*HEADER    TOXIN                                   25-JUL-19   6PX8              
*TITLE     DG3B IN WEAPONISATION 'ON THE FLY': CONVERGENT RECRUITMENT OF KNOTTIN 
*TITLE    2 AND DEFENSIN SCAFFOLDS AS NEUROTOXINS IN THE VENOM OF ASSASSIN FLY   
*TITLE    3 DOLOPUS GENITALIS (DIPTERA: ASILIDAE)                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VENOM POLYPEPTIDE;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DOLOPUS GENITALIS;                              
*SOURCE   3 ORGANISM_TAXID: 2488630;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    DISULFIDE-RICH, ASSASSIN-FLY, DEFENSIN, ULTRA-STABLE PEPTIDE, TOXIN   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.J.AGWA,C.SCHROEDER                                                  
*REVDAT   1   22-JAN-20 6PX8    0                                                
# Restraints file 1: Dg3b_4.prot
   1 999.000 0.000 N       1
   2  43.020 0.000 CA      1
   3 999.000 0.000 HA3     1
   4 999.000 0.000 HA2     1
   5   3.851 0.007 QA      1
   6 999.000 0.000 C       1
   7 116.747 0.000 N       2
   8   8.479 0.001 H      2
   9  62.589 0.000 CA      2
  10   4.287 0.003 HA      2
  11  38.988 0.000 CB      2
  12   1.798 0.003 HB      2
  13   0.794 0.003 QG2     2
  14  17.394 0.000 CG2     2
  15 999.000 0.000 HG21    2
  16 999.000 0.000 HG22    2
  17 999.000 0.000 HG23    2
  18  27.064 0.018 CG1     2
  19   1.263 0.002 HG12    2
  20   1.050 0.005 HG13    2
  21 999.000 0.000 QG1     2
  22   0.718 0.005 QD1     2
  23  12.911 0.000 CD1     2
  24 999.000 0.000 HD11    2
  25 999.000 0.000 HD12    2
  26 999.000 0.000 HD13    2
  27 999.000 0.000 C       2
  28 117.859 0.000 N       3
  29   8.174 0.002 H      3
  30  58.417 0.000 CA      3
  31   4.306 0.006 HA      3
  32  69.856 0.000 CB      3
  33   4.073 0.004 HB      3
  34   1.113 0.002 QG2     3
  35 999.000 0.000 OG1     3
  36 999.000 0.000 HG1     3
  37  21.830 0.000 CG2     3
  38 999.000 0.000 HG21    3
  39 999.000 0.000 HG22    3
  40 999.000 0.000 HG23    3
  41 999.000 0.000 C       3
  42 119.163 0.000 N       4
  43   8.483 0.001 H      4
  44  54.807 0.000 CA      4
  45   4.805 0.001 HA      4
  46  41.992 0.012 CB      4
  47   3.137 0.003 HB2     4
  48   2.937 0.002 HB3     4
  49 999.000 0.000 QB      4
  50 999.000 0.000 SG      4
  51 999.000 0.000 C       4
  52 119.203 0.000 N       5
  53   8.347 0.003 H      5
  54  54.447 0.000 CA      5
  55   4.579 0.004 HA      5
  56  40.254 0.000 CB      5
  57 999.000 0.000 HB2     5
  58 999.000 0.000 HB3     5
  59   2.793 0.006 QB      5
  60 999.000 0.000 CG      5
  61 999.000 0.000 OD1     5
  62 999.000 0.000 OD2     5
  63 999.000 0.000 C       5
  64 119.968 0.000 N       6
  65   8.001 0.002 H      6
  66  54.727 0.000 CA      6
  67   4.452 0.004 HA      6
  68  42.910 0.000 CB      6
  69 999.000 0.000 HB2     6
  70 999.000 0.000 HB3     6
  71   1.659 0.005 QB      6
  72  26.699 0.000 CG      6
  73   1.578 0.003 HG      6
  74 999.000 0.000 QD1     6
  75 999.000 0.000 QD2     6
  76  24.870 0.000 CD1     6
  77 999.000 0.000 HD11    6
  78 999.000 0.000 HD12    6
  79 999.000 0.000 HD13    6
  80  24.870 0.000 CD2     6
  81 999.000 0.000 HD21    6
  82 999.000 0.000 HD22    6
  83 999.000 0.000 HD23    6
  84   0.905 0.003 QQD     6
  85 999.000 0.000 C       6
  86 121.452 0.000 N       7
  87   8.180 0.002 H      7
  88  62.189 0.000 CA      7
  89   3.969 0.002 HA      7
  90  38.111 0.000 CB      7
  91   1.826 0.001 HB      7
  92   0.916 0.003 QG2     7
  93  17.298 0.000 CG2     7
  94 999.000 0.000 HG21    7
  95 999.000 0.000 HG22    7
  96 999.000 0.000 HG23    7
  97  27.942 0.048 CG1     7
  98   1.515 0.004 HG12    7
  99   1.201 0.003 HG13    7
 100 999.000 0.000 QG1     7
 101   0.872 0.001 QD1     7
 102  12.964 0.000 CD1     7
 103 999.000 0.000 HD11    7
 104 999.000 0.000 HD12    7
 105 999.000 0.000 HD13    7
 106 999.000 0.000 C       7
 107 112.447 0.000 N       8
 108   8.589 0.003 H      8
 109  45.245 0.032 CA      8
 110   4.173 0.003 HA3     8
 111   3.686 0.002 HA2     8
 112 999.000 0.000 QA      8
 113 999.000 0.000 C       8
 114 119.869 0.000 N       9
 115   8.174 0.001 H      9
 116  53.184 0.000 CA      9
 117   4.832 0.007 HA      9
 118  38.487 0.016 CB      9
 119   3.043 0.003 HB2     9
 120   2.833 0.002 HB3     9
 121 999.000 0.000 QB      9
 122 999.000 0.000 CG      9
 123 999.000 0.000 OD1     9
 124 112.131 0.007 ND2     9
 125   7.714 0.008 HD21    9
 126   6.936 0.006 HD22    9
 127 999.000 0.000 QD2     9
 128 999.000 0.000 C       9
 129 122.610 0.000 N      10
 130   8.575 0.002 H     10
 131  56.981 0.000 CA     10
 132   4.395 0.003 HA     10
 133  29.124 0.019 CB     10
 134   2.266 0.003 HB2    10
 135   2.083 0.003 HB3    10
 136 999.000 0.000 QB     10
 137  33.729 0.000 CG     10
 138 999.000 0.000 HG2    10
 139 999.000 0.000 HG3    10
 140   2.533 0.004 QG     10
 141 999.000 0.000 CD     10
 142 999.000 0.000 OE1    10
 143 999.000 0.000 OE2    10
 144 999.000 0.000 C      10
 145 125.151 0.000 N      11
 146   8.372 0.003 H     11
 147  59.525 0.000 CA     11
 148   4.060 0.003 HA     11
 149  29.930 0.000 CB     11
 150   1.984 0.005 HB2    11
 151   1.916 0.006 HB3    11
 152 999.000 0.000 QB     11
 153  28.073 0.017 CG     11
 154   1.729 0.002 HG2    11
 155   1.665 0.002 HG3    11
 156 999.000 0.000 QG     11
 157  42.914 0.000 CD     11
 158 999.000 0.000 HD2    11
 159 999.000 0.000 HD3    11
 160   3.253 0.002 QD     11
 161 999.000 0.000 NE     11
 162   7.293 0.003 HE     11
 163 999.000 0.000 CZ     11
 164 999.000 0.000 NH1    11
 165 999.000 0.000 HH11   11
 166 999.000 0.000 HH12   11
 167 999.000 0.000 NH2    11
 168 999.000 0.000 HH21   11
 169 999.000 0.000 HH22   11
 170 999.000 0.000 QH2    11
 171 999.000 0.000 C      11
 172 117.286 0.000 N      12
 173   8.124 0.003 H     12
 174  57.765 0.000 CA     12
 175   4.083 0.003 HA     12
 176  41.291 0.018 CB     12
 177   1.854 0.002 HB2    12
 178   1.483 0.003 HB3    12
 179 999.000 0.000 QB     12
 180  27.003 0.000 CG     12
 181   1.667 0.003 HG     12
 182   0.965 0.002 QD1    12
 183   0.898 0.002 QD2    12
 184  24.801 0.000 CD1    12
 185 999.000 0.000 HD11   12
 186 999.000 0.000 HD12   12
 187 999.000 0.000 HD13   12
 188  24.820 0.000 CD2    12
 189 999.000 0.000 HD21   12
 190 999.000 0.000 HD22   12
 191 999.000 0.000 HD23   12
 192 999.000 0.000 QQD    12
 193 999.000 0.000 C      12
 194 118.311 0.000 N      13
 195   7.799 0.003 H     13
 196  57.245 0.000 CA     13
 197   4.509 0.004 HA     13
 198  36.024 0.034 CB     13
 199   3.068 0.004 HB2    13
 200   2.859 0.003 HB3    13
 201 999.000 0.000 QB     13
 202 999.000 0.000 SG     13
 203 999.000 0.000 C      13
 204 119.794 0.000 N      14
 205   7.918 0.002 H     14
 206  68.640 0.000 CA     14
 207   3.144 0.002 HA     14
 208  31.645 0.000 CB     14
 209   2.279 0.004 HB     14
 210   1.124 0.002 QG1    14
 211   1.013 0.001 QG2    14
 212  22.760 0.000 CG1    14
 213 999.000 0.000 HG11   14
 214 999.000 0.000 HG12   14
 215 999.000 0.000 HG13   14
 216  21.435 0.000 CG2    14
 217 999.000 0.000 HG21   14
 218 999.000 0.000 HG22   14
 219 999.000 0.000 HG23   14
 220 999.000 0.000 QQG    14
 221 999.000 0.000 C      14
 222 122.103 0.000 N      15
 223   8.404 0.004 H     15
 224  66.956 0.000 CA     15
 225   3.647 0.002 HA     15
 226  31.909 0.000 CB     15
 227   2.138 0.003 HB     15
 228   1.123 0.002 QG1    15
 229   1.018 0.002 QG2    15
 230  22.176 0.000 CG1    15
 231 999.000 0.000 HG11   15
 232 999.000 0.000 HG12   15
 233 999.000 0.000 HG13   15
 234  20.835 0.000 CG2    15
 235 999.000 0.000 HG21   15
 236 999.000 0.000 HG22   15
 237 999.000 0.000 HG23   15
 238 999.000 0.000 QQG    15
 239 999.000 0.000 C      15
 240 119.332 0.000 N      16
 241   8.029 0.002 H     16
 242  56.870 0.000 CA     16
 243   4.456 0.006 HA     16
 244  27.879 0.005 CB     16
 245   3.557 0.006 HB2    16
 246   3.399 0.004 HB3    16
 247 999.000 0.000 QB     16
 248 999.000 0.000 CG     16
 249 999.000 0.000 ND1    16
 250 999.000 0.000 CD2    16
 251 999.000 0.000 HD1    16
 252 999.000 0.000 CE1    16
 253 999.000 0.000 NE2    16
 254   7.139 0.001 HD2    16
 255   8.712 0.000 HE1    16
 256 999.000 0.000 HE2    16
 257 118.209 0.000 N      17
 258   8.458 0.002 H     17
 259  57.755 0.000 CA     17
 260   4.320 0.005 HA     17
 261  36.433 0.019 CB     17
 262   2.807 0.003 HB2    17
 263   2.699 0.004 HB3    17
 264 999.000 0.000 QB     17
 265 999.000 0.000 SG     17
 266 999.000 0.000 C      17
 267 124.014 0.000 N      18
 268   8.995 0.001 H     18
 269  54.497 0.000 CA     18
 270   4.453 0.002 HA     18
 271  41.587 0.000 CB     18
 272   1.908 0.003 HB2    18
 273   1.572 0.004 HB3    18
 274 999.000 0.000 QB     18
 275  27.325 0.000 CG     18
 276   1.826 0.003 HG     18
 277 999.000 0.000 QD1    18
 278 999.000 0.000 QD2    18
 279  23.342 0.000 CD1    18
 280 999.000 0.000 HD11   18
 281 999.000 0.000 HD12   18
 282 999.000 0.000 HD13   18
 283  23.342 0.000 CD2    18
 284 999.000 0.000 HD21   18
 285 999.000 0.000 HD22   18
 286 999.000 0.000 HD23   18
 287   0.886 0.002 QQD    18
 288 999.000 0.000 C      18
 289 122.041 0.000 N      19
 290   7.947 0.003 H     19
 291  54.487 0.000 CA     19
 292   4.233 0.002 HA     19
 293   1.579 0.002 QB     19
 294  17.787 0.000 CB     19
 295 999.000 0.000 HB1    19
 296 999.000 0.000 HB2    19
 297 999.000 0.000 HB3    19
 298 999.000 0.000 C      19
 299 124.473 0.000 N      20
 300   7.327 0.001 H     20
 301  54.737 0.000 CA     20
 302   4.468 0.004 HA     20
 303  32.538 0.007 CB     20
 304   2.338 0.004 HB2    20
 305   2.025 0.007 HB3    20
 306 999.000 0.000 QB     20
 307  24.353 0.000 CG     20
 308 999.000 0.000 HG2    20
 309 999.000 0.000 HG3    20
 310   1.492 0.005 QG     20
 311  28.439 0.000 CD     20
 312 999.000 0.000 HD2    20
 313 999.000 0.000 HD3    20
 314   1.654 0.003 QD     20
 315  41.902 0.000 CE     20
 316   3.067 0.005 HE2    20
 317   2.950 0.005 HE3    20
 318 999.000 0.000 QE     20
 319 999.000 0.000 NZ     20
 320 999.000 0.000 HZ1    20
 321 999.000 0.000 HZ2    20
 322 999.000 0.000 HZ3    20
 323 999.000 0.000 QZ     20
 324 999.000 0.000 C      20
 325 106.488 0.000 N      21
 326   7.882 0.004 H     21
 327  45.405 0.015 CA     21
 328   4.111 0.003 HA3    21
 329   3.773 0.001 HA2    21
 330 999.000 0.000 QA     21
 331 999.000 0.000 C      21
 332 118.980 0.000 N      22
 333   7.935 0.002 H     22
 334  57.605 0.000 CA     22
 335   4.740 0.003 HA     22
 336  38.697 0.008 CB     22
 337   3.695 0.001 HB2    22
 338   2.699 0.001 HB3    22
 339 999.000 0.000 QB     22
 340   7.223 0.001 QD     22
 341   7.302 0.000 QE     22
 342 999.000 0.000 QR     22
 343 999.000 0.000 CG     22
 344 999.000 0.000 CD1    22
 345 999.000 0.000 HD1    22
 346 999.000 0.000 CE1    22
 347 999.000 0.000 HE1    22
 348 999.000 0.000 CZ     22
 349 999.000 0.000 HZ     22
 350 999.000 0.000 CE2    22
 351 999.000 0.000 HE2    22
 352 999.000 0.000 CD2    22
 353 999.000 0.000 HD2    22
 354 999.000 0.000 C      22
 355 119.845 0.000 N      23
 356   8.475 0.001 H     23
 357  56.928 0.000 CA     23
 358   4.498 0.006 HA     23
 359  31.595 0.001 CB     23
 360   1.935 0.005 HB2    23
 361   1.788 0.004 HB3    23
 362 999.000 0.000 QB     23
 363  26.961 0.000 CG     23
 364 999.000 0.000 HG2    23
 365 999.000 0.000 HG3    23
 366   1.697 0.003 QG     23
 367  43.420 0.000 CD     23
 368 999.000 0.000 HD2    23
 369 999.000 0.000 HD3    23
 370   3.260 0.005 QD     23
 371 999.000 0.000 NE     23
 372   7.666 0.005 HE     23
 373 999.000 0.000 CZ     23
 374 999.000 0.000 NH1    23
 375 999.000 0.000 HH11   23
 376 999.000 0.000 HH12   23
 377 999.000 0.000 NH2    23
 378 999.000 0.000 HH21   23
 379 999.000 0.000 HH22   23
 380 999.000 0.000 QH2    23
 381 999.000 0.000 C      23
 382 104.177 0.000 N      24
 383   7.793 0.003 H     24
 384  44.813 0.008 CA     24
 385   4.308 0.002 HA3    24
 386   3.992 0.005 HA2    24
 387 999.000 0.000 QA     24
 388 999.000 0.000 C      24
 389 107.826 0.000 N      25
 390   8.402 0.004 H     25
 391  46.904 0.000 CA     25
 392   5.046 0.002 HA3    25
 393   4.166 0.003 HA2    25
 394 999.000 0.000 QA     25
 395 999.000 0.000 C      25
 396 119.792 0.000 N      26
 397   9.074 0.001 H     26
 398  56.647 0.000 CA     26
 399   4.894 0.005 HA     26
 400  32.008 0.000 CB     26
 401 999.000 0.000 HB2    26
 402 999.000 0.000 HB3    26
 403   3.255 0.006 QB     26
 404 999.000 0.000 CG     26
 405 999.000 0.000 CD1    26
 406 999.000 0.000 CD2    26
 407 999.000 0.000 CE3    26
 408 999.000 0.000 CE2    26
 409 129.365 0.000 NE1    26
 410   6.878 0.002 HD1    26
 411   7.215 0.004 HE3    26
 412 999.000 0.000 CZ3    26
 413 999.000 0.000 CZ2    26
 414  10.296 0.004 HE1    26
 415   6.872 0.007 HZ3    26
 416 999.000 0.000 CH2    26
 417   7.448 0.002 HZ2    26
 418   7.319 0.004 HH2    26
 419 999.000 0.000 C      26
 420 121.832 0.000 N      27
 421   8.755 0.003 H     27
 422  54.679 0.000 CA     27
 423   5.200 0.002 HA     27
 424  43.201 0.007 CB     27
 425   3.173 0.006 HB2    27
