG  18           HG2      ARG  18   5.296  -6.675  12.487
  149    HG3  ARG  18           HG3      ARG  18   6.214  -7.822  11.510
  150    HD2  ARG  18           HD2      ARG  18   7.620  -7.610  13.301
  151    HD3  ARG  18           HD3      ARG  18   8.242  -6.325  12.267
  152    HE   ARG  18           HE       ARG  18   6.295  -5.177  13.860
  153   HH11  ARG  18          HH11      ARG  18   9.350  -6.789  14.301
  154   HH12  ARG  18          HH12      ARG  18   9.742  -5.928  15.752
  155   HH21  ARG  18          HH21      ARG  18   6.800  -4.038  15.769
  156   HH22  ARG  18          HH22      ARG  18   8.291  -4.364  16.587
  157    HN1  NH2  19           H1       NH2  19   2.683  -5.924  11.445
  158    HN2  NH2  19           H2       NH2  19   2.445  -4.500  12.357
  Start of MODEL    7
    1    H    PCA   1           H        PCA   1   0.996  -0.772   0.151
    2    HA   PCA   1           HA       PCA   1   0.927   1.451  -0.169
    3    HB2  PCA   1           HB2      PCA   1  -1.657   2.305   0.420
    4    HB3  PCA   1           HB3      PCA   1  -1.301   1.475  -1.103
    5    HG2  PCA   1           HG2      PCA   1  -2.321   0.245   1.514
    6    HG3  PCA   1           HG3      PCA   1  -2.899  -0.058  -0.140
    7    H    CYS   2           H        CYS   2   0.017   3.374   1.226
    8    HA   CYS   2           HA       CYS   2   0.674   2.759   4.033
    9    HB2  CYS   2           HB2      CYS   2   1.296   5.269   2.461
   10    HB3  CYS   2           HB3      CYS   2   1.654   5.023   4.167
   11    H    ARG   3           H        ARG   3  -0.437   3.856   5.661
   12    HA   ARG   3           HA       ARG   3  -2.745   5.467   4.818
   13    HB2  ARG   3           HB2      ARG   3  -2.734   2.959   6.434
   14    HB3  ARG   3           HB3      ARG   3  -3.877   4.221   6.872
   15    HG2  ARG   3           HG2      ARG   3  -4.408   4.156   4.289
   16    HG3  ARG   3           HG3      ARG   3  -3.763   2.519   4.444
   17    HD2  ARG   3           HD2      ARG   3  -6.026   2.211   4.834
   18    HD3  ARG   3           HD3      ARG   3  -5.366   2.336   6.463
   19    HE   ARG   3           HE       ARG   3  -6.550   4.274   6.755
   20   HH11  ARG   3          HH11      ARG   3  -6.431   3.508   3.360
   21   HH12  ARG   3          HH12      ARG   3  -7.550   4.751   2.908
   22   HH21  ARG   3          HH21      ARG   3  -8.024   5.913   6.172
   23   HH22  ARG   3          HH22      ARG   3  -8.455   6.119   4.508
   24    H    ARG   4           H        ARG   4  -3.277   7.148   6.147
   25    HA   ARG   4           HA       ARG   4  -1.548   7.538   8.505
   26    HB2  ARG   4           HB2      ARG   4  -1.202   9.086   6.519
   27    HB3  ARG   4           HB3      ARG   4  -2.800   9.734   6.859
   28    HG2  ARG   4           HG2      ARG   4  -2.095  10.522   9.004
   29    HG3  ARG   4           HG3      ARG   4  -0.539   9.705   8.845
   30    HD2  ARG   4           HD2      ARG   4   0.205  11.195   7.201
   31    HD3  ARG   4           HD3      ARG   4  -1.427  11.772   6.861
   32    HE   ARG   4           HE       ARG   4  -0.623  12.342   9.538
   33   HH11  ARG   4          HH11      ARG   4  -0.327  13.399   6.234
   34   HH12  ARG   4          HH12      ARG   4  -0.011  15.051   6.656
   35   HH21  ARG   4          HH21      ARG   4  -0.209  14.511  10.104
   36   HH22  ARG   4          HH22      ARG   4   0.058  15.681   8.856
   37    H    LEU   5           H        LEU   5  -2.499   7.881  10.420
   38    HA   LEU   5           HA       LEU   5  -5.382   8.477  10.453
   39    HB2  LEU   5           HB2      LEU   5  -4.079   6.795  12.557
   40    HB3  LEU   5           HB3      LEU   5  -5.784   6.914  12.128
   41    HG   LEU   5           HG       LEU   5  -4.923   5.836   9.869
   42   HD11  LEU   5          HD11      LEU   5  -2.862   5.022   9.877
   43   HD12  LEU   5          HD12      LEU   5  -3.176   4.135  11.367
   44   HD13  LEU   5          HD13      LEU   5  -2.592   5.797  11.438
   45   HD21  LEU   5          HD21      LEU   5  -5.922   3.917  10.572
   46   HD22  LEU   5          HD22      LEU   5  -6.457   4.994  11.861
   47   HD23  LEU   5          HD23      LEU   5  -5.087   3.915  12.125
   48    H    CYS   6           H        CYS   6  -5.894  10.240  11.562
   49    HA   CYS   6           HA       CYS   6  -3.967  11.250  13.550
   50    HB2  CYS   6           HB2      CYS   6  -5.761  12.701  11.612
   51    HB3  CYS   6           HB3      CYS   6  -5.093  13.505  13.031
   52    H    TYR   7           H        TYR   7  -4.643  11.383  15.585
   53    HA   TYR   7           HA       TYR   7  -7.345  12.046  16.277
   54    HB2  TYR   7           HB2      TYR   7  -7.168   9.459  15.724
   55    HB3  TYR   7           HB3      TYR   7  -6.517   9.387  17.357
   56    HD1  TYR   7           HD1      TYR   7  -7.967   9.260  19.174
   57    HD2  TYR   7           HD2      TYR   7  -9.449  10.657  15.438
   58    HE1  TYR   7           HE1      TYR   7 -10.249   9.265  20.088
   59    HE2  TYR   7           HE2      TYR   7 -11.736  10.667  16.342
   60    HH   TYR   7           HH       TYR   7 -12.463  10.595  19.506
   61    H    LYS   8           H        LYS   8  -7.471  12.886  18.297
   62    HA   LYS   8           HA       LYS   8  -6.719  13.864  20.213
   63    HB2  LYS   8           HB2      LYS   8  -5.481  11.121  20.407
   64    HB3  LYS   8           HB3      LYS   8  -5.367  12.301  21.706
   65    HG2  LYS   8           HG2      LYS   8  -7.967  12.387  21.461
   66    HG3  LYS   8           HG3      LYS   8  -7.741  10.810  20.701
   67    HD2  LYS   8           HD2      LYS   8  -6.982   9.834  22.641
   68    HD3  LYS   8           HD3      LYS   8  -6.400  11.361  23.307
   69    HE2  LYS   8           HE2      LYS   8  -9.321  10.751  22.923
   70    HE3  LYS   8           HE3      LYS   8  -8.452  10.363  24.406
   71    HZ1  LYS   8           HZ1      LYS   8  -9.605  12.500  24.532
   72    HZ2  LYS   8           HZ2      LYS   8  -8.689  13.083  23.236
   73    HZ3  LYS   8           HZ3      LYS   8  -7.933  12.685  24.696
   74    H    GLN   9           H        GLN   9  -5.256  14.584  17.943
   75    HA   GLN   9           HA       GLN   9  -3.361  15.695  17.353
   76    HB2  GLN   9           HB2      GLN   9  -2.501  15.481  20.235
   77    HB3  GLN   9           HB3      GLN   9  -2.031  16.700  19.058
   78    HG2  GLN   9           HG2      GLN   9  -4.421  17.441  19.005
   79    HG3  GLN   9           HG3      GLN   9  -4.718  16.348  20.357
   80   HE21  GLN   9          HE21      GLN   9  -4.821  19.322  20.063
   81   HE22  GLN   9          HE22      GLN   9  -3.841  19.924  21.353
   82    H    ARG  10           H        ARG  10  -3.437  12.838  17.183
   83    HA   ARG  10           HA       ARG  10  -0.553  12.279  17.359
   84    HB2  ARG  10           HB2      ARG  10  -1.885  11.073  19.124
   85    HB3  ARG  10           HB3      ARG  10  -2.719  10.227  17.826
   86    HG2  ARG  10           HG2      ARG  10  -0.373   9.516  17.060
   87    HG3  ARG  10           HG3      ARG  10   0.144  10.019  18.670
   88    HD2  ARG  10           HD2      ARG  10  -0.353   7.621  18.581
   89    HD3  ARG  10           HD3      ARG  10  -1.436   8.474  19.682
   90    HE   ARG  10           HE       ARG  10  -2.504   8.187  17.035
   91   HH11  ARG  10          HH11      ARG  10  -2.105   6.642  20.129
   92   HH12  ARG  10          HH12      ARG  10  -3.481   5.606  19.937
   93   HH21  ARG  10          HH21      ARG  10  -4.317   6.829  16.769
   94   HH22  ARG  10          HH22      ARG  10  -4.737   5.713  18.024
   95    H    CYS  11           H        CYS  11   0.025  12.456  15.270
   96    HA   CYS  11           HA       CYS  11  -1.556  10.973  13.276
   97    HB2  CYS  11           HB2      CYS  11   0.250  13.375  12.945
   98    HB3  CYS  11           HB3      CYS  11  -0.447  12.479  11.599
   99    H    VAL  12           H        VAL  12  -0.645   9.299  12.265
  100    HA   VAL  12           HA       VAL  12   2.263   9.091  12.110
  101    HB   VAL  12           HB       VAL  12   2.105   6.664  12.834
  102   HG11  VAL  12          HG11      VAL  12   1.550   8.781  14.909
  103   HG12  VAL  12          HG12      VAL  12   2.294   7.208  15.203
  104   HG13  VAL  12          HG13      VAL  12   3.125   8.407  14.214
  105   HG21  VAL  12          HG21      VAL  12   0.246   6.113  14.363
  106   HG22  VAL  12          HG22      VAL  12  -0.535   7.633  13.926
  107   HG23  VAL  12          HG23      VAL  12  -0.295   6.383  12.706
  108    H    THR  13           H        THR  13   3.008   7.661  10.494
  109    HA   THR  13           HA       THR  13   0.937   6.882   8.547
  110    HB   THR  13           HB       THR  13   3.597   7.031   7.414
  111    HG1  THR  13           HG1      THR  13   4.124   8.712   8.686
  112   HG21  THR  13          HG21      THR  13   1.592   7.008   6.065
  113   HG22  THR  13          HG22      THR  13   2.429   8.543   5.826
  114   HG23  THR  13          HG23      THR  13   1.000   8.469   6.858
  115    H    TYR  14           H        TYR  14   0.608   4.758   8.619
  116    HA   TYR  14           HA       TYR  14   2.913   2.984   9.068
  117    HB2  TYR  14           HB2      TYR  14   0.037   2.829   9.809
  118    HB3  TYR  14           HB3      TYR  14   0.846   1.318   9.404
  119    HD1  TYR  14           HD1      TYR  14   2.836   0.599  10.734
  120    HD2  TYR  14           HD2      TYR  14   0.436   3.920  11.878
  121    HE1  TYR  14           HE1      TYR  14   3.778   0.491  13.005
  122    HE2  TYR  14           HE2      TYR  14   1.372   3.822  14.150
  123    HH   TYR  14           HH       TYR  14   3.821   1.401  15.025
  124    H    CYS  15           H        CYS  15   3.635   1.827   7.415
  125    HA   CYS  15           HA       CYS  15   1.909   1.524   5.052
  126    HB2  CYS  15           HB2      CYS  15   4.924   1.370   5.263
  127    HB3  CYS  15           HB3      CYS  15   3.990   1.206   3.779
  128    H    ARG  16           H        ARG  16   1.831  -0.477   3.955
  129    HA   ARG  16           HA       ARG  16   1.607  -2.734   5.581
  130    HB2  ARG  16           HB2      ARG  16   1.410  -4.007   3.469
  131    HB3  ARG  16           HB3      ARG  16   0.410  -2.561   3.482
  132    HG2  ARG  16           HG2      ARG  16   1.297  -2.397   1.396
  133    HG3  ARG  16           HG3      ARG  16   2.524  -1.511   2.304
  134    HD2  ARG  16           HD2      ARG  16   4.026  -3.296   2.246
  135    HD3  ARG  16           HD3      ARG  16   2.765  -4.464   1.859
  136    HE   ARG  16           HE       ARG  16   3.153  -2.467  -0.171
  137   HH11  ARG  16          HH11      ARG  16   4.205  -5.553   1.051
  138   HH12  ARG  16          HH12      ARG  16   4.830  -6.089  -0.472
  139   HH21  ARG  16          HH21      ARG  16   3.974  -3.163  -2.183
  140   HH22  ARG  16          HH22      ARG  16   4.699  -4.729  -2.311
  141    H    GLY  17           H        GLY  17   2.836  -4.689   5.636
  142    HA2  GLY  17           HA2      GLY  17   4.967  -5.717   4.683
  143    HA3  GLY  17           HA3      GLY  17   5.712  -4.209   5.194
  144    H    ARG  18           H        ARG  18   4.920  -3.705   7.631
  145    HA   ARG  18           HA       ARG  18   5.457  -6.160   9.174
  146    HB2  ARG  18           HB2      ARG  18   6.422  -3.366   9.813
  147    HB3  ARG  18           HB3      ARG  18   6.743  -4.814  10.757
  148    HG2  ARG  18           HG2      ARG  18   7.637  -4.423   7.911
  149    HG3  ARG  18           HG3      ARG  18   8.635  -4.082   9.326
  150    HD2  ARG  18           HD2      ARG  18   8.390  -6.431  10.031
  151    HD3  ARG  18           HD3      ARG  18   7.457  -6.753   8.571
  152    HE   ARG  18           HE       ARG  18   9.407  -6.767   7.357
  153   HH11  ARG  18          HH11      ARG  18  10.014  -5.473  10.532
  154   HH12  ARG  18          HH12      ARG  18  11.737  -5.482  10.347
  155   HH21  ARG  18          HH21      ARG  18  11.673  -6.783   7.103
  156   HH22  ARG  18          HH22      ARG  18  12.680  -6.227   8.397
  157    HN1  NH2  19           H1       NH2  19   5.066  -5.414  11.683
  158    HN2  NH2  19           H2       NH2  19   3.490  -4.833  11.994
  Start of MODEL    8
    1    H    PCA   1           H        PCA   1   1.210  -0.304  -0.465
    2    HA   PCA   1           HA       PCA   1   0.992   1.931  -0.449
    3    HB2  PCA   1           HB2      PCA   1  -1.673   2.511   0.111
    4    HB3  PCA   1           HB3      PCA   1  -1.185   1.951  -1.496
    5    HG2  PCA   1           HG2      PCA   1  -2.233   0.265   0.840
    6    HG3  PCA   1           HG3      PCA   1  -2.710   0.185  -0.872
    7    H    CYS   2           H        CYS   2   0.127   3.587   1.142
    8    HA   CYS   2           HA       CYS   2   0.533   2.557   3.873
    9    HB2  CYS   2           HB2      CYS   2   1.300   5.281   2.802
   10    HB3  CYS   2           HB3      CYS   2   1.629   4.661   4.417
   11    H    ARG   3           H        ARG   3  -0.370   4.014   5.591
   12    HA   ARG   3           HA       ARG   3  -2.734   5.512   4.751
   13    HB2  ARG   3           HB2      ARG   3  -4.228   4.334   6.193
   14    HB3  ARG   3           HB3      ARG   3  -3.402   3.132   5.211
   15    HG2  ARG   3           HG2      ARG   3  -1.841   2.753   7.119
   16    HG3  ARG   3           HG3      ARG   3  -2.861   3.818   8.087
   17    HD2  ARG   3           HD2      ARG   3  -4.720   2.346   7.893
   18    HD3  ARG   3           HD3      ARG   3  -3.903   1.377   6.669
   19    HE   ARG   3           HE       ARG   3  -2.262   1.151   8.795
   20   HH11  ARG   3          HH11      ARG   3  -5.695   0.718   8.399
   21   HH12  ARG   3          HH12      ARG   3  -5.818  -0.485   9.639
   22   HH21  ARG   3          HH21      ARG   3  -2.412  -0.432  10.430
   23   HH22  ARG   3          HH22      ARG   3  -3.951  -1.137  10.795
   24    H    ARG   4           H        ARG   4  -3.316   7.156   6.127
   25    HA   ARG   4           HA       ARG   4  -1.561   7.560   8.462
   26    HB2  ARG   4           HB2      ARG   4  -1.149   9.138   6.581
   27    HB3  ARG   4           HB3      ARG   4  -2.812   9.691   6.720
   28    HG2  ARG   4           HG2      ARG   4  -2.410  10.597   8.887
   29    HG3  ARG   4           HG3      ARG   4  -0.811   9.854   8.959
   30    HD2  ARG   4           HD2      ARG   4  -0.015  11.271   7.188
   31    HD3  ARG   4           HD3      ARG   4  -1.633  11.920   6.925
   32    HE   ARG   4           HE       ARG   4  -0.706  12.351   9.593
   33   HH11  ARG   4          HH11      ARG   4  -0.539  13.540   6.324
   34   HH12  ARG   4          HH12      ARG   4  -0.163  15.164   6.797
   35   HH21  ARG   4          HH21      ARG   4  -0.211  14.485  10.227
   36   HH22  ARG   4          HH22      ARG   4   0.025  15.700   9.016
   37    H    LEU   5           H        LEU   5  -2.492   7.927  10.386
   38    HA   LEU   5           HA       LEU   5  -5.384   8.478  10.447
   39    HB2  LEU   5           HB2      LEU   5  -4.046   6.793  12.526
   40    HB3  LEU   5           HB3      LEU   5  -5.756   6.905  12.121
   41    HG   LEU   5           HG       LEU   5  -4.893   5.854   9.838
   42   HD11  LEU   5          HD11      LEU   5  -2.804   5.166  11.872
   43   HD12  LEU   5          HD12      LEU   5  -2.601   5.685  10.198
   44   HD13  LEU   5          HD13      LEU   5  -3.194   4.063  10.552
   45   HD21  LEU   5          HD21      LEU   5  -5.310   3.585  10.936
   46   HD22  LEU   5          HD22      LEU   5  -6.600   4.785  11.029
   47   HD23  LEU   5          HD23      LEU   5  -5.563   4.493  12.427
   48    H    CYS   6           H        CYS   6  -5.908  10.225  11.575
   49    HA   CYS   6           HA       CYS   6  -3.976  11.237  13.560
   50    HB2  CYS   6           HB2      CYS   6  -5.783  12.701  11.642
   51    HB3  CYS   6           HB3      CYS   6  -5.087  13.493  13.051
   52    H    TYR   7           H        TYR   7  -4.655  11.379  15.594
   53    HA   TYR   7           HA       TYR   7  -7.356  12.027  16.287
   54    HB2  TYR   7           HB2      TYR   7  -7.182   9.446  15.724
   55    HB3  TYR   7           HB3      TYR   7  -6.525   9.364  17.354
   56    HD1  TYR   7           HD1      TYR   7  -8.015   8.943  19.059
   57    HD2  TYR   7           HD2      TYR   7  -9.418  10.931  15.568
   58    HE1  TYR   7           HE1      TYR   7 -10.296   8.940  19.981
   59    HE2  TYR   7           HE2      TYR   7 -11.702  10.934  16.481
   60    HH   TYR   7           HH       TYR   7 -13.041   9.762  18.095
   61    H    LYS   8           H        LYS   8  -7.483  12.861  18.309
   62    HA   LYS   8           HA       LYS   8  -6.735  13.833  20.230
   63    HB2  LYS   8           HB2      LYS   8  -5.408  11.126  20.447
   64    HB3  LYS   8           HB3      LYS   8  -5.465  12.296  21.759
   65    HG2  LYS   8           HG2      LYS   8  -7.832  12.141  21.903
   66    HG3  LYS   8           HG3      LYS   8  -7.920  11.197  20.413
   67    HD2  LYS   8           HD2      LYS   8  -6.791   9.344  21.471
   68    HD3  LYS   8           HD3      LYS   8  -6.529  10.294  22.935
   69    HE2  LYS   8           HE2      LYS   8  -9.225   9.533  21.815
   70    HE3  LYS   8           HE3      LYS   8  -8.409   8.706  23.142
   71    HZ1  LYS   8           HZ1      LYS   8  -8.412  11.351  23.854
   72    HZ2  LYS   8           HZ2      LYS   8  -9.419  10.142  24.474
   73    HZ3  LYS   8           HZ3      LYS   8  -9.947  11.103  23.187
   74    H    GLN   9           H        GLN   9  -5.270  14.558  17.959
   75    HA   GLN   9           HA       GLN   9  -3.375  15.672  17.375
   76    HB2  GLN   9           HB2      GLN   9  -2.503  15.462  20.251
   77    HB3  GLN   9           HB3      GLN   9  -2.067  16.694  19.075
   78    HG2  GLN   9           HG2      GLN   9  -4.834  16.280  20.179
   79    HG3  GLN   9           HG3      GLN   9  -3.679  17.474  20.767
   80   HE21  GLN   9          HE21      GLN   9  -6.191  16.893  18.653
   81   HE22  GLN   9          HE22      GLN   9  -6.019  18.286  17.645
   82    H    ARG  10           H        ARG  10  -3.445  12.814  17.206
   83    HA   ARG  10           HA       ARG  10  -0.561  12.262  17.389
   84    HB2  ARG  10           HB2      ARG  10  -1.958  11.060  19.140
   85    HB3  ARG  10           HB3      ARG  10  -2.687  10.168  17.811
   86    HG2  ARG  10           HG2      ARG  10  -0.773   8.985  17.369
   87    HG3  ARG  10           HG3      ARG  10   0.279  10.223  18.058
   88    HD2  ARG  10           HD2      ARG  10  -0.350   9.612  20.284
   89    HD3  ARG  10           HD3      ARG  10  -1.606   8.530  19.686
   90    HE   ARG  10           HE       ARG  10   0.965   7.791  18.715
   91   HH11  ARG  10          HH11      ARG  10  -1.112   7.640  21.505
   92   HH12  ARG  10          HH12      ARG  10  -0.382   6.200  22.133
   93   HH21  ARG  10          HH21      ARG  10   1.937   5.896  19.533
   94   HH22  ARG  10          HH22      ARG  10   1.353   5.210  21.011
   95    H    CYS  11           H        CYS  11   0.003  12.467  15.293
   96    HA   CYS  11           HA       CYS  11  -1.555  10.956  13.301
   97    HB2  CYS  11           HB2      CYS  11   0.224  13.376  12.946
   98    HB3  CYS  11           HB3      CYS  11  -0.513  12.482  11.620
   99    H    VAL  12           H        VAL  12  -0.614   9.297  12.294
  100    HA   VAL  12           HA       VAL  12   2.296   9.146  12.124
  101    HB   VAL  12           HB       VAL  12   2.208   6.729  12.864
  102   HG11  VAL  12          HG11      VAL  12   1.575   8.853  14.909
  103   HG12  VAL  12          HG12      VAL  12   2.313   7.288  15.250
  104   HG13  VAL  12          HG13      VAL  12   3.169   8.471  14.262
  105   HG21  VAL  12          HG21      VAL  12  -0.444   7.585  14.021
  106   HG22  VAL  12          HG22      VAL  12  -0.226   6.450  12.689
  107   HG23  VAL  12          HG23      VAL  12   0.367   6.044  14.298
  108    H    THR  13           H        THR  13   3.061   7.722  10.510
  109    HA   THR  13           HA       THR  13   0.997   6.909   8.570