 426   2.868 0.004 HB3    27
 427 999.000 0.000 QB     27
 428 999.000 0.000 SG     27
 429 999.000 0.000 C      27
 430 123.951 0.000 N      28
 431   8.252 0.003 H     28
 432  52.283 0.000 CA     28
 433   4.899 0.003 HA     28
 434  42.610 0.000 CB     28
 435   3.526 0.001 HB2    28
 436   2.455 0.003 HB3    28
 437 999.000 0.000 QB     28
 438 999.000 0.000 CG     28
 439 999.000 0.000 OD1    28
 440 999.000 0.000 OD2    28
 441 999.000 0.000 C      28
 442 113.221 0.000 N      29
 443   8.566 0.002 H     29
 444  60.945 0.000 CA     29
 445   4.267 0.001 HA     29
 446  62.743 0.024 CB     29
 447   4.106 0.004 HB2    29
 448   4.029 0.006 HB3    29
 449 999.000 0.000 QB     29
 450 999.000 0.000 OG     29
 451 999.000 0.000 HG     29
 452 999.000 0.000 C      29
 453 122.461 0.000 N      30
 454   8.311 0.002 H     30
 455  55.478 0.000 CA     30
 456   4.401 0.003 HA     30
 457  29.376 0.011 CB     30
 458   2.032 0.006 HB2    30
 459   1.933 0.003 HB3    30
 460 999.000 0.000 QB     30
 461  27.277 0.000 CG     30
 462 999.000 0.000 HG2    30
 463 999.000 0.000 HG3    30
 464   1.617 0.004 QG     30
 465  43.426 0.000 CD     30
 466 999.000 0.000 HD2    30
 467 999.000 0.000 HD3    30
 468   3.204 0.004 QD     30
 469 999.000 0.000 NE     30
 470   7.132 0.002 HE     30
 471 999.000 0.000 CZ     30
 472 999.000 0.000 NH1    30
 473 999.000 0.000 HH11   30
 474 999.000 0.000 HH12   30
 475 999.000 0.000 NH2    30
 476 999.000 0.000 HH21   30
 477 999.000 0.000 HH22   30
 478 999.000 0.000 QH2    30
 479 999.000 0.000 C      30
 480 121.461 0.000 N      31
 481   8.357 0.003 H     31
 482  57.674 0.000 CA     31
 483   3.603 0.002 HA     31
 484  33.124 0.000 CB     31
 485 999.000 0.000 HB2    31
 486 999.000 0.000 HB3    31
 487   1.671 0.006 QB     31
 488  25.361 0.000 CG     31
 489 999.000 0.000 HG2    31
 490 999.000 0.000 HG3    31
 491   1.286 0.004 QG     31
 492  28.461 0.013 CD     31
 493   2.197 0.002 HD2    31
 494   1.929 0.002 HD3    31
 495 999.000 0.000 QD     31
 496  42.131 0.000 CE     31
 497 999.000 0.000 HE2    31
 498 999.000 0.000 HE3    31
 499   2.980 0.002 QE     31
 500 999.000 0.000 NZ     31
 501 999.000 0.000 HZ1    31
 502 999.000 0.000 HZ2    31
 503 999.000 0.000 HZ3    31
 504   7.541 0.004 QZ     31
 505 999.000 0.000 C      31
 506 120.941 0.000 N      32
 507   8.028 0.002 H     32
 508  62.053 0.000 CA     32
 509   3.916 0.003 HA     32
 510  32.411 0.000 CB     32
 511   2.245 0.003 HB     32
 512   0.783 0.003 QG1    32
 513   0.666 0.002 QG2    32
 514  22.009 0.000 CG1    32
 515 999.000 0.000 HG11   32
 516 999.000 0.000 HG12   32
 517 999.000 0.000 HG13   32
 518  20.940 0.000 CG2    32
 519 999.000 0.000 HG21   32
 520 999.000 0.000 HG22   32
 521 999.000 0.000 HG23   32
 522 999.000 0.000 QQG    32
 523 999.000 0.000 C      32
 524 119.269 0.000 N      33
 525   8.367 0.001 H     33
 526  54.896 0.000 CA     33
 527   4.616 0.003 HA     33
 528  36.180 0.000 CB     33
 529   2.792 0.002 HB2    33
 530   2.520 0.003 HB3    33
 531 999.000 0.000 QB     33
 532 999.000 0.000 SG     33
 533 999.000 0.000 C      33
 534 130.135 0.000 N      34
 535   9.010 0.001 H     34
 536  51.576 0.000 CA     34
 537   4.535 0.002 HA     34
 538  40.314 0.034 CB     34
 539   1.687 0.004 HB2    34
 540   1.086 0.002 HB3    34
 541 999.000 0.000 QB     34
 542 999.000 0.000 CG     34
 543 999.000 0.000 OD1    34
 544 113.366 0.000 ND2    34
 545   6.747 0.006 HD21   34
 546   5.668 0.001 HD22   34
 547 999.000 0.000 QD2    34
 548 999.000 0.000 C      34
 549 117.489 0.000 N      35
 550   8.424 0.005 H     35
 551  51.461 0.000 CA     35
 552   5.388 0.003 HA     35
 553  35.521 0.018 CB     35
 554   2.203 0.003 HB2    35
 555   1.303 0.008 HB3    35
 556 999.000 0.000 QB     35
 557 999.000 0.000 SG     35
 558 999.000 0.000 C      35
 559 130.342 0.000 N      36
 560   8.767 0.004 H     36
 561  57.759 0.000 CA     36
 562   4.339 0.002 HA     36
 563  31.016 0.000 CB     36
 564   2.005 0.010 HB2    36
 565   1.878 0.002 HB3    36
 566 999.000 0.000 QB     36
 567  27.612 0.000 CG     36
 568 999.000 0.000 HG2    36
 569 999.000 0.000 HG3    36
 570   1.787 0.004 QG     36
 571  43.441 0.000 CD     36
 572 999.000 0.000 HD2    36
 573 999.000 0.000 HD3    36
 574   3.221 0.001 QD     36
 575 999.000 0.000 NE     36
 576   7.220 0.003 HE     36
 577 999.000 0.000 CZ     36
 578 999.000 0.000 NH1    36
 579 999.000 0.000 HH11   36
 580 999.000 0.000 HH12   36
 581 999.000 0.000 NH2    36
 582 999.000 0.000 HH21   36
 583 999.000 0.000 HH22   36
 584 999.000 0.000 QH2    36
 585 999.000 0.000 C      36
 586 116.884 0.000 N      37
 587   8.429 0.006 H     37
 588  54.878 0.000 CA     37
 589   4.832 0.002 HA     37
 590  33.044 0.000 CB     37
 591 999.000 0.000 HB2    37
 592 999.000 0.000 HB3    37
 593   1.842 0.004 QB     37
 594  27.059 0.000 CG     37
 595 999.000 0.000 HG2    37
 596 999.000 0.000 HG3    37
 597   1.660 0.005 QG     37
 598  43.207 0.000 CD     37
 599 999.000 0.000 HD2    37
 600 999.000 0.000 HD3    37
 601   3.146 0.002 QD     37
 602 999.000 0.000 NE     37
 603   7.186 0.003 HE     37
 604 999.000 0.000 CZ     37
 605 999.000 0.000 NH1    37
 606 999.000 0.000 HH11   37
 607 999.000 0.000 HH12   37
 608 999.000 0.000 NH2    37
 609 999.000 0.000 HH21   37
 610 999.000 0.000 HH22   37
 611 999.000 0.000 QH2    37
 612 999.000 0.000 C      37
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1          1HT       GLY   1  -6.550  -3.468   8.588
    2    H2   GLY   1          2HT       GLY   1  -7.918  -4.337   8.130
    3    H3   GLY   1          3HT       GLY   1  -8.017  -3.154   9.332
    4    HA2  GLY   1          1HA       GLY   1  -8.917  -2.324   7.264
    5    HA3  GLY   1          2HA       GLY   1  -7.493  -1.433   7.779
    6    H    ILE   2           H        ILE   2  -5.541  -1.724   6.687
    7    HA   ILE   2           HA       ILE   2  -5.898  -2.218   3.937
    8    HB   ILE   2           HB       ILE   2  -3.361  -1.901   3.813
    9   HG12  ILE   2          2HG1      ILE   2  -3.817  -1.134   6.711
   10   HG13  ILE   2          1HG1      ILE   2  -2.815  -2.460   6.134
   11   HG21  ILE   2          1HG2      ILE   2  -5.138   0.257   4.903
   12   HG22  ILE   2          2HG2      ILE   2  -4.914  -0.181   3.208
   13   HG23  ILE   2          3HG2      ILE   2  -3.585   0.534   4.119
   14   HD11  ILE   2          1HD1      ILE   2  -1.465  -0.583   6.840
   15   HD12  ILE   2          2HD1      ILE   2  -2.318   0.476   5.717
   16   HD13  ILE   2          3HD1      ILE   2  -1.304  -0.828   5.100
   17    H    THR   3           H        THR   3  -5.794  -3.932   2.865
   18    HA   THR   3           HA       THR   3  -4.634  -6.361   4.027
   19    HB   THR   3           HB       THR   3  -7.133  -6.076   2.380
   20    HG1  THR   3          1HG       THR   3  -7.610  -5.160   4.336
   21   HG21  THR   3          1HG2      THR   3  -6.093  -8.403   4.035
   22   HG22  THR   3          2HG2      THR   3  -6.089  -8.310   2.276
   23   HG23  THR   3          3HG2      THR   3  -7.618  -8.390   3.149
   24    H    CYS   4           H        CYS   4  -3.806  -7.785   2.410
   25    HA   CYS   4           HA       CYS   4  -3.495  -6.565  -0.231
   26    HB2  CYS   4          2HB       CYS   4  -1.536  -8.307   1.240
   27    HB3  CYS   4          1HB       CYS   4  -1.316  -7.654  -0.380
   28    H    ASP   5           H        ASP   5  -5.019  -7.601  -1.336
   29    HA   ASP   5           HA       ASP   5  -5.135 -10.531  -1.246
   30    HB2  ASP   5          2HB       ASP   5  -7.271  -9.177  -1.400
   31    HB3  ASP   5          1HB       ASP   5  -6.722  -8.604  -2.976
   32    H    LEU   6           H        LEU   6  -4.237  -7.771  -3.135
   33    HA   LEU   6           HA       LEU   6  -2.997  -9.444  -5.139
   34    HB2  LEU   6          2HB       LEU   6  -3.531  -6.473  -5.026
   35    HB3  LEU   6          1HB       LEU   6  -2.878  -7.339  -6.396
   36    HG   LEU   6           HG       LEU   6  -5.678  -7.545  -5.296
   37   HD11  LEU   6          1HD1      LEU   6  -6.324  -6.558  -7.420
   38   HD12  LEU   6          2HD1      LEU   6  -4.625  -6.426  -7.876
   39   HD13  LEU   6          3HD1      LEU   6  -5.247  -5.495  -6.514
   40   HD21  LEU   6          1HD2      LEU   6  -4.977  -9.694  -6.126
   41   HD22  LEU   6          2HD2      LEU   6  -4.392  -8.958  -7.617
   42   HD23  LEU   6          3HD2      LEU   6  -6.122  -8.963  -7.254
   43    H    ILE   7           H        ILE   7  -0.828  -9.071  -5.435
   44    HA   ILE   7           HA       ILE   7   0.514  -7.708  -3.224
   45    HB   ILE   7           HB       ILE   7   1.583  -9.928  -5.002
   46   HG12  ILE   7          2HG1      ILE   7   0.803  -9.915  -2.076
   47   HG13  ILE   7          1HG1      ILE   7  -0.062 -10.722  -3.374
   48   HG21  ILE   7          1HG2      ILE   7   3.545  -9.920  -3.519
   49   HG22  ILE   7          2HG2      ILE   7   2.888  -8.523  -2.666
   50   HG23  ILE   7          3HG2      ILE   7   3.357  -8.381  -4.361
   51   HD11  ILE   7          1HD1      ILE   7   2.709 -11.369  -2.425
   52   HD12  ILE   7          2HD1      ILE   7   1.851 -12.188  -3.731
   53   HD13  ILE   7          3HD1      ILE   7   1.249 -12.298  -2.073
   54    H    GLY   8           H        GLY   8   1.205  -5.834  -3.760
   55    HA2  GLY   8          2HA       GLY   8   2.477  -4.226  -4.929
   56    HA3  GLY   8          1HA       GLY   8   2.716  -5.403  -6.212
   57    H    ASN   9           H        ASN   9   0.020  -5.998  -6.666
   58    HA   ASN   9           HA       ASN   9  -0.723  -3.712  -8.357
   59    HB2  ASN   9          2HB       ASN   9  -1.946  -6.473  -8.117
   60    HB3  ASN   9          1HB       ASN   9  -2.448  -5.265  -9.284
   61   HD21  ASN   9          1HD2      ASN   9  -0.056  -7.634  -8.471
   62   HD22  ASN   9          2HD2      ASN   9   0.823  -7.562  -9.944
   63    H    GLU  10           H        GLU  10  -1.074  -4.206  -5.396
   64    HA   GLU  10           HA       GLU  10  -3.895  -4.197  -4.961
   65    HB2  GLU  10          2HB       GLU  10  -2.362  -5.529  -3.624
   66    HB3  GLU  10          1HB       GLU  10  -1.542  -4.099  -3.072
   67    HG2  GLU  10          2HG       GLU  10  -2.991  -4.973  -1.423
   68    HG3  GLU  10          1HG       GLU  10  -3.560  -3.386  -1.967
   69    H    ARG  11           H        ARG  11  -4.000  -2.217  -6.192
   70    HA   ARG  11           HA       ARG  11  -2.970   0.293  -5.428
   71    HB2  ARG  11          2HB       ARG  11  -3.975  -0.146  -7.638
   72    HB3  ARG  11          1HB       ARG  11  -5.561  -0.232  -6.886
   73    HG2  ARG  11          2HG       ARG  11  -5.368   2.110  -6.198
   74    HG3  ARG  11          1HG       ARG  11  -3.774   2.197  -6.947
   75    HD2  ARG  11          2HD       ARG  11  -6.377   1.629  -8.357
   76    HD3  ARG  11          1HD       ARG  11  -5.479   3.145  -8.399
   77    HE   ARG  11           HE       ARG  11  -3.689   1.294  -9.225
   78   HH11  ARG  11          1HH1      ARG  11  -6.917   2.212 -10.340
   79   HH12  ARG  11          2HH1      ARG  11  -6.599   1.859 -11.977
   80   HH21  ARG  11          1HH2      ARG  11  -3.283   0.743 -11.476
   81   HH22  ARG  11          2HH2      ARG  11  -4.494   0.982 -12.632
   82    H    LEU  12           H        LEU  12  -5.757  -1.463  -4.316
   83    HA   LEU  12           HA       LEU  12  -7.023   0.654  -2.951
   84    HB2  LEU  12          2HB       LEU  12  -7.098  -2.311  -2.411
   85    HB3  LEU  12          1HB       LEU  12  -8.172  -1.144  -1.663
   86    HG   LEU  12           HG       LEU  12  -8.050  -1.832  -4.603
   87   HD11  LEU  12          1HD1      LEU  12  -9.024  -3.598  -3.265
   88   HD12  LEU  12          2HD1      LEU  12 -10.258  -2.791  -4.232
   89   HD13  LEU  12          3HD1      LEU  12 -10.121  -2.443  -2.509
   90   HD21  LEU  12          1HD2      LEU  12 -10.051  -0.431  -4.806
   91   HD22  LEU  12          2HD2      LEU  12  -8.652   0.506  -4.295
   92   HD23  LEU  12          3HD2      LEU  12  -9.885   0.051  -3.117
   93    H    CYS  13           H        CYS  13  -4.248  -1.273  -2.191
   94    HA   CYS  13           HA       CYS  13  -4.237  -0.243   0.503
   95    HB2  CYS  13          2HB       CYS  13  -3.415  -2.504   0.280
   96    HB3  CYS  13          1HB       CYS  13  -2.283  -2.015  -0.986
   97    H    VAL  14           H        VAL  14  -2.431   0.120  -2.518
   98    HA   VAL  14           HA       VAL  14  -0.434   1.904  -1.800
   99    HB   VAL  14           HB       VAL  14  -1.984   2.016  -4.393
  100   HG11  VAL  14          1HG1      VAL  14   0.109   2.864  -5.377
  101   HG12  VAL  14          2HG1      VAL  14   0.842   2.867  -3.774
  102   HG13  VAL  14          3HG1      VAL  14  -0.523   3.929  -4.120
  103   HG21  VAL  14          1HG2      VAL  14  -1.217  -0.266  -3.961
  104   HG22  VAL  14          2HG2      VAL  14   0.433   0.324  -3.732
  105   HG23  VAL  14          3HG2      VAL  14  -0.348   0.456  -5.311
  106    H    VAL  15           H        VAL  15  -3.775   2.657  -2.701
  107    HA   VAL  15           HA       VAL  15  -3.572   5.436  -2.770
  108    HB   VAL  15           HB       VAL  15  -5.505   4.208  -3.662
  109   HG11  VAL  15          1HG1      VAL  15  -7.293   3.431  -2.202
  110   HG12  VAL  15          2HG1      VAL  15  -6.260   3.752  -0.806
  111   HG13  VAL  15          3HG1      VAL  15  -5.790   2.533  -1.989
  112   HG21  VAL  15          1HG2      VAL  15  -7.305   5.716  -2.915
  113   HG22  VAL  15          2HG2      VAL  15  -5.803   6.576  -3.245
  114   HG23  VAL  15          3HG2      VAL  15  -6.282   6.247  -1.581
  115    H    HIS  16           H        HIS  16  -3.868   3.292  -0.030
  116    HA   HIS  16           HA       HIS  16  -4.624   5.256   1.880
  117    HB2  HIS  16          2HB       HIS  16  -4.991   2.948   2.449
  118    HB3  HIS  16          1HB       HIS  16  -3.318   2.537   2.125
  119    HD1  HIS  16          1HD       HIS  16  -5.234   4.713   4.631
  120    HD2  HIS  16          2HD       HIS  16  -1.817   2.393   4.279
  121    HE1  HIS  16          1HE       HIS  16  -4.085   4.786   6.909
  122    H    CYS  17           H        CYS  17  -1.595   3.989   0.754
  123    HA   CYS  17           HA       CYS  17   0.086   5.447   2.506
  124    HB2  CYS  17          2HB       CYS  17   0.690   4.444  -0.279
  125    HB3  CYS  17          1HB       CYS  17   1.861   4.830   0.977
  126    H    LEU  18           H        LEU  18  -1.206   6.088  -0.722
  127    HA   LEU  18           HA       LEU  18   0.156   8.549  -1.104
  128    HB2  LEU  18          2HB       LEU  18  -2.378   7.498  -2.357
  129    HB3  LEU  18          1HB       LEU  18  -1.500   8.905  -2.914
  130    HG   LEU  18           HG       LEU  18  -0.416   6.085  -2.902
  131   HD11  LEU  18          1HD1      LEU  18  -0.660   6.214  -5.335
  132   HD12  LEU  18          2HD1      LEU  18  -1.458   7.779  -5.165
  133   HD13  LEU  18          3HD1      LEU  18  -2.213   6.326  -4.510
  134   HD21  LEU  18          1HD2      LEU  18   0.688   8.643  -4.058
  135   HD22  LEU  18          2HD2      LEU  18   1.369   7.036  -4.293
  136   HD23  LEU  18          3HD2      LEU  18   1.345   7.753  -2.683
  137    H    ALA  19           H        ALA  19  -2.925   7.694   0.350
  138    HA   ALA  19           HA       ALA  19  -3.948  10.307   0.593
  139    HB1  ALA  19          1HB       ALA  19  -4.498   7.871   2.283
  140    HB2  ALA  19          2HB       ALA  19  -5.352   8.317   0.805
  141    HB3  ALA  19          3HB       ALA  19  -5.474   9.338   2.242
  142    H    LYS  20           H        LYS  20  -1.985   8.289   2.700
  143    HA   LYS  20           HA       LYS  20  -1.848  10.167   4.828
  144    HB2  LYS  20          2HB       LYS  20   0.011   7.919   4.091
  145    HB3  LYS  20          1HB       LYS  20   0.133   8.849   5.578
  146    HG2  LYS  20          2HG       LYS  20  -2.110   8.104   6.217
  147    HG3  LYS  20          1HG       LYS  20  -2.205   7.157   4.734
  148    HD2  LYS  20          2HD       LYS  20  -0.074   6.804   6.816
  149    HD3  LYS  20          1HD       LYS  20  -1.558   5.836   6.770
  150    HE2  LYS  20          2HE       LYS  20  -0.884   5.126   4.482
  151    HE3  LYS  20          1HE       LYS  20   0.630   5.999   4.710
  152    HZ1  LYS  20          1HZ       LYS  20  -0.351   3.729   6.335
  153    HZ2  LYS  20          2HZ       LYS  20   1.074   4.543   6.646
  154    HZ3  LYS  20          3HZ       LYS  20   0.918   3.645   5.252
  155    H    GLY  21           H        GLY  21   0.040   9.690   1.935
  156    HA2  GLY  21          2HA       GLY  21   0.955  11.822   1.039
  157    HA3  GLY  21          1HA       GLY  21   1.531  12.132   2.671
  158    H    PHE  22           H        PHE  22   1.710   8.924   1.600
  159    HA   PHE  22           HA       PHE  22   4.570   9.003   1.589
  160    HB2  PHE  22          2HB       PHE  22   2.478   6.929   1.680
  161    HB3  PHE  22          1HB       PHE  22   3.957   6.414   0.859
  162    HD1  PHE  22          1HD       PHE  22   6.045   6.577   2.056
  163    HD2  PHE  22          2HD       PHE  22   2.310   7.083   3.969
  164    HE1  PHE  22          1HE       PHE  22   7.101   6.077   4.127
  165    HE2  PHE  22          2HE       PHE  22   3.358   6.573   6.138
  166    HZ   PHE  22           HZ       PHE  22   5.768   6.069   6.248
  167    H    ARG  23           H        ARG  23   5.834   8.172  -0.165
  168    HA   ARG  23           HA       ARG  23   5.241   9.178  -2.720
  169    HB2  ARG  23          2HB       ARG  23   7.106   6.911  -1.989
  170    HB3  ARG  23          1HB       ARG  23   7.110   7.777  -3.514
  171    HG2  ARG  23          2HG       ARG  23   7.806   9.798  -2.409
  172    HG3  ARG  23          1HG       ARG  23   7.694   9.016  -0.834
  173    HD2  ARG  23          2HD       ARG  23   9.384   7.369  -1.597
  174    HD3  ARG  23          1HD       ARG  23   9.562   8.300  -3.083
  175    HE   ARG  23           HE       ARG  23   9.916  10.060  -1.012
  176   HH11  ARG  23          1HH1      ARG  23  11.515   7.169  -2.239
  177   HH12  ARG  23          2HH1      ARG  23  13.054   7.522  -1.607
  178   HH21  ARG  23          1HH2      ARG  23  12.039  10.604  -0.112
  179   HH22  ARG  23          2HH2      ARG  23  13.345   9.537  -0.329
  180    H    GLY  24           H        GLY  24   4.535   6.184  -1.133
  181    HA2  GLY  24          2HA       GLY  24   2.385   5.455  -2.594
  182    HA3  GLY  24          1HA       GLY  24   3.751   4.796  -3.493
  183    H    GLY  25           H        GLY  25   2.520   2.804  -2.855
  184    HA2  GLY  25          2HA       GLY  25   3.728   1.754  -0.480
  185    HA3  GLY  25          1HA       GLY  25   1.964   1.791  -0.508
  186    H    TRP  26           H        TRP  26   3.267  -0.568  -0.322
  187    HA   TRP  26           HA       TRP  26   2.343  -1.874  -2.687
  188    HB2  TRP  26          2HB       TRP  26   4.413  -2.863  -3.384
  189    HB3  TRP  26          1HB       TRP  26   4.696  -1.133  -3.279
  190    HD1  TRP  26           HD       TRP  26   6.154  -4.351  -2.274
  191    HE1  TRP  26          1HE       TRP  26   8.037  -4.059  -0.567
  192    HE3  TRP  26          3HE       TRP  26   5.324   0.507  -0.981
  193    HZ2  TRP  26          2HZ       TRP  26   9.042  -2.037   1.140
  194    HZ3  TRP  26          3HZ       TRP  26   6.759   1.555   0.709
  195    HH2  TRP  26           HH       TRP  26   8.607   0.290   1.749
  196    H    CYS  27           H        CYS  27   2.127  -4.066  -2.314
  197    HA   CYS  27           HA       CYS  27   2.413  -4.871   0.461
  198    HB2  CYS  27          2HB       CYS  27   0.990  -6.150  -1.868
  199    HB3  CYS  27          1HB       CYS  27   1.076  -6.847  -0.251
  200    H    ASP  28           H        ASP  28   3.939  -6.227   1.042
  201    HA   ASP  28           HA       ASP  28   5.816  -6.960  -1.072
  202    HB2  ASP  28          2HB       ASP  28   7.469  -7.283   0.601
  203    HB3  ASP  28          1HB       ASP  28   6.585  -5.843   1.077
  204    H    SER  29           H        SER  29   7.029  -9.171  -0.287
  205    HA   SER  29           HA       SER  29   5.384 -11.243  -1.063
  206    HB2  SER  29          2HB       SER  29   7.961 -11.351   0.488
  207    HB3  SER  29          1HB       SER  29   7.258 -12.674  -0.448
  208    HG   SER  29           HG       SER  29   7.488 -11.495  -2.285
  209    H    ARG  30           H        ARG  30   5.882  -9.935   2.161
  210    HA   ARG  30           HA       ARG  30   4.846 -12.238   3.525
  211    HB2  ARG  30          2HB       ARG  30   5.354  -9.414   4.413
  212    HB3  ARG  30          1HB       ARG  30   4.771 -10.685   5.472
  213    HG2  ARG  30          2HG       ARG  30   6.801 -11.934   5.156
  214    HG3  ARG  30          1HG       ARG  30   7.371 -10.753   3.972
  215    HD2  ARG  30          2HD       ARG  30   8.367 -10.428   6.206
  216    HD3  ARG  30          1HD       ARG  30   7.441  -9.032   5.657
  217    HE   ARG  30           HE       ARG  30   5.676 -10.532   7.112
  218   HH11  ARG  30          1HH1      ARG  30   8.791  -9.043   7.789
  219   HH12  ARG  30          2HH1      ARG  30   8.452  -8.745   9.423
  220   HH21  ARG  30          1HH2      ARG  30   5.185 -10.122   9.319
  221   HH22  ARG  30          2HH2      ARG  30   6.311  -9.351  10.330
  222    H    LYS  31           H        LYS  31   3.366 -10.079   1.541
  223    HA   LYS  31           HA       LYS  31   1.216  -9.587   1.068
  224    HB2  LYS  31          2HB       LYS  31   0.684 -11.550   3.299
  225    HB3  LYS  31          1HB       LYS  31  -0.606 -10.794   2.367
  226    HG2  LYS  31          2HG       LYS  31   1.519 -12.112   0.809
  227    HG3  LYS  31          1HG       LYS  31   0.509 -13.184   1.781
  228    HD2  LYS  31          2HD       LYS  31  -0.610 -11.113  -0.098
  229    HD3  LYS  31          1HD       LYS  31  -0.273 -12.779  -0.582
  230    HE2  LYS  31          2HE       LYS  31  -1.762 -13.591   1.178
  231    HE3  LYS  31          1HE       LYS  31  -2.107 -11.940   1.667
  232    HZ1  LYS  31          1HZ       LYS  31  -2.718 -13.046  -1.011
  233    HZ2  LYS  31          2HZ       LYS  31  -3.215 -11.536  -0.363
  234    HZ3  LYS  31          3HZ       LYS  31  -3.791 -12.977   0.281
  235    H    VAL  32           H        VAL  32   2.878  -8.207   3.082
  236    HA   VAL  32           HA       VAL  32   0.837  -6.907   4.732
  237    HB   VAL  32           HB       VAL  32   3.867  -6.760   4.908
  238   HG11  VAL  32          1HG1      VAL  32   3.511  -5.698   7.090
  239   HG12  VAL  32          2HG1      VAL  32   1.769  -5.729   6.818
  240   HG13  VAL  32          3HG1      VAL  32   2.805  -4.749   5.782
  241   HG21  VAL  32          1HG2      VAL  32   3.664  -8.127   6.933
  242   HG22  VAL  32          2HG2      VAL  32   3.078  -8.984   5.506
  243   HG23  VAL  32          3HG2      VAL  32   1.932  -8.286   6.648
  244    H    CYS  33           H        CYS  33   0.372  -4.873   4.500
  245    HA   CYS  33           HA       CYS  33   1.119  -3.418   2.175
  246    HB2  CYS  33          2HB       CYS  33  -0.619  -2.935   4.550
  247    HB3  CYS  33          1HB       CYS  33  -0.106  -1.572   3.559
  248    H    ASN  34           H        ASN  34   2.900  -2.224   1.970
  249    HA   ASN  34           HA       ASN  34   4.044  -0.998   4.381
  250    HB2  ASN  34          2HB       ASN  34   5.606  -1.932   1.949
  251    HB3  ASN  34          1HB       ASN  34   6.269  -1.266   3.429
  252   HD21  ASN  34          1HD2      ASN  34   4.998  -4.008   1.865
  253   HD22  ASN  34          2HD2      ASN  34   5.345  -5.205   3.042
  254    H    CYS  35           H        CYS  35   4.433   1.174   4.136
  255    HA   CYS  35           HA       CYS  35   3.996   2.306   1.439
  256    HB2  CYS  35          2HB       CYS  35   3.582   3.687   4.094
  257    HB3  CYS  35          1HB       CYS  35   3.197   4.322   2.512
  258    H    ARG  36           H        ARG  36   5.638   3.442   0.554
  259    HA   ARG  36           HA       ARG  36   7.428   5.119   1.769
  260    HB2  ARG  36          2HB       ARG  36   8.205   2.978   2.930
  261    HB3  ARG  36          1HB       ARG  36   8.761   2.445   1.353
  262    HG2  ARG  36          2HG       ARG  36  10.280   4.332   1.224
  263    HG3  ARG  36          1HG       ARG  36   9.692   4.918   2.781
  264    HD2  ARG  36          2HD       ARG  36  11.140   2.315   2.277
  265    HD3  ARG  36          1HD       ARG  36  11.799   3.737   3.088
  266    HE   ARG  36           HE       ARG  36   9.571   3.104   4.515
  267   HH11  ARG  36          1HH1      ARG  36  12.601   1.438   3.750
  268   HH12  ARG  36          2HH1      ARG  36  12.472   0.337   5.039
  269   HH21  ARG  36          1HH2      ARG  36   9.399   1.605   6.259
  270   HH22  ARG  36          2HH2      ARG  36  10.608   0.435   6.522
  271    H    ARG  37           H        ARG  37   6.996   2.614  -0.684
  272    HA   ARG  37           HA       ARG  37   8.684   4.115  -2.535
  273    HB2  ARG  37          2HB       ARG  37   7.803   1.245  -2.629
  274    HB3  ARG  37          1HB       ARG  37   8.955   2.021  -3.709
  275    HG2  ARG  37          2HG       ARG  37  10.499   2.294  -1.838
  276    HG3  ARG  37          1HG       ARG  37   9.287   1.555  -0.774
  277    HD2  ARG  37          2HD       ARG  37   9.354  -0.481  -2.094
  278    HD3  ARG  37          1HD       ARG  37  10.576   0.225  -3.154
  279    HE   ARG  37           HE       ARG  37  11.743   0.420  -0.785
  280   HH11  ARG  37          1HH1      ARG  37  10.059  -2.301  -2.297
  281   HH12  ARG  37          2HH1      ARG  37  10.994  -3.509  -1.541
  282   HH21  ARG  37          1HH2      ARG  37  13.049  -1.245   0.255
  283   HH22  ARG  37          2HH2      ARG  37  12.748  -2.890  -0.067
  Start of MODEL    2
    1    H1   GLY   1          1HT       GLY   1  -9.652   0.173   6.482
    2    H2   GLY   1          2HT       GLY   1  -9.580  -1.410   5.862
    3    H3   GLY   1          3HT       GLY   1  -9.443  -0.095   4.820
    4    HA2  GLY   1          1HA       GLY   1  -7.383   0.550   5.914