  110    HB   THR  13           HB       THR  13   3.666   7.089   7.449
  111    HG1  THR  13           HG1      THR  13   2.552   9.529   8.405
  112   HG21  THR  13          HG21      THR  13   1.677   7.006   6.082
  113   HG22  THR  13          HG22      THR  13   2.478   8.556   5.833
  114   HG23  THR  13          HG23      THR  13   1.043   8.460   6.854
  115    H    TYR  14           H        TYR  14   0.693   4.782   8.609
  116    HA   TYR  14           HA       TYR  14   3.024   3.035   9.044
  117    HB2  TYR  14           HB2      TYR  14   0.174   2.859   9.879
  118    HB3  TYR  14           HB3      TYR  14   0.988   1.353   9.468
  119    HD1  TYR  14           HD1      TYR  14   2.768   0.480  10.855
  120    HD2  TYR  14           HD2      TYR  14   0.887   4.175  11.810
  121    HE1  TYR  14           HE1      TYR  14   3.779   0.409  13.094
  122    HE2  TYR  14           HE2      TYR  14   1.895   4.115  14.053
  123    HH   TYR  14           HH       TYR  14   3.088   1.493  15.463
  124    H    CYS  15           H        CYS  15   3.678   1.800   7.415
  125    HA   CYS  15           HA       CYS  15   1.898   1.502   5.090
  126    HB2  CYS  15           HB2      CYS  15   4.912   1.260   5.211
  127    HB3  CYS  15           HB3      CYS  15   3.921   1.172   3.758
  128    H    ARG  16           H        ARG  16   2.463  -0.546   3.771
  129    HA   ARG  16           HA       ARG  16   1.777  -2.788   5.319
  130    HB2  ARG  16           HB2      ARG  16   2.240  -4.087   3.243
  131    HB3  ARG  16           HB3      ARG  16   1.182  -2.705   2.991
  132    HG2  ARG  16           HG2      ARG  16   2.948  -1.443   2.000
  133    HG3  ARG  16           HG3      ARG  16   4.138  -2.672   2.434
  134    HD2  ARG  16           HD2      ARG  16   1.875  -2.939   0.459
  135    HD3  ARG  16           HD3      ARG  16   3.602  -2.896   0.102
  136    HE   ARG  16           HE       ARG  16   3.263  -5.025   1.803
  137   HH11  ARG  16          HH11      ARG  16   2.014  -4.071  -1.303
  138   HH12  ARG  16          HH12      ARG  16   1.799  -5.696  -1.862
  139   HH21  ARG  16          HH21      ARG  16   2.983  -7.169   1.078
  140   HH22  ARG  16          HH22      ARG  16   2.349  -7.458  -0.507
  141    H    GLY  17           H        GLY  17   2.948  -4.579   5.993
  142    HA2  GLY  17           HA2      GLY  17   5.661  -5.061   5.424
  143    HA3  GLY  17           HA3      GLY  17   5.562  -4.126   6.909
  144    H    ARG  18           H        ARG  18   6.666  -6.647   6.903
  145    HA   ARG  18           HA       ARG  18   4.895  -8.001   8.753
  146    HB2  ARG  18           HB2      ARG  18   5.119 -10.187   7.611
  147    HB3  ARG  18           HB3      ARG  18   4.210  -9.017   6.664
  148    HG2  ARG  18           HG2      ARG  18   6.370  -8.539   5.433
  149    HG3  ARG  18           HG3      ARG  18   7.021  -9.974   6.229
  150    HD2  ARG  18           HD2      ARG  18   4.713  -9.798   4.305
  151    HD3  ARG  18           HD3      ARG  18   6.233 -10.667   4.101
  152    HE   ARG  18           HE       ARG  18   5.125 -11.815   6.298
  153   HH11  ARG  18          HH11      ARG  18   4.009 -11.212   3.055
  154   HH12  ARG  18          HH12      ARG  18   2.967 -12.596   3.017
  155   HH21  ARG  18          HH21      ARG  18   3.757 -13.639   6.260
  156   HH22  ARG  18          HH22      ARG  18   2.825 -13.975   4.841
  157    HN1  NH2  19           H1       NH2  19   5.993  -9.775   9.902
  158    HN2  NH2  19           H2       NH2  19   7.683  -9.734  10.144
  Start of MODEL    9
    1    H    PCA   1           H        PCA   1   1.934   0.096  -0.403
    2    HA   PCA   1           HA       PCA   1   0.819   2.045  -0.350
    3    HB2  PCA   1           HB2      PCA   1  -1.798   1.495   0.427
    4    HB3  PCA   1           HB3      PCA   1  -1.248   1.146  -1.219
    5    HG2  PCA   1           HG2      PCA   1  -1.328  -0.764   1.178
    6    HG3  PCA   1           HG3      PCA   1  -1.859  -1.075  -0.490
    7    H    CYS   2           H        CYS   2   0.160   3.469   1.218
    8    HA   CYS   2           HA       CYS   2   0.600   2.558   3.988
    9    HB2  CYS   2           HB2      CYS   2   1.408   5.206   2.768
   10    HB3  CYS   2           HB3      CYS   2   1.662   4.723   4.443
   11    H    ARG   3           H        ARG   3  -0.354   4.001   5.648
   12    HA   ARG   3           HA       ARG   3  -2.680   5.521   4.733
   13    HB2  ARG   3           HB2      ARG   3  -4.185   4.392   6.258
   14    HB3  ARG   3           HB3      ARG   3  -3.458   3.213   5.176
   15    HG2  ARG   3           HG2      ARG   3  -1.983   2.443   6.889
   16    HG3  ARG   3           HG3      ARG   3  -2.471   3.753   7.965
   17    HD2  ARG   3           HD2      ARG   3  -3.728   2.009   8.782
   18    HD3  ARG   3           HD3      ARG   3  -4.856   2.743   7.643
   19    HE   ARG   3           HE       ARG   3  -3.448   0.805   6.248
   20   HH11  ARG   3          HH11      ARG   3  -5.638   0.968   8.947
   21   HH12  ARG   3          HH12      ARG   3  -6.294  -0.613   8.679
   22   HH21  ARG   3          HH21      ARG   3  -4.302  -1.278   5.882
   23   HH22  ARG   3          HH22      ARG   3  -5.533  -1.891   6.936
   24    H    ARG   4           H        ARG   4  -3.279   7.190   6.073
   25    HA   ARG   4           HA       ARG   4  -1.535   7.639   8.405
   26    HB2  ARG   4           HB2      ARG   4  -1.376   9.190   6.345
   27    HB3  ARG   4           HB3      ARG   4  -2.922   9.830   6.884
   28    HG2  ARG   4           HG2      ARG   4  -2.024  10.820   8.743
   29    HG3  ARG   4           HG3      ARG   4  -0.680   9.679   8.834
   30    HD2  ARG   4           HD2      ARG   4   0.182  10.726   6.698
   31    HD3  ARG   4           HD3      ARG   4  -1.030  11.985   6.932
   32    HE   ARG   4           HE       ARG   4   0.270  11.981   9.289
   33   HH11  ARG   4          HH11      ARG   4   1.372  12.104   5.989
   34   HH12  ARG   4          HH12      ARG   4   2.790  13.029   6.360
   35   HH21  ARG   4          HH21      ARG   4   2.132  13.199   9.789
   36   HH22  ARG   4          HH22      ARG   4   3.222  13.650   8.522
   37    H    LEU   5           H        LEU   5  -2.460   7.922  10.339
   38    HA   LEU   5           HA       LEU   5  -5.358   8.434  10.437
   39    HB2  LEU   5           HB2      LEU   5  -3.855   6.652  12.342
   40    HB3  LEU   5           HB3      LEU   5  -5.598   6.905  12.261
   41    HG   LEU   5           HG       LEU   5  -4.225   5.758   9.880
   42   HD11  LEU   5          HD11      LEU   5  -4.169   4.564  12.519
   43   HD12  LEU   5          HD12      LEU   5  -3.368   4.060  11.032
   44   HD13  LEU   5          HD13      LEU   5  -5.026   3.555  11.353
   45   HD21  LEU   5          HD21      LEU   5  -6.821   4.925  11.126
   46   HD22  LEU   5          HD22      LEU   5  -6.303   4.810   9.443
   47   HD23  LEU   5          HD23      LEU   5  -6.713   6.380  10.134
   48    H    CYS   6           H        CYS   6  -5.881  10.177  11.571
   49    HA   CYS   6           HA       CYS   6  -3.956  11.181  13.565
   50    HB2  CYS   6           HB2      CYS   6  -5.762  12.641  11.649
   51    HB3  CYS   6           HB3      CYS   6  -5.107  13.431  13.080
   52    H    TYR   7           H        TYR   7  -4.630  11.235  15.600
   53    HA   TYR   7           HA       TYR   7  -7.342  11.868  16.303
   54    HB2  TYR   7           HB2      TYR   7  -7.122   9.291  15.723
   55    HB3  TYR   7           HB3      TYR   7  -6.466   9.214  17.355
   56    HD1  TYR   7           HD1      TYR   7  -7.975   8.628  18.986
   57    HD2  TYR   7           HD2      TYR   7  -9.358  10.865  15.641
   58    HE1  TYR   7           HE1      TYR   7 -10.256   8.582  19.905
   59    HE2  TYR   7           HE2      TYR   7 -11.642  10.826  16.552
   60    HH   TYR   7           HH       TYR   7 -12.629  10.568  19.036
   61    H    LYS   8           H        LYS   8  -7.491  12.665  18.343
   62    HA   LYS   8           HA       LYS   8  -6.758  13.633  20.272
   63    HB2  LYS   8           HB2      LYS   8  -5.303  10.990  20.472
   64    HB3  LYS   8           HB3      LYS   8  -5.490  12.129  21.798
   65    HG2  LYS   8           HG2      LYS   8  -7.975  11.895  21.513
   66    HG3  LYS   8           HG3      LYS   8  -7.644  10.571  20.395
   67    HD2  LYS   8           HD2      LYS   8  -6.605  10.660  23.222
   68    HD3  LYS   8           HD3      LYS   8  -8.124   9.884  22.769
   69    HE2  LYS   8           HE2      LYS   8  -6.892   8.427  21.216
   70    HE3  LYS   8           HE3      LYS   8  -5.381   9.185  21.718
   71    HZ1  LYS   8           HZ1      LYS   8  -6.112   8.459  24.058
   72    HZ2  LYS   8           HZ2      LYS   8  -5.479   7.291  23.012
   73    HZ3  LYS   8           HZ3      LYS   8  -7.150   7.394  23.252
   74    H    GLN   9           H        GLN   9  -5.331  14.434  18.007
   75    HA   GLN   9           HA       GLN   9  -3.473  15.612  17.427
   76    HB2  GLN   9           HB2      GLN   9  -2.573  15.379  20.293
   77    HB3  GLN   9           HB3      GLN   9  -2.179  16.641  19.134
   78    HG2  GLN   9           HG2      GLN   9  -4.755  16.171  20.588
   79    HG3  GLN   9           HG3      GLN   9  -3.734  17.608  20.579
   80   HE21  GLN   9          HE21      GLN   9  -6.493  16.230  19.366
   81   HE22  GLN   9          HE22      GLN   9  -6.753  17.275  18.015
   82    H    ARG  10           H        ARG  10  -3.465  12.756  17.211
   83    HA   ARG  10           HA       ARG  10  -0.564  12.283  17.363
   84    HB2  ARG  10           HB2      ARG  10  -1.902  11.011  19.105
   85    HB3  ARG  10           HB3      ARG  10  -2.637  10.129  17.772
   86    HG2  ARG  10           HG2      ARG  10  -0.971   8.678  18.125
   87    HG3  ARG  10           HG3      ARG  10  -0.011   9.828  17.192
   88    HD2  ARG  10           HD2      ARG  10   0.694  10.915  19.272
   89    HD3  ARG  10           HD3      ARG  10  -0.260   9.757  20.197
   90    HE   ARG  10           HE       ARG  10   1.605   8.444  18.499
   91   HH11  ARG  10          HH11      ARG  10   1.327  10.190  21.499
   92   HH12  ARG  10          HH12      ARG  10   2.705   9.425  22.222
   93   HH21  ARG  10          HH21      ARG  10   3.419   7.430  19.439
   94   HH22  ARG  10          HH22      ARG  10   3.894   7.857  21.049
   95    H    CYS  11           H        CYS  11   0.052  12.436  15.295
   96    HA   CYS  11           HA       CYS  11  -1.518  10.977  13.271
   97    HB2  CYS  11           HB2      CYS  11   0.243  13.416  12.984
   98    HB3  CYS  11           HB3      CYS  11  -0.420  12.522  11.620
   99    H    VAL  12           H        VAL  12  -0.580   9.328  12.246
  100    HA   VAL  12           HA       VAL  12   2.331   9.169  12.087
  101    HB   VAL  12           HB       VAL  12   2.214   6.733  12.786
  102   HG11  VAL  12          HG11      VAL  12   1.608   8.795  14.903
  103   HG12  VAL  12          HG12      VAL  12   2.424   7.249  15.147
  104   HG13  VAL  12          HG13      VAL  12   3.190   8.508  14.180
  105   HG21  VAL  12          HG21      VAL  12  -0.291   7.513  14.236
  106   HG22  VAL  12          HG22      VAL  12  -0.353   6.772  12.636
  107   HG23  VAL  12          HG23      VAL  12   0.388   5.904  13.981
  108    H    THR  13           H        THR  13   3.098   7.761  10.461
  109    HA   THR  13           HA       THR  13   1.054   7.060   8.461
  110    HB   THR  13           HB       THR  13   3.796   7.043   7.482
  111    HG1  THR  13           HG1      THR  13   2.868   9.632   8.055
  112   HG21  THR  13          HG21      THR  13   2.814   8.469   5.742
  113   HG22  THR  13          HG22      THR  13   1.335   8.611   6.695
  114   HG23  THR  13          HG23      THR  13   1.818   7.046   6.044
  115    H    TYR  14           H        TYR  14   0.552   4.965   8.687
  116    HA   TYR  14           HA       TYR  14   2.692   3.033   9.217
  117    HB2  TYR  14           HB2      TYR  14  -0.242   3.083   9.693
  118    HB3  TYR  14           HB3      TYR  14   0.486   1.520   9.348
  119    HD1  TYR  14           HD1      TYR  14   2.647   0.970  10.760
  120    HD2  TYR  14           HD2      TYR  14  -0.309   3.815  11.886
  121    HE1  TYR  14           HE1      TYR  14   3.372   0.785  13.103
  122    HE2  TYR  14           HE2      TYR  14   0.408   3.640  14.231
  123    HH   TYR  14           HH       TYR  14   2.953   2.807  15.321
  124    H    CYS  15           H        CYS  15   3.407   1.689   7.695
  125    HA   CYS  15           HA       CYS  15   1.883   1.510   5.179
  126    HB2  CYS  15           HB2      CYS  15   4.874   1.261   5.569
  127    HB3  CYS  15           HB3      CYS  15   4.020   1.167   4.032
  128    H    ARG  16           H        ARG  16   2.206  -0.517   3.954
  129    HA   ARG  16           HA       ARG  16   1.634  -2.766   5.557
  130    HB2  ARG  16           HB2      ARG  16   2.375  -2.531   2.639
  131    HB3  ARG  16           HB3      ARG  16   1.880  -4.038   3.396
  132    HG2  ARG  16           HG2      ARG  16   0.138  -1.615   3.564
  133    HG3  ARG  16           HG3      ARG  16   0.135  -2.632   2.121
  134    HD2  ARG  16           HD2      ARG  16  -1.579  -3.533   3.401
  135    HD3  ARG  16           HD3      ARG  16  -0.212  -4.583   3.769
  136    HE   ARG  16           HE       ARG  16  -0.406  -2.432   5.621
  137   HH11  ARG  16          HH11      ARG  16  -1.776  -5.522   4.790
  138   HH12  ARG  16          HH12      ARG  16  -2.296  -5.872   6.405
  139   HH21  ARG  16          HH21      ARG  16  -1.085  -2.882   7.752
  140   HH22  ARG  16          HH22      ARG  16  -1.903  -4.369   8.088
  141    H    GLY  17           H        GLY  17   2.841  -4.570   6.089
  142    HA2  GLY  17           HA2      GLY  17   5.290  -5.388   5.220
  143    HA3  GLY  17           HA3      GLY  17   5.670  -4.121   6.376
  144    H    ARG  18           H        ARG  18   4.385  -4.374   8.517
  145    HA   ARG  18           HA       ARG  18   4.488  -7.216   9.295
  146    HB2  ARG  18           HB2      ARG  18   5.155  -6.406  11.560
  147    HB3  ARG  18           HB3      ARG  18   6.340  -6.064  10.305
  148    HG2  ARG  18           HG2      ARG  18   5.393  -3.756  10.156
  149    HG3  ARG  18           HG3      ARG  18   4.407  -4.137  11.569
  150    HD2  ARG  18           HD2      ARG  18   7.407  -4.007  11.378
  151    HD3  ARG  18           HD3      ARG  18   6.339  -3.004  12.358
  152    HE   ARG  18           HE       ARG  18   5.871  -5.512  13.274
  153   HH11  ARG  18          HH11      ARG  18   8.751  -3.610  12.812
  154   HH12  ARG  18          HH12      ARG  18   9.610  -4.356  14.119
  155   HH21  ARG  18          HH21      ARG  18   6.993  -6.503  14.996
  156   HH22  ARG  18          HH22      ARG  18   8.609  -6.002  15.359
  157    HN1  NH2  19           H1       NH2  19   2.875  -4.117   9.713
  158    HN2  NH2  19           H2       NH2  19   1.445  -4.682  10.454
  Start of MODEL   10
    1    H    PCA   1           H        PCA   1   1.265  -0.312  -0.351
    2    HA   PCA   1           HA       PCA   1   1.190   1.932  -0.362
    3    HB2  PCA   1           HB2      PCA   1  -1.439   2.687   0.161
    4    HB3  PCA   1           HB3      PCA   1  -0.970   2.078  -1.436
    5    HG2  PCA   1           HG2      PCA   1  -2.148   0.491   0.908
    6    HG3  PCA   1           HG3      PCA   1  -2.610   0.420  -0.807
    7    H    CYS   2           H        CYS   2   0.182   3.644   1.218
    8    HA   CYS   2           HA       CYS   2   0.670   2.647   3.949
    9    HB2  CYS   2           HB2      CYS   2   1.302   5.372   2.793
   10    HB3  CYS   2           HB3      CYS   2   1.580   4.882   4.461
   11    H    ARG   3           H        ARG   3  -0.260   4.155   5.658
   12    HA   ARG   3           HA       ARG   3  -2.762   5.420   4.829
   13    HB2  ARG   3           HB2      ARG   3  -3.967   4.252   6.694
   14    HB3  ARG   3           HB3      ARG   3  -3.502   3.209   5.356
   15    HG2  ARG   3           HG2      ARG   3  -1.873   2.129   6.589
   16    HG3  ARG   3           HG3      ARG   3  -1.729   3.453   7.747
   17    HD2  ARG   3           HD2      ARG   3  -2.909   1.962   9.011
   18    HD3  ARG   3           HD3      ARG   3  -4.243   2.827   8.247
   19    HE   ARG   3           HE       ARG   3  -3.720   0.757   6.552
   20   HH11  ARG   3          HH11      ARG   3  -4.470   1.024   9.941
   21   HH12  ARG   3          HH12      ARG   3  -5.267  -0.512  10.019
   22   HH21  ARG   3          HH21      ARG   3  -4.768  -1.267   6.641
   23   HH22  ARG   3          HH22      ARG   3  -5.435  -1.814   8.143
   24    H    ARG   4           H        ARG   4  -3.360   7.137   6.074
   25    HA   ARG   4           HA       ARG   4  -1.572   7.800   8.319
   26    HB2  ARG   4           HB2      ARG   4  -1.623   9.254   6.172
   27    HB3  ARG   4           HB3      ARG   4  -3.166   9.832   6.786
   28    HG2  ARG   4           HG2      ARG   4  -2.195  10.860   8.627
   29    HG3  ARG   4           HG3      ARG   4  -0.717   9.905   8.498
   30    HD2  ARG   4           HD2      ARG   4  -0.369  11.076   6.254
   31    HD3  ARG   4           HD3      ARG   4  -1.623  12.199   6.783
   32    HE   ARG   4           HE       ARG   4   0.494  11.862   8.693
   33   HH11  ARG   4          HH11      ARG   4  -0.544  13.586   5.853
   34   HH12  ARG   4          HH12      ARG   4   0.479  14.953   6.149
   35   HH21  ARG   4          HH21      ARG   4   1.845  13.657   9.095
   36   HH22  ARG   4          HH22      ARG   4   1.837  14.992   7.993
   37    H    LEU   5           H        LEU   5  -2.446   7.962  10.276
   38    HA   LEU   5           HA       LEU   5  -5.353   8.388  10.486
   39    HB2  LEU   5           HB2      LEU   5  -3.714   6.670  12.337
   40    HB3  LEU   5           HB3      LEU   5  -5.467   6.859  12.321
   41    HG   LEU   5           HG       LEU   5  -4.137   5.749   9.896
   42   HD11  LEU   5          HD11      LEU   5  -3.291   3.977  10.916
   43   HD12  LEU   5          HD12      LEU   5  -4.884   3.590  11.565
   44   HD13  LEU   5          HD13      LEU   5  -3.784   4.621  12.482
   45   HD21  LEU   5          HD21      LEU   5  -6.294   4.301  10.167
   46   HD22  LEU   5          HD22      LEU   5  -6.406   5.956   9.566
   47   HD23  LEU   5          HD23      LEU   5  -6.792   5.601  11.250
   48    H    CYS   6           H        CYS   6  -5.866  10.152  11.585
   49    HA   CYS   6           HA       CYS   6  -3.938  11.189  13.558
   50    HB2  CYS   6           HB2      CYS   6  -5.734  12.629  11.616
   51    HB3  CYS   6           HB3      CYS   6  -5.083  13.435  13.039
   52    H    TYR   7           H        TYR   7  -4.624  11.376  15.590
   53    HA   TYR   7           HA       TYR   7  -7.322  12.004  16.280
   54    HB2  TYR   7           HB2      TYR   7  -7.146   9.419  15.711
   55    HB3  TYR   7           HB3      TYR   7  -6.511   9.338  17.351
   56    HD1  TYR   7           HD1      TYR   7  -8.018   8.954  19.052
   57    HD2  TYR   7           HD2      TYR   7  -9.380  10.879  15.509
   58    HE1  TYR   7           HE1      TYR   7 -10.311   8.960  19.943
   59    HE2  TYR   7           HE2      TYR   7 -11.677  10.890  16.392
   60    HH   TYR   7           HH       TYR   7 -12.451   9.399  19.516
   61    H    LYS   8           H        LYS   8  -7.457  12.821  18.311
   62    HA   LYS   8           HA       LYS   8  -6.708  13.784  20.237
   63    HB2  LYS   8           HB2      LYS   8  -5.413  11.064  20.427
   64    HB3  LYS   8           HB3      LYS   8  -5.407  12.228  21.744
   65    HG2  LYS   8           HG2      LYS   8  -7.968  12.221  21.472
   66    HG3  LYS   8           HG3      LYS   8  -7.711  10.728  20.568
   67    HD2  LYS   8           HD2      LYS   8  -6.920   9.588  22.419
   68    HD3  LYS   8           HD3      LYS   8  -6.453  11.069  23.257
   69    HE2  LYS   8           HE2      LYS   8  -8.670  11.559  23.852
   70    HE3  LYS   8           HE3      LYS   8  -9.326  10.425  22.673
   71    HZ1  LYS   8           HZ1      LYS   8  -7.691   9.545  24.978