    5    HA3  GLY   1          2HA       GLY   1  -7.555  -0.848   6.968
    6    H    ILE   2           H        ILE   2  -5.338  -1.078   5.914
    7    HA   ILE   2           HA       ILE   2  -5.127  -1.896   3.240
    8    HB   ILE   2           HB       ILE   2  -2.915  -2.833   3.967
    9   HG12  ILE   2          2HG1      ILE   2  -3.805  -1.731   6.653
   10   HG13  ILE   2          1HG1      ILE   2  -3.484  -3.408   6.258
   11   HG21  ILE   2          1HG2      ILE   2  -3.141  -0.591   3.094
   12   HG22  ILE   2          2HG2      ILE   2  -1.948  -0.622   4.392
   13   HG23  ILE   2          3HG2      ILE   2  -3.564   0.013   4.695
   14   HD11  ILE   2          1HD1      ILE   2  -1.159  -2.942   5.977
   15   HD12  ILE   2          2HD1      ILE   2  -1.691  -2.331   7.546
   16   HD13  ILE   2          3HD1      ILE   2  -1.447  -1.219   6.192
   17    H    THR   3           H        THR   3  -5.307  -3.775   2.260
   18    HA   THR   3           HA       THR   3  -5.294  -6.247   3.724
   19    HB   THR   3           HB       THR   3  -7.530  -5.583   1.773
   20    HG1  THR   3          1HG       THR   3  -7.243  -5.180   4.497
   21   HG21  THR   3          1HG2      THR   3  -6.953  -7.975   1.974
   22   HG22  THR   3          2HG2      THR   3  -8.552  -7.647   2.642
   23   HG23  THR   3          3HG2      THR   3  -7.177  -7.880   3.721
   24    H    CYS   4           H        CYS   4  -4.585  -7.969   2.291
   25    HA   CYS   4           HA       CYS   4  -3.664  -6.906  -0.264
   26    HB2  CYS   4          2HB       CYS   4  -2.388  -9.040   1.427
   27    HB3  CYS   4          1HB       CYS   4  -1.846  -8.518  -0.167
   28    H    ASP   5           H        ASP   5  -4.947  -7.585  -1.796
   29    HA   ASP   5           HA       ASP   5  -5.765 -10.379  -1.861
   30    HB2  ASP   5          2HB       ASP   5  -7.547  -8.892  -2.444
   31    HB3  ASP   5          1HB       ASP   5  -6.501  -7.928  -3.467
   32    H    LEU   6           H        LEU   6  -4.061  -7.901  -3.654
   33    HA   LEU   6           HA       LEU   6  -2.500  -9.987  -4.976
   34    HB2  LEU   6          2HB       LEU   6  -3.036  -7.127  -5.833
   35    HB3  LEU   6          1HB       LEU   6  -1.955  -8.211  -6.668
   36    HG   LEU   6           HG       LEU   6  -4.939  -8.581  -6.399
   37   HD11  LEU   6          1HD1      LEU   6  -4.986  -8.101  -8.784
   38   HD12  LEU   6          2HD1      LEU   6  -3.247  -7.815  -8.767
   39   HD13  LEU   6          3HD1      LEU   6  -4.324  -6.739  -7.878
   40   HD21  LEU   6          1HD2      LEU   6  -2.883 -10.186  -7.919
   41   HD22  LEU   6          2HD2      LEU   6  -4.627 -10.392  -8.024
   42   HD23  LEU   6          3HD2      LEU   6  -3.794 -10.729  -6.508
   43    H    ILE   7           H        ILE   7  -0.329  -9.108  -5.467
   44    HA   ILE   7           HA       ILE   7   0.837  -7.694  -3.164
   45    HB   ILE   7           HB       ILE   7   2.057  -9.818  -4.974
   46   HG12  ILE   7          2HG1      ILE   7   1.262  -9.929  -2.058
   47   HG13  ILE   7          1HG1      ILE   7   0.475 -10.755  -3.387
   48   HG21  ILE   7          1HG2      ILE   7   3.309  -8.392  -2.627
   49   HG22  ILE   7          2HG2      ILE   7   3.748  -8.197  -4.323
   50   HG23  ILE   7          3HG2      ILE   7   4.028  -9.739  -3.512
   51   HD11  ILE   7          1HD1      ILE   7   2.447 -12.130  -3.744
   52   HD12  ILE   7          2HD1      ILE   7   1.879 -12.272  -2.079
   53   HD13  ILE   7          3HD1      ILE   7   3.286 -11.276  -2.453
   54    H    GLY   8           H        GLY   8   1.950  -5.850  -3.698
   55    HA2  GLY   8          2HA       GLY   8   2.993  -4.244  -5.010
   56    HA3  GLY   8          1HA       GLY   8   3.037  -5.420  -6.310
   57    H    ASN   9           H        ASN   9   0.350  -5.889  -6.658
   58    HA   ASN   9           HA       ASN   9  -0.408  -3.484  -8.190
   59    HB2  ASN   9          2HB       ASN   9  -1.489  -6.310  -8.199
   60    HB3  ASN   9          1HB       ASN   9  -2.103  -5.016  -9.208
   61   HD21  ASN   9          1HD2      ASN   9  -1.649  -6.200 -11.034
   62   HD22  ASN   9          2HD2      ASN   9  -0.040  -6.441 -11.592
   63    H    GLU  10           H        GLU  10  -0.772  -4.114  -5.276
   64    HA   GLU  10           HA       GLU  10  -3.617  -4.320  -5.073
   65    HB2  GLU  10          2HB       GLU  10  -2.213  -5.734  -3.702
   66    HB3  GLU  10          1HB       GLU  10  -1.501  -4.331  -2.931
   67    HG2  GLU  10          2HG       GLU  10  -3.182  -5.367  -1.592
   68    HG3  GLU  10          1HG       GLU  10  -3.611  -3.706  -2.084
   69    H    ARG  11           H        ARG  11  -3.898  -2.392  -6.033
   70    HA   ARG  11           HA       ARG  11  -3.113   0.155  -5.237
   71    HB2  ARG  11          2HB       ARG  11  -4.242  -0.353  -7.340
   72    HB3  ARG  11          1HB       ARG  11  -5.734  -0.633  -6.462
   73    HG2  ARG  11          2HG       ARG  11  -5.846   1.669  -5.810
   74    HG3  ARG  11          1HG       ARG  11  -4.271   1.994  -6.541
   75    HD2  ARG  11          2HD       ARG  11  -6.768   1.103  -7.962
   76    HD3  ARG  11          1HD       ARG  11  -6.013   2.699  -8.046
   77    HE   ARG  11           HE       ARG  11  -4.011   1.226  -8.825
   78   HH11  ARG  11          1HH1      ARG  11  -7.393   1.060  -9.820
   79   HH12  ARG  11          2HH1      ARG  11  -7.068   0.335 -11.327
   80   HH21  ARG  11          1HH2      ARG  11  -3.562   0.178 -10.889
   81   HH22  ARG  11          2HH2      ARG  11  -4.839  -0.127 -11.970
   82    H    LEU  12           H        LEU  12  -5.761  -1.794  -3.988
   83    HA   LEU  12           HA       LEU  12  -6.853   0.270  -2.396
   84    HB2  LEU  12          2HB       LEU  12  -7.126  -2.726  -2.151
   85    HB3  LEU  12          1HB       LEU  12  -8.044  -1.572  -1.201
   86    HG   LEU  12           HG       LEU  12  -8.178  -1.880  -4.205
   87   HD11  LEU  12          1HD1      LEU  12  -9.251  -3.720  -3.063
   88   HD12  LEU  12          2HD1      LEU  12 -10.454  -2.663  -3.799
   89   HD13  LEU  12          3HD1      LEU  12 -10.162  -2.590  -2.062
   90   HD21  LEU  12          1HD2      LEU  12  -9.709  -0.052  -2.355
   91   HD22  LEU  12          2HD2      LEU  12 -10.065  -0.307  -4.061
   92   HD23  LEU  12          3HD2      LEU  12  -8.543   0.439  -3.589
   93    H    CYS  13           H        CYS  13  -4.118  -1.659  -2.047
   94    HA   CYS  13           HA       CYS  13  -3.798  -1.098   0.770
   95    HB2  CYS  13          2HB       CYS  13  -2.884  -3.172   0.067
   96    HB3  CYS  13          1HB       CYS  13  -2.149  -2.450  -1.359
   97    H    VAL  14           H        VAL  14  -2.450  -0.146  -2.347
   98    HA   VAL  14           HA       VAL  14  -0.475   1.659  -1.589
   99    HB   VAL  14           HB       VAL  14  -2.251   1.866  -4.023
  100   HG11  VAL  14          1HG1      VAL  14  -0.914   3.860  -3.721
  101   HG12  VAL  14          2HG1      VAL  14  -0.313   2.939  -5.099
  102   HG13  VAL  14          3HG1      VAL  14   0.547   2.887  -3.561
  103   HG21  VAL  14          1HG2      VAL  14  -1.308  -0.375  -3.850
  104   HG22  VAL  14          2HG2      VAL  14   0.306   0.306  -3.668
  105   HG23  VAL  14          3HG2      VAL  14  -0.569   0.506  -5.187
  106    H    VAL  15           H        VAL  15  -3.940   2.173  -1.974
  107    HA   VAL  15           HA       VAL  15  -3.941   4.968  -1.893
  108    HB   VAL  15           HB       VAL  15  -5.856   3.587  -2.618
  109   HG11  VAL  15          1HG1      VAL  15  -5.903   1.912  -0.922
  110   HG12  VAL  15          2HG1      VAL  15  -7.465   2.734  -0.983
  111   HG13  VAL  15          3HG1      VAL  15  -6.313   3.111   0.300
  112   HG21  VAL  15          1HG2      VAL  15  -7.638   5.036  -1.696
  113   HG22  VAL  15          2HG2      VAL  15  -6.208   5.932  -2.212
  114   HG23  VAL  15          3HG2      VAL  15  -6.483   5.621  -0.496
  115    H    HIS  16           H        HIS  16  -3.532   2.715   0.663
  116    HA   HIS  16           HA       HIS  16  -4.229   4.475   2.817
  117    HB2  HIS  16          2HB       HIS  16  -4.108   2.020   3.131
  118    HB3  HIS  16          1HB       HIS  16  -2.397   2.066   2.754
  119    HD1  HIS  16          1HD       HIS  16  -4.759   3.436   5.414
  120    HD2  HIS  16          2HD       HIS  16  -0.809   2.286   4.869
  121    HE1  HIS  16          1HE       HIS  16  -3.672   3.594   7.680
  122    H    CYS  17           H        CYS  17  -1.314   3.671   1.113
  123    HA   CYS  17           HA       CYS  17   0.485   5.308   2.584
  124    HB2  CYS  17          2HB       CYS  17   0.662   4.387  -0.279
  125    HB3  CYS  17          1HB       CYS  17   1.985   4.803   0.816
  126    H    LEU  18           H        LEU  18  -1.506   5.751  -0.279
  127    HA   LEU  18           HA       LEU  18  -0.577   8.334  -0.954
  128    HB2  LEU  18          2HB       LEU  18  -3.289   7.113  -1.477
  129    HB3  LEU  18          1HB       LEU  18  -2.624   8.498  -2.304
  130    HG   LEU  18           HG       LEU  18  -1.638   5.652  -2.493
  131   HD11  LEU  18          1HD1      LEU  18  -2.992   7.426  -4.510
  132   HD12  LEU  18          2HD1      LEU  18  -3.714   6.043  -3.693
  133   HD13  LEU  18          3HD1      LEU  18  -2.374   5.805  -4.815
  134   HD21  LEU  18          1HD2      LEU  18  -0.098   6.473  -4.215
  135   HD22  LEU  18          2HD2      LEU  18   0.246   7.203  -2.649
  136   HD23  LEU  18          3HD2      LEU  18  -0.610   8.127  -3.887
  137    H    ALA  19           H        ALA  19  -3.039   7.151   1.251
  138    HA   ALA  19           HA       ALA  19  -4.206   9.659   1.838
  139    HB1  ALA  19          1HB       ALA  19  -5.244   8.511   3.722
  140    HB2  ALA  19          2HB       ALA  19  -4.154   7.142   3.500
  141    HB3  ALA  19          3HB       ALA  19  -5.347   7.529   2.259
  142    H    LYS  20           H        LYS  20  -1.654   7.752   3.340
  143    HA   LYS  20           HA       LYS  20  -1.196   9.652   5.407
  144    HB2  LYS  20          2HB       LYS  20   0.404   7.293   4.459
  145    HB3  LYS  20          1HB       LYS  20   1.007   8.362   5.720
  146    HG2  LYS  20          2HG       LYS  20  -0.969   7.848   7.080
  147    HG3  LYS  20          1HG       LYS  20  -1.557   6.771   5.815
  148    HD2  LYS  20          2HD       LYS  20   0.327   5.319   6.108
  149    HD3  LYS  20          1HD       LYS  20   1.081   6.444   7.243
  150    HE2  LYS  20          2HE       LYS  20  -0.734   6.105   8.816
  151    HE3  LYS  20          1HE       LYS  20  -1.576   5.082   7.657
  152    HZ1  LYS  20          1HZ       LYS  20   1.039   4.454   8.932
  153    HZ2  LYS  20          2HZ       LYS  20   0.246   3.502   7.796
  154    HZ3  LYS  20          3HZ       LYS  20  -0.445   3.765   9.310
  155    H    GLY  21           H        GLY  21  -0.099   9.449   2.160
  156    HA2  GLY  21          2HA       GLY  21   0.531  11.618   1.198
  157    HA3  GLY  21          1HA       GLY  21   1.414  11.941   2.679
  158    H    PHE  22           H        PHE  22   1.668   8.802   1.527
  159    HA   PHE  22           HA       PHE  22   4.472   9.053   1.136
  160    HB2  PHE  22          2HB       PHE  22   2.503   6.853   1.101
  161    HB3  PHE  22          1HB       PHE  22   4.060   6.490   0.393
  162    HD1  PHE  22          1HD       PHE  22   2.201   7.085   3.419
  163    HD2  PHE  22          2HD       PHE  22   6.042   6.695   1.694
  164    HE1  PHE  22          1HE       PHE  22   3.159   6.689   5.647
  165    HE2  PHE  22          2HE       PHE  22   7.016   6.305   3.805
  166    HZ   PHE  22           HZ       PHE  22   5.586   6.292   5.879
  167    H    ARG  23           H        ARG  23   5.654   8.400  -0.704
  168    HA   ARG  23           HA       ARG  23   4.697   9.417  -3.173
  169    HB2  ARG  23          2HB       ARG  23   7.071   7.613  -2.620
  170    HB3  ARG  23          1HB       ARG  23   6.775   8.465  -4.125
  171    HG2  ARG  23          2HG       ARG  23   7.339   9.736  -1.451
  172    HG3  ARG  23          1HG       ARG  23   8.467   9.587  -2.794
  173    HD2  ARG  23          2HD       ARG  23   6.980  10.984  -4.165
  174    HD3  ARG  23          1HD       ARG  23   5.882  11.135  -2.793
  175    HE   ARG  23           HE       ARG  23   8.466  11.915  -2.038
  176   HH11  ARG  23          1HH1      ARG  23   5.697  13.081  -3.919
  177   HH12  ARG  23          2HH1      ARG  23   6.103  14.725  -3.759
  178   HH21  ARG  23          1HH2      ARG  23   9.032  14.178  -1.825
  179   HH22  ARG  23          2HH2      ARG  23   8.046  15.358  -2.554
  180    H    GLY  24           H        GLY  24   4.446   6.440  -1.531
  181    HA2  GLY  24          2HA       GLY  24   2.426   5.441  -3.031
  182    HA3  GLY  24          1HA       GLY  24   3.881   4.861  -3.829
  183    H    GLY  25           H        GLY  25   2.497   2.932  -3.045
  184    HA2  GLY  25          2HA       GLY  25   3.827   1.896  -0.742
  185    HA3  GLY  25          1HA       GLY  25   2.084   2.077  -0.606
  186    H    TRP  26           H        TRP  26   3.164  -0.396  -0.465
  187    HA   TRP  26           HA       TRP  26   1.840  -1.699  -2.613
  188    HB2  TRP  26          2HB       TRP  26   3.708  -2.867  -3.592
  189    HB3  TRP  26          1HB       TRP  26   4.058  -1.150  -3.668
  190    HD1  TRP  26           HD       TRP  26   5.716  -4.284  -2.959
  191    HE1  TRP  26          1HE       TRP  26   7.892  -3.939  -1.595
  192    HE3  TRP  26          3HE       TRP  26   4.983   0.475  -1.326
  193    HZ2  TRP  26          2HZ       TRP  26   9.093  -1.999  -0.054
  194    HZ3  TRP  26          3HZ       TRP  26   6.661   1.533   0.106
  195    HH2  TRP  26           HH       TRP  26   8.715   0.310   0.726
  196    H    CYS  27           H        CYS  27   1.355  -3.762  -2.053
  197    HA   CYS  27           HA       CYS  27   2.069  -4.623   0.618
  198    HB2  CYS  27          2HB       CYS  27  -0.245  -4.993  -0.194
  199    HB3  CYS  27          1HB       CYS  27   0.385  -5.971  -1.519
  200    H    ASP  28           H        ASP  28   3.614  -6.109   1.019
  201    HA   ASP  28           HA       ASP  28   5.138  -6.966  -1.327
  202    HB2  ASP  28          2HB       ASP  28   7.094  -7.157   0.050
  203    HB3  ASP  28          1HB       ASP  28   6.291  -5.681   0.524
  204    H    SER  29           H        SER  29   6.521  -9.115  -0.419
  205    HA   SER  29           HA       SER  29   4.743 -11.171  -0.999
  206    HB2  SER  29          2HB       SER  29   6.778 -12.595  -0.390
  207    HB3  SER  29          1HB       SER  29   6.969 -11.411  -1.684
  208    HG   SER  29           HG       SER  29   8.015 -11.436   0.896
  209    H    ARG  30           H        ARG  30   5.689  -9.839   2.063
  210    HA   ARG  30           HA       ARG  30   4.899 -12.129   3.643
  211    HB2  ARG  30          2HB       ARG  30   5.359  -9.265   4.459
  212    HB3  ARG  30          1HB       ARG  30   5.220 -10.633   5.545
  213    HG2  ARG  30          2HG       ARG  30   7.315 -11.503   4.855
  214    HG3  ARG  30          1HG       ARG  30   7.390 -10.398   3.474
  215    HD2  ARG  30          2HD       ARG  30   7.472  -9.632   6.393
  216    HD3  ARG  30          1HD       ARG  30   8.819  -9.559   5.248
  217    HE   ARG  30           HE       ARG  30   6.913  -8.101   4.049
  218   HH11  ARG  30          1HH1      ARG  30   8.522  -7.813   7.197
  219   HH12  ARG  30          2HH1      ARG  30   8.158  -6.168   7.398
  220   HH21  ARG  30          1HH2      ARG  30   6.368  -5.937   4.326
  221   HH22  ARG  30          2HH2      ARG  30   6.846  -5.028   5.702
  222    H    LYS  31           H        LYS  31   3.090 -10.088   1.823
  223    HA   LYS  31           HA       LYS  31   0.899  -9.483   1.693
  224    HB2  LYS  31          2HB       LYS  31   0.547 -11.130   4.224
  225    HB3  LYS  31          1HB       LYS  31  -0.761 -10.488   3.254
  226    HG2  LYS  31          2HG       LYS  31   1.246 -12.498   2.252
  227    HG3  LYS  31          1HG       LYS  31  -0.306 -12.920   2.970
  228    HD2  LYS  31          2HD       LYS  31  -1.423 -11.591   1.193
  229    HD3  LYS  31          1HD       LYS  31   0.156 -11.331   0.451
  230    HE2  LYS  31          2HE       LYS  31   0.459 -13.680   0.081
  231    HE3  LYS  31          1HE       LYS  31  -0.978 -14.060   1.024
  232    HZ1  LYS  31          1HZ       LYS  31  -1.344 -14.199  -1.384
  233    HZ2  LYS  31          2HZ       LYS  31  -1.021 -12.552  -1.538
  234    HZ3  LYS  31          3HZ       LYS  31  -2.345 -13.076  -0.645
  235    H    VAL  32           H        VAL  32   2.932  -8.062   3.143
  236    HA   VAL  32           HA       VAL  32   1.336  -6.558   5.094
  237    HB   VAL  32           HB       VAL  32   4.358  -6.653   4.770
  238   HG11  VAL  32          1HG1      VAL  32   3.599  -4.509   5.636
  239   HG12  VAL  32          2HG1      VAL  32   4.434  -5.431   6.888
  240   HG13  VAL  32          3HG1      VAL  32   2.676  -5.332   6.893
  241   HG21  VAL  32          1HG2      VAL  32   4.399  -7.862   6.888
  242   HG22  VAL  32          2HG2      VAL  32   3.491  -8.754   5.664
  243   HG23  VAL  32          3HG2      VAL  32   2.638  -7.866   6.924
  244    H    CYS  33           H        CYS  33   0.957  -4.516   4.753
  245    HA   CYS  33           HA       CYS  33   1.665  -3.436   2.191
  246    HB2  CYS  33          2HB       CYS  33  -0.283  -2.636   4.322
  247    HB3  CYS  33          1HB       CYS  33   0.212  -1.509   3.061
  248    H    ASN  34           H        ASN  34   3.239  -2.141   1.828
  249    HA   ASN  34           HA       ASN  34   4.586  -0.826   4.102
  250    HB2  ASN  34          2HB       ASN  34   5.817  -1.604   1.454
  251    HB3  ASN  34          1HB       ASN  34   6.644  -1.016   2.886
  252   HD21  ASN  34          1HD2      ASN  34   5.121  -3.651   1.359
  253   HD22  ASN  34          2HD2      ASN  34   5.627  -4.893   2.445
  254    H    CYS  35           H        CYS  35   4.823   1.315   3.853
  255    HA   CYS  35           HA       CYS  35   4.272   2.494   1.195
  256    HB2  CYS  35          2HB       CYS  35   3.896   3.764   3.914
  257    HB3  CYS  35          1HB       CYS  35   3.407   4.425   2.363
  258    H    ARG  36           H        ARG  36   5.752   3.620   0.282
  259    HA   ARG  36           HA       ARG  36   7.704   5.159   1.460
  260    HB2  ARG  36          2HB       ARG  36   8.589   3.092   2.475
  261    HB3  ARG  36          1HB       ARG  36   8.696   2.360   0.883
  262    HG2  ARG  36          2HG       ARG  36  10.382   3.992   0.236
  263    HG3  ARG  36          1HG       ARG  36  10.259   4.749   1.826
  264    HD2  ARG  36          2HD       ARG  36  11.060   1.890   1.315
  265    HD3  ARG  36          1HD       ARG  36  12.182   3.211   1.645
  266    HE   ARG  36           HE       ARG  36  10.629   3.367   3.772
  267   HH11  ARG  36          1HH1      ARG  36  12.023   0.453   2.295
  268   HH12  ARG  36          2HH1      ARG  36  12.199  -0.379   3.759
  269   HH21  ARG  36          1HH2      ARG  36  10.866   2.208   5.796
  270   HH22  ARG  36          2HH2      ARG  36  11.542   0.648   5.794
  271    H    ARG  37           H        ARG  37   7.359   2.650  -1.038
  272    HA   ARG  37           HA       ARG  37   9.023   4.208  -2.716
  273    HB2  ARG  37          2HB       ARG  37   9.458   2.197  -3.932
  274    HB3  ARG  37          1HB       ARG  37   9.128   1.796  -2.243
  275    HG2  ARG  37          2HG       ARG  37   7.181   0.799  -2.626
  276    HG3  ARG  37          1HG       ARG  37   6.981   1.491  -4.249
  277    HD2  ARG  37          2HD       ARG  37   9.042  -0.554  -3.385
  278    HD3  ARG  37          1HD       ARG  37   7.610  -0.883  -4.360
  279    HE   ARG  37           HE       ARG  37   9.127   1.128  -5.578
  280   HH11  ARG  37          1HH1      ARG  37   9.355  -2.380  -4.986
  281   HH12  ARG  37          2HH1      ARG  37  10.266  -2.667  -6.389
  282   HH21  ARG  37          1HH2      ARG  37  10.410   0.681  -7.463
  283   HH22  ARG  37          2HH2      ARG  37  10.885  -0.922  -7.822
  Start of MODEL    3
    1    H1   GLY   1          1HT       GLY   1  -9.916  -0.580   7.057
    2    H2   GLY   1          2HT       GLY   1  -9.823  -1.899   5.986
    3    H3   GLY   1          3HT       GLY   1  -9.638  -0.340   5.408
    4    HA2  GLY   1          1HA       GLY   1  -7.612  -0.060   6.615
    5    HA3  GLY   1          2HA       GLY   1  -7.804  -1.694   7.249
    6    H    ILE   2           H        ILE   2  -5.544  -1.533   6.064
    7    HA   ILE   2           HA       ILE   2  -5.890  -2.071   3.257
    8    HB   ILE   2           HB       ILE   2  -3.384  -2.062   3.210
    9   HG12  ILE   2          2HG1      ILE   2  -3.768  -1.281   6.114
   10   HG13  ILE   2          1HG1      ILE   2  -2.850  -2.636   5.476
   11   HG21  ILE   2          1HG2      ILE   2  -3.219   0.365   3.403
   12   HG22  ILE   2          2HG2      ILE   2  -4.735   0.394   4.298
   13   HG23  ILE   2          3HG2      ILE   2  -4.724  -0.112   2.612
   14   HD11  ILE   2          1HD1      ILE   2  -1.274  -1.029   4.475
   15   HD12  ILE   2          2HD1      ILE   2  -1.354  -0.945   6.230
   16   HD13  ILE   2          3HD1      ILE   2  -2.169   0.278   5.250
   17    H    THR   3           H        THR   3  -5.497  -3.942   2.325
   18    HA   THR   3           HA       THR   3  -4.843  -6.280   3.944
   19    HB   THR   3           HB       THR   3  -7.261  -6.131   2.154
   20    HG1  THR   3          1HG       THR   3  -8.137  -5.046   3.702
   21   HG21  THR   3          1HG2      THR   3  -6.393  -8.382   2.579
   22   HG22  THR   3          2HG2      THR   3  -7.950  -8.172   3.381
   23   HG23  THR   3          3HG2      THR   3  -6.459  -8.096   4.318
   24    H    CYS   4           H        CYS   4  -4.074  -7.984   2.532
   25    HA   CYS   4           HA       CYS   4  -3.498  -7.017  -0.157
   26    HB2  CYS   4          2HB       CYS   4  -2.038  -9.055   1.486
   27    HB3  CYS   4          1HB       CYS   4  -1.619  -8.540  -0.145
   28    H    ASP   5           H        ASP   5  -4.585  -7.884  -1.660
   29    HA   ASP   5           HA       ASP   5  -5.140 -10.775  -1.606
   30    HB2  ASP   5          2HB       ASP   5  -7.179  -9.413  -1.934
   31    HB3  ASP   5          1HB       ASP   5  -6.404  -8.576  -3.275
   32    H    LEU   6           H        LEU   6  -3.867  -7.975  -3.242
   33    HA   LEU   6           HA       LEU   6  -2.472  -9.652  -5.154
   34    HB2  LEU   6          2HB       LEU   6  -3.110  -6.706  -5.172
   35    HB3  LEU   6          1HB       LEU   6  -2.254  -7.571  -6.428
   36    HG   LEU   6           HG       LEU   6  -5.144  -7.999  -5.668
   37   HD11  LEU   6          1HD1      LEU   6  -4.729  -5.853  -6.747
   38   HD12  LEU   6          2HD1      LEU   6  -5.645  -6.943  -7.782
   39   HD13  LEU   6          3HD1      LEU   6  -3.925  -6.680  -8.079
   40   HD21  LEU   6          1HD2      LEU   6  -3.513  -9.138  -7.928
   41   HD22  LEU   6          2HD2      LEU   6  -5.245  -9.364  -7.689
   42   HD23  LEU   6          3HD2      LEU   6  -4.100 -10.032  -6.526
   43    H    ILE   7           H        ILE   7  -0.346  -9.022  -5.496
   44    HA   ILE   7           HA       ILE   7   0.976  -7.714  -3.229
   45    HB   ILE   7           HB       ILE   7   2.036  -9.928  -5.035
   46   HG12  ILE   7          2HG1      ILE   7   1.248  -9.936  -2.113
   47   HG13  ILE   7          1HG1      ILE   7   0.361 -10.689  -3.421
   48   HG21  ILE   7          1HG2      ILE   7   4.010  -9.946  -3.569
   49   HG22  ILE   7          2HG2      ILE   7   3.355  -8.577  -2.670
   50   HG23  ILE   7          3HG2      ILE   7   3.820  -8.379  -4.359
   51   HD11  ILE   7          1HD1      ILE   7   1.622 -12.316  -2.115
   52   HD12  ILE   7          2HD1      ILE   7   3.122 -11.477  -2.527
   53   HD13  ILE   7          3HD1      ILE   7   2.166 -12.255  -3.789
   54    H    GLY   8           H        GLY   8   1.951  -5.896  -3.748
   55    HA2  GLY   8          2HA       GLY   8   2.995  -4.239  -5.025
   56    HA3  GLY   8          1HA       GLY   8   3.100  -5.399  -6.341
   57    H    ASN   9           H        ASN   9   0.378  -5.971  -6.620
   58    HA   ASN   9           HA       ASN   9  -0.452  -3.614  -8.162
   59    HB2  ASN   9          2HB       ASN   9  -1.527  -6.442  -8.122
   60    HB3  ASN   9          1HB       ASN   9  -2.125  -5.169  -9.174
   61   HD21  ASN   9          1HD2      ASN   9   0.414  -7.433  -8.571
   62   HD22  ASN   9          2HD2      ASN   9   1.262  -7.197 -10.043
   63    H    GLU  10           H        GLU  10  -0.702  -4.216  -5.256
   64    HA   GLU  10           HA       GLU  10  -3.527  -4.367  -4.787
   65    HB2  GLU  10          2HB       GLU  10  -1.907  -5.671  -3.509
   66    HB3  GLU  10          1HB       GLU  10  -1.189  -4.210  -2.879
   67    HG2  GLU  10          2HG       GLU  10  -2.657  -5.276  -1.318
   68    HG3  GLU  10          1HG       GLU  10  -3.249  -3.665  -1.796
   69    H    ARG  11           H        ARG  11  -3.685  -2.338  -6.002
   70    HA   ARG  11           HA       ARG  11  -2.766   0.144  -5.044
   71    HB2  ARG  11          2HB       ARG  11  -3.549  -0.264  -7.354
   72    HB3  ARG  11          1HB       ARG  11  -5.199  -0.351  -6.758
   73    HG2  ARG  11          2HG       ARG  11  -5.067   1.954  -5.998
   74    HG3  ARG  11          1HG       ARG  11  -3.396   2.051  -6.545
   75    HD2  ARG  11          2HD       ARG  11  -5.806   1.562  -8.288
   76    HD3  ARG  11          1HD       ARG  11  -4.936   3.082  -8.126
   77    HE   ARG  11           HE       ARG  11  -3.284   0.881  -8.967
   78   HH11  ARG  11          1HH1      ARG  11  -5.418   3.485 -10.061
   79   HH12  ARG  11          2HH1      ARG  11  -4.767   3.525 -11.642
   80   HH21  ARG  11          1HH2      ARG  11  -2.408   0.945 -11.186
   81   HH22  ARG  11          2HH2      ARG  11  -3.063   2.064 -12.276
   82    H    LEU  12           H        LEU  12  -5.492  -1.788  -4.166