   72    HZ2  LYS   8           HZ2      LYS   8  -8.678   8.602  23.981
   73    HZ3  LYS   8           HZ3      LYS   8  -9.373   9.698  25.068
   74    H    GLN   9           H        GLN   9  -5.245  14.531  17.977
   75    HA   GLN   9           HA       GLN   9  -3.351  15.651  17.401
   76    HB2  GLN   9           HB2      GLN   9  -2.492  15.407  20.281
   77    HB3  GLN   9           HB3      GLN   9  -2.025  16.639  19.116
   78    HG2  GLN   9           HG2      GLN   9  -4.607  17.122  19.086
   79    HG3  GLN   9           HG3      GLN   9  -4.542  16.349  20.668
   80   HE21  GLN   9          HE21      GLN   9  -4.202  19.213  18.995
   81   HE22  GLN   9          HE22      GLN   9  -3.423  20.147  20.222
   82    H    ARG  10           H        ARG  10  -3.422  12.795  17.201
   83    HA   ARG  10           HA       ARG  10  -0.539  12.239  17.372
   84    HB2  ARG  10           HB2      ARG  10  -2.111  11.021  19.067
   85    HB3  ARG  10           HB3      ARG  10  -2.552  10.040  17.674
   86    HG2  ARG  10           HG2      ARG  10  -0.163   9.477  17.367
   87    HG3  ARG  10           HG3      ARG  10   0.201  10.372  18.844
   88    HD2  ARG  10           HD2      ARG  10  -0.006   7.917  19.180
   89    HD3  ARG  10           HD3      ARG  10  -1.126   8.867  20.156
   90    HE   ARG  10           HE       ARG  10  -2.250   7.992  17.667
   91   HH11  ARG  10          HH11      ARG  10  -1.609   7.110  20.973
   92   HH12  ARG  10          HH12      ARG  10  -2.889   5.944  21.047
   93   HH21  ARG  10          HH21      ARG  10  -3.938   6.458  17.752
   94   HH22  ARG  10          HH22      ARG  10  -4.212   5.573  19.214
   95    H    CYS  11           H        CYS  11   0.047  12.431  15.287
   96    HA   CYS  11           HA       CYS  11  -1.535  10.976  13.273
   97    HB2  CYS  11           HB2      CYS  11   0.263  13.387  12.993
   98    HB3  CYS  11           HB3      CYS  11  -0.384  12.495  11.620
   99    H    VAL  12           H        VAL  12  -0.630   9.305  12.253
  100    HA   VAL  12           HA       VAL  12   2.277   9.087  12.096
  101    HB   VAL  12           HB       VAL  12   2.128   6.666  12.812
  102   HG11  VAL  12          HG11      VAL  12   1.566   8.822  14.841
  103   HG12  VAL  12          HG12      VAL  12   2.179   7.214  15.225
  104   HG13  VAL  12          HG13      VAL  12   3.145   8.316  14.244
  105   HG21  VAL  12          HG21      VAL  12  -0.253   6.337  12.646
  106   HG22  VAL  12          HG22      VAL  12   0.247   6.093  14.320
  107   HG23  VAL  12          HG23      VAL  12  -0.547   7.595  13.847
  108    H    THR  13           H        THR  13   3.017   7.677  10.465
  109    HA   THR  13           HA       THR  13   0.949   6.952   8.496
  110    HB   THR  13           HB       THR  13   3.667   7.029   7.454
  111    HG1  THR  13           HG1      THR  13   3.942   9.265   7.648
  112   HG21  THR  13          HG21      THR  13   1.649   6.963   6.066
  113   HG22  THR  13          HG22      THR  13   2.600   8.412   5.735
  114   HG23  THR  13          HG23      THR  13   1.143   8.520   6.722
  115    H    TYR  14           H        TYR  14   0.521   4.842   8.718
  116    HA   TYR  14           HA       TYR  14   2.727   2.978   9.209
  117    HB2  TYR  14           HB2      TYR  14  -0.210   2.917   9.690
  118    HB3  TYR  14           HB3      TYR  14   0.589   1.384   9.358
  119    HD1  TYR  14           HD1      TYR  14   1.392   0.189  11.159
  120    HD2  TYR  14           HD2      TYR  14   1.060   4.417  11.495
  121    HE1  TYR  14           HE1      TYR  14   2.114   0.052  13.506
  122    HE2  TYR  14           HE2      TYR  14   1.782   4.293  13.844
  123    HH   TYR  14           HH       TYR  14   2.432   2.976  15.503
  124    H    CYS  15           H        CYS  15   3.529   1.777   7.623
  125    HA   CYS  15           HA       CYS  15   1.951   1.487   5.152
  126    HB2  CYS  15           HB2      CYS  15   4.962   1.432   5.433
  127    HB3  CYS  15           HB3      CYS  15   4.047   1.365   3.930
  128    H    ARG  16           H        ARG  16   2.697  -0.485   3.838
  129    HA   ARG  16           HA       ARG  16   2.022  -2.806   5.181
  130    HB2  ARG  16           HB2      ARG  16   2.817  -4.017   3.224
  131    HB3  ARG  16           HB3      ARG  16   1.961  -2.562   2.732
  132    HG2  ARG  16           HG2      ARG  16   4.340  -1.510   2.677
  133    HG3  ARG  16           HG3      ARG  16   4.870  -3.190   2.577
  134    HD2  ARG  16           HD2      ARG  16   3.136  -3.384   0.676
  135    HD3  ARG  16           HD3      ARG  16   3.187  -1.622   0.657
  136    HE   ARG  16           HE       ARG  16   5.166  -3.406  -0.363
  137   HH11  ARG  16          HH11      ARG  16   4.684  -0.278   1.087
  138   HH12  ARG  16          HH12      ARG  16   6.116   0.409   0.392
  139   HH21  ARG  16          HH21      ARG  16   7.051  -2.513  -1.285
  140   HH22  ARG  16          HH22      ARG  16   7.461  -0.863  -0.958
  141    H    GLY  17           H        GLY  17   3.109  -4.388   6.250
  142    HA2  GLY  17           HA2      GLY  17   5.927  -3.816   6.875
  143    HA3  GLY  17           HA3      GLY  17   4.832  -4.757   7.876
  144    H    ARG  18           H        ARG  18   3.894  -6.731   6.553
  145    HA   ARG  18           HA       ARG  18   6.213  -8.072   5.327
  146    HB2  ARG  18           HB2      ARG  18   5.197 -10.193   6.141
  147    HB3  ARG  18           HB3      ARG  18   5.662  -9.099   7.435
  148    HG2  ARG  18           HG2      ARG  18   3.469  -8.588   7.972
  149    HG3  ARG  18           HG3      ARG  18   2.862  -9.103   6.396
  150    HD2  ARG  18           HD2      ARG  18   3.577 -11.444   7.038
  151    HD3  ARG  18           HD3      ARG  18   3.822 -10.823   8.670
  152    HE   ARG  18           HE       ARG  18   1.281 -10.073   8.051
  153   HH11  ARG  18          HH11      ARG  18   2.996 -13.103   8.053
  154   HH12  ARG  18          HH12      ARG  18   1.589 -14.048   8.410
  155   HH21  ARG  18          HH21      ARG  18  -0.579 -11.307   8.521
  156   HH22  ARG  18          HH22      ARG  18  -0.444 -13.027   8.674
  157    HN1  NH2  19           H1       NH2  19   4.959  -6.698   3.514
  158    HN2  NH2  19           H2       NH2  19   3.903  -7.604   2.526
  Start of MODEL   11
    1    H    PCA   1           H        PCA   1   1.339  -0.072  -0.520
    2    HA   PCA   1           HA       PCA   1   0.903   2.131  -0.430
    3    HB2  PCA   1           HB2      PCA   1  -1.796   2.427   0.193
    4    HB3  PCA   1           HB3      PCA   1  -1.286   1.967  -1.440
    5    HG2  PCA   1           HG2      PCA   1  -2.117   0.118   0.863
    6    HG3  PCA   1           HG3      PCA   1  -2.618   0.041  -0.843
    7    H    CYS   2           H        CYS   2   0.073   3.670   1.208
    8    HA   CYS   2           HA       CYS   2   0.534   2.585   3.910
    9    HB2  CYS   2           HB2      CYS   2   1.213   5.340   2.861
   10    HB3  CYS   2           HB3      CYS   2   1.532   4.748   4.487
   11    H    ARG   3           H        ARG   3  -0.408   3.942   5.677
   12    HA   ARG   3           HA       ARG   3  -2.863   5.333   4.887
   13    HB2  ARG   3           HB2      ARG   3  -4.079   4.137   6.731
   14    HB3  ARG   3           HB3      ARG   3  -3.649   3.127   5.357
   15    HG2  ARG   3           HG2      ARG   3  -1.928   2.058   6.547
   16    HG3  ARG   3           HG3      ARG   3  -1.950   3.274   7.825
   17    HD2  ARG   3           HD2      ARG   3  -3.984   2.479   8.691
   18    HD3  ARG   3           HD3      ARG   3  -4.336   1.550   7.235
   19    HE   ARG   3           HE       ARG   3  -1.998   0.510   8.274
   20   HH11  ARG   3          HH11      ARG   3  -5.302   0.893   9.300
   21   HH12  ARG   3          HH12      ARG   3  -5.290  -0.516  10.308
   22   HH21  ARG   3          HH21      ARG   3  -1.969  -1.347   9.598
   23   HH22  ARG   3          HH22      ARG   3  -3.392  -1.788  10.477
   24    H    ARG   4           H        ARG   4  -3.284   7.112   6.063
   25    HA   ARG   4           HA       ARG   4  -1.574   7.610   8.408
   26    HB2  ARG   4           HB2      ARG   4  -1.095   9.143   6.592
   27    HB3  ARG   4           HB3      ARG   4  -2.798   9.558   6.448
   28    HG2  ARG   4           HG2      ARG   4  -2.785  10.847   8.356
   29    HG3  ARG   4           HG3      ARG   4  -1.385  10.015   9.034
   30    HD2  ARG   4           HD2      ARG   4  -0.076  11.620   8.240
   31    HD3  ARG   4           HD3      ARG   4  -0.552  11.173   6.603
   32    HE   ARG   4           HE       ARG   4  -1.462  13.444   8.118
   33   HH11  ARG   4          HH11      ARG   4  -2.172  11.269   5.495
   34   HH12  ARG   4          HH12      ARG   4  -3.224  12.381   4.685
   35   HH21  ARG   4          HH21      ARG   4  -2.845  14.918   7.059
   36   HH22  ARG   4          HH22      ARG   4  -3.605  14.457   5.575
   37    H    LEU   5           H        LEU   5  -2.505   7.984  10.324
   38    HA   LEU   5           HA       LEU   5  -5.387   8.580  10.388
   39    HB2  LEU   5           HB2      LEU   5  -4.043   6.833  12.423
   40    HB3  LEU   5           HB3      LEU   5  -5.767   7.042  12.120
   41    HG   LEU   5           HG       LEU   5  -5.112   5.971   9.785
   42   HD11  LEU   5          HD11      LEU   5  -3.435   4.053  10.735
   43   HD12  LEU   5          HD12      LEU   5  -2.784   5.503  11.498
   44   HD13  LEU   5          HD13      LEU   5  -2.940   5.426   9.744
   45   HD21  LEU   5          HD21      LEU   5  -6.437   4.364  10.553
   46   HD22  LEU   5          HD22      LEU   5  -6.317   5.100  12.151
   47   HD23  LEU   5          HD23      LEU   5  -5.203   3.814  11.686
   48    H    CYS   6           H        CYS   6  -5.926  10.275  11.601
   49    HA   CYS   6           HA       CYS   6  -3.959  11.258  13.566
   50    HB2  CYS   6           HB2      CYS   6  -5.693  12.776  11.625
   51    HB3  CYS   6           HB3      CYS   6  -5.004  13.546  13.051
   52    H    TYR   7           H        TYR   7  -4.657  11.458  15.591
   53    HA   TYR   7           HA       TYR   7  -7.336  12.182  16.261
   54    HB2  TYR   7           HB2      TYR   7  -7.344   9.637  15.662
   55    HB3  TYR   7           HB3      TYR   7  -6.587   9.446  17.238
   56    HD1  TYR   7           HD1      TYR   7  -8.127   8.621  18.744
   57    HD2  TYR   7           HD2      TYR   7  -9.358  11.630  16.001
   58    HE1  TYR   7           HE1      TYR   7 -10.339   8.687  19.818
   59    HE2  TYR   7           HE2      TYR   7 -11.573  11.705  17.067
   60    HH   TYR   7           HH       TYR   7 -12.236  10.536  20.014
   61    H    LYS   8           H        LYS   8  -7.466  12.977  18.305
   62    HA   LYS   8           HA       LYS   8  -6.704  13.893  20.246
   63    HB2  LYS   8           HB2      LYS   8  -5.401  11.171  20.454
   64    HB3  LYS   8           HB3      LYS   8  -5.551  12.313  21.784
   65    HG2  LYS   8           HG2      LYS   8  -8.095  12.205  21.209
   66    HG3  LYS   8           HG3      LYS   8  -7.651  10.680  20.442
   67    HD2  LYS   8           HD2      LYS   8  -6.662  11.202  23.197
   68    HD3  LYS   8           HD3      LYS   8  -8.370  10.809  22.990
   69    HE2  LYS   8           HE2      LYS   8  -7.728   8.769  21.771
   70    HE3  LYS   8           HE3      LYS   8  -6.030   9.158  22.039
   71    HZ1  LYS   8           HZ1      LYS   8  -7.206   9.254  24.524
   72    HZ2  LYS   8           HZ2      LYS   8  -6.196   8.035  23.929
   73    HZ3  LYS   8           HZ3      LYS   8  -7.875   7.886  23.786
   74    H    GLN   9           H        GLN   9  -5.195  14.600  17.992
   75    HA   GLN   9           HA       GLN   9  -3.265  15.665  17.439
   76    HB2  GLN   9           HB2      GLN   9  -2.436  15.400  20.326
   77    HB3  GLN   9           HB3      GLN   9  -1.938  16.624  19.166
   78    HG2  GLN   9           HG2      GLN   9  -4.387  17.320  19.103
   79    HG3  GLN   9           HG3      GLN   9  -4.581  16.324  20.545
   80   HE21  GLN   9          HE21      GLN   9  -4.916  17.826  22.068
   81   HE22  GLN   9          HE22      GLN   9  -3.810  19.094  22.464
   82    H    ARG  10           H        ARG  10  -3.414  12.813  17.237
   83    HA   ARG  10           HA       ARG  10  -0.549  12.176  17.443
   84    HB2  ARG  10           HB2      ARG  10  -1.922  10.986  19.179
   85    HB3  ARG  10           HB3      ARG  10  -2.780  10.187  17.870
   86    HG2  ARG  10           HG2      ARG  10  -0.594   9.270  17.094
   87    HG3  ARG  10           HG3      ARG  10   0.137   9.940  18.554
   88    HD2  ARG  10           HD2      ARG  10  -1.039   8.494  19.952
   89    HD3  ARG  10           HD3      ARG  10  -2.249   8.137  18.720
   90    HE   ARG  10           HE       ARG  10   0.052   7.168  17.657
   91   HH11  ARG  10          HH11      ARG  10  -1.588   6.709  20.694
   92   HH12  ARG  10          HH12      ARG  10  -1.014   5.089  20.909
   93   HH21  ARG  10          HH21      ARG  10   0.815   5.035  17.929
   94   HH22  ARG  10          HH22      ARG  10   0.353   4.139  19.335
   95    H    CYS  11           H        CYS  11   0.045  12.382  15.357
   96    HA   CYS  11           HA       CYS  11  -1.538  10.941  13.332
   97    HB2  CYS  11           HB2      CYS  11   0.314  13.311  13.029
   98    HB3  CYS  11           HB3      CYS  11  -0.421  12.451  11.680
   99    H    VAL  12           H        VAL  12  -0.635   9.279  12.290
  100    HA   VAL  12           HA       VAL  12   2.271   9.029  12.176
  101    HB   VAL  12           HB       VAL  12   2.083   6.600  12.854
  102   HG11  VAL  12          HG11      VAL  12   2.733   8.728  14.299
  103   HG12  VAL  12          HG12      VAL  12   1.310   8.226  15.215
  104   HG13  VAL  12          HG13      VAL  12   2.660   7.111  14.998
  105   HG21  VAL  12          HG21      VAL  12  -0.514   7.472  14.105
  106   HG22  VAL  12          HG22      VAL  12  -0.416   6.544  12.607
  107   HG23  VAL  12          HG23      VAL  12   0.201   5.860  14.111
  108    H    THR  13           H        THR  13   3.022   7.621  10.544
  109    HA   THR  13           HA       THR  13   0.969   6.911   8.549
  110    HB   THR  13           HB       THR  13   3.684   7.090   7.505
  111    HG1  THR  13           HG1      THR  13   4.031   9.227   7.856
  112   HG21  THR  13          HG21      THR  13   1.108   8.503   6.796
  113   HG22  THR  13          HG22      THR  13   1.672   6.975   6.115
  114   HG23  THR  13          HG23      THR  13   2.569   8.462   5.808
  115    H    TYR  14           H        TYR  14   0.609   4.786   8.680
  116    HA   TYR  14           HA       TYR  14   2.888   2.983   9.108
  117    HB2  TYR  14           HB2      TYR  14  -0.028   2.817   9.705
  118    HB3  TYR  14           HB3      TYR  14   0.822   1.318   9.346
  119    HD1  TYR  14           HD1      TYR  14   2.896   0.769  10.740
  120    HD2  TYR  14           HD2      TYR  14   0.083   3.765  11.842
  121    HE1  TYR  14           HE1      TYR  14   3.708   0.670  13.059
  122    HE2  TYR  14           HE2      TYR  14   0.887   3.675  14.164
  123    HH   TYR  14           HH       TYR  14   2.696   1.220  15.388
  124    H    CYS  15           H        CYS  15   3.610   1.729   7.517
  125    HA   CYS  15           HA       CYS  15   1.960   1.477   5.089
  126    HB2  CYS  15           HB2      CYS  15   4.978   1.452   5.295
  127    HB3  CYS  15           HB3      CYS  15   4.039   1.328   3.810
  128    H    ARG  16           H        ARG  16   1.669  -0.511   4.190
  129    HA   ARG  16           HA       ARG  16   1.984  -2.788   5.834
  130    HB2  ARG  16           HB2      ARG  16   1.449  -2.779   2.863
  131    HB3  ARG  16           HB3      ARG  16   1.037  -4.039   4.017
  132    HG2  ARG  16           HG2      ARG  16  -0.355  -2.122   5.140
  133    HG3  ARG  16           HG3      ARG  16  -0.273  -1.415   3.525
  134    HD2  ARG  16           HD2      ARG  16  -1.229  -3.448   2.576
  135    HD3  ARG  16           HD3      ARG  16  -1.280  -4.182   4.177
  136    HE   ARG  16           HE       ARG  16  -2.699  -1.769   4.256
  137   HH11  ARG  16          HH11      ARG  16  -2.920  -4.945   2.844
  138   HH12  ARG  16          HH12      ARG  16  -4.651  -4.946   2.800
  139   HH21  ARG  16          HH21      ARG  16  -4.979  -1.760   4.202
  140   HH22  ARG  16          HH22      ARG  16  -5.823  -3.135   3.572
  141    H    GLY  17           H        GLY  17   3.304  -4.618   5.580
  142    HA2  GLY  17           HA2      GLY  17   5.973  -4.034   4.721
  143    HA3  GLY  17           HA3      GLY  17   5.398  -5.563   5.369
  144    H    ARG  18           H        ARG  18   7.170  -4.962   3.072
  145    HA   ARG  18           HA       ARG  18   5.584  -5.857   0.793
  146    HB2  ARG  18           HB2      ARG  18   8.483  -5.034   1.022
  147    HB3  ARG  18           HB3      ARG  18   7.712  -5.542  -0.474
  148    HG2  ARG  18           HG2      ARG  18   6.013  -3.618   0.193
  149    HG3  ARG  18           HG3      ARG  18   7.437  -3.015   1.043
  150    HD2  ARG  18           HD2      ARG  18   8.395  -3.780  -1.445
  151    HD3  ARG  18           HD3      ARG  18   6.837  -3.035  -1.792
  152    HE   ARG  18           HE       ARG  18   7.773  -1.015  -1.318
  153   HH11  ARG  18          HH11      ARG  18   9.669  -3.498   0.217
  154   HH12  ARG  18          HH12      ARG  18  10.883  -2.401   0.788
  155   HH21  ARG  18          HH21      ARG  18   9.364   0.440  -0.572
  156   HH22  ARG  18          HH22      ARG  18  10.708  -0.161   0.340
  157    HN1  NH2  19           H1       NH2  19   5.111  -7.988   1.204
  158    HN2  NH2  19           H2       NH2  19   6.255  -9.253   1.301
  Start of MODEL   12
    1    H    PCA   1           H        PCA   1   1.847   0.311  -0.433
    2    HA   PCA   1           HA       PCA   1   1.104   2.431  -0.399
    3    HB2  PCA   1           HB2      PCA   1  -1.509   2.389   0.564
    4    HB3  PCA   1           HB3      PCA   1  -1.146   1.889  -1.096
    5    HG2  PCA   1           HG2      PCA   1  -1.398   0.110   1.388
    6    HG3  PCA   1           HG3      PCA   1  -2.091  -0.156  -0.229
    7    H    CYS   2           H        CYS   2  -0.179   3.779   1.376
    8    HA   CYS   2           HA       CYS   2   0.752   2.977   4.041
    9    HB2  CYS   2           HB2      CYS   2   1.320   5.622   2.689
   10    HB3  CYS   2           HB3      CYS   2   1.578   5.314   4.404
   11    H    ARG   3           H        ARG   3  -0.445   3.774   5.758
   12    HA   ARG   3           HA       ARG   3  -2.913   5.205   5.021
   13    HB2  ARG   3           HB2      ARG   3  -2.442   2.841   6.765
   14    HB3  ARG   3           HB3      ARG   3  -3.677   3.986   7.268
   15    HG2  ARG   3           HG2      ARG   3  -3.720   3.021   4.459
   16    HG3  ARG   3           HG3      ARG   3  -4.245   1.922   5.738
   17    HD2  ARG   3           HD2      ARG   3  -6.181   3.054   4.964
   18    HD3  ARG   3           HD3      ARG   3  -5.777   3.745   6.533
   19    HE   ARG   3           HE       ARG   3  -5.377   5.755   5.508
   20   HH11  ARG   3          HH11      ARG   3  -5.507   3.242   3.102
   21   HH12  ARG   3          HH12      ARG   3  -5.473   4.343   1.763
   22   HH21  ARG   3          HH21      ARG   3  -5.331   7.213   3.754
   23   HH22  ARG   3          HH22      ARG   3  -5.372   6.601   2.136
   24    H    ARG   4           H        ARG   4  -3.385   7.027   6.096
   25    HA   ARG   4           HA       ARG   4  -1.616   7.778   8.326
   26    HB2  ARG   4           HB2      ARG   4  -1.434   9.236   6.367
   27    HB3  ARG   4           HB3      ARG   4  -3.166   9.535   6.416
   28    HG2  ARG   4           HG2      ARG   4  -2.837  10.525   8.695
   29    HG3  ARG   4           HG3      ARG   4  -1.097  10.404   8.416
   30    HD2  ARG   4           HD2      ARG   4  -1.527  11.718   6.271
   31    HD3  ARG   4           HD3      ARG   4  -3.120  12.065   6.942
   32    HE   ARG   4           HE       ARG   4  -2.143  13.597   8.319
   33   HH11  ARG   4          HH11      ARG   4   0.303  11.386   7.200