   83    HA   LEU  12           HA       LEU  12  -7.011   0.214  -2.856
   84    HB2  LEU  12          2HB       LEU  12  -6.864  -2.736  -2.245
   85    HB3  LEU  12          1HB       LEU  12  -8.113  -1.644  -1.693
   86    HG   LEU  12           HG       LEU  12  -7.615  -2.538  -4.528
   87   HD11  LEU  12          1HD1      LEU  12  -8.664  -4.220  -3.162
   88   HD12  LEU  12          2HD1      LEU  12  -9.833  -3.549  -4.304
   89   HD13  LEU  12          3HD1      LEU  12  -9.869  -3.058  -2.612
   90   HD21  LEU  12          1HD2      LEU  12  -8.356  -0.207  -4.526
   91   HD22  LEU  12          2HD2      LEU  12  -9.709  -0.629  -3.476
   92   HD23  LEU  12          3HD2      LEU  12  -9.635  -1.270  -5.115
   93    H    CYS  13           H        CYS  13  -4.143  -1.485  -2.048
   94    HA   CYS  13           HA       CYS  13  -4.236  -0.646   0.705
   95    HB2  CYS  13          2HB       CYS  13  -3.225  -2.771   0.357
   96    HB3  CYS  13          1HB       CYS  13  -2.228  -2.148  -0.961
   97    H    VAL  14           H        VAL  14  -2.554   0.086  -2.285
   98    HA   VAL  14           HA       VAL  14  -0.616   1.904  -1.478
   99    HB   VAL  14           HB       VAL  14  -2.193   2.007  -4.047
  100   HG11  VAL  14          1HG1      VAL  14  -0.164   3.022  -5.025
  101   HG12  VAL  14          2HG1      VAL  14   0.567   3.052  -3.419
  102   HG13  VAL  14          3HG1      VAL  14  -0.871   4.015  -3.751
  103   HG21  VAL  14          1HG2      VAL  14  -0.449   0.580  -5.007
  104   HG22  VAL  14          2HG2      VAL  14  -1.245  -0.226  -3.647
  105   HG23  VAL  14          3HG2      VAL  14   0.343   0.498  -3.437
  106    H    VAL  15           H        VAL  15  -4.026   2.478  -2.170
  107    HA   VAL  15           HA       VAL  15  -4.078   5.238  -2.222
  108    HB   VAL  15           HB       VAL  15  -6.025   3.800  -2.766
  109   HG11  VAL  15          1HG1      VAL  15  -6.340   3.505   0.196
  110   HG12  VAL  15          2HG1      VAL  15  -5.961   2.232  -0.964
  111   HG13  VAL  15          3HG1      VAL  15  -7.538   3.025  -1.007
  112   HG21  VAL  15          1HG2      VAL  15  -6.625   5.944  -0.733
  113   HG22  VAL  15          2HG2      VAL  15  -7.790   5.262  -1.866
  114   HG23  VAL  15          3HG2      VAL  15  -6.406   6.174  -2.468
  115    H    HIS  16           H        HIS  16  -3.810   3.158   0.589
  116    HA   HIS  16           HA       HIS  16  -4.357   5.126   2.573
  117    HB2  HIS  16          2HB       HIS  16  -4.567   2.824   3.187
  118    HB3  HIS  16          1HB       HIS  16  -2.946   2.469   2.625
  119    HD1  HIS  16          1HD       HIS  16  -4.498   4.633   5.412
  120    HD2  HIS  16          2HD       HIS  16  -1.209   2.272   4.556
  121    HE1  HIS  16          1HE       HIS  16  -3.089   4.594   7.529
  122    H    CYS  17           H        CYS  17  -1.435   3.945   1.087
  123    HA   CYS  17           HA       CYS  17   0.363   5.502   2.649
  124    HB2  CYS  17          2HB       CYS  17   0.707   4.414  -0.144
  125    HB3  CYS  17          1HB       CYS  17   1.992   4.904   0.956
  126    H    LEU  18           H        LEU  18  -1.291   6.044  -0.411
  127    HA   LEU  18           HA       LEU  18  -0.094   8.557  -0.930
  128    HB2  LEU  18          2HB       LEU  18  -2.749   7.447  -1.847
  129    HB3  LEU  18          1HB       LEU  18  -1.971   8.868  -2.514
  130    HG   LEU  18           HG       LEU  18  -0.861   6.060  -2.644
  131   HD11  LEU  18          1HD1      LEU  18  -2.165   7.746  -4.771
  132   HD12  LEU  18          2HD1      LEU  18  -2.844   6.297  -4.026
  133   HD13  LEU  18          3HD1      LEU  18  -1.396   6.180  -5.026
  134   HD21  LEU  18          1HD2      LEU  18   0.745   7.023  -4.234
  135   HD22  LEU  18          2HD2      LEU  18   0.904   7.737  -2.632
  136   HD23  LEU  18          3HD2      LEU  18   0.088   8.628  -3.918
  137    H    ALA  19           H        ALA  19  -2.879   7.554   0.958
  138    HA   ALA  19           HA       ALA  19  -3.925  10.146   1.428
  139    HB1  ALA  19          1HB       ALA  19  -4.189   7.657   3.124
  140    HB2  ALA  19          2HB       ALA  19  -5.244   8.089   1.781
  141    HB3  ALA  19          3HB       ALA  19  -5.205   9.096   3.231
  142    H    LYS  20           H        LYS  20  -1.688   8.076   3.168
  143    HA   LYS  20           HA       LYS  20  -1.216   9.809   5.362
  144    HB2  LYS  20          2HB       LYS  20   0.548   7.679   4.163
  145    HB3  LYS  20          1HB       LYS  20   0.869   8.477   5.700
  146    HG2  LYS  20          2HG       LYS  20  -1.154   7.530   6.632
  147    HG3  LYS  20          1HG       LYS  20  -1.575   6.827   5.070
  148    HD2  LYS  20          2HD       LYS  20  -0.634   5.088   6.411
  149    HD3  LYS  20          1HD       LYS  20   0.549   5.510   5.180
  150    HE2  LYS  20          2HE       LYS  20   1.683   5.202   7.272
  151    HE3  LYS  20          1HE       LYS  20   1.696   6.916   6.852
  152    HZ1  LYS  20          1HZ       LYS  20  -0.115   7.266   8.429
  153    HZ2  LYS  20          2HZ       LYS  20   1.221   6.582   9.175
  154    HZ3  LYS  20          3HZ       LYS  20  -0.109   5.626   8.824
  155    H    GLY  21           H        GLY  21   0.071   9.685   2.148
  156    HA2  GLY  21          2HA       GLY  21   0.809  11.837   1.223
  157    HA3  GLY  21          1HA       GLY  21   1.588  12.154   2.769
  158    H    PHE  22           H        PHE  22   1.755   9.005   1.556
  159    HA   PHE  22           HA       PHE  22   4.600   9.182   1.269
  160    HB2  PHE  22          2HB       PHE  22   2.585   7.028   1.435
  161    HB3  PHE  22          1HB       PHE  22   4.076   6.574   0.646
  162    HD1  PHE  22          1HD       PHE  22   6.060   6.488   1.779
  163    HD2  PHE  22          2HD       PHE  22   2.527   7.658   3.768
  164    HE1  PHE  22          1HE       PHE  22   7.163   6.128   3.821
  165    HE2  PHE  22          2HE       PHE  22   3.633   7.307   5.945
  166    HZ   PHE  22           HZ       PHE  22   5.975   6.537   6.005
  167    H    ARG  23           H        ARG  23   5.717   8.433  -0.560
  168    HA   ARG  23           HA       ARG  23   4.904   9.352  -3.055
  169    HB2  ARG  23          2HB       ARG  23   6.847   7.144  -2.368
  170    HB3  ARG  23          1HB       ARG  23   6.723   7.907  -3.940
  171    HG2  ARG  23          2HG       ARG  23   7.451  10.011  -3.020
  172    HG3  ARG  23          1HG       ARG  23   7.470   9.330  -1.393
  173    HD2  ARG  23          2HD       ARG  23   9.713   9.377  -2.288
  174    HD3  ARG  23          1HD       ARG  23   9.165   7.709  -2.124
  175    HE   ARG  23           HE       ARG  23   8.897   9.055  -4.690
  176   HH11  ARG  23          1HH1      ARG  23  10.364   6.474  -2.778
  177   HH12  ARG  23          2HH1      ARG  23  11.203   5.771  -4.080
  178   HH21  ARG  23          1HH2      ARG  23  10.056   8.112  -6.482
  179   HH22  ARG  23          2HH2      ARG  23  11.021   6.725  -6.270
  180    H    GLY  24           H        GLY  24   4.386   6.362  -1.366
  181    HA2  GLY  24          2HA       GLY  24   2.103   5.628  -2.593
  182    HA3  GLY  24          1HA       GLY  24   3.385   4.981  -3.618
  183    H    GLY  25           H        GLY  25   2.345   2.936  -2.906
  184    HA2  GLY  25          2HA       GLY  25   3.750   1.918  -0.640
  185    HA3  GLY  25          1HA       GLY  25   2.001   1.982  -0.451
  186    H    TRP  26           H        TRP  26   3.079  -0.426  -0.345
  187    HA   TRP  26           HA       TRP  26   1.914  -1.710  -2.604
  188    HB2  TRP  26          2HB       TRP  26   3.868  -2.815  -3.472
  189    HB3  TRP  26          1HB       TRP  26   4.236  -1.099  -3.445
  190    HD1  TRP  26           HD       TRP  26   5.619  -4.358  -2.455
  191    HE1  TRP  26          1HE       TRP  26   7.679  -4.081  -0.930
  192    HE3  TRP  26          3HE       TRP  26   5.123   0.571  -1.288
  193    HZ2  TRP  26          2HZ       TRP  26   8.902  -2.082   0.575
  194    HZ3  TRP  26          3HZ       TRP  26   6.742   1.618   0.227
  195    HH2  TRP  26           HH       TRP  26   8.628   0.305   1.146
  196    H    CYS  27           H        CYS  27   1.905  -4.005  -2.243
  197    HA   CYS  27           HA       CYS  27   2.335  -4.703   0.561
  198    HB2  CYS  27          2HB       CYS  27   0.032  -5.065  -0.279
  199    HB3  CYS  27          1HB       CYS  27   0.676  -6.086  -1.565
  200    H    ASP  28           H        ASP  28   3.826  -6.244   0.996
  201    HA   ASP  28           HA       ASP  28   5.375  -7.124  -1.328
  202    HB2  ASP  28          2HB       ASP  28   7.313  -7.362   0.087
  203    HB3  ASP  28          1HB       ASP  28   6.526  -5.889   0.576
  204    H    SER  29           H        SER  29   6.587  -9.358  -0.648
  205    HA   SER  29           HA       SER  29   4.671 -11.301  -1.133
  206    HB2  SER  29          2HB       SER  29   7.514 -11.642  -0.188
  207    HB3  SER  29          1HB       SER  29   6.518 -12.895  -0.936
  208    HG   SER  29           HG       SER  29   6.443 -11.733  -2.795
  209    H    ARG  30           H        ARG  30   5.645 -10.052   1.945
  210    HA   ARG  30           HA       ARG  30   4.901 -12.395   3.478
  211    HB2  ARG  30          2HB       ARG  30   5.259  -9.526   4.331
  212    HB3  ARG  30          1HB       ARG  30   5.039 -10.883   5.416
  213    HG2  ARG  30          2HG       ARG  30   7.177 -11.769   4.824
  214    HG3  ARG  30          1HG       ARG  30   7.347 -10.577   3.526
  215    HD2  ARG  30          2HD       ARG  30   7.176  -9.972   6.478
  216    HD3  ARG  30          1HD       ARG  30   8.628  -9.872   5.474
  217    HE   ARG  30           HE       ARG  30   6.838  -8.300   4.191
  218   HH11  ARG  30          1HH1      ARG  30   8.191  -8.244   7.477
  219   HH12  ARG  30          2HH1      ARG  30   7.949  -6.579   7.702
  220   HH21  ARG  30          1HH2      ARG  30   6.472  -6.091   4.498
  221   HH22  ARG  30          2HH2      ARG  30   6.916  -5.269   5.934
  222    H    LYS  31           H        LYS  31   3.111 -10.242   1.707
  223    HA   LYS  31           HA       LYS  31   0.929  -9.655   1.569
  224    HB2  LYS  31          2HB       LYS  31   0.583 -11.605   3.866
  225    HB3  LYS  31          1HB       LYS  31  -0.761 -10.767   3.111
  226    HG2  LYS  31          2HG       LYS  31   1.105 -12.685   1.729
  227    HG3  LYS  31          1HG       LYS  31  -0.487 -13.099   2.363
  228    HD2  LYS  31          2HD       LYS  31  -1.405 -11.273   0.857
  229    HD3  LYS  31          1HD       LYS  31   0.190 -11.228   0.100
  230    HE2  LYS  31          2HE       LYS  31  -1.312 -12.665  -1.164
  231    HE3  LYS  31          1HE       LYS  31  -0.012 -13.615  -0.441
  232    HZ1  LYS  31          1HZ       LYS  31  -1.524 -14.318   1.303
  233    HZ2  LYS  31          2HZ       LYS  31  -2.226 -14.654  -0.188
  234    HZ3  LYS  31          3HZ       LYS  31  -2.734 -13.329   0.704
  235    H    VAL  32           H        VAL  32   2.860  -8.272   3.078
  236    HA   VAL  32           HA       VAL  32   1.215  -6.883   5.090
  237    HB   VAL  32           HB       VAL  32   4.229  -6.842   4.808
  238   HG11  VAL  32          1HG1      VAL  32   2.463  -5.779   7.007
  239   HG12  VAL  32          2HG1      VAL  32   3.349  -4.826   5.820
  240   HG13  VAL  32          3HG1      VAL  32   4.227  -5.777   7.018
  241   HG21  VAL  32          1HG2      VAL  32   4.328  -8.223   6.839
  242   HG22  VAL  32          2HG2      VAL  32   3.489  -9.067   5.532
  243   HG23  VAL  32          3HG2      VAL  32   2.568  -8.333   6.843
  244    H    CYS  33           H        CYS  33   0.826  -4.834   4.782
  245    HA   CYS  33           HA       CYS  33   1.598  -3.669   2.288
  246    HB2  CYS  33          2HB       CYS  33  -0.421  -2.976   4.408
  247    HB3  CYS  33          1HB       CYS  33   0.211  -1.730   3.320
  248    H    ASN  34           H        ASN  34   3.066  -2.174   1.977
  249    HA   ASN  34           HA       ASN  34   4.408  -0.916   4.297
  250    HB2  ASN  34          2HB       ASN  34   5.738  -1.696   1.696
  251    HB3  ASN  34          1HB       ASN  34   6.511  -1.111   3.156
  252   HD21  ASN  34          1HD2      ASN  34   5.154  -3.792   1.525
  253   HD22  ASN  34          2HD2      ASN  34   5.669  -5.020   2.621
  254    H    CYS  35           H        CYS  35   4.922   1.291   3.955
  255    HA   CYS  35           HA       CYS  35   4.031   2.437   1.383
  256    HB2  CYS  35          2HB       CYS  35   4.012   3.737   4.119
  257    HB3  CYS  35          1HB       CYS  35   3.526   4.514   2.622
  258    H    ARG  36           H        ARG  36   5.522   3.512   0.194
  259    HA   ARG  36           HA       ARG  36   7.492   5.221   1.052
  260    HB2  ARG  36          2HB       ARG  36   8.464   3.142   2.130
  261    HB3  ARG  36          1HB       ARG  36   8.725   2.527   0.504
  262    HG2  ARG  36          2HG       ARG  36  10.125   4.495   0.027