   34   HH12  ARG   4          HH12      ARG   4   1.610  12.259   7.929
   35   HH21  ARG   4          HH21      ARG   4  -0.430  14.754   9.283
   36   HH22  ARG   4          HH22      ARG   4   1.192  14.173   9.114
   37    H    LEU   5           H        LEU   5  -2.482   7.888  10.284
   38    HA   LEU   5           HA       LEU   5  -5.382   8.348  10.518
   39    HB2  LEU   5           HB2      LEU   5  -3.722   6.666  12.381
   40    HB3  LEU   5           HB3      LEU   5  -5.473   6.854  12.385
   41    HG   LEU   5           HG       LEU   5  -4.193   5.706   9.958
   42   HD11  LEU   5          HD11      LEU   5  -3.780   4.621  12.560
   43   HD12  LEU   5          HD12      LEU   5  -3.283   3.975  10.996
   44   HD13  LEU   5          HD13      LEU   5  -4.864   3.559  11.660
   45   HD21  LEU   5          HD21      LEU   5  -6.618   6.177  10.102
   46   HD22  LEU   5          HD22      LEU   5  -6.730   5.039  11.444
   47   HD23  LEU   5          HD23      LEU   5  -6.257   4.471   9.842
   48    H    CYS   6           H        CYS   6  -5.861  10.160  11.552
   49    HA   CYS   6           HA       CYS   6  -3.926  11.218  13.506
   50    HB2  CYS   6           HB2      CYS   6  -5.722  12.638  11.546
   51    HB3  CYS   6           HB3      CYS   6  -5.030  13.464  12.939
   52    H    TYR   7           H        TYR   7  -4.607  11.400  15.536
   53    HA   TYR   7           HA       TYR   7  -7.298  12.095  16.216
   54    HB2  TYR   7           HB2      TYR   7  -7.146   9.495  15.692
   55    HB3  TYR   7           HB3      TYR   7  -6.529   9.442  17.338
   56    HD1  TYR   7           HD1      TYR   7  -8.058   9.120  19.035
   57    HD2  TYR   7           HD2      TYR   7  -9.362  10.966  15.429
   58    HE1  TYR   7           HE1      TYR   7 -10.358   9.172  19.902
   59    HE2  TYR   7           HE2      TYR   7 -11.666  11.024  16.288
   60    HH   TYR   7           HH       TYR   7 -12.627   9.314  19.093
   61    H    LYS   8           H        LYS   8  -7.416  12.952  18.230
   62    HA   LYS   8           HA       LYS   8  -6.652  13.936  20.140
   63    HB2  LYS   8           HB2      LYS   8  -5.407  11.195  20.377
   64    HB3  LYS   8           HB3      LYS   8  -5.374  12.384  21.673
   65    HG2  LYS   8           HG2      LYS   8  -7.899  12.425  21.519
   66    HG3  LYS   8           HG3      LYS   8  -7.761  11.003  20.483
   67    HD2  LYS   8           HD2      LYS   8  -8.022   9.997  22.525
   68    HD3  LYS   8           HD3      LYS   8  -6.262  10.121  22.461
   69    HE2  LYS   8           HE2      LYS   8  -6.848  10.885  24.602
   70    HE3  LYS   8           HE3      LYS   8  -6.537  12.347  23.666
   71    HZ1  LYS   8           HZ1      LYS   8  -8.988  11.419  24.865
   72    HZ2  LYS   8           HZ2      LYS   8  -9.172  11.953  23.271
   73    HZ3  LYS   8           HZ3      LYS   8  -8.518  12.987  24.438
   74    H    GLN   9           H        GLN   9  -5.178  14.621  17.870
   75    HA   GLN   9           HA       GLN   9  -3.266  15.701  17.277
   76    HB2  GLN   9           HB2      GLN   9  -2.422  15.485  20.165
   77    HB3  GLN   9           HB3      GLN   9  -1.911  16.681  18.981
   78    HG2  GLN   9           HG2      GLN   9  -4.501  17.202  18.928
   79    HG3  GLN   9           HG3      GLN   9  -4.423  16.507  20.546
   80   HE21  GLN   9          HE21      GLN   9  -4.252  19.305  18.845
   81   HE22  GLN   9          HE22      GLN   9  -3.367  20.276  19.967
   82    H    ARG  10           H        ARG  10  -3.386  12.844  17.119
   83    HA   ARG  10           HA       ARG  10  -0.512  12.240  17.297
   84    HB2  ARG  10           HB2      ARG  10  -2.026  11.075  19.033
   85    HB3  ARG  10           HB3      ARG  10  -2.616  10.126  17.676
   86    HG2  ARG  10           HG2      ARG  10  -0.425   9.246  17.262
   87    HG3  ARG  10           HG3      ARG  10   0.280  10.320  18.471
   88    HD2  ARG  10           HD2      ARG  10   0.030   8.079  19.369
   89    HD3  ARG  10           HD3      ARG  10  -1.035   9.202  20.213
   90    HE   ARG  10           HE       ARG  10  -2.438   7.997  18.093
   91   HH11  ARG  10          HH11      ARG  10  -1.092   7.238  21.213
   92   HH12  ARG  10          HH12      ARG  10  -2.234   5.978  21.544
   93   HH21  ARG  10          HH21      ARG  10  -3.947   6.340  18.518
   94   HH22  ARG  10          HH22      ARG  10  -3.856   5.467  20.011
   95    H    CYS  11           H        CYS  11   0.059  12.414  15.202
   96    HA   CYS  11           HA       CYS  11  -1.538  10.936  13.218
   97    HB2  CYS  11           HB2      CYS  11   0.274  13.332  12.887
   98    HB3  CYS  11           HB3      CYS  11  -0.400  12.426  11.536
   99    H    VAL  12           H        VAL  12  -0.644   9.249  12.218
  100    HA   VAL  12           HA       VAL  12   2.262   9.017  12.049
  101    HB   VAL  12           HB       VAL  12   2.097   6.600  12.794
  102   HG11  VAL  12          HG11      VAL  12   1.462   8.584  14.965
  103   HG12  VAL  12          HG12      VAL  12   2.460   7.132  15.075
  104   HG13  VAL  12          HG13      VAL  12   3.020   8.522  14.142
  105   HG21  VAL  12          HG21      VAL  12  -0.509   7.559  13.971
  106   HG22  VAL  12          HG22      VAL  12  -0.348   6.411  12.642
  107   HG23  VAL  12          HG23      VAL  12   0.246   5.989  14.247
  108    H    THR  13           H        THR  13   2.989   7.580  10.437
  109    HA   THR  13           HA       THR  13   0.909   6.834   8.488
  110    HB   THR  13           HB       THR  13   3.618   6.890   7.426
  111    HG1  THR  13           HG1      THR  13   2.528   9.368   8.314
  112   HG21  THR  13          HG21      THR  13   1.089   8.374   6.700
  113   HG22  THR  13          HG22      THR  13   1.602   6.818   6.046
  114   HG23  THR  13          HG23      THR  13   2.541   8.270   5.707
  115    H    TYR  14           H        TYR  14   0.477   4.728   8.752
  116    HA   TYR  14           HA       TYR  14   2.688   2.867   9.244
  117    HB2  TYR  14           HB2      TYR  14  -0.238   2.830   9.779
  118    HB3  TYR  14           HB3      TYR  14   0.537   1.285   9.439
  119    HD1  TYR  14           HD1      TYR  14   2.531   0.610  10.873
  120    HD2  TYR  14           HD2      TYR  14  -0.082   3.806  11.905
  121    HE1  TYR  14           HE1      TYR  14   3.304   0.481  13.205
  122    HE2  TYR  14           HE2      TYR  14   0.684   3.686  14.239
  123    HH   TYR  14           HH       TYR  14   3.347   2.389  15.238
  124    H    CYS  15           H        CYS  15   3.576   1.981   7.510
  125    HA   CYS  15           HA       CYS  15   1.897   1.488   5.145
  126    HB2  CYS  15           HB2      CYS  15   4.916   1.563   5.254
  127    HB3  CYS  15           HB3      CYS  15   3.898   1.569   3.818
  128    H    ARG  16           H        ARG  16   1.675  -0.525   4.320
  129    HA   ARG  16           HA       ARG  16   2.198  -2.756   5.967
  130    HB2  ARG  16           HB2      ARG  16   1.526  -2.743   3.020
  131    HB3  ARG  16           HB3      ARG  16   1.340  -4.097   4.126
  132    HG2  ARG  16           HG2      ARG  16  -0.101  -1.491   4.515
  133    HG3  ARG  16           HG3      ARG  16  -0.754  -2.808   3.537
  134    HD2  ARG  16           HD2      ARG  16  -1.710  -3.291   5.558
  135    HD3  ARG  16           HD3      ARG  16  -0.219  -4.226   5.686
  136    HE   ARG  16           HE       ARG  16   0.424  -1.807   6.752
  137   HH11  ARG  16          HH11      ARG  16  -2.079  -4.149   7.359
  138   HH12  ARG  16          HH12      ARG  16  -2.215  -3.761   9.042
  139   HH21  ARG  16          HH21      ARG  16   0.254  -1.285   8.966
  140   HH22  ARG  16          HH22      ARG  16  -0.889  -2.131   9.955
  141    H    GLY  17           H        GLY  17   3.446  -4.688   5.329
  142    HA2  GLY  17           HA2      GLY  17   5.876  -3.983   3.807
  143    HA3  GLY  17           HA3      GLY  17   5.977  -4.794   5.362
  144    H    ARG  18           H        ARG  18   5.135  -6.959   5.538
  145    HA   ARG  18           HA       ARG  18   5.458  -8.424   3.027
  146    HB2  ARG  18           HB2      ARG  18   5.864 -10.371   4.372
  147    HB3  ARG  18           HB3      ARG  18   6.816  -9.045   5.029
  148    HG2  ARG  18           HG2      ARG  18   5.010  -8.700   6.723
  149    HG3  ARG  18           HG3      ARG  18   4.259 -10.183   6.129
  150    HD2  ARG  18           HD2      ARG  18   5.505 -11.023   7.856
  151    HD3  ARG  18           HD3      ARG  18   6.664 -11.168   6.536
  152    HE   ARG  18           HE       ARG  18   6.910  -8.664   7.858
  153   HH11  ARG  18          HH11      ARG  18   7.684 -12.047   8.149
  154   HH12  ARG  18          HH12      ARG  18   9.068 -11.778   9.155
  155   HH21  ARG  18          HH21      ARG  18   8.731  -8.297   9.182
  156   HH22  ARG  18          HH22      ARG  18   9.662  -9.644   9.742
  157    HN1  NH2  19           H1       NH2  19   4.102 -10.596   3.092
  158    HN2  NH2  19           H2       NH2  19   2.417 -10.416   3.297
  Start of MODEL   13
    1    H    PCA   1           H        PCA   1   0.982  -0.849  -0.055
    2    HA   PCA   1           HA       PCA   1   0.862   1.377  -0.327
    3    HB2  PCA   1           HB2      PCA   1  -1.735   2.162   0.308
    4    HB3  PCA   1           HB3      PCA   1  -1.378   1.371  -1.237
    5    HG2  PCA   1           HG2      PCA   1  -2.341   0.064   1.364
    6    HG3  PCA   1           HG3      PCA   1  -2.932  -0.217  -0.291
    7    H    CYS   2           H        CYS   2  -0.152   3.239   1.134
    8    HA   CYS   2           HA       CYS   2   0.416   2.568   3.944
    9    HB2  CYS   2           HB2      CYS   2   1.358   5.054   2.499
   10    HB3  CYS   2           HB3      CYS   2   1.673   4.644   4.181
   11    H    ARG   3           H        ARG   3  -0.529   3.988   5.514
   12    HA   ARG   3           HA       ARG   3  -2.616   5.792   4.551
   13    HB2  ARG   3           HB2      ARG   3  -4.317   4.787   5.978
   14    HB3  ARG   3           HB3      ARG   3  -3.713   3.609   4.821
   15    HG2  ARG   3           HG2      ARG   3  -2.519   3.741   7.552
   16    HG3  ARG   3           HG3      ARG   3  -4.073   2.939   7.305
   17    HD2  ARG   3           HD2      ARG   3  -2.921   1.639   5.444
   18    HD3  ARG   3           HD3      ARG   3  -1.405   2.259   6.098
   19    HE   ARG   3           HE       ARG   3  -1.591   0.778   7.832
   20   HH11  ARG   3          HH11      ARG   3  -4.672   1.051   6.233
   21   HH12  ARG   3          HH12      ARG   3  -5.397  -0.244   7.125
   22   HH21  ARG   3          HH21      ARG   3  -2.535  -0.931   9.012
   23   HH22  ARG   3          HH22      ARG   3  -4.182  -1.371   8.707
   24    H    ARG   4           H        ARG   4  -3.302   7.335   6.090
   25    HA   ARG   4           HA       ARG   4  -1.530   7.557   8.435
   26    HB2  ARG   4           HB2      ARG   4  -1.096   9.249   6.667
   27    HB3  ARG   4           HB3      ARG   4  -2.752   9.815   6.838
   28    HG2  ARG   4           HG2      ARG   4  -2.179  10.236   9.284
   29    HG3  ARG   4           HG3      ARG   4  -0.496  10.021   8.802
   30    HD2  ARG   4           HD2      ARG   4  -1.044  11.769   6.977
   31    HD3  ARG   4           HD3      ARG   4  -2.441  12.146   7.984
   32    HE   ARG   4           HE       ARG   4  -1.042  13.166   9.485
   33   HH11  ARG   4          HH11      ARG   4   0.842  11.232   7.289
   34   HH12  ARG   4          HH12      ARG   4   2.364  11.838   7.853
   35   HH21  ARG   4          HH21      ARG   4   0.955  13.974  10.237
   36   HH22  ARG   4          HH22      ARG   4   2.426  13.397   9.531
   37    H    LEU   5           H        LEU   5  -2.437   7.877  10.389
   38    HA   LEU   5           HA       LEU   5  -5.341   8.366  10.485
   39    HB2  LEU   5           HB2      LEU   5  -3.915   6.726  12.544
   40    HB3  LEU   5           HB3      LEU   5  -5.636   6.781  12.167
   41    HG   LEU   5           HG       LEU   5  -4.775   5.764   9.867
   42   HD11  LEU   5          HD11      LEU   5  -2.460   5.715  10.240
   43   HD12  LEU   5          HD12      LEU   5  -2.996   4.053  10.486
   44   HD13  LEU   5          HD13      LEU   5  -2.649   5.082  11.876
   45   HD21  LEU   5          HD21      LEU   5  -5.995   4.794  12.215
   46   HD22  LEU   5          HD22      LEU   5  -4.811   3.584  11.718
   47   HD23  LEU   5          HD23      LEU   5  -6.063   4.110  10.591
   48    H    CYS   6           H        CYS   6  -5.890  10.123  11.584
   49    HA   CYS   6           HA       CYS   6  -3.983  11.188  13.564
   50    HB2  CYS   6           HB2      CYS   6  -5.849  12.593  11.659
   51    HB3  CYS   6           HB3      CYS   6  -5.161  13.407  13.060
   52    H    TYR   7           H        TYR   7  -4.652  11.347  15.602
   53    HA   TYR   7           HA       TYR   7  -7.370  11.896  16.308
   54    HB2  TYR   7           HB2      TYR   7  -7.095   9.312  15.770
   55    HB3  TYR   7           HB3      TYR   7  -6.442   9.280  17.405
   56    HD1  TYR   7           HD1      TYR   7  -7.924   8.815  19.105
   57    HD2  TYR   7           HD2      TYR   7  -9.382  10.716  15.589
   58    HE1  TYR   7           HE1      TYR   7 -10.207   8.738  20.018
   59    HE2  TYR   7           HE2      TYR   7 -11.670  10.645  16.493
   60    HH   TYR   7           HH       TYR   7 -12.404  10.195  19.604
   61    H    LYS   8           H        LYS   8  -7.506  12.767  18.310
   62    HA   LYS   8           HA       LYS   8  -6.774  13.789  20.212
   63    HB2  LYS   8           HB2      LYS   8  -5.412  11.106  20.460
   64    HB3  LYS   8           HB3      LYS   8  -5.441  12.298  21.752
   65    HG2  LYS   8           HG2      LYS   8  -7.961  12.222  21.593
   66    HG3  LYS   8           HG3      LYS   8  -7.758  10.810  20.554
   67    HD2  LYS   8           HD2      LYS   8  -8.080   9.935  22.711
   68    HD3  LYS   8           HD3      LYS   8  -6.340   9.836  22.437
   69    HE2  LYS   8           HE2      LYS   8  -5.948  11.774  23.777
   70    HE3  LYS   8           HE3      LYS   8  -7.675  12.117  23.882
   71    HZ1  LYS   8           HZ1      LYS   8  -7.101   9.500  24.820
   72    HZ2  LYS   8           HZ2      LYS   8  -7.856  10.782  25.626
   73    HZ3  LYS   8           HZ3      LYS   8  -6.170  10.643  25.652
   74    H    GLN   9           H        GLN   9  -5.334  14.519  17.934
   75    HA   GLN   9           HA       GLN   9  -3.467  15.669  17.328
   76    HB2  GLN   9           HB2      GLN   9  -2.575  15.504  20.202
   77    HB3  GLN   9           HB3      GLN   9  -2.172  16.734  19.012
   78    HG2  GLN   9           HG2      GLN   9  -4.472  17.523  19.024
   79    HG3  GLN   9           HG3      GLN   9  -4.903  16.271  20.188
   80   HE21  GLN   9          HE21      GLN   9  -4.922  16.862  22.229
   81   HE22  GLN   9          HE22      GLN   9  -4.062  18.194  22.914
   82    H    ARG  10           H        ARG  10  -3.477  12.809  17.186
   83    HA   ARG  10           HA       ARG  10  -0.581  12.321  17.358
   84    HB2  ARG  10           HB2      ARG  10  -2.017  11.106  19.111
   85    HB3  ARG  10           HB3      ARG  10  -2.615  10.141  17.769
   86    HG2  ARG  10           HG2      ARG  10  -0.612   9.075  17.459
   87    HG3  ARG  10           HG3      ARG  10   0.324  10.401  18.155
   88    HD2  ARG  10           HD2      ARG  10  -0.315   9.803  20.364
   89    HD3  ARG  10           HD3      ARG  10  -1.533   8.673  19.773
   90    HE   ARG  10           HE       ARG  10   0.958   7.858  18.804
   91   HH11  ARG  10          HH11      ARG  10  -0.734   8.152  21.833
   92   HH12  ARG  10          HH12      ARG  10   0.123   6.850  22.587
   93   HH21  ARG  10          HH21      ARG  10   2.093   6.141  19.787
   94   HH22  ARG  10          HH22      ARG  10   1.732   5.707  21.423
   95    H    CYS  11           H        CYS  11  -0.036  12.520  15.256
   96    HA   CYS  11           HA       CYS  11  -1.571  10.956  13.289
   97    HB2  CYS  11           HB2      CYS  11   0.163  13.402  12.887
   98    HB3  CYS  11           HB3      CYS  11  -0.592  12.487  11.584
   99    H    VAL  12           H        VAL  12  -0.601   9.309  12.290
  100    HA   VAL  12           HA       VAL  12   2.311   9.219  12.102
  101    HB   VAL  12           HB       VAL  12   2.265   6.799  12.859
  102   HG11  VAL  12          HG11      VAL  12   1.613   8.875  14.946
  103   HG12  VAL  12          HG12      VAL  12   2.500   7.371  15.197
  104   HG13  VAL  12          HG13      VAL  12   3.195   8.648  14.200
  105   HG21  VAL  12          HG21      VAL  12   0.465   6.089  14.307
  106   HG22  VAL  12          HG22      VAL  12  -0.355   7.637  14.097
  107   HG23  VAL  12          HG23      VAL  12  -0.189   6.534  12.731
  108    H    THR  13           H        THR  13   3.096   7.810  10.492
  109    HA   THR  13           HA       THR  13   1.040   6.941   8.568
  110    HB   THR  13           HB       THR  13   3.737   7.164   7.483
  111    HG1  THR  13           HG1      THR  13   4.183   8.993   8.469
  112   HG21  THR  13          HG21      THR  13   1.777   6.930   6.079
  113   HG22  THR  13          HG22      THR  13   2.531   8.496   5.776
  114   HG23  THR  13          HG23      THR  13   1.075   8.395   6.765
  115    H    TYR  14           H        TYR  14   0.755   4.812   8.659
  116    HA   TYR  14           HA       TYR  14   3.120   3.096   9.036
  117    HB2  TYR  14           HB2      TYR  14   0.330   2.918  10.050
  118    HB3  TYR  14           HB3      TYR  14   1.133   1.409   9.632
  119    HD1  TYR  14           HD1      TYR  14   3.561   1.138  10.637
  120    HD2  TYR  14           HD2      TYR  14   0.585   3.753  12.191
  121    HE1  TYR  14           HE1      TYR  14   4.709   1.144  12.811
  122    HE2  TYR  14           HE2      TYR  14   1.726   3.766  14.369
  123    HH   TYR  14           HH       TYR  14   3.275   2.432  15.644
  124    H    CYS  15           H        CYS  15   3.632   1.683   7.482
  125    HA   CYS  15           HA       CYS  15   1.762   1.400   5.227
  126    HB2  CYS  15           HB2      CYS  15   4.763   1.017   5.253
  127    HB3  CYS  15           HB3      CYS  15   3.718   0.922   3.840
  128    H    ARG  16           H        ARG  16   1.899  -0.695   4.049
  129    HA   ARG  16           HA       ARG  16   1.242  -2.837   5.667
  130    HB2  ARG  16           HB2      ARG  16   1.322  -4.205   3.706
  131    HB3  ARG  16           HB3      ARG  16   0.756  -2.613   3.218
  132    HG2  ARG  16           HG2      ARG  16   3.109  -2.096   2.520
  133    HG3  ARG  16           HG3      ARG  16   3.490  -3.795   2.808
  134    HD2  ARG  16           HD2      ARG  16   1.444  -2.720   0.870
  135    HD3  ARG  16           HD3      ARG  16   3.011  -3.415   0.457
  136    HE   ARG  16           HE       ARG  16   1.609  -5.312   1.937
  137   HH11  ARG  16          HH11      ARG  16   1.369  -3.681  -1.130
  138   HH12  ARG  16          HH12      ARG  16   0.545  -4.991  -1.909
  139   HH21  ARG  16          HH21      ARG  16   0.524  -7.043   0.922
  140   HH22  ARG  16          HH22      ARG  16   0.065  -6.902  -0.741
  141    H    GLY  17           H        GLY  17   2.317  -4.604   6.482
  142    HA2  GLY  17           HA2      GLY  17   4.099  -5.954   7.077
  143    HA3  GLY  17           HA3      GLY  17   5.086  -5.105   5.897
  144    H    ARG  18           H        ARG  18   6.672  -5.416   7.711
  145    HA   ARG  18           HA       ARG  18   6.366  -3.375   9.802
  146    HB2  ARG  18           HB2      ARG  18   8.060  -5.852   9.589
  147    HB3  ARG  18           HB3      ARG  18   8.427  -4.593  10.761
  148    HG2  ARG  18           HG2      ARG  18   5.927  -4.887  11.439
  149    HG3  ARG  18           HG3      ARG  18   6.103  -6.452  10.643
  150    HD2  ARG  18           HD2      ARG  18   7.983  -5.461  12.774
  151    HD3  ARG  18           HD3      ARG  18   6.546  -6.421  13.127
  152    HE   ARG  18           HE       ARG  18   7.904  -7.863  11.241
  153   HH11  ARG  18          HH11      ARG  18   8.650  -6.572  14.387
  154   HH12  ARG  18          HH12      ARG  18   9.782  -7.825  14.776
  155   HH21  ARG  18          HH21      ARG  18   9.393  -9.518  11.741
  156   HH22  ARG  18          HH22      ARG  18  10.204  -9.499  13.271
  157    HN1  NH2  19           H1       NH2  19   6.812  -1.817   7.979
  158    HN2  NH2  19           H2       NH2  19   8.430  -1.393   7.631
  Start of MODEL   14
    1    H    PCA   1           H        PCA   1   1.701   0.375  -0.549
    2    HA   PCA   1           HA       PCA   1   1.181   2.554  -0.391
    3    HB2  PCA   1           HB2      PCA   1  -1.481   2.727   0.414
    4    HB3  PCA   1           HB3      PCA   1  -1.062   2.314  -1.257
    5    HG2  PCA   1           HG2      PCA   1  -1.660   0.397   1.058
    6    HG3  PCA   1           HG3      PCA   1  -2.269   0.324  -0.610
    7    H    CYS   2           H        CYS   2  -0.087   3.893   1.412
    8    HA   CYS   2           HA       CYS   2   0.679   2.821   4.042
    9    HB2  CYS   2           HB2      CYS   2   1.274   5.605   3.016
   10    HB3  CYS   2           HB3      CYS   2   1.589   5.032   4.649
   11    H    ARG   3           H        ARG   3  -0.406   3.796   5.848
   12    HA   ARG   3           HA       ARG   3  -2.924   5.140   5.115
   13    HB2  ARG   3           HB2      ARG   3  -2.418   2.841   6.965
   14    HB3  ARG   3           HB3      ARG   3  -3.756   3.934   7.289
   15    HG2  ARG   3           HG2      ARG   3  -3.505   2.813   4.553
   16    HG3  ARG   3           HG3      ARG   3  -4.056   1.748   5.847
   17    HD2  ARG   3           HD2      ARG   3  -5.624   3.822   6.370
   18    HD3  ARG   3           HD3      ARG   3  -5.363   4.133   4.655
   19    HE   ARG   3           HE       ARG   3  -6.975   2.073   5.801
   20   HH11  ARG   3          HH11      ARG   3  -5.002   2.907   3.057
   21   HH12  ARG   3          HH12      ARG   3  -5.815   1.823   1.977
   22   HH21  ARG   3          HH21      ARG   3  -8.053   0.641   4.391
   23   HH22  ARG   3          HH22      ARG   3  -7.551   0.535   2.737
   24    H    ARG   4           H        ARG   4  -3.309   7.011   6.113
   25    HA   ARG   4           HA       ARG   4  -1.634   7.708   8.433
   26    HB2  ARG   4           HB2      ARG   4  -1.376   9.048   6.290
   27    HB3  ARG   4           HB3      ARG   4  -3.003   9.651   6.573
   28    HG2  ARG   4           HG2      ARG   4  -1.817  11.324   7.542
   29    HG3  ARG   4           HG3      ARG   4  -1.980  10.253   8.935
   30    HD2  ARG   4           HD2      ARG   4   0.220   9.369   8.592
   31    HD3  ARG   4           HD3      ARG   4   0.377  10.227   7.060
   32    HE   ARG   4           HE       ARG   4   0.807  11.290   9.689
   33   HH11  ARG   4          HH11      ARG   4  -0.070  12.070   6.411
   34   HH12  ARG   4          HH12      ARG   4   0.446  13.720   6.528
   35   HH21  ARG   4          HH21      ARG   4   1.490  13.459   9.854
   36   HH22  ARG   4          HH22      ARG   4   1.334  14.509   8.486
   37    H    LEU   5           H        LEU   5  -2.637   7.885  10.317
   38    HA   LEU   5           HA       LEU   5  -5.487   8.620  10.340
   39    HB2  LEU   5           HB2      LEU   5  -4.283   6.788  12.381
   40    HB3  LEU   5           HB3      LEU   5  -5.982   7.034  11.979
   41    HG   LEU   5           HG       LEU   5  -5.204   5.998   9.666
   42   HD11  LEU   5          HD11      LEU   5  -3.500   4.292  11.360
   43   HD12  LEU   5          HD12      LEU   5  -2.830   5.861  10.920
   44   HD13  LEU   5          HD13      LEU   5  -3.337   4.735   9.661
   45   HD21  LEU   5          HD21      LEU   5  -6.459   4.245  10.287
   46   HD22  LEU   5          HD22      LEU   5  -6.703   5.163  11.772
   47   HD23  LEU   5          HD23      LEU   5  -5.467   3.906  11.706
   48    H    CYS   6           H        CYS   6  -5.902  10.389  11.479
   49    HA   CYS   6           HA       CYS   6  -3.948  11.233  13.516
   50    HB2  CYS   6           HB2      CYS   6  -5.696  12.828  11.649
   51    HB3  CYS   6           HB3      CYS   6  -4.969  13.548  13.083
   52    H    TYR   7           H        TYR   7  -4.613  11.373  15.557
   53    HA   TYR   7           HA       TYR   7  -7.303  12.074  16.264
   54    HB2  TYR   7           HB2      TYR   7  -7.166   9.493  15.685
   55    HB3  TYR   7           HB3      TYR   7  -6.508   9.394  17.314
   56    HD1  TYR   7           HD1      TYR   7  -8.014   8.926  18.989
   57    HD2  TYR   7           HD2      TYR   7  -9.369  11.067  15.571
   58    HE1  TYR   7           HE1      TYR   7 -10.292   8.951  19.915
   59    HE2  TYR   7           HE2      TYR   7 -11.650  11.099  16.488
   60    HH   TYR   7           HH       TYR   7 -12.464   9.367  19.450
   61    H    LYS   8           H        LYS   8  -7.416  12.889  18.297
   62    HA   LYS   8           HA       LYS   8  -6.646  13.838  20.222
   63    HB2  LYS   8           HB2      LYS   8  -5.284  11.147  20.442
   64    HB3  LYS   8           HB3      LYS   8  -5.458  12.296  21.762
   65    HG2  LYS   8           HG2      LYS   8  -8.011  12.108  21.138
   66    HG3  LYS   8           HG3      LYS   8  -7.492  10.555  20.477
   67    HD2  LYS   8           HD2      LYS   8  -6.931  11.484  23.293
   68    HD3  LYS   8           HD3      LYS   8  -8.280  10.441  22.839
   69    HE2  LYS   8           HE2      LYS   8  -5.402   9.775  22.258
   70    HE3  LYS   8           HE3      LYS   8  -6.235   9.265  23.727
   71    HZ1  LYS   8           HZ1      LYS   8  -7.566   8.670  21.209
   72    HZ2  LYS   8           HZ2      LYS   8  -7.451   7.743  22.620
   73    HZ3  LYS   8           HZ3      LYS   8  -6.156   7.794  21.532
   74    H    GLN   9           H        GLN   9  -5.187  14.571  17.954
   75    HA   GLN   9           HA       GLN   9  -3.283  15.672  17.372
   76    HB2  GLN   9           HB2      GLN   9  -2.435  15.413  20.254
   77    HB3  GLN   9           HB3      GLN   9  -1.922  16.627  19.089
   78    HG2  GLN   9           HG2      GLN   9  -4.501  17.164  19.036
   79    HG3  GLN   9           HG3      GLN   9  -4.448  16.421  20.633
   80   HE21  GLN   9          HE21      GLN   9  -4.228  17.826  22.204
   81   HE22  GLN   9          HE22      GLN   9  -3.357  19.316  22.132
   82    H    ARG  10           H        ARG  10  -3.388  12.816  17.167
   83    HA   ARG  10           HA       ARG  10  -0.510  12.228  17.322
   84    HB2  ARG  10           HB2      ARG  10  -1.880  11.019  19.074
   85    HB3  ARG  10           HB3      ARG  10  -2.675  10.171  17.754
   86    HG2  ARG  10           HG2      ARG  10  -1.075   8.642  18.137
   87    HG3  ARG  10           HG3      ARG  10  -0.105   9.707  17.119
   88    HD2  ARG  10           HD2      ARG  10   0.569  10.895  19.258
   89    HD3  ARG  10           HD3      ARG  10  -0.157   9.539  20.121
   90    HE   ARG  10           HE       ARG  10   1.618   8.486  18.258
   91   HH11  ARG  10          HH11      ARG  10   1.707  10.484  21.108
   92   HH12  ARG  10          HH12      ARG  10   3.300   9.981  21.570
   93   HH21  ARG  10          HH21      ARG  10   3.716   7.816  18.855
   94   HH22  ARG  10          HH22      ARG  10   4.441   8.465  20.286
   95    H    CYS  11           H        CYS  11   0.128  12.318  15.260
   96    HA   CYS  11           HA       CYS  11  -1.500  10.909  13.245
   97    HB2  CYS  11           HB2      CYS  11   0.352  13.278  12.909
   98    HB3  CYS  11           HB3      CYS  11  -0.403  12.412  11.575
   99    H    VAL  12           H        VAL  12  -0.610   9.229  12.229
  100    HA   VAL  12           HA       VAL  12   2.294   8.987  12.064
  101    HB   VAL  12           HB       VAL  12   2.122   6.566  12.785
  102   HG11  VAL  12          HG11      VAL  12   1.429   8.369  15.068
  103   HG12  VAL  12          HG12      VAL  12   2.637   7.084  14.981
  104   HG13  VAL  12          HG13      VAL  12   2.919   8.619  14.159
  105   HG21  VAL  12          HG21      VAL  12  -0.439   6.649  12.615
  106   HG22  VAL  12          HG22      VAL  12   0.272   5.783  13.977
  107   HG23  VAL  12          HG23      VAL  12  -0.382   7.403  14.208
  108    H    THR  13           H        THR  13   3.018   7.564  10.436
  109    HA   THR  13           HA       THR  13   0.936   6.843   8.480
  110    HB   THR  13           HB       THR  13   3.645   6.907   7.415
  111    HG1  THR  13           HG1      THR  13   3.659   9.296   7.502
  112   HG21  THR  13          HG21      THR  13   1.073   8.331   6.726
  113   HG22  THR  13          HG22      THR  13   1.698   6.855   5.989
  114   HG23  THR  13          HG23      THR  13   2.540   8.386   5.750
  115    H    TYR  14           H        TYR  14   0.510   4.733   8.623
  116    HA   TYR  14           HA       TYR  14   2.697   2.862   9.174
  117    HB2  TYR  14           HB2      TYR  14  -0.250   2.809   9.568
  118    HB3  TYR  14           HB3      TYR  14   0.545   1.275   9.231
  119    HD1  TYR  14           HD1      TYR  14   1.736   0.137  10.914
  120    HD2  TYR  14           HD2      TYR  14   0.537   4.171  11.549
  121    HE1  TYR  14           HE1      TYR  14   2.395  -0.044  13.278
  122    HE2  TYR  14           HE2      TYR  14   1.194   3.999  13.914
  123    HH   TYR  14           HH       TYR  14   1.489   2.196  15.615
  124    H    CYS  15           H        CYS  15   3.646   1.931   7.498
  125    HA   CYS  15           HA       CYS  15   2.093   1.536   5.029
  126    HB2  CYS  15           HB2      CYS  15   5.102   1.606   5.329
  127    HB3  CYS  15           HB3      CYS  15   4.191   1.572   3.822
  128    H    ARG  16           H        ARG  16   2.389  -0.423   3.840
  129    HA   ARG  16           HA       ARG  16   2.293  -2.744   5.407
  130    HB2  ARG  16           HB2      ARG  16   2.473  -2.183   2.479
  131    HB3  ARG  16           HB3      ARG  16   2.748  -3.829   3.037
  132    HG2  ARG  16           HG2      ARG  16   0.433  -3.492   2.375
  133    HG3  ARG  16           HG3      ARG  16   0.556  -3.847   4.098
  134    HD2  ARG  16           HD2      ARG  16   0.363  -1.456   4.598
  135    HD3  ARG  16           HD3      ARG  16   0.235  -1.108   2.873
  136    HE   ARG  16           HE       ARG  16  -1.745  -2.963   3.794
  137   HH11  ARG  16          HH11      ARG  16  -0.928   0.408   3.502
  138   HH12  ARG  16          HH12      ARG  16  -2.576   0.944   3.516
  139   HH21  ARG  16          HH21      ARG  16  -3.919  -2.271   3.813
  140   HH22  ARG  16          HH22      ARG  16  -4.276  -0.582   3.694
  141    H    GLY  17           H        GLY  17   3.775  -4.256   5.979
  142    HA2  GLY  17           HA2      GLY  17   6.141  -4.974   4.888
  143    HA3  GLY  17           HA3      GLY  17   6.561  -3.508   5.764
  144    H    ARG  18           H        ARG  18   7.036  -3.662   7.868
  145    HA   ARG  18           HA       ARG  18   6.140  -6.028   9.351
  146    HB2  ARG  18           HB2      ARG  18   8.467  -6.380   8.460
  147    HB3  ARG  18           HB3      ARG  18   8.983  -5.012   9.437
  148    HG2  ARG  18           HG2      ARG  18   9.531  -6.900  10.698
  149    HG3  ARG  18           HG3      ARG  18   8.048  -6.289  11.429
  150    HD2  ARG  18           HD2      ARG  18   6.819  -7.932   9.925
  151    HD3  ARG  18           HD3      ARG  18   8.396  -8.656   9.612
  152    HE   ARG  18           HE       ARG  18   7.791  -8.381  12.407
  153   HH11  ARG  18          HH11      ARG  18   7.418 -10.386   9.584
  154   HH12  ARG  18          HH12      ARG  18   7.190 -11.845  10.490
  155   HH21  ARG  18          HH21      ARG  18   7.491 -10.296  13.611
  156   HH22  ARG  18          HH22      ARG  18   7.230 -11.792  12.781
  157    HN1  NH2  19           H1       NH2  19   5.885  -5.731  11.564
  158    HN2  NH2  19           H2       NH2  19   5.924  -4.214  12.348
  Start of MODEL   15
    1    H    PCA   1           H        PCA   1   1.291  -0.024  -0.516
    2    HA   PCA   1           HA       PCA   1   1.247   2.221  -0.437
    3    HB2  PCA   1           HB2      PCA   1  -1.363   2.991   0.156
    4    HB3  PCA   1           HB3      PCA   1  -0.927   2.439  -1.471
    5    HG2  PCA   1           HG2      PCA   1  -2.092   0.777   0.826
    6    HG3  PCA   1           HG3      PCA   1  -2.580   0.781  -0.883
    7    H    CYS   2           H        CYS   2   0.178   3.863   1.238
    8    HA   CYS   2           HA       CYS   2   0.719   2.758   3.916
    9    HB2  CYS   2           HB2      CYS   2   1.393   5.500   2.831
   10    HB3  CYS   2           HB3      CYS   2   1.618   5.000   4.503
   11    H    ARG   3           H        ARG   3  -0.340   3.845   5.705
   12    HA   ARG   3           HA       ARG   3  -2.803   5.262   4.939
   13    HB2  ARG   3           HB2      ARG   3  -2.511   2.933   6.830
   14    HB3  ARG   3           HB3      ARG   3  -3.898   4.011   6.875
   15    HG2  ARG   3           HG2      ARG   3  -4.103   3.443   4.352
   16    HG3  ARG   3           HG3      ARG   3  -3.090   2.059   4.767
   17    HD2  ARG   3           HD2      ARG   3  -5.600   2.724   6.281
   18    HD3  ARG   3           HD3      ARG   3  -5.617   1.720   4.832
   19    HE   ARG   3           HE       ARG   3  -4.730   0.962   7.449
   20   HH11  ARG   3          HH11      ARG   3  -4.372   0.354   4.041
   21   HH12  ARG   3          HH12      ARG   3  -3.824  -1.275   4.256
   22   HH21  ARG   3          HH21      ARG   3  -4.010  -1.181   7.747
   23   HH22  ARG   3          HH22      ARG   3  -3.619  -2.149   6.365
   24    H    ARG   4           H        ARG   4  -3.200   7.063   6.067
   25    HA   ARG   4           HA       ARG   4  -1.543   7.577   8.447
   26    HB2  ARG   4           HB2      ARG   4  -1.412   9.027   6.257
   27    HB3  ARG   4           HB3      ARG   4  -2.872   9.767   6.901
   28    HG2  ARG   4           HG2      ARG   4  -1.676  10.354   8.948
   29    HG3  ARG   4           HG3      ARG   4  -0.212   9.608   8.305
   30    HD2  ARG   4           HD2      ARG   4  -0.001  11.933   7.922
   31    HD3  ARG   4           HD3      ARG   4  -0.394  11.206   6.364
   32    HE   ARG   4           HE       ARG   4  -2.703  12.127   7.789
   33   HH11  ARG   4          HH11      ARG   4  -0.106  13.071   5.671
   34   HH12  ARG   4          HH12      ARG   4  -0.962  14.426   5.012
   35   HH21  ARG   4          HH21      ARG   4  -3.840  13.909   6.930
   36   HH22  ARG   4          HH22      ARG   4  -3.085  14.902   5.729
   37    H    LEU   5           H        LEU   5  -2.524   7.865  10.342
   38    HA   LEU   5           HA       LEU   5  -5.397   8.505  10.356
   39    HB2  LEU   5           HB2      LEU   5  -4.042   6.638  12.289
   40    HB3  LEU   5           HB3      LEU   5  -5.766   6.981  12.163
   41    HG   LEU   5           HG       LEU   5  -4.415   5.794   9.797
   42   HD11  LEU   5          HD11      LEU   5  -3.674   3.998  10.861
   43   HD12  LEU   5          HD12      LEU   5  -5.333   3.640  11.341
   44   HD13  LEU   5          HD13      LEU   5  -4.298   4.598  12.398
   45   HD21  LEU   5          HD21      LEU   5  -7.099   5.401  11.117
   46   HD22  LEU   5          HD22      LEU   5  -6.577   4.646   9.612
   47   HD23  LEU   5          HD23      LEU   5  -6.767   6.398   9.701
   48    H    CYS   6           H        CYS   6  -5.887  10.247  11.509
   49    HA   CYS   6           HA       CYS   6  -3.947  11.177  13.523
   50    HB2  CYS   6           HB2      CYS   6  -5.746  12.697  11.644
   51    HB3  CYS   6           HB3      CYS   6  -5.058  13.452  13.077
   52    H    TYR   7           H        TYR   7  -4.608  11.216  15.564
   53    HA   TYR   7           HA       TYR   7  -7.318  11.862  16.279
   54    HB2  TYR   7           HB2      TYR   7  -7.092   9.285  15.705
   55    HB3  TYR   7           HB3      TYR   7  -6.430   9.214  17.335
   56    HD1  TYR   7           HD1      TYR   7  -7.934   8.623  18.970
   57    HD2  TYR   7           HD2      TYR   7  -9.331  10.860  15.631
   58    HE1  TYR   7           HE1      TYR   7 -10.211   8.572  19.896
   59    HE2  TYR   7           HE2      TYR   7 -11.612  10.817  16.550
   60    HH   TYR   7           HH       TYR   7 -12.391   8.965  19.447
   61    H    LYS   8           H        LYS   8  -7.460  12.661  18.321
   62    HA   LYS   8           HA       LYS   8  -6.720  13.634  20.245
   63    HB2  LYS   8           HB2      LYS   8  -5.350  10.950  20.395
   64    HB3  LYS   8           HB3      LYS   8  -5.331  12.110  21.717
   65    HG2  LYS   8           HG2      LYS   8  -7.844  12.052  21.660
   66    HG3  LYS   8           HG3      LYS   8  -7.708  10.693  20.543
   67    HD2  LYS   8           HD2      LYS   8  -8.000   9.828  22.764
   68    HD3  LYS   8           HD3      LYS   8  -6.341   9.504  22.252
   69    HE2  LYS   8           HE2      LYS   8  -5.469  11.175  23.640
   70    HE3  LYS   8           HE3      LYS   8  -7.037  11.957  23.836
   71    HZ1  LYS   8           HZ1      LYS   8  -6.256   9.320  24.956
   72    HZ2  LYS   8           HZ2      LYS   8  -7.778  10.037  25.122
   73    HZ3  LYS   8           HZ3      LYS   8  -6.421  10.761  25.828
   74    H    GLN   9           H        GLN   9  -5.310  14.438  17.969
   75    HA   GLN   9           HA       GLN   9  -3.462  15.621  17.373
   76    HB2  GLN   9           HB2      GLN   9  -2.560  15.406  20.243
   77    HB3  GLN   9           HB3      GLN   9  -2.156  16.657  19.075
   78    HG2  GLN   9           HG2      GLN   9  -4.498  17.396  19.082
   79    HG3  GLN   9           HG3      GLN   9  -4.865  16.170  20.294
   80   HE21  GLN   9          HE21      GLN   9  -3.805  16.343  22.360
   81   HE22  GLN   9          HE22      GLN   9  -3.351  17.897  22.962
   82    H    ARG  10           H        ARG  10  -3.438  12.766  17.170
   83    HA   ARG  10           HA       ARG  10  -0.533  12.311  17.310
   84    HB2  ARG  10           HB2      ARG  10  -1.843  11.039  19.067
   85    HB3  ARG  10           HB3      ARG  10  -2.596  10.152  17.749
   86    HG2  ARG  10           HG2      ARG  10   0.291  10.166  17.529
   87    HG3  ARG  10           HG3      ARG  10  -0.258   9.492  19.065
   88    HD2  ARG  10           HD2      ARG  10  -1.922   8.154  17.598
   89    HD3  ARG  10           HD3      ARG  10  -0.829   8.563  16.276
   90    HE   ARG  10           HE       ARG  10   0.711   7.088  17.127
   91   HH11  ARG  10          HH11      ARG  10  -1.795   7.643  19.478
   92   HH12  ARG  10          HH12      ARG  10  -1.268   6.373  20.533
   93   HH21  ARG  10          HH21      ARG  10   1.415   5.413  18.508
   94   HH22  ARG  10          HH22      ARG  10   0.559   5.107  19.980
   95    H    CYS  11           H        CYS  11   0.096  12.415  15.248
   96    HA   CYS  11           HA       CYS  11  -1.487  10.954  13.237
   97    HB2  CYS  11           HB2      CYS  11   0.286  13.382  12.913
   98    HB3  CYS  11           HB3      CYS  11  -0.415  12.486  11.568
   99    H    VAL  12           H        VAL  12  -0.552   9.297  12.221
  100    HA   VAL  12           HA       VAL  12   2.357   9.137  12.053
  101    HB   VAL  12           HB       VAL  12   2.249   6.710  12.774
  102   HG11  VAL  12          HG11      VAL  12   1.540   8.549  15.032
  103   HG12  VAL  12          HG12      VAL  12   2.719   7.237  14.995
  104   HG13  VAL  12          HG13      VAL  12   3.047   8.742  14.137
  105   HG21  VAL  12          HG21      VAL  12  -0.244   7.469  14.249
  106   HG22  VAL  12          HG22      VAL  12  -0.336   6.777  12.630
  107   HG23  VAL  12          HG23      VAL  12   0.422   5.867  13.936
  108    H    THR  13           H        THR  13   3.120   7.719  10.435
  109    HA   THR  13           HA       THR  13   1.081   7.047   8.425
  110    HB   THR  13           HB       THR  13   3.819   6.880   7.475
  111    HG1  THR  13           HG1      THR  13   2.926   9.404   8.464
  112   HG21  THR  13          HG21      THR  13   1.466   8.605   6.689
  113   HG22  THR  13          HG22      THR  13   1.865   7.022   6.019
  114   HG23  THR  13          HG23      THR  13   2.941   8.391   5.747