  263    HG3  ARG  36          1HG       ARG  36   9.939   5.001   1.707
  264    HD2  ARG  36          2HD       ARG  36  11.203   2.456   0.707
  265    HD3  ARG  36          1HD       ARG  36  12.035   3.833   1.420
  266    HE   ARG  36           HE       ARG  36  10.236   3.021   3.320
  267   HH11  ARG  36          1HH1      ARG  36  12.952   1.613   1.588
  268   HH12  ARG  36          2HH1      ARG  36  13.373   0.505   2.807
  269   HH21  ARG  36          1HH2      ARG  36  10.759   1.439   5.005
  270   HH22  ARG  36          2HH2      ARG  36  12.082   0.386   4.798
  271    H    ARG  37           H        ARG  37   6.813   2.594  -1.230
  272    HA   ARG  37           HA       ARG  37   8.333   3.921  -3.310
  273    HB2  ARG  37          2HB       ARG  37   6.994   1.215  -3.274
  274    HB3  ARG  37          1HB       ARG  37   8.032   1.830  -4.552
  275    HG2  ARG  37          2HG       ARG  37   9.847   1.968  -2.799
  276    HG3  ARG  37          1HG       ARG  37   8.728   1.087  -1.753
  277    HD2  ARG  37          2HD       ARG  37  10.298  -0.440  -2.887
  278    HD3  ARG  37          1HD       ARG  37   8.621  -0.748  -3.344
  279    HE   ARG  37           HE       ARG  37   9.837   1.078  -5.119
  280   HH11  ARG  37          1HH1      ARG  37   9.827  -2.400  -4.382
  281   HH12  ARG  37          2HH1      ARG  37  10.175  -2.866  -5.976
  282   HH21  ARG  37          1HH2      ARG  37  10.303   0.392  -7.315
  283   HH22  ARG  37          2HH2      ARG  37  10.428  -1.271  -7.666
  Start of MODEL    4
    1    H1   GLY   1          1HT       GLY   1  -8.647   0.273   5.546
    2    H2   GLY   1          2HT       GLY   1  -9.527  -0.172   6.920
    3    H3   GLY   1          3HT       GLY   1  -9.476  -1.182   5.565
    4    HA2  GLY   1          1HA       GLY   1  -7.123  -0.546   7.199
    5    HA3  GLY   1          2HA       GLY   1  -8.083  -2.017   7.315
    6    H    ILE   2           H        ILE   2  -5.294  -0.955   6.150
    7    HA   ILE   2           HA       ILE   2  -5.361  -1.798   3.503
    8    HB   ILE   2           HB       ILE   2  -2.831  -1.982   3.771
    9   HG12  ILE   2          2HG1      ILE   2  -3.558  -0.848   6.482
   10   HG13  ILE   2          1HG1      ILE   2  -2.667  -2.324   6.150
   11   HG21  ILE   2          1HG2      ILE   2  -4.242   0.604   4.345
   12   HG22  ILE   2          2HG2      ILE   2  -3.940  -0.104   2.760
   13   HG23  ILE   2          3HG2      ILE   2  -2.589   0.449   3.751
   14   HD11  ILE   2          1HD1      ILE   2  -0.817  -1.004   5.265
   15   HD12  ILE   2          2HD1      ILE   2  -1.212  -0.517   6.917
   16   HD13  ILE   2          3HD1      ILE   2  -1.749   0.462   5.543
   17    H    THR   3           H        THR   3  -5.453  -3.598   2.606
   18    HA   THR   3           HA       THR   3  -4.851  -6.065   4.069
   19    HB   THR   3           HB       THR   3  -7.167  -5.582   2.186
   20    HG1  THR   3          1HG       THR   3  -7.242  -4.399   4.256
   21   HG21  THR   3          1HG2      THR   3  -6.466  -7.921   2.389
   22   HG22  THR   3          2HG2      THR   3  -8.045  -7.685   3.143
   23   HG23  THR   3          3HG2      THR   3  -6.600  -7.823   4.145
   24    H    CYS   4           H        CYS   4  -3.876  -7.620   2.663
   25    HA   CYS   4           HA       CYS   4  -3.370  -6.596  -0.019
   26    HB2  CYS   4          2HB       CYS   4  -1.581  -8.289   1.689
   27    HB3  CYS   4          1HB       CYS   4  -1.252  -7.797   0.030
   28    H    ASP   5           H        ASP   5  -4.706  -7.589  -1.258
   29    HA   ASP   5           HA       ASP   5  -5.021 -10.472  -1.073
   30    HB2  ASP   5          2HB       ASP   5  -7.072  -9.239  -1.424
   31    HB3  ASP   5          1HB       ASP   5  -6.332  -8.305  -2.714
   32    H    LEU   6           H        LEU   6  -3.768  -7.840  -2.992
   33    HA   LEU   6           HA       LEU   6  -2.349  -9.711  -4.705
   34    HB2  LEU   6          2HB       LEU   6  -3.086  -6.810  -5.084
   35    HB3  LEU   6          1HB       LEU   6  -2.125  -7.745  -6.205
   36    HG   LEU   6           HG       LEU   6  -5.022  -8.246  -5.519
   37   HD11  LEU   6          1HD1      LEU   6  -3.754  -7.125  -8.014
   38   HD12  LEU   6          2HD1      LEU   6  -4.695  -6.217  -6.831
   39   HD13  LEU   6          3HD1      LEU   6  -5.468  -7.477  -7.792
   40   HD21  LEU   6          1HD2      LEU   6  -4.942  -9.838  -7.401
   41   HD22  LEU   6          2HD2      LEU   6  -3.898 -10.317  -6.069
   42   HD23  LEU   6          3HD2      LEU   6  -3.201  -9.586  -7.516
   43    H    ILE   7           H        ILE   7  -0.229  -9.083  -5.160
   44    HA   ILE   7           HA       ILE   7   1.136  -7.624  -3.026
   45    HB   ILE   7           HB       ILE   7   2.106  -9.777  -4.921
   46   HG12  ILE   7          2HG1      ILE   7   1.850  -9.661  -1.925
   47   HG13  ILE   7          1HG1      ILE   7   0.789 -10.528  -3.001
   48   HG21  ILE   7          1HG2      ILE   7   4.305  -9.633  -3.819
   49   HG22  ILE   7          2HG2      ILE   7   3.749  -8.222  -2.916
   50   HG23  ILE   7          3HG2      ILE   7   3.899  -8.141  -4.669
   51   HD11  ILE   7          1HD1      ILE   7   3.714 -11.133  -2.700
   52   HD12  ILE   7          2HD1      ILE   7   2.527 -12.078  -3.598
   53   HD13  ILE   7          3HD1      ILE   7   2.431 -11.978  -1.841
   54    H    GLY   8           H        GLY   8   1.804  -5.697  -3.544
   55    HA2  GLY   8          2HA       GLY   8   2.818  -3.971  -4.734
   56    HA3  GLY   8          1HA       GLY   8   3.084  -5.103  -6.050
   57    H    ASN   9           H        ASN   9   0.408  -5.817  -6.453
   58    HA   ASN   9           HA       ASN   9  -0.460  -3.571  -8.132
   59    HB2  ASN   9          2HB       ASN   9  -1.507  -6.404  -7.925
   60    HB3  ASN   9          1HB       ASN   9  -2.040  -5.219  -9.105
   61   HD21  ASN   9          1HD2      ASN   9   0.437  -7.463  -8.209
   62   HD22  ASN   9          2HD2      ASN   9   1.344  -7.362  -9.650
   63    H    GLU  10           H        GLU  10  -0.820  -4.195  -5.163
   64    HA   GLU  10           HA       GLU  10  -3.642  -4.359  -4.848
   65    HB2  GLU  10          2HB       GLU  10  -2.160  -5.620  -3.441
   66    HB3  GLU  10          1HB       GLU  10  -1.382  -4.170  -2.860
   67    HG2  GLU  10          2HG       GLU  10  -2.899  -5.056  -1.276
   68    HG3  GLU  10          1HG       GLU  10  -3.447  -3.474  -1.875
   69    H    ARG  11           H        ARG  11  -3.958  -2.512  -5.985
   70    HA   ARG  11           HA       ARG  11  -3.209   0.114  -5.460
   71    HB2  ARG  11          2HB       ARG  11  -4.314  -0.602  -7.499
   72    HB3  ARG  11          1HB       ARG  11  -5.784  -0.924  -6.598
   73    HG2  ARG  11          2HG       ARG  11  -6.087   1.420  -6.161
   74    HG3  ARG  11          1HG       ARG  11  -4.540   1.792  -6.928
   75    HD2  ARG  11          2HD       ARG  11  -6.887   0.489  -8.280
   76    HD3  ARG  11          1HD       ARG  11  -6.451   2.189  -8.435
   77    HE   ARG  11           HE       ARG  11  -4.189   1.024  -9.177
   78   HH11  ARG  11          1HH1      ARG  11  -7.515   0.326 -10.194
   79   HH12  ARG  11          2HH1      ARG  11  -7.061  -0.291 -11.714
   80   HH21  ARG  11          1HH2      ARG  11  -3.598   0.178 -11.275
   81   HH22  ARG  11          2HH2      ARG  11  -4.786  -0.409 -12.325
   82    H    LEU  12           H        LEU  12  -5.755  -1.793  -3.980
   83    HA   LEU  12           HA       LEU  12  -7.023   0.333  -2.603
   84    HB2  LEU  12          2HB       LEU  12  -6.910  -2.605  -1.958
   85    HB3  LEU  12          1HB       LEU  12  -7.936  -1.462  -1.117
   86    HG   LEU  12           HG       LEU  12  -8.130  -2.202  -4.039
   87   HD11  LEU  12          1HD1      LEU  12  -9.923  -2.854  -1.709
   88   HD12  LEU  12          2HD1      LEU  12  -8.869  -3.980  -2.561
   89   HD13  LEU  12          3HD1      LEU  12 -10.237  -3.251  -3.398
   90   HD21  LEU  12          1HD2      LEU  12 -10.201  -0.885  -4.005
   91   HD22  LEU  12          2HD2      LEU  12  -8.788   0.110  -3.684
   92   HD23  LEU  12          3HD2      LEU  12  -9.843  -0.377  -2.356
   93    H    CYS  13           H        CYS  13  -4.103  -1.350  -2.045
   94    HA   CYS  13           HA       CYS  13  -3.904  -0.396   0.668
   95    HB2  CYS  13          2HB       CYS  13  -2.978  -2.578   0.195
   96    HB3  CYS  13          1HB       CYS  13  -1.987  -1.921  -1.106
   97    H    VAL  14           H        VAL  14  -2.406   0.131  -2.493
   98    HA   VAL  14           HA       VAL  14  -0.450   2.001  -1.872
   99    HB   VAL  14           HB       VAL  14  -2.120   2.120  -4.375
  100   HG11  VAL  14          1HG1      VAL  14  -0.028   2.901  -5.425
  101   HG12  VAL  14          2HG1      VAL  14   0.749   2.862  -3.843
  102   HG13  VAL  14          3HG1      VAL  14  -0.594   3.966  -4.137
  103   HG21  VAL  14          1HG2      VAL  14  -0.598   0.515  -5.397
  104   HG22  VAL  14          2HG2      VAL  14  -1.420  -0.205  -4.015
  105   HG23  VAL  14          3HG2      VAL  14   0.257   0.326  -3.868
  106    H    VAL  15           H        VAL  15  -3.854   2.544  -2.663
  107    HA   VAL  15           HA       VAL  15  -3.820   5.322  -2.765
  108    HB   VAL  15           HB       VAL  15  -5.702   3.927  -3.569
  109   HG11  VAL  15          1HG1      VAL  15  -6.416   3.601  -0.680
  110   HG12  VAL  15          2HG1      VAL  15  -5.876   2.340  -1.787
  111   HG13  VAL  15          3HG1      VAL  15  -7.431   3.138  -2.048
  112   HG21  VAL  15          1HG2      VAL  15  -6.073   6.310  -3.277
  113   HG22  VAL  15          2HG2      VAL  15  -6.530   6.050  -1.595
  114   HG23  VAL  15          3HG2      VAL  15  -7.541   5.411  -2.890
  115    H    HIS  16           H        HIS  16  -3.879   3.207   0.007
  116    HA   HIS  16           HA       HIS  16  -4.723   5.206   1.870
  117    HB2  HIS  16          2HB       HIS  16  -5.101   2.805   2.359
  118    HB3  HIS  16          1HB       HIS  16  -3.369   2.537   2.314
  119    HD1  HIS  16          1HD       HIS  16  -5.970   4.304   4.416
  120    HD2  HIS  16          2HD       HIS  16  -2.060   2.942   4.618
  121    HE1  HIS  16          1HE       HIS  16  -5.235   4.598   6.834
  122    H    CYS  17           H        CYS  17  -1.663   3.826   0.849
  123    HA   CYS  17           HA       CYS  17   0.001   5.307   2.609
  124    HB2  CYS  17          2HB       CYS  17   0.627   4.291  -0.169
  125    HB3  CYS  17          1HB       CYS  17   1.785   4.743   1.078
  126    H    LEU  18           H        LEU  18  -1.278   5.975  -0.616
  127    HA   LEU  18           HA       LEU  18   0.030   8.456  -0.963
  128    HB2  LEU  18          2HB       LEU  18  -2.592   7.502  -2.121
  129    HB3  LEU  18          1HB       LEU  18  -1.672   8.875  -2.693
  130    HG   LEU  18           HG       LEU  18  -0.787   5.991  -2.818
  131   HD11  LEU  18          1HD1      LEU  18  -1.086   6.237  -5.226
  132   HD12  LEU  18          2HD1      LEU  18  -1.707   7.868  -4.985
  133   HD13  LEU  18          3HD1      LEU  18  -2.602   6.484  -4.360
  134   HD21  LEU  18          1HD2      LEU  18   1.051   6.841  -4.198
  135   HD22  LEU  18          2HD2      LEU  18   1.110   7.497  -2.563
  136   HD23  LEU  18          3HD2      LEU  18   0.512   8.493  -3.893
  137    H    ALA  19           H        ALA  19  -2.962   7.524   0.622
  138    HA   ALA  19           HA       ALA  19  -3.977  10.133   1.052
  139    HB1  ALA  19          1HB       ALA  19  -4.462   7.629   2.672
  140    HB2  ALA  19          2HB       ALA  19  -5.371   8.106   1.239
  141    HB3  ALA  19          3HB       ALA  19  -5.448   9.092   2.703
  142    H    LYS  20           H        LYS  20  -2.021   7.960   3.042
  143    HA   LYS  20           HA       LYS  20  -1.774   9.785   5.186
  144    HB2  LYS  20          2HB       LYS  20  -0.197   7.324   4.480
  145    HB3  LYS  20          1HB       LYS  20   0.263   8.342   5.836
  146    HG2  LYS  20          2HG       LYS  20  -2.021   7.975   6.799
  147    HG3  LYS  20          1HG       LYS  20  -2.330   6.852   5.479
  148    HD2  LYS  20          2HD       LYS  20  -0.694   5.353   6.216
  149    HD3  LYS  20          1HD       LYS  20   0.035   6.535   7.315
  150    HE2  LYS  20          2HE       LYS  20  -2.721   5.324   7.585
  151    HE3  LYS  20          1HE       LYS  20  -1.292   4.792   8.464
  152    HZ1  LYS  20          1HZ       LYS  20  -1.173   6.964   9.511
  153    HZ2  LYS  20          2HZ       LYS  20  -2.668   6.264   9.805
  154    HZ3  LYS  20          3HZ       LYS  20  -2.534   7.498   8.683
  155    H    GLY  21           H        GLY  21  -0.090   9.513   2.210
  156    HA2  GLY  21          2HA       GLY  21   0.815  11.714   1.501
  157    HA3  GLY  21          1HA       GLY  21   1.515  11.835   3.109
  158    H    PHE  22           H        PHE  22   1.647   8.743   1.962
  159    HA   PHE  22           HA       PHE  22   4.477   8.847   1.652
  160    HB2  PHE  22          2HB       PHE  22   2.402   6.743   1.708