  115    H    TYR  14           H        TYR  14   0.476   4.982   8.676
  116    HA   TYR  14           HA       TYR  14   2.506   2.959   9.289
  117    HB2  TYR  14           HB2      TYR  14  -0.440   3.149   9.644
  118    HB3  TYR  14           HB3      TYR  14   0.227   1.549   9.337
  119    HD1  TYR  14           HD1      TYR  14   2.311   0.921  10.836
  120    HD2  TYR  14           HD2      TYR  14  -0.568   3.891  11.829
  121    HE1  TYR  14           HE1      TYR  14   2.930   0.720  13.207
  122    HE2  TYR  14           HE2      TYR  14   0.044   3.699  14.204
  123    HH   TYR  14           HH       TYR  14   2.660   1.550  15.257
  124    H    CYS  15           H        CYS  15   3.407   1.928   7.647
  125    HA   CYS  15           HA       CYS  15   1.852   1.572   5.171
  126    HB2  CYS  15           HB2      CYS  15   4.859   1.474   5.479
  127    HB3  CYS  15           HB3      CYS  15   3.947   1.477   3.973
  128    H    ARG  16           H        ARG  16   2.119  -0.426   4.003
  129    HA   ARG  16           HA       ARG  16   2.104  -2.700   5.759
  130    HB2  ARG  16           HB2      ARG  16   1.743  -2.387   2.782
  131    HB3  ARG  16           HB3      ARG  16   1.732  -3.957   3.575
  132    HG2  ARG  16           HG2      ARG  16  -0.088  -1.800   4.541
  133    HG3  ARG  16           HG3      ARG  16  -0.501  -2.722   3.094
  134    HD2  ARG  16           HD2      ARG  16  -1.529  -3.959   4.746
  135    HD3  ARG  16           HD3      ARG  16   0.022  -4.785   4.594
  136    HE   ARG  16           HE       ARG  16  -0.010  -2.710   6.589
  137   HH11  ARG  16          HH11      ARG  16  -0.646  -6.068   5.925
  138   HH12  ARG  16          HH12      ARG  16  -0.461  -6.564   7.575
  139   HH21  ARG  16          HH21      ARG  16   0.236  -3.351   8.764
  140   HH22  ARG  16          HH22      ARG  16   0.041  -5.016   9.189
  141    H    GLY  17           H        GLY  17   3.537  -4.416   5.819
  142    HA2  GLY  17           HA2      GLY  17   5.460  -5.448   4.489
  143    HA3  GLY  17           HA3      GLY  17   6.172  -3.847   4.625
  144    H    ARG  18           H        ARG  18   7.216  -6.386   5.587
  145    HA   ARG  18           HA       ARG  18   7.319  -5.773   8.467
  146    HB2  ARG  18           HB2      ARG  18   7.176  -8.397   7.031
  147    HB3  ARG  18           HB3      ARG  18   8.007  -8.303   8.579
  148    HG2  ARG  18           HG2      ARG  18   5.195  -7.323   8.204
  149    HG3  ARG  18           HG3      ARG  18   5.571  -8.995   8.620
  150    HD2  ARG  18           HD2      ARG  18   6.483  -6.600  10.206
  151    HD3  ARG  18           HD3      ARG  18   5.044  -7.549  10.579
  152    HE   ARG  18           HE       ARG  18   7.299  -9.238  10.400
  153   HH11  ARG  18          HH11      ARG  18   5.854  -6.832  12.460
  154   HH12  ARG  18          HH12      ARG  18   6.557  -7.465  13.911
  155   HH21  ARG  18          HH21      ARG  18   8.229 -10.081  12.305
  156   HH22  ARG  18          HH22      ARG  18   7.907  -9.313  13.822
  157    HN1  NH2  19           H1       NH2  19   9.193  -7.792   6.202
  158    HN2  NH2  19           H2       NH2  19  10.738  -7.157   6.559
  Start of MODEL   16
    1    H    PCA   1           H        PCA   1   0.821  -1.058   0.199
    2    HA   PCA   1           HA       PCA   1   1.030   1.154  -0.131
    3    HB2  PCA   1           HB2      PCA   1  -1.479   2.301   0.252
    4    HB3  PCA   1           HB3      PCA   1  -1.101   1.419  -1.238
    5    HG2  PCA   1           HG2      PCA   1  -2.456   0.339   1.292
    6    HG3  PCA   1           HG3      PCA   1  -2.933   0.086  -0.402
    7    H    CYS   2           H        CYS   2   0.043   3.174   1.208
    8    HA   CYS   2           HA       CYS   2   0.515   2.529   4.046
    9    HB2  CYS   2           HB2      CYS   2   1.310   5.058   2.587
   10    HB3  CYS   2           HB3      CYS   2   1.641   4.680   4.275
   11    H    ARG   3           H        ARG   3  -0.389   4.132   5.578
   12    HA   ARG   3           HA       ARG   3  -2.637   5.696   4.600
   13    HB2  ARG   3           HB2      ARG   3  -4.244   4.649   6.111
   14    HB3  ARG   3           HB3      ARG   3  -3.601   3.470   4.975
   15    HG2  ARG   3           HG2      ARG   3  -2.269   2.451   6.625
   16    HG3  ARG   3           HG3      ARG   3  -2.493   3.797   7.744
   17    HD2  ARG   3           HD2      ARG   3  -3.964   2.267   8.616
   18    HD3  ARG   3           HD3      ARG   3  -5.023   3.156   7.523
   19    HE   ARG   3           HE       ARG   3  -5.227   1.272   6.234
   20   HH11  ARG   3          HH11      ARG   3  -2.566   0.877   8.445
   21   HH12  ARG   3          HH12      ARG   3  -2.337  -0.801   8.074
   22   HH21  ARG   3          HH21      ARG   3  -4.936  -0.936   5.736
   23   HH22  ARG   3          HH22      ARG   3  -3.684  -1.830   6.533
   24    H    ARG   4           H        ARG   4  -3.268   7.341   5.990
   25    HA   ARG   4           HA       ARG   4  -1.494   7.748   8.305
   26    HB2  ARG   4           HB2      ARG   4  -1.184   9.409   6.539
   27    HB3  ARG   4           HB3      ARG   4  -2.900   9.791   6.576
   28    HG2  ARG   4           HG2      ARG   4  -2.731  10.768   8.725
   29    HG3  ARG   4           HG3      ARG   4  -1.098  10.139   8.955
   30    HD2  ARG   4           HD2      ARG   4  -1.650  11.937   6.642
   31    HD3  ARG   4           HD3      ARG   4  -1.498  12.637   8.252
   32    HE   ARG   4           HE       ARG   4   0.673  10.911   7.767
   33   HH11  ARG   4          HH11      ARG   4  -0.595  14.001   6.785
   34   HH12  ARG   4          HH12      ARG   4   0.960  14.665   6.406
   35   HH21  ARG   4          HH21      ARG   4   2.725  11.773   7.272
   36   HH22  ARG   4          HH22      ARG   4   2.847  13.396   6.682
   37    H    LEU   5           H        LEU   5  -2.357   7.995  10.279
   38    HA   LEU   5           HA       LEU   5  -5.273   8.357  10.480
   39    HB2  LEU   5           HB2      LEU   5  -3.598   6.688  12.341
   40    HB3  LEU   5           HB3      LEU   5  -5.354   6.836  12.322
   41    HG   LEU   5           HG       LEU   5  -4.003   5.747   9.903
   42   HD11  LEU   5          HD11      LEU   5  -4.632   3.529  11.459
   43   HD12  LEU   5          HD12      LEU   5  -3.739   4.601  12.538
   44   HD13  LEU   5          HD13      LEU   5  -3.021   4.091  11.010
   45   HD21  LEU   5          HD21      LEU   5  -6.400   4.515  11.079
   46   HD22  LEU   5          HD22      LEU   5  -6.054   4.962   9.409
   47   HD23  LEU   5          HD23      LEU   5  -6.588   6.189  10.558
   48    H    CYS   6           H        CYS   6  -5.868  10.065  11.632
   49    HA   CYS   6           HA       CYS   6  -3.957  11.176  13.581
   50    HB2  CYS   6           HB2      CYS   6  -5.786  12.563  11.631
   51    HB3  CYS   6           HB3      CYS   6  -5.163  13.389  13.057
   52    H    TYR   7           H        TYR   7  -4.650  11.344  15.611
   53    HA   TYR   7           HA       TYR   7  -7.365  11.902  16.296
   54    HB2  TYR   7           HB2      TYR   7  -7.113   9.320  15.731
   55    HB3  TYR   7           HB3      TYR   7  -6.491   9.264  17.377
   56    HD1  TYR   7           HD1      TYR   7  -7.991   8.928  19.101
   57    HD2  TYR   7           HD2      TYR   7  -9.396  10.636  15.466
   58    HE1  TYR   7           HE1      TYR   7 -10.291   8.874  19.971
   59    HE2  TYR   7           HE2      TYR   7 -11.700  10.588  16.328
   60    HH   TYR   7           HH       TYR   7 -13.039   9.631  17.954
   61    H    LYS   8           H        LYS   8  -7.517  12.735  18.317
   62    HA   LYS   8           HA       LYS   8  -6.794  13.719  20.241
   63    HB2  LYS   8           HB2      LYS   8  -5.432  11.032  20.459
   64    HB3  LYS   8           HB3      LYS   8  -5.493  12.202  21.772
   65    HG2  LYS   8           HG2      LYS   8  -8.030  12.112  21.499
   66    HG3  LYS   8           HG3      LYS   8  -7.746  10.665  20.528
   67    HD2  LYS   8           HD2      LYS   8  -6.580  10.962  23.278
   68    HD3  LYS   8           HD3      LYS   8  -8.223  10.366  23.035
   69    HE2  LYS   8           HE2      LYS   8  -5.778   9.169  21.740
   70    HE3  LYS   8           HE3      LYS   8  -6.488   8.580  23.242
   71    HZ1  LYS   8           HZ1      LYS   8  -8.447   8.834  21.194
   72    HZ2  LYS   8           HZ2      LYS   8  -8.032   7.480  22.117
   73    HZ3  LYS   8           HZ3      LYS   8  -7.181   7.827  20.698
   74    H    GLN   9           H        GLN   9  -5.337  14.484  17.987
   75    HA   GLN   9           HA       GLN   9  -3.461  15.637  17.415
   76    HB2  GLN   9           HB2      GLN   9  -2.622  15.412  20.303
   77    HB3  GLN   9           HB3      GLN   9  -2.147  16.640  19.137
   78    HG2  GLN   9           HG2      GLN   9  -4.936  16.254  20.197
   79    HG3  GLN   9           HG3      GLN   9  -3.783  17.452  20.781
   80   HE21  GLN   9          HE21      GLN   9  -2.713  18.547  18.646
   81   HE22  GLN   9          HE22      GLN   9  -3.902  19.268  17.621
   82    H    ARG  10           H        ARG  10  -3.483  12.779  17.220
   83    HA   ARG  10           HA       ARG  10  -0.590  12.275  17.400
   84    HB2  ARG  10           HB2      ARG  10  -1.951  11.031  19.142
   85    HB3  ARG  10           HB3      ARG  10  -2.692  10.150  17.812
   86    HG2  ARG  10           HG2      ARG  10  -0.408   9.411  17.130
   87    HG3  ARG  10           HG3      ARG  10   0.208  10.149  18.610
   88    HD2  ARG  10           HD2      ARG  10  -0.765   8.577  19.963
   89    HD3  ARG  10           HD3      ARG  10  -2.064   8.241  18.819
   90    HE   ARG  10           HE       ARG  10   0.512   6.968  18.943
   91   HH11  ARG  10          HH11      ARG  10  -2.218   7.733  16.922
   92   HH12  ARG  10          HH12      ARG  10  -1.934   6.426  15.821
   93   HH21  ARG  10          HH21      ARG  10   0.896   5.244  17.499
   94   HH22  ARG  10          HH22      ARG  10  -0.164   5.009  16.150
   95    H    CYS  11           H        CYS  11  -0.008  12.480  15.314
   96    HA   CYS  11           HA       CYS  11  -1.556  10.985  13.301
   97    HB2  CYS  11           HB2      CYS  11   0.195  13.431  13.012
   98    HB3  CYS  11           HB3      CYS  11  -0.446  12.525  11.644
   99    H    VAL  12           H        VAL  12  -0.612   9.334  12.285
  100    HA   VAL  12           HA       VAL  12   2.297   9.179  12.132
  101    HB   VAL  12           HB       VAL  12   2.200   6.755  12.850
  102   HG11  VAL  12          HG11      VAL  12   1.440   8.580  15.104
  103   HG12  VAL  12          HG12      VAL  12   2.630   7.277  15.080
  104   HG13  VAL  12          HG13      VAL  12   2.958   8.789  14.232
  105   HG21  VAL  12          HG21      VAL  12  -0.355   7.522  14.229
  106   HG22  VAL  12          HG22      VAL  12  -0.349   6.722  12.658
  107   HG23  VAL  12          HG23      VAL  12   0.368   5.922  14.056
  108    H    THR  13           H        THR  13   3.071   7.768  10.511
  109    HA   THR  13           HA       THR  13   1.021   7.003   8.537
  110    HB   THR  13           HB       THR  13   3.739   7.122   7.502
  111    HG1  THR  13           HG1      THR  13   4.195   8.858   8.704
  112   HG21  THR  13          HG21      THR  13   2.647   8.506   5.788
  113   HG22  THR  13          HG22      THR  13   1.179   8.544   6.766
  114   HG23  THR  13          HG23      THR  13   1.751   7.018   6.094
  115    H    TYR  14           H        TYR  14   0.629   4.887   8.737
  116    HA   TYR  14           HA       TYR  14   2.901   3.066   9.148
  117    HB2  TYR  14           HB2      TYR  14   0.035   2.986   9.935
  118    HB3  TYR  14           HB3      TYR  14   0.804   1.453   9.543
  119    HD1  TYR  14           HD1      TYR  14   3.317   1.337  10.657
  120    HD2  TYR  14           HD2      TYR  14  -0.031   3.478  12.178
  121    HE1  TYR  14           HE1      TYR  14   4.291   1.245  12.915
  122    HE2  TYR  14           HE2      TYR  14   0.934   3.392  14.439
  123    HH   TYR  14           HH       TYR  14   3.472   1.362  15.279
  124    H    CYS  15           H        CYS  15   3.499   1.704   7.586
  125    HA   CYS  15           HA       CYS  15   1.773   1.495   5.210
  126    HB2  CYS  15           HB2      CYS  15   4.772   1.144   5.415
  127    HB3  CYS  15           HB3      CYS  15   3.821   1.033   3.937
  128    H    ARG  16           H        ARG  16   1.210  -0.473   4.420
  129    HA   ARG  16           HA       ARG  16   1.328  -2.711   6.151
  130    HB2  ARG  16           HB2      ARG  16   0.345  -2.245   3.363
  131    HB3  ARG  16           HB3      ARG  16   0.486  -3.893   3.963
  132    HG2  ARG  16           HG2      ARG  16  -0.881  -2.979   5.983
  133    HG3  ARG  16           HG3      ARG  16  -1.328  -1.700   4.851
  134    HD2  ARG  16           HD2      ARG  16  -1.540  -4.538   3.970
  135    HD3  ARG  16           HD3      ARG  16  -2.762  -3.897   5.070
  136    HE   ARG  16           HE       ARG  16  -2.349  -2.166   2.854
  137   HH11  ARG  16          HH11      ARG  16  -3.887  -5.140   3.808
  138   HH12  ARG  16          HH12      ARG  16  -5.121  -5.042   2.597
  139   HH21  ARG  16          HH21      ARG  16  -3.971  -2.025   1.256
  140   HH22  ARG  16          HH22      ARG  16  -5.168  -3.271   1.145
  141    H    GLY  17           H        GLY  17   2.528  -4.580   6.064
  142    HA2  GLY  17           HA2      GLY  17   4.496  -4.913   3.935
  143    HA3  GLY  17           HA3      GLY  17   5.129  -4.670   5.556
  144    H    ARG  18           H        ARG  18   6.106  -6.798   5.175
  145    HA   ARG  18           HA       ARG  18   4.392  -9.100   5.044
  146    HB2  ARG  18           HB2      ARG  18   7.320  -9.036   5.772
  147    HB3  ARG  18           HB3      ARG  18   6.404 -10.400   5.147
  148    HG2  ARG  18           HG2      ARG  18   6.081  -9.155   3.030
  149    HG3  ARG  18           HG3      ARG  18   7.125  -7.882   3.666
  150    HD2  ARG  18           HD2      ARG  18   9.005  -9.304   3.705
  151    HD3  ARG  18           HD3      ARG  18   8.013 -10.746   3.495
  152    HE   ARG  18           HE       ARG  18   7.662  -9.081   1.269
  153   HH11  ARG  18          HH11      ARG  18  10.107 -11.060   2.760
  154   HH12  ARG  18          HH12      ARG  18  10.914 -11.415   1.268
  155   HH21  ARG  18          HH21      ARG  18   8.715  -9.541  -0.702
  156   HH22  ARG  18          HH22      ARG  18  10.122 -10.550  -0.700
  157    HN1  NH2  19           H1       NH2  19   6.701  -7.954   7.516
  158    HN2  NH2  19           H2       NH2  19   5.899  -8.588   8.884
  Start of MODEL   17
    1    H    PCA   1           H        PCA   1   1.186  -0.703  -0.130
    2    HA   PCA   1           HA       PCA   1   1.028   1.531  -0.299
    3    HB2  PCA   1           HB2      PCA   1  -1.620   2.226   0.213
    4    HB3  PCA   1           HB3      PCA   1  -1.150   1.522  -1.345
    5    HG2  PCA   1           HG2      PCA   1  -2.237   0.065   1.124
    6    HG3  PCA   1           HG3      PCA   1  -2.719  -0.145  -0.575
    7    H    CYS   2           H        CYS   2   0.147   3.332   1.155
    8    HA   CYS   2           HA       CYS   2   0.573   2.526   3.958
    9    HB2  CYS   2           HB2      CYS   2   1.360   5.123   2.618
   10    HB3  CYS   2           HB3      CYS   2   1.630   4.717   4.310
   11    H    ARG   3           H        ARG   3  -0.324   4.109   5.562
   12    HA   ARG   3           HA       ARG   3  -2.652   5.595   4.635
   13    HB2  ARG   3           HB2      ARG   3  -4.126   4.504   6.302
   14    HB3  ARG   3           HB3      ARG   3  -3.585   3.402   5.043
   15    HG2  ARG   3           HG2      ARG   3  -3.170   2.045   6.781
   16    HG3  ARG   3           HG3      ARG   3  -1.676   2.979   6.894
   17    HD2  ARG   3           HD2      ARG   3  -2.376   3.176   9.049
   18    HD3  ARG   3           HD3      ARG   3  -3.231   4.555   8.361
   19    HE   ARG   3           HE       ARG   3  -5.221   3.458   8.697
   20   HH11  ARG   3          HH11      ARG   3  -2.575   1.237   9.124
   21   HH12  ARG   3          HH12      ARG   3  -3.568  -0.027   9.768
   22   HH21  ARG   3          HH21      ARG   3  -6.540   1.802   9.544
   23   HH22  ARG   3          HH22      ARG   3  -5.825   0.295  10.006
   24    H    ARG   4           H        ARG   4  -3.306   7.230   6.028
   25    HA   ARG   4           HA       ARG   4  -1.506   7.707   8.312
   26    HB2  ARG   4           HB2      ARG   4  -1.384   9.289   6.319
   27    HB3  ARG   4           HB3      ARG   4  -2.993   9.831   6.774
   28    HG2  ARG   4           HG2      ARG   4  -2.230  10.728   8.810
   29    HG3  ARG   4           HG3      ARG   4  -0.684   9.886   8.689
   30    HD2  ARG   4           HD2      ARG   4  -0.249  11.248   6.607
   31    HD3  ARG   4           HD3      ARG   4  -1.666  12.203   7.037
   32    HE   ARG   4           HE       ARG   4  -0.139  12.253   9.284
   33   HH11  ARG   4          HH11      ARG   4   0.428  13.036   5.940
   34   HH12  ARG   4          HH12      ARG   4   1.606  14.256   6.289
   35   HH21  ARG   4          HH21      ARG   4   1.412  13.857   9.759
   36   HH22  ARG   4          HH22      ARG   4   2.167  14.721   8.461
   37    H    LEU   5           H        LEU   5  -2.371   8.022  10.278
   38    HA   LEU   5           HA       LEU   5  -5.285   8.390  10.468
   39    HB2  LEU   5           HB2      LEU   5  -3.633   6.713  12.346
   40    HB3  LEU   5           HB3      LEU   5  -5.388   6.884  12.324
   41    HG   LEU   5           HG       LEU   5  -4.054   5.764   9.910
   42   HD11  LEU   5          HD11      LEU   5  -3.706   4.658  12.524
   43   HD12  LEU   5          HD12      LEU   5  -3.133   4.051  10.970
   44   HD13  LEU   5          HD13      LEU   5  -4.729   3.591  11.563
   45   HD21  LEU   5          HD21      LEU   5  -6.702   5.718  11.230
   46   HD22  LEU   5          HD22      LEU   5  -6.214   4.261  10.362
   47   HD23  LEU   5          HD23      LEU   5  -6.286   5.810   9.518
   48    H    CYS   6           H        CYS   6  -5.901  10.058  11.679
   49    HA   CYS   6           HA       CYS   6  -3.964  11.183  13.595
   50    HB2  CYS   6           HB2      CYS   6  -5.798  12.576  11.653
   51    HB3  CYS   6           HB3      CYS   6  -5.161  13.400  13.074
   52    H    TYR   7           H        TYR   7  -4.644  11.327  15.629
   53    HA   TYR   7           HA       TYR   7  -7.362  11.901  16.321
   54    HB2  TYR   7           HB2      TYR   7  -7.108   9.317  15.769
   55    HB3  TYR   7           HB3      TYR   7  -6.470   9.269  17.410
   56    HD1  TYR   7           HD1      TYR   7  -7.979   8.770  19.073
   57    HD2  TYR   7           HD2      TYR   7  -9.372  10.791  15.598
   58    HE1  TYR   7           HE1      TYR   7 -10.270   8.713  19.966
   59    HE2  TYR   7           HE2      TYR   7 -11.667  10.742  16.482
   60    HH   TYR   7           HH       TYR   7 -12.701   8.787  18.803
   61    H    LYS   8           H        LYS   8  -7.511  12.738  18.342
   62    HA   LYS   8           HA       LYS   8  -6.784  13.736  20.258
   63    HB2  LYS   8           HB2      LYS   8  -5.430  11.046  20.469
   64    HB3  LYS   8           HB3      LYS   8  -5.436  12.223  21.774
   65    HG2  LYS   8           HG2      LYS   8  -7.871  12.139  21.851
   66    HG3  LYS   8           HG3      LYS   8  -7.875  10.970  20.528
   67    HD2  LYS   8           HD2      LYS   8  -8.090   9.664  22.461
   68    HD3  LYS   8           HD3      LYS   8  -6.382   9.538  22.037
   69    HE2  LYS   8           HE2      LYS   8  -5.967  11.429  23.654
   70    HE3  LYS   8           HE3      LYS   8  -7.637  11.233  24.187
   71    HZ1  LYS   8           HZ1      LYS   8  -6.229  10.003  25.641
   72    HZ2  LYS   8           HZ2      LYS   8  -5.465   9.218  24.351
   73    HZ3  LYS   8           HZ3      LYS   8  -7.087   8.888  24.701
   74    H    GLN   9           H        GLN   9  -5.342  14.499  17.992
   75    HA   GLN   9           HA       GLN   9  -3.477  15.660  17.404
   76    HB2  GLN   9           HB2      GLN   9  -2.654  15.455  20.301
   77    HB3  GLN   9           HB3      GLN   9  -2.138  16.659  19.128
   78    HG2  GLN   9           HG2      GLN   9  -3.690  17.886  20.217
   79    HG3  GLN   9           HG3      GLN   9  -4.744  17.126  19.025
   80   HE21  GLN   9          HE21      GLN   9  -6.584  16.536  19.897
   81   HE22  GLN   9          HE22      GLN   9  -6.801  15.852  21.469
   82    H    ARG  10           H        ARG  10  -3.482  12.802  17.224
   83    HA   ARG  10           HA       ARG  10  -0.584  12.317  17.392
   84    HB2  ARG  10           HB2      ARG  10  -2.192  11.067  19.075
   85    HB3  ARG  10           HB3      ARG  10  -2.489  10.035  17.682
   86    HG2  ARG  10           HG2      ARG  10  -0.295   9.276  17.618
   87    HG3  ARG  10           HG3      ARG  10   0.304  10.633  18.573
   88    HD2  ARG  10           HD2      ARG  10   0.310   8.688  19.964
   89    HD3  ARG  10           HD3      ARG  10  -0.990   9.747  20.511
   90    HE   ARG  10           HE       ARG  10  -1.828   7.737  18.631
   91   HH11  ARG  10          HH11      ARG  10  -1.273   8.482  21.985
   92   HH12  ARG  10          HH12      ARG  10  -2.361   7.268  22.570
   93   HH21  ARG  10          HH21      ARG  10  -3.264   6.134  19.388
   94   HH22  ARG  10          HH22      ARG  10  -3.493   5.932  21.092
   95    H    CYS  11           H        CYS  11  -0.004  12.502  15.306
   96    HA   CYS  11           HA       CYS  11  -1.559  10.997  13.306
   97    HB2  CYS  11           HB2      CYS  11   0.193  13.442  12.998
   98    HB3  CYS  11           HB3      CYS  11  -0.452  12.529  11.638
   99    H    VAL  12           H        VAL  12  -0.620   9.340  12.297
  100    HA   VAL  12           HA       VAL  12   2.291   9.182  12.135
  101    HB   VAL  12           HB       VAL  12   2.190   6.760  12.868
  102   HG11  VAL  12          HG11      VAL  12   2.746   8.990  14.260
  103   HG12  VAL  12          HG12      VAL  12   1.434   8.339  15.244
  104   HG13  VAL  12          HG13      VAL  12   2.873   7.367  14.934
  105   HG21  VAL  12          HG21      VAL  12   0.363   5.922  14.049
  106   HG22  VAL  12          HG22      VAL  12  -0.335   7.522  14.294
  107   HG23  VAL  12          HG23      VAL  12  -0.379   6.777  12.697
  108    H    THR  13           H        THR  13   3.059   7.769  10.519
  109    HA   THR  13           HA       THR  13   1.005   7.003   8.550
  110    HB   THR  13           HB       THR  13   3.724   7.083   7.517
  111    HG1  THR  13           HG1      THR  13   4.030   9.297   7.722
  112   HG21  THR  13          HG21      THR  13   2.645   8.491   5.804
  113   HG22  THR  13          HG22      THR  13   1.174   8.527   6.778
  114   HG23  THR  13          HG23      THR  13   1.747   7.003   6.101
  115    H    TYR  14           H        TYR  14   0.594   4.891   8.708
  116    HA   TYR  14           HA       TYR  14   2.843   3.047   9.162
  117    HB2  TYR  14           HB2      TYR  14  -0.033   2.998   9.918
  118    HB3  TYR  14           HB3      TYR  14   0.726   1.455   9.539
  119    HD1  TYR  14           HD1      TYR  14   3.294   1.451  10.658
  120    HD2  TYR  14           HD2      TYR  14  -0.188   3.362  12.183
  121    HE1  TYR  14           HE1      TYR  14   4.242   1.356  12.926
  122    HE2  TYR  14           HE2      TYR  14   0.750   3.273  14.454
  123    HH   TYR  14           HH       TYR  14   2.681   2.942  15.637
  124    H    CYS  15           H        CYS  15   3.458   1.708   7.594
  125    HA   CYS  15           HA       CYS  15   1.746   1.495   5.208
  126    HB2  CYS  15           HB2      CYS  15   4.738   1.103   5.415
  127    HB3  CYS  15           HB3      CYS  15   3.783   1.062   3.936
  128    H    ARG  16           H        ARG  16   0.870  -0.413   4.773
  129    HA   ARG  16           HA       ARG  16   1.050  -2.647   6.385
  130    HB2  ARG  16           HB2      ARG  16   0.375  -2.557   3.438
  131    HB3  ARG  16           HB3      ARG  16   0.011  -3.891   4.524
  132    HG2  ARG  16           HG2      ARG  16  -1.235  -2.039   5.890
  133    HG3  ARG  16           HG3      ARG  16  -1.243  -1.199   4.337
  134    HD2  ARG  16           HD2      ARG  16  -2.348  -3.947   4.905
  135    HD3  ARG  16           HD3      ARG  16  -3.281  -2.483   4.604
  136    HE   ARG  16           HE       ARG  16  -1.605  -2.887   2.416
  137   HH11  ARG  16          HH11      ARG  16  -4.308  -4.434   3.970
  138   HH12  ARG  16          HH12      ARG  16  -4.906  -5.148   2.510
  139   HH21  ARG  16          HH21      ARG  16  -2.380  -3.824   0.487
  140   HH22  ARG  16          HH22      ARG  16  -3.808  -4.802   0.530
  141    H    GLY  17           H        GLY  17   2.299  -4.452   6.468
  142    HA2  GLY  17           HA2      GLY  17   3.819  -5.726   4.667
  143    HA3  GLY  17           HA3      GLY  17   4.831  -4.339   5.048
  144    H    ARG  18           H        ARG  18   5.227  -3.990   7.434
  145    HA   ARG  18           HA       ARG  18   5.302  -6.520   8.918
  146    HB2  ARG  18           HB2      ARG  18   7.485  -6.304   7.867
  147    HB3  ARG  18           HB3      ARG  18   7.652  -4.668   8.492
  148    HG2  ARG  18           HG2      ARG  18   8.077  -5.381  10.633
  149    HG3  ARG  18           HG3      ARG  18   7.243  -6.919  10.399
  150    HD2  ARG  18           HD2      ARG  18   9.726  -7.106  10.558
  151    HD3  ARG  18           HD3      ARG  18   9.039  -7.771   9.077
  152    HE   ARG  18           HE       ARG  18   9.765  -5.115   8.592
  153   HH11  ARG  18          HH11      ARG  18  11.257  -8.180   9.301
  154   HH12  ARG  18          HH12      ARG  18  12.725  -7.808   8.460
  155   HH21  ARG  18          HH21      ARG  18  11.693  -4.613   7.483
  156   HH22  ARG  18          HH22      ARG  18  12.972  -5.778   7.427
  157    HN1  NH2  19           H1       NH2  19   4.696  -6.311  10.981
  158    HN2  NH2  19           H2       NH2  19   4.548  -4.865  11.878
  Start of MODEL   18
    1    H    PCA   1           H        PCA   1   1.264   0.114  -0.597
    2    HA   PCA   1           HA       PCA   1   1.477   2.341  -0.386
    3    HB2  PCA   1           HB2      PCA   1  -1.062   3.385   0.086
    4    HB3  PCA   1           HB3      PCA   1  -0.580   2.871  -1.540
    5    HG2  PCA   1           HG2      PCA   1  -2.088   1.241   0.577
    6    HG3  PCA   1           HG3      PCA   1  -2.453   1.393  -1.158
    7    H    CYS   2           H        CYS   2   0.374   3.999   1.318
    8    HA   CYS   2           HA       CYS   2   0.661   2.708   3.952
    9    HB2  CYS   2           HB2      CYS   2   1.552   5.495   3.181
   10    HB3  CYS   2           HB3      CYS   2   1.765   4.730   4.751
   11    H    ARG   3           H        ARG   3  -0.459   3.725   5.723
   12    HA   ARG   3           HA       ARG   3  -2.790   5.312   4.865
   13    HB2  ARG   3           HB2      ARG   3  -2.618   2.918   6.652
   14    HB3  ARG   3           HB3      ARG   3  -3.867   4.120   6.944
   15    HG2  ARG   3           HG2      ARG   3  -4.528   3.831   4.521
   16    HG3  ARG   3           HG3      ARG   3  -3.462   2.424   4.500
   17    HD2  ARG   3           HD2      ARG   3  -5.666   2.771   6.517
   18    HD3  ARG   3           HD3      ARG   3  -5.915   1.980   4.962
   19    HE   ARG   3           HE       ARG   3  -4.557   0.907   7.257
   20   HH11  ARG   3          HH11      ARG   3  -4.883   0.755   3.795
   21   HH12  ARG   3          HH12      ARG   3  -4.312  -0.876   3.682
   22   HH21  ARG   3          HH21      ARG   3  -3.802  -1.240   7.123
   23   HH22  ARG   3          HH22      ARG   3  -3.698  -2.011   5.576
   24    H    ARG   4           H        ARG   4  -3.332   7.057   6.077
   25    HA   ARG   4           HA       ARG   4  -1.588   7.653   8.375
   26    HB2  ARG   4           HB2      ARG   4  -1.606   9.112   6.202
   27    HB3  ARG   4           HB3      ARG   4  -3.096   9.763   6.874
   28    HG2  ARG   4           HG2      ARG   4  -1.803  10.293   8.961
   29    HG3  ARG   4           HG3      ARG   4  -0.342   9.860   8.072
   30    HD2  ARG   4           HD2      ARG   4  -0.624  12.240   7.965
   31    HD3  ARG   4           HD3      ARG   4  -0.944  11.566   6.368
   32    HE   ARG   4           HE       ARG   4  -3.297  11.916   7.987
   33   HH11  ARG   4          HH11      ARG   4  -1.118  13.409   5.720
   34   HH12  ARG   4          HH12      ARG   4  -2.277  14.575   5.176
   35   HH21  ARG   4          HH21      ARG   4  -4.831  13.446   7.279
   36   HH22  ARG   4          HH22      ARG   4  -4.389  14.596   6.062
   37    H    LEU   5           H        LEU   5  -2.487   7.909  10.317
   38    HA   LEU   5           HA       LEU   5  -5.389   8.383  10.466
   39    HB2  LEU   5           HB2      LEU   5  -3.830   6.626  12.351
   40    HB3  LEU   5           HB3      LEU   5  -5.575   6.862  12.304
   41    HG   LEU   5           HG       LEU   5  -4.262   5.723   9.892
   42   HD11  LEU   5          HD11      LEU   5  -3.174   4.332  11.399
   43   HD12  LEU   5          HD12      LEU   5  -4.645   3.438  11.015
   44   HD13  LEU   5          HD13      LEU   5  -4.528   4.333  12.531
   45   HD21  LEU   5          HD21      LEU   5  -6.413   5.531   9.375
   46   HD22  LEU   5          HD22      LEU   5  -6.904   6.010  11.000
   47   HD23  LEU   5          HD23      LEU   5  -6.555   4.316  10.647
   48    H    CYS   6           H        CYS   6  -5.888  10.151  11.566
   49    HA   CYS   6           HA       CYS   6  -3.949  11.172  13.537
   50    HB2  CYS   6           HB2      CYS   6  -5.781  12.612  11.627
   51    HB3  CYS   6           HB3      CYS   6  -5.109  13.415  13.043
   52    H    TYR   7           H        TYR   7  -4.602  11.240  15.580
   53    HA   TYR   7           HA       TYR   7  -7.309  11.872  16.303
   54    HB2  TYR   7           HB2      TYR   7  -7.102   9.299  15.746
   55    HB3  TYR   7           HB3      TYR   7  -6.400   9.227  17.358
   56    HD1  TYR   7           HD1      TYR   7  -7.870   8.612  19.014
   57    HD2  TYR   7           HD2      TYR   7  -9.335  10.901  15.740
   58    HE1  TYR   7           HE1      TYR   7 -10.124   8.565  19.997
   59    HE2  TYR   7           HE2      TYR   7 -11.593  10.860  16.715
   60    HH   TYR   7           HH       TYR   7 -12.807   9.073  18.471
   61    H    LYS   8           H        LYS   8  -7.442  12.683  18.340
   62    HA   LYS   8           HA       LYS   8  -6.694  13.675  20.251
   63    HB2  LYS   8           HB2      LYS   8  -5.194  11.058  20.474
   64    HB3  LYS   8           HB3      LYS   8  -5.434  12.199  21.791
   65    HG2  LYS   8           HG2      LYS   8  -7.764  11.801  21.837
   66    HG3  LYS   8           HG3      LYS   8  -7.713  10.922  20.307
   67    HD2  LYS   8           HD2      LYS   8  -7.821   9.195  21.834
   68    HD3  LYS   8           HD3      LYS   8  -6.079   9.344  21.590
   69    HE2  LYS   8           HE2      LYS   8  -6.289   9.218  23.902
   70    HE3  LYS   8           HE3      LYS   8  -6.151  10.949  23.599
   71    HZ1  LYS   8           HZ1      LYS   8  -8.334  11.309  24.113
   72    HZ2  LYS   8           HZ2      LYS   8  -8.001  10.021  25.158
   73    HZ3  LYS   8           HZ3      LYS   8  -8.822   9.741  23.705
   74    H    GLN   9           H        GLN   9  -5.294  14.461  17.962
   75    HA   GLN   9           HA       GLN   9  -3.450  15.642  17.351
   76    HB2  GLN   9           HB2      GLN   9  -2.530  15.441  20.214
   77    HB3  GLN   9           HB3      GLN   9  -2.135  16.688  19.038
   78    HG2  GLN   9           HG2      GLN   9  -4.734  17.070  19.059
   79    HG3  GLN   9           HG3      GLN   9  -4.606  16.303  20.641
   80   HE21  GLN   9          HE21      GLN   9  -4.372  19.171  18.937
   81   HE22  GLN   9          HE22      GLN   9  -3.621  20.139  20.154
   82    H    ARG  10           H        ARG  10  -3.428  12.784  17.164
   83    HA   ARG  10           HA       ARG  10  -0.523  12.329  17.287
   84    HB2  ARG  10           HB2      ARG  10  -1.831  11.069  19.059
   85    HB3  ARG  10           HB3      ARG  10  -2.578  10.170  17.746
   86    HG2  ARG  10           HG2      ARG  10  -0.901   8.731  18.109
   87    HG3  ARG  10           HG3      ARG  10   0.031   9.863  17.126
   88    HD2  ARG  10           HD2      ARG  10   0.511  11.055  19.364
   89    HD3  ARG  10           HD3      ARG  10  -0.023   9.548  20.107
   90    HE   ARG  10           HE       ARG  10   1.846   8.809  18.238
   91   HH11  ARG  10          HH11      ARG  10   1.778  10.897  21.023
   92   HH12  ARG  10          HH12      ARG  10   3.452  10.658  21.406
   93   HH21  ARG  10          HH21      ARG  10   4.049   8.485  18.732
   94   HH22  ARG  10          HH22      ARG  10   4.742   9.286  20.101
   95    H    CYS  11           H        CYS  11   0.070  12.459  15.211
   96    HA   CYS  11           HA       CYS  11  -1.520  10.976  13.220
   97    HB2  CYS  11           HB2      CYS  11   0.238  13.413  12.891
   98    HB3  CYS  11           HB3      CYS  11  -0.431  12.502  11.541
   99    H    VAL  12           H        VAL  12  -0.595   9.315  12.204
  100    HA   VAL  12           HA       VAL  12   2.313   9.150  12.016
  101    HB   VAL  12           HB       VAL  12   2.202   6.722  12.745
  102   HG11  VAL  12          HG11      VAL  12   3.235   8.428  14.123
  103   HG12  VAL  12          HG12      VAL  12   1.664   8.871  14.792
  104   HG13  VAL  12          HG13      VAL  12   2.354   7.284  15.135
  105   HG21  VAL  12          HG21      VAL  12  -0.277   7.507  14.233
  106   HG22  VAL  12          HG22      VAL  12  -0.378   6.789  12.626
  107   HG23  VAL  12          HG23      VAL  12   0.386   5.899  13.943
  108    H    THR  13           H        THR  13   3.061   7.722  10.397
  109    HA   THR  13           HA       THR  13   0.994   6.997   8.430
  110    HB   THR  13           HB       THR  13   3.707   6.962   7.396
  111    HG1  THR  13           HG1      THR  13   4.395   8.763   8.252
  112   HG21  THR  13          HG21      THR  13   1.262   8.587   6.680
  113   HG22  THR  13          HG22      THR  13   1.686   7.011   6.013
  114   HG23  THR  13          HG23      THR  13   2.709   8.409   5.690
  115    H    TYR  14           H        TYR  14   0.497   4.905   8.703
  116    HA   TYR  14           HA       TYR  14   2.639   2.982   9.244
  117    HB2  TYR  14           HB2      TYR  14  -0.299   3.027   9.690
  118    HB3  TYR  14           HB3      TYR  14   0.439   1.462   9.368
  119    HD1  TYR  14           HD1      TYR  14   1.150   0.238  11.186
  120    HD2  TYR  14           HD2      TYR  14   1.040   4.480  11.496
  121    HE1  TYR  14           HE1      TYR  14   1.845   0.078  13.541
  122    HE2  TYR  14           HE2      TYR  14   1.736   4.332  13.851
  123    HH   TYR  14           HH       TYR  14   2.246   1.188  15.422
  124    H    CYS  15           H        CYS  15   3.426   1.725   7.695
  125    HA   CYS  15           HA       CYS  15   1.905   1.483   5.183
  126    HB2  CYS  15           HB2      CYS  15   4.893   1.192   5.550
  127    HB3  CYS  15           HB3      CYS  15   4.013   1.235   4.025
  128    H    ARG  16           H        ARG  16   2.243  -0.544   3.974
  129    HA   ARG  16           HA       ARG  16   1.566  -2.787   5.451
  130    HB2  ARG  16           HB2      ARG  16   2.237  -4.078   3.380
  131    HB3  ARG  16           HB3      ARG  16   1.076  -2.781   3.129
  132    HG2  ARG  16           HG2      ARG  16   2.503  -1.559   1.880
  133    HG3  ARG  16           HG3      ARG  16   3.919  -2.069   2.800
  134    HD2  ARG  16           HD2      ARG  16   4.419  -3.494   1.172
  135    HD3  ARG  16           HD3      ARG  16   2.927  -4.367   1.518
  136    HE   ARG  16           HE       ARG  16   3.426  -2.587  -0.688
  137   HH11  ARG  16          HH11      ARG  16   0.999  -4.070   1.318
  138   HH12  ARG  16          HH12      ARG  16  -0.258  -3.918   0.137
  139   HH21  ARG  16          HH21      ARG  16   1.779  -2.381  -2.252
  140   HH22  ARG  16          HH22      ARG  16   0.188  -2.958  -1.896
  141    H    GLY  17           H        GLY  17   2.686  -4.641   6.107
  142    HA2  GLY  17           HA2      GLY  17   5.580  -4.713   5.875
  143    HA3  GLY  17           HA3      GLY  17   4.966  -4.458   7.500
  144    H    ARG  18           H        ARG  18   5.761  -6.745   5.149
  145    HA   ARG  18           HA       ARG  18   4.485  -8.871   6.743
  146    HB2  ARG  18           HB2      ARG  18   3.701  -8.414   4.278
  147    HB3  ARG  18           HB3      ARG  18   5.174  -9.278   3.860
  148    HG2  ARG  18           HG2      ARG  18   4.336 -11.127   5.391
  149    HG3  ARG  18           HG3      ARG  18   2.785 -10.288   5.361
  150    HD2  ARG  18           HD2      ARG  18   3.159 -10.356   2.765
  151    HD3  ARG  18           HD3      ARG  18   4.228 -11.699   3.166
  152    HE   ARG  18           HE       ARG  18   1.364 -11.694   3.233
  153   HH11  ARG  18          HH11      ARG  18   4.232 -13.121   4.596
  154   HH12  ARG  18          HH12      ARG  18   3.441 -14.595   5.050
  155   HH21  ARG  18          HH21      ARG  18   0.313 -13.629   3.825
  156   HH22  ARG  18          HH22      ARG  18   1.212 -14.882   4.610
  157    HN1  NH2  19           H1       NH2  19   7.171  -8.219   4.491
  158    HN2  NH2  19           H2       NH2  19   8.329  -9.242   5.217
  Start of MODEL   19
    1    H    PCA   1           H        PCA   1   1.330  -0.553  -0.063
    2    HA   PCA   1           HA       PCA   1   1.103   1.672  -0.262
    3    HB2  PCA   1           HB2      PCA   1  -1.538   2.306   0.356
    4    HB3  PCA   1           HB3      PCA   1  -1.118   1.588  -1.209
    5    HG2  PCA   1           HG2      PCA   1  -2.054   0.146   1.331
    6    HG3  PCA   1           HG3      PCA   1  -2.605  -0.107  -0.342
    7    H    CYS   2           H        CYS   2   0.039   3.445   1.233
    8    HA   CYS   2           HA       CYS   2   0.663   2.711   4.019
    9    HB2  CYS   2           HB2      CYS   2   1.324   5.291   2.581
   10    HB3  CYS   2           HB3      CYS   2   1.602   4.987   4.292
   11    H    ARG   3           H        ARG   3  -0.351   4.054   5.661
   12    HA   ARG   3           HA       ARG   3  -2.743   5.497   4.778
   13    HB2  ARG   3           HB2      ARG   3  -2.653   3.052   6.486
   14    HB3  ARG   3           HB3      ARG   3  -3.835   4.294   6.873
   15    HG2  ARG   3           HG2      ARG   3  -4.367   4.112   4.299
   16    HG3  ARG   3           HG3      ARG   3  -3.662   2.508   4.509
   17    HD2  ARG   3           HD2      ARG   3  -5.890   2.098   4.934
   18    HD3  ARG   3           HD3      ARG   3  -5.261   2.375   6.557
   19    HE   ARG   3           HE       ARG   3  -6.577   4.235   6.702
   20   HH11  ARG   3          HH11      ARG   3  -6.263   3.337   3.353
   21   HH12  ARG   3          HH12      ARG   3  -7.412   4.507   2.797
   22   HH21  ARG   3          HH21      ARG   3  -8.093   5.780   5.980
   23   HH22  ARG   3          HH22      ARG   3  -8.452   5.896   4.291
   24    H    ARG   4           H        ARG   4  -3.316   7.206   6.056
   25    HA   ARG   4           HA       ARG   4  -1.533   7.769   8.331
   26    HB2  ARG   4           HB2      ARG   4  -1.204   9.390   6.599
   27    HB3  ARG   4           HB3      ARG   4  -2.936   9.623   6.408
   28    HG2  ARG   4           HG2      ARG   4  -3.102  10.963   8.242
   29    HG3  ARG   4           HG3      ARG   4  -1.742  10.197   9.063
   30    HD2  ARG   4           HD2      ARG   4  -0.475  11.905   8.419
   31    HD3  ARG   4           HD3      ARG   4  -0.667  11.354   6.756
   32    HE   ARG   4           HE       ARG   4  -1.956  13.611   8.001
   33   HH11  ARG   4          HH11      ARG   4  -2.066  11.301   5.398
   34   HH12  ARG   4          HH12      ARG   4  -3.039  12.305   4.375
   35   HH21  ARG   4          HH21      ARG   4  -3.238  14.942   6.663
   36   HH22  ARG   4          HH22      ARG   4  -3.705  14.376   5.095
   37    H    LEU   5           H        LEU   5  -2.401   7.903  10.293
   38    HA   LEU   5           HA       LEU   5  -5.311   8.310  10.511