  161    HB3  PHE  22          1HB       PHE  22   3.920   6.281   0.963
  162    HD1  PHE  22          1HD       PHE  22   2.207   7.075   4.058
  163    HD2  PHE  22          2HD       PHE  22   5.928   6.387   2.166
  164    HE1  PHE  22          1HE       PHE  22   3.247   6.671   6.248
  165    HE2  PHE  22          2HE       PHE  22   6.972   5.987   4.206
  166    HZ   PHE  22           HZ       PHE  22   5.662   6.116   6.369
  167    H    ARG  23           H        ARG  23   5.633   8.168  -0.166
  168    HA   ARG  23           HA       ARG  23   4.679   9.264  -2.593
  169    HB2  ARG  23          2HB       ARG  23   7.109   7.562  -2.005
  170    HB3  ARG  23          1HB       ARG  23   6.800   8.362  -3.539
  171    HG2  ARG  23          2HG       ARG  23   7.102   9.788  -0.901
  172    HG3  ARG  23          1HG       ARG  23   8.383   9.600  -2.102
  173    HD2  ARG  23          2HD       ARG  23   5.735  10.987  -2.557
  174    HD3  ARG  23          1HD       ARG  23   7.266  11.794  -2.249
  175    HE   ARG  23           HE       ARG  23   7.944  10.350  -4.305
  176   HH11  ARG  23          1HH1      ARG  23   5.059  12.349  -3.870
  177   HH12  ARG  23          2HH1      ARG  23   4.830  12.625  -5.536
  178   HH21  ARG  23          1HH2      ARG  23   7.608  10.722  -6.578
  179   HH22  ARG  23          2HH2      ARG  23   6.291  11.659  -7.102
  180    H    GLY  24           H        GLY  24   4.274   6.272  -1.090
  181    HA2  GLY  24          2HA       GLY  24   2.339   5.377  -2.763
  182    HA3  GLY  24          1HA       GLY  24   3.833   4.758  -3.468
  183    H    GLY  25           H        GLY  25   2.540   2.743  -2.833
  184    HA2  GLY  25          2HA       GLY  25   3.746   1.729  -0.474
  185    HA3  GLY  25          1HA       GLY  25   1.990   1.892  -0.338
  186    H    TRP  26           H        TRP  26   3.481  -0.520  -0.283
  187    HA   TRP  26           HA       TRP  26   2.302  -1.832  -2.584
  188    HB2  TRP  26          2HB       TRP  26   4.326  -2.910  -3.276
  189    HB3  TRP  26          1HB       TRP  26   4.675  -1.188  -3.194
  190    HD1  TRP  26           HD       TRP  26   5.908  -4.491  -1.965
  191    HE1  TRP  26          1HE       TRP  26   7.839  -4.176  -0.266
  192    HE3  TRP  26          3HE       TRP  26   5.488   0.505  -1.164
  193    HZ2  TRP  26          2HZ       TRP  26   8.993  -2.116   1.204
  194    HZ3  TRP  26          3HZ       TRP  26   7.017   1.598   0.411
  195    HH2  TRP  26           HH       TRP  26   8.758   0.301   1.581
  196    H    CYS  27           H        CYS  27   1.854  -3.928  -2.131
  197    HA   CYS  27           HA       CYS  27   2.336  -4.833   0.568
  198    HB2  CYS  27          2HB       CYS  27   0.865  -6.081  -1.751
  199    HB3  CYS  27          1HB       CYS  27   1.027  -6.836  -0.163
  200    H    ASP  28           H        ASP  28   3.911  -6.167   1.059
  201    HA   ASP  28           HA       ASP  28   5.713  -6.888  -1.095
  202    HB2  ASP  28          2HB       ASP  28   7.390  -7.354   0.561
  203    HB3  ASP  28          1HB       ASP  28   6.562  -5.908   1.084
  204    H    SER  29           H        SER  29   6.847  -9.176  -0.416
  205    HA   SER  29           HA       SER  29   5.173 -11.083  -1.488
  206    HB2  SER  29          2HB       SER  29   7.663 -11.117  -1.497
  207    HB3  SER  29          1HB       SER  29   7.623 -11.616   0.191
  208    HG   SER  29           HG       SER  29   6.579 -12.975  -2.049
  209    H    ARG  30           H        ARG  30   5.542 -10.201   1.877
  210    HA   ARG  30           HA       ARG  30   4.343 -12.645   2.898
  211    HB2  ARG  30          2HB       ARG  30   5.020 -10.045   4.249
  212    HB3  ARG  30          1HB       ARG  30   4.526 -11.517   5.064
  213    HG2  ARG  30          2HG       ARG  30   6.544 -12.599   4.538
  214    HG3  ARG  30          1HG       ARG  30   6.970 -11.379   3.329
  215    HD2  ARG  30          2HD       ARG  30   6.749 -10.932   6.301
  216    HD3  ARG  30          1HD       ARG  30   8.247 -11.026   5.359
  217    HE   ARG  30           HE       ARG  30   6.688  -9.101   4.158
  218   HH11  ARG  30          1HH1      ARG  30   8.335  -9.438   7.274
  219   HH12  ARG  30          2HH1      ARG  30   8.431  -7.762   7.554
  220   HH21  ARG  30          1HH2      ARG  30   6.721  -6.887   4.563
  221   HH22  ARG  30          2HH2      ARG  30   7.459  -6.243   5.967
  222    H    LYS  31           H        LYS  31   3.010 -10.242   1.213
  223    HA   LYS  31           HA       LYS  31   0.933  -9.364   0.929
  224    HB2  LYS  31          2HB       LYS  31   0.113 -11.367   3.064
  225    HB3  LYS  31          1HB       LYS  31  -1.015 -10.414   2.130
  226    HG2  LYS  31          2HG       LYS  31   0.891 -12.414   0.917
  227    HG3  LYS  31          1HG       LYS  31  -0.749 -12.806   1.413
  228    HD2  LYS  31          2HD       LYS  31  -1.589 -11.080  -0.180
  229    HD3  LYS  31          1HD       LYS  31   0.074 -10.816  -0.716
  230    HE2  LYS  31          2HE       LYS  31   0.236 -13.148  -1.424
  231    HE3  LYS  31          1HE       LYS  31  -1.395 -13.456  -0.845
  232    HZ1  LYS  31          1HZ       LYS  31  -2.245 -11.934  -2.573
  233    HZ2  LYS  31          2HZ       LYS  31  -1.296 -13.150  -3.244
  234    HZ3  LYS  31          3HZ       LYS  31  -0.666 -11.636  -3.098
  235    H    VAL  32           H        VAL  32   2.799  -8.183   2.703
  236    HA   VAL  32           HA       VAL  32   1.077  -6.887   4.730
  237    HB   VAL  32           HB       VAL  32   4.110  -6.935   4.544
  238   HG11  VAL  32          1HG1      VAL  32   2.315  -5.922   6.747
  239   HG12  VAL  32          2HG1      VAL  32   3.270  -4.932   5.647
  240   HG13  VAL  32          3HG1      VAL  32   4.076  -5.990   6.806
  241   HG21  VAL  32          1HG2      VAL  32   3.231  -9.142   5.106
  242   HG22  VAL  32          2HG2      VAL  32   2.330  -8.432   6.450
  243   HG23  VAL  32          3HG2      VAL  32   4.094  -8.413   6.460
  244    H    CYS  33           H        CYS  33   0.615  -4.838   4.514
  245    HA   CYS  33           HA       CYS  33   1.423  -3.404   2.186
  246    HB2  CYS  33          2HB       CYS  33  -0.349  -2.850   4.528
  247    HB3  CYS  33          1HB       CYS  33   0.224  -1.531   3.516
  248    H    ASN  34           H        ASN  34   3.136  -2.151   2.010
  249    HA   ASN  34           HA       ASN  34   4.237  -0.913   4.425
  250    HB2  ASN  34          2HB       ASN  34   5.896  -1.885   2.073
  251    HB3  ASN  34          1HB       ASN  34   6.489  -1.225   3.587
  252   HD21  ASN  34          1HD2      ASN  34   5.284  -3.966   1.949
  253   HD22  ASN  34          2HD2      ASN  34   5.584  -5.148   3.167
  254    H    CYS  35           H        CYS  35   4.723   1.250   4.069
  255    HA   CYS  35           HA       CYS  35   4.016   2.229   1.384
  256    HB2  CYS  35          2HB       CYS  35   3.779   3.675   4.024
  257    HB3  CYS  35          1HB       CYS  35   3.271   4.292   2.463
  258    H    ARG  36           H        ARG  36   5.438   3.367   0.250
  259    HA   ARG  36           HA       ARG  36   7.245   5.248   0.903
  260    HB2  ARG  36          2HB       ARG  36   8.432   3.560   2.313
  261    HB3  ARG  36          1HB       ARG  36   8.655   2.564   0.885
  262    HG2  ARG  36          2HG       ARG  36  10.049   4.295  -0.108
  263    HG3  ARG  36          1HG       ARG  36   9.828   5.296   1.332
  264    HD2  ARG  36          2HD       ARG  36  10.876   3.582   2.706
  265    HD3  ARG  36          1HD       ARG  36  11.064   2.540   1.296
  266    HE   ARG  36           HE       ARG  36  12.259   5.103   0.996
  267   HH11  ARG  36          1HH1      ARG  36  12.822   1.865   2.383
  268   HH12  ARG  36          2HH1      ARG  36  14.506   1.925   2.236
  269   HH21  ARG  36          1HH2      ARG  36  14.638   5.191   0.833
  270   HH22  ARG  36          2HH2      ARG  36  15.557   3.855   1.338
  271    H    ARG  37           H        ARG  37   6.468   2.448  -1.077
  272    HA   ARG  37           HA       ARG  37   7.713   3.724  -3.400
  273    HB2  ARG  37          2HB       ARG  37   7.538   0.766  -2.897
  274    HB3  ARG  37          1HB       ARG  37   8.376   1.568  -4.217
  275    HG2  ARG  37          2HG       ARG  37   9.938   2.532  -2.556
  276    HG3  ARG  37          1HG       ARG  37   9.091   1.610  -1.311
  277    HD2  ARG  37          2HD       ARG  37  10.561   0.469  -3.689
  278    HD3  ARG  37          1HD       ARG  37  11.063   0.440  -1.994
  279    HE   ARG  37           HE       ARG  37   8.723  -0.795  -1.874
  280   HH11  ARG  37          1HH1      ARG  37  11.435  -1.274  -4.112
  281   HH12  ARG  37          2HH1      ARG  37  11.201  -2.948  -4.240
  282   HH21  ARG  37          1HH2      ARG  37   8.416  -3.140  -2.096
  283   HH22  ARG  37          2HH2      ARG  37   9.485  -4.007  -3.107
  Start of MODEL    5
    1    H1   GLY   1          1HT       GLY   1  -8.112   0.926   5.405
    2    H2   GLY   1          2HT       GLY   1  -6.800   0.752   6.442
    3    H3   GLY   1          3HT       GLY   1  -8.352   0.888   7.081
    4    HA2  GLY   1          1HA       GLY   1  -7.621  -1.395   7.173
    5    HA3  GLY   1          2HA       GLY   1  -8.961  -1.213   6.053
    6    H    ILE   2           H        ILE   2  -5.483  -1.624   6.337
    7    HA   ILE   2           HA       ILE   2  -5.308  -2.030   3.497
    8    HB   ILE   2           HB       ILE   2  -2.838  -2.202   3.955
    9   HG12  ILE   2          2HG1      ILE   2  -3.721  -1.305   6.717
   10   HG13  ILE   2          1HG1      ILE   2  -2.832  -2.763   6.314
   11   HG21  ILE   2          1HG2      ILE   2  -4.259   0.346   4.675
   12   HG22  ILE   2          2HG2      ILE   2  -3.844  -0.212   3.056
   13   HG23  ILE   2          3HG2      ILE   2  -2.568   0.222   4.191
   14   HD11  ILE   2          1HD1      ILE   2  -0.931  -1.372   5.624
   15   HD12  ILE   2          2HD1      ILE   2  -1.380  -1.127   7.310
   16   HD13  ILE   2          3HD1      ILE   2  -1.846   0.063   6.087
   17    H    THR   3           H        THR   3  -5.388  -3.882   2.624
   18    HA   THR   3           HA       THR   3  -4.691  -6.333   4.048
   19    HB   THR   3           HB       THR   3  -7.196  -5.891   2.424
   20    HG1  THR   3          1HG       THR   3  -7.034  -6.254   5.248
   21   HG21  THR   3          1HG2      THR   3  -6.400  -8.213   2.438
   22   HG22  THR   3          2HG2      THR   3  -7.899  -8.080   3.359
   23   HG23  THR   3          3HG2      THR   3  -6.354  -8.200   4.201
   24    H    CYS   4           H        CYS   4  -3.819  -7.824   2.526
   25    HA   CYS   4           HA       CYS   4  -3.595  -6.722  -0.165
   26    HB2  CYS   4          2HB       CYS   4  -1.606  -8.418   1.302
   27    HB3  CYS   4          1HB       CYS   4  -1.428  -7.780  -0.331
   28    H    ASP   5           H        ASP   5  -4.923  -7.729  -1.413
   29    HA   ASP   5           HA       ASP   5  -5.184 -10.631  -1.259
   30    HB2  ASP   5          2HB       ASP   5  -7.191  -9.125  -1.618
   31    HB3  ASP   5          1HB       ASP   5  -6.476  -8.656  -3.155
   32    H    LEU   6           H        LEU   6  -3.948  -7.971  -3.125
   33    HA   LEU   6           HA       LEU   6  -2.551  -9.819  -4.896
   34    HB2  LEU   6          2HB       LEU   6  -3.140  -6.866  -5.254
   35    HB3  LEU   6          1HB       LEU   6  -2.251  -7.848  -6.392
   36    HG   LEU   6           HG       LEU   6  -5.163  -8.180  -5.686
   37   HD11  LEU   6          1HD1      LEU   6  -3.815  -7.135  -8.164
   38   HD12  LEU   6          2HD1      LEU   6  -4.717  -6.180  -6.987
   39   HD13  LEU   6          3HD1      LEU   6  -5.547  -7.395  -7.959
   40   HD21  LEU   6          1HD2      LEU   6  -3.422  -9.622  -7.680
   41   HD22  LEU   6          2HD2      LEU   6  -5.173  -9.753  -7.582
   42   HD23  LEU   6          3HD2      LEU   6  -4.174 -10.321  -6.243
   43    H    ILE   7           H        ILE   7  -0.452  -9.035  -5.456
   44    HA   ILE   7           HA       ILE   7   0.987  -7.916  -3.158
   45    HB   ILE   7           HB       ILE   7   1.962  -9.862  -5.279
   46   HG12  ILE   7          2HG1      ILE   7   1.428 -10.228  -2.327
   47   HG13  ILE   7          1HG1      ILE   7   0.465 -10.879  -3.640
   48   HG21  ILE   7          1HG2      ILE   7   3.765  -8.354  -4.599
   49   HG22  ILE   7          2HG2      ILE   7   4.052  -9.981  -3.980
   50   HG23  ILE   7          3HG2      ILE   7   3.450  -8.722  -2.903
   51   HD11  ILE   7          1HD1      ILE   7   1.895 -12.575  -2.645
   52   HD12  ILE   7          2HD1      ILE   7   3.314 -11.598  -3.043
   53   HD13  ILE   7          3HD1      ILE   7   2.320 -12.278  -4.333
   54    H    GLY   8           H        GLY   8   1.603  -5.975  -3.531
   55    HA2  GLY   8          2HA       GLY   8   2.616  -4.137  -4.556
   56    HA3  GLY   8          1HA       GLY   8   2.948  -5.162  -5.943
   57    H    ASN   9           H        ASN   9   0.230  -5.886  -6.392
   58    HA