   39    HB2  LEU   5           HB2      LEU   5  -3.627   6.653  12.376
   40    HB3  LEU   5           HB3      LEU   5  -5.383   6.803  12.365
   41    HG   LEU   5           HG       LEU   5  -4.039   5.691   9.951
   42   HD11  LEU   5          HD11      LEU   5  -4.737   3.539  11.654
   43   HD12  LEU   5          HD12      LEU   5  -3.654   4.605  12.549
   44   HD13  LEU   5          HD13      LEU   5  -3.154   3.949  10.991
   45   HD21  LEU   5          HD21      LEU   5  -6.614   5.027  11.377
   46   HD22  LEU   5          HD22      LEU   5  -6.090   4.406   9.811
   47   HD23  LEU   5          HD23      LEU   5  -6.461   6.121  10.002
   48    H    CYS   6           H        CYS   6  -5.863  10.070  11.600
   49    HA   CYS   6           HA       CYS   6  -3.952  11.174  13.554
   50    HB2  CYS   6           HB2      CYS   6  -5.779  12.560  11.601
   51    HB3  CYS   6           HB3      CYS   6  -5.122  13.392  13.005
   52    H    TYR   7           H        TYR   7  -4.641  11.356  15.583
   53    HA   TYR   7           HA       TYR   7  -7.350  11.956  16.264
   54    HB2  TYR   7           HB2      TYR   7  -7.139   9.369  15.720
   55    HB3  TYR   7           HB3      TYR   7  -6.498   9.311  17.358
   56    HD1  TYR   7           HD1      TYR   7  -8.016   8.803  19.007
   57    HD2  TYR   7           HD2      TYR   7  -9.373  10.910  15.570
   58    HE1  TYR   7           HE1      TYR   7 -10.305   8.783  19.906
   59    HE2  TYR   7           HE2      TYR   7 -11.666  10.897  16.460
   60    HH   TYR   7           HH       TYR   7 -13.032   9.893  18.013
   61    H    LYS   8           H        LYS   8  -7.496  12.796  18.285
   62    HA   LYS   8           HA       LYS   8  -6.763  13.788  20.201
   63    HB2  LYS   8           HB2      LYS   8  -5.385  11.109  20.445
   64    HB3  LYS   8           HB3      LYS   8  -5.498  12.281  21.751
   65    HG2  LYS   8           HG2      LYS   8  -8.044  12.140  21.348
   66    HG3  LYS   8           HG3      LYS   8  -7.660  10.645  20.491
   67    HD2  LYS   8           HD2      LYS   8  -6.619  11.148  23.259
   68    HD3  LYS   8           HD3      LYS   8  -8.249  10.519  23.002
   69    HE2  LYS   8           HE2      LYS   8  -7.055   8.569  23.208
   70    HE3  LYS   8           HE3      LYS   8  -7.019   8.801  21.461
   71    HZ1  LYS   8           HZ1      LYS   8  -4.821   9.048  21.481
   72    HZ2  LYS   8           HZ2      LYS   8  -4.853   8.428  23.053
   73    HZ3  LYS   8           HZ3      LYS   8  -4.847  10.101  22.805
   74    H    GLN   9           H        GLN   9  -5.306  14.528  17.937
   75    HA   GLN   9           HA       GLN   9  -3.425  15.666  17.352
   76    HB2  GLN   9           HB2      GLN   9  -2.563  15.459  20.234
   77    HB3  GLN   9           HB3      GLN   9  -2.113  16.687  19.058
   78    HG2  GLN   9           HG2      GLN   9  -4.783  16.296  20.377
   79    HG3  GLN   9           HG3      GLN   9  -3.676  17.656  20.553
   80   HE21  GLN   9          HE21      GLN   9  -3.733  19.291  19.104
   81   HE22  GLN   9          HE22      GLN   9  -4.845  19.379  17.786
   82    H    ARG  10           H        ARG  10  -3.462  12.808  17.178
   83    HA   ARG  10           HA       ARG  10  -0.572  12.288  17.356
   84    HB2  ARG  10           HB2      ARG  10  -1.866  11.059  19.119
   85    HB3  ARG  10           HB3      ARG  10  -2.723  10.221  17.832
   86    HG2  ARG  10           HG2      ARG  10  -0.838   9.030  17.179
   87    HG3  ARG  10           HG3      ARG  10   0.265  10.154  17.977
   88    HD2  ARG  10           HD2      ARG  10   0.294   8.785  19.727
   89    HD3  ARG  10           HD3      ARG  10  -1.405   9.174  19.997
   90    HE   ARG  10           HE       ARG  10  -0.330   6.743  18.885
   91   HH11  ARG  10          HH11      ARG  10  -3.128   8.797  19.159
   92   HH12  ARG  10          HH12      ARG  10  -4.256   7.524  18.829
   93   HH21  ARG  10          HH21      ARG  10  -1.808   5.059  18.450
   94   HH22  ARG  10          HH22      ARG  10  -3.504   5.399  18.428
   95    H    CYS  11           H        CYS  11   0.002  12.479  15.265
   96    HA   CYS  11           HA       CYS  11  -1.555  10.973  13.268
   97    HB2  CYS  11           HB2      CYS  11   0.206  13.409  12.948
   98    HB3  CYS  11           HB3      CYS  11  -0.460  12.500  11.596
   99    H    VAL  12           H        VAL  12  -0.616   9.313  12.262
  100    HA   VAL  12           HA       VAL  12   2.294   9.153  12.099
  101    HB   VAL  12           HB       VAL  12   2.194   6.734  12.836
  102   HG11  VAL  12          HG11      VAL  12   1.426   8.372  15.183
  103   HG12  VAL  12          HG12      VAL  12   2.823   7.322  14.939
  104   HG13  VAL  12          HG13      VAL  12   2.791   8.931  14.218
  105   HG21  VAL  12          HG21      VAL  12   0.348   6.075  14.290
  106   HG22  VAL  12          HG22      VAL  12  -0.461   7.610  13.974
  107   HG23  VAL  12          HG23      VAL  12  -0.231   6.449  12.666
  108    H    THR  13           H        THR  13   3.060   7.744  10.479
  109    HA   THR  13           HA       THR  13   1.001   6.962   8.522
  110    HB   THR  13           HB       THR  13   3.721   7.078   7.480
  111    HG1  THR  13           HG1      THR  13   3.672   9.465   7.535
  112   HG21  THR  13          HG21      THR  13   2.619   8.442   5.754
  113   HG22  THR  13          HG22      THR  13   1.151   8.478   6.731
  114   HG23  THR  13          HG23      THR  13   1.735   6.951   6.072
  115    H    TYR  14           H        TYR  14   0.618   4.846   8.662
  116    HA   TYR  14           HA       TYR  14   2.890   3.028   9.098
  117    HB2  TYR  14           HB2      TYR  14   0.027   2.948   9.897
  118    HB3  TYR  14           HB3      TYR  14   0.796   1.414   9.508
  119    HD1  TYR  14           HD1      TYR  14   3.401   1.481  10.581
  120    HD2  TYR  14           HD2      TYR  14  -0.117   3.270  12.172
  121    HE1  TYR  14           HE1      TYR  14   4.384   1.398  12.834
  122    HE2  TYR  14           HE2      TYR  14   0.857   3.193  14.428
  123    HH   TYR  14           HH       TYR  14   3.855   1.523  15.081
  124    H    CYS  15           H        CYS  15   3.513   1.731   7.502
  125    HA   CYS  15           HA       CYS  15   1.729   1.437   5.176
  126    HB2  CYS  15           HB2      CYS  15   4.738   1.157   5.194
  127    HB3  CYS  15           HB3      CYS  15   3.681   1.230   3.787
  128    H    ARG  16           H        ARG  16   1.642  -0.590   4.112
  129    HA   ARG  16           HA       ARG  16   1.522  -2.815   5.818
  130    HB2  ARG  16           HB2      ARG  16   1.400  -2.467   2.841
  131    HB3  ARG  16           HB3      ARG  16   1.431  -4.080   3.542
  132    HG2  ARG  16           HG2      ARG  16  -0.585  -1.985   4.309
  133    HG3  ARG  16           HG3      ARG  16  -0.845  -3.166   3.023
  134    HD2  ARG  16           HD2      ARG  16  -0.283  -4.931   4.793
  135    HD3  ARG  16           HD3      ARG  16  -0.518  -3.638   5.970
  136    HE   ARG  16           HE       ARG  16  -2.553  -5.013   4.475
  137   HH11  ARG  16          HH11      ARG  16  -1.733  -2.102   6.197
  138   HH12  ARG  16          HH12      ARG  16  -3.380  -1.692   6.549
  139   HH21  ARG  16          HH21      ARG  16  -4.724  -4.484   4.931
  140   HH22  ARG  16          HH22      ARG  16  -5.080  -3.047   5.829
  141    H    GLY  17           H        GLY  17   2.927  -4.410   6.312
  142    HA2  GLY  17           HA2      GLY  17   5.152  -5.179   4.774
  143    HA3  GLY  17           HA3      GLY  17   5.688  -4.019   5.980
  144    H    ARG  18           H        ARG  18   7.004  -5.820   6.755
  145    HA   ARG  18           HA       ARG  18   5.863  -8.176   7.812
  146    HB2  ARG  18           HB2      ARG  18   8.329  -7.659   7.250
  147    HB3  ARG  18           HB3      ARG  18   8.397  -6.935   8.852
  148    HG2  ARG  18           HG2      ARG  18   7.665  -9.094   9.813
  149    HG3  ARG  18           HG3      ARG  18   7.736  -9.797   8.195
  150    HD2  ARG  18           HD2      ARG  18   9.803 -10.374   9.020
  151    HD3  ARG  18           HD3      ARG  18  10.173  -8.848   8.216
  152    HE   ARG  18           HE       ARG  18  10.719  -7.980  10.251
  153   HH11  ARG  18          HH11      ARG  18   8.681 -10.759  10.743
  154   HH12  ARG  18          HH12      ARG  18   8.834 -10.729  12.469
  155   HH21  ARG  18          HH21      ARG  18  10.929  -7.929  12.521
  156   HH22  ARG  18          HH22      ARG  18  10.113  -9.118  13.479
  157    HN1  NH2  19           H1       NH2  19   5.594  -8.787  10.028
  158    HN2  NH2  19           H2       NH2  19   5.166  -7.667  11.243
  Start of MODEL   20
    1    H    PCA   1           H        PCA   1   1.334  -0.586  -0.117
    2    HA   PCA   1           HA       PCA   1   0.932   1.618  -0.288
    3    HB2  PCA   1           HB2      PCA   1  -1.749   2.034   0.338
    4    HB3  PCA   1           HB3      PCA   1  -1.278   1.370  -1.235
    5    HG2  PCA   1           HG2      PCA   1  -2.094  -0.174   1.285
    6    HG3  PCA   1           HG3      PCA   1  -2.626  -0.446  -0.389
    7    H    CYS   2           H        CYS   2   0.119   3.355   1.171
    8    HA   CYS   2           HA       CYS   2   0.624   2.598   3.975
    9    HB2  CYS   2           HB2      CYS   2   1.345   5.165   2.544
   10    HB3  CYS   2           HB3      CYS   2   1.608   4.851   4.257
   11    H    ARG   3           H        ARG   3  -0.324   4.062   5.598
   12    HA   ARG   3           HA       ARG   3  -2.672   5.553   4.712
   13    HB2  ARG   3           HB2      ARG   3  -2.733   3.135   6.499
   14    HB3  ARG   3           HB3      ARG   3  -3.968   4.381   6.618
   15    HG2  ARG   3           HG2      ARG   3  -4.089   3.974   4.000
   16    HG3  ARG   3           HG3      ARG   3  -3.472   2.393   4.482
   17    HD2  ARG   3           HD2      ARG   3  -5.832   2.214   4.472
   18    HD3  ARG   3           HD3      ARG   3  -5.347   2.307   6.165
   19    HE   ARG   3           HE       ARG   3  -6.455   4.306   6.340
   20   HH11  ARG   3          HH11      ARG   3  -6.081   3.486   2.978
   21   HH12  ARG   3          HH12      ARG   3  -7.113   4.760   2.418
   22   HH21  ARG   3          HH21      ARG   3  -7.815   5.988   5.616
   23   HH22  ARG   3          HH22      ARG   3  -8.097   6.184   3.918
   24    H    ARG   4           H        ARG   4  -3.238   7.226   6.051
   25    HA   ARG   4           HA       ARG   4  -1.507   7.633   8.402
   26    HB2  ARG   4           HB2      ARG   4  -1.142   9.209   6.493
   27    HB3  ARG   4           HB3      ARG   4  -2.798   9.764   6.693
   28    HG2  ARG   4           HG2      ARG   4  -2.340  10.751   8.766
   29    HG3  ARG   4           HG3      ARG   4  -0.821   9.869   8.943
   30    HD2  ARG   4           HD2      ARG   4  -1.151  11.700   6.618
   31    HD3  ARG   4           HD3      ARG   4  -0.865  12.402   8.210
   32    HE   ARG   4           HE       ARG   4   1.059  10.487   7.959
   33   HH11  ARG   4          HH11      ARG   4   0.078  13.244   6.074
   34   HH12  ARG   4          HH12      ARG   4   1.667  13.548   5.453
   35   HH21  ARG   4          HH21      ARG   4   3.156  10.877   7.148
   36   HH22  ARG   4          HH22      ARG   4   3.416  12.201   6.064
   37    H    LEU   5           H        LEU   5  -2.447   7.908  10.328
   38    HA   LEU   5           HA       LEU   5  -5.339   8.464  10.399
   39    HB2  LEU   5           HB2      LEU   5  -3.869   6.675  12.322
   40    HB3  LEU   5           HB3      LEU   5  -5.608   6.945  12.226
   41    HG   LEU   5           HG       LEU   5  -4.234   5.778   9.858
   42   HD11  LEU   5          HD11      LEU   5  -3.443   4.021  10.952
   43   HD12  LEU   5          HD12      LEU   5  -5.094   3.618  11.423
   44   HD13  LEU   5          HD13      LEU   5  -4.096   4.618  12.478
   45   HD21  LEU   5          HD21      LEU   5  -6.436   4.432   9.986
   46   HD22  LEU   5          HD22      LEU   5  -6.500   6.124   9.494
   47   HD23  LEU   5          HD23      LEU   5  -6.938   5.666  11.141
   48    H    CYS   6           H        CYS   6  -5.912  10.149  11.608
   49    HA   CYS   6           HA       CYS   6  -3.969  11.175  13.573
   50    HB2  CYS   6           HB2      CYS   6  -5.793  12.635  11.672
   51    HB3  CYS   6           HB3      CYS   6  -5.132  13.420  13.102
   52    H    TYR   7           H        TYR   7  -4.636  11.214  15.612
   53    HA   TYR   7           HA       TYR   7  -7.356  11.819  16.319
   54    HB2  TYR   7           HB2      TYR   7  -7.104   9.246  15.755
   55    HB3  TYR   7           HB3      TYR   7  -6.424   9.184  17.377
   56    HD1  TYR   7           HD1      TYR   7  -7.885   8.663  19.076
   57    HD2  TYR   7           HD2      TYR   7  -9.381  10.700  15.652
   58    HE1  TYR   7           HE1      TYR   7 -10.153   8.582  20.025
   59    HE2  TYR   7           HE2      TYR   7 -11.653  10.626  16.593
   60    HH   TYR   7           HH       TYR   7 -12.405   8.765  19.432
   61    H    LYS   8           H        LYS   8  -7.511  12.629  18.354
   62    HA   LYS   8           HA       LYS   8  -6.788  13.624  20.273
   63    HB2  LYS   8           HB2      LYS   8  -5.377  10.962  20.453
   64    HB3  LYS   8           HB3      LYS   8  -5.408  12.128  21.770
   65    HG2  LYS   8           HG2      LYS   8  -7.842  11.984  21.848
   66    HG3  LYS   8           HG3      LYS   8  -7.819  10.825  20.517
   67    HD2  LYS   8           HD2      LYS   8  -8.026   9.562  22.515
   68    HD3  LYS   8           HD3      LYS   8  -6.359   9.365  21.966
   69    HE2  LYS   8           HE2      LYS   8  -5.600  11.006  23.571
   70    HE3  LYS   8           HE3      LYS   8  -7.260  11.338  24.063
   71    HZ1  LYS   8           HZ1      LYS   8  -5.939   9.806  25.539
   72    HZ2  LYS   8           HZ2      LYS   8  -6.045   8.650  24.310
   73    HZ3  LYS   8           HZ3      LYS   8  -7.453   9.231  25.046
   74    H    GLN   9           H        GLN   9  -5.376  14.427  17.998
   75    HA   GLN   9           HA       GLN   9  -3.538  15.627  17.405
   76    HB2  GLN   9           HB2      GLN   9  -2.654  15.425  20.281
   77    HB3  GLN   9           HB3      GLN   9  -2.235  16.669  19.111
   78    HG2  GLN   9           HG2      GLN   9  -4.610  17.369  19.077
   79    HG3  GLN   9           HG3      GLN   9  -4.932  16.200  20.357
   80   HE21  GLN   9          HE21      GLN   9  -5.327  19.023  20.474
   81   HE22  GLN   9          HE22      GLN   9  -4.308  19.633  21.729
   82    H    ARG  10           H        ARG  10  -3.490  12.770  17.211
   83    HA   ARG  10           HA       ARG  10  -0.582  12.340  17.358
   84    HB2  ARG  10           HB2      ARG  10  -1.873  11.063  19.118
   85    HB3  ARG  10           HB3      ARG  10  -2.633  10.173  17.806
   86    HG2  ARG  10           HG2      ARG  10  -0.957   8.727  18.165
   87    HG3  ARG  10           HG3      ARG  10  -0.039   9.849  17.159
   88    HD2  ARG  10           HD2      ARG  10   0.790  10.981  19.144
   89    HD3  ARG  10           HD3      ARG  10  -0.177   9.925  20.171
   90    HE   ARG  10           HE       ARG  10   1.489   8.335  18.578
   91   HH11  ARG  10          HH11      ARG  10   1.703  10.628  21.189
   92   HH12  ARG  10          HH12      ARG  10   3.148   9.939  21.850
   93   HH21  ARG  10          HH21      ARG  10   3.393   7.418  19.440
   94   HH22  ARG  10          HH22      ARG  10   4.109   8.113  20.853
   95    H    CYS  11           H        CYS  11   0.035  12.466  15.289
   96    HA   CYS  11           HA       CYS  11  -1.527  10.980  13.281
   97    HB2  CYS  11           HB2      CYS  11   0.220  13.425  12.961
   98    HB3  CYS  11           HB3      CYS  11  -0.454  12.518  11.612
   99    H    VAL  12           H        VAL  12  -0.576   9.328  12.270
  100    HA   VAL  12           HA       VAL  12   2.335   9.192  12.106
  101    HB   VAL  12           HB       VAL  12   2.244   6.764  12.833
  102   HG11  VAL  12          HG11      VAL  12   1.499   8.493  15.144
  103   HG12  VAL  12          HG12      VAL  12   2.808   7.320  14.988
  104   HG13  VAL  12          HG13      VAL  12   2.935   8.893  14.200
  105   HG21  VAL  12          HG21      VAL  12   0.397   6.169  14.367
  106   HG22  VAL  12          HG22      VAL  12  -0.431   7.655  13.905
  107   HG23  VAL  12          HG23      VAL  12  -0.138   6.399  12.704
  108    H    THR  13           H        THR  13   3.110   7.773  10.492
  109    HA   THR  13           HA       THR  13   1.070   7.048   8.498
  110    HB   THR  13           HB       THR  13   3.809   7.007   7.522
  111    HG1  THR  13           HG1      THR  13   4.345   8.714   8.735
  112   HG21  THR  13          HG21      THR  13   1.323   8.534   6.742
  113   HG22  THR  13          HG22      THR  13   1.894   7.019   6.044
  114   HG23  THR  13          HG23      THR  13   2.818   8.503   5.808
  115    H    TYR  14           H        TYR  14   0.568   4.956   8.672
  116    HA   TYR  14           HA       TYR  14   2.716   3.023   9.207
  117    HB2  TYR  14           HB2      TYR  14  -0.193   3.095   9.814
  118    HB3  TYR  14           HB3      TYR  14   0.514   1.521   9.464
  119    HD1  TYR  14           HD1      TYR  14   2.873   1.162  10.747
  120    HD2  TYR  14           HD2      TYR  14  -0.298   3.691  12.033
  121    HE1  TYR  14           HE1      TYR  14   3.700   1.015  13.059
  122    HE2  TYR  14           HE2      TYR  14   0.521   3.552  14.348
  123    HH   TYR  14           HH       TYR  14   1.927   1.850  15.704
  124    H    CYS  15           H        CYS  15   3.394   1.725   7.637
  125    HA   CYS  15           HA       CYS  15   1.739   1.489   5.210
  126    HB2  CYS  15           HB2      CYS  15   4.742   1.207   5.442
  127    HB3  CYS  15           HB3      CYS  15   3.801   1.167   3.956
  128    H    ARG  16           H        ARG  16   1.115  -0.474   4.551
  129    HA   ARG  16           HA       ARG  16   1.292  -2.711   6.214
  130    HB2  ARG  16           HB2      ARG  16   0.728  -2.632   3.244
  131    HB3  ARG  16           HB3      ARG  16   0.372  -3.977   4.318
  132    HG2  ARG  16           HG2      ARG  16  -1.021  -2.223   5.630
  133    HG3  ARG  16           HG3      ARG  16  -0.958  -1.316   4.118
  134    HD2  ARG  16           HD2      ARG  16  -1.770  -4.195   4.122
  135    HD3  ARG  16           HD3      ARG  16  -2.934  -2.944   4.558
  136    HE   ARG  16           HE       ARG  16  -1.626  -2.324   2.114
  137   HH11  ARG  16          HH11      ARG  16  -4.097  -4.348   3.498
  138   HH12  ARG  16          HH12      ARG  16  -4.993  -4.488   2.021
  139   HH21  ARG  16          HH21      ARG  16  -2.795  -2.502   0.163
  140   HH22  ARG  16          HH22      ARG  16  -4.251  -3.438   0.125
  141    H    GLY  17           H        GLY  17   2.560  -4.536   6.223
  142    HA2  GLY  17           HA2      GLY  17   5.025  -4.358   4.608
  143    HA3  GLY  17           HA3      GLY  17   4.930  -5.090   6.203
  144    H    ARG  18           H        ARG  18   4.707  -7.229   6.316
  145    HA   ARG  18           HA       ARG  18   4.483  -8.737   3.863
  146    HB2  ARG  18           HB2      ARG  18   4.796  -9.646   6.731
  147    HB3  ARG  18           HB3      ARG  18   4.860 -10.702   5.326
  148    HG2  ARG  18           HG2      ARG  18   6.718  -8.371   5.553
  149    HG3  ARG  18           HG3      ARG  18   7.059  -9.885   6.394
  150    HD2  ARG  18           HD2      ARG  18   7.395 -11.048   4.447
  151    HD3  ARG  18           HD3      ARG  18   6.340  -9.993   3.509
  152    HE   ARG  18           HE       ARG  18   8.534  -8.478   4.282
  153   HH11  ARG  18          HH11      ARG  18   7.875 -11.277   2.321
  154   HH12  ARG  18          HH12      ARG  18   9.206 -10.998   1.246
  155   HH21  ARG  18          HH21      ARG  18  10.288  -8.100   2.875
  156   HH22  ARG  18          HH22      ARG  18  10.577  -9.190   1.562
  157    HN1  NH2  19           H1       NH2  19   2.445  -8.730   3.064
  158    HN2  NH2  19           H2       NH2  19   1.041  -9.285   3.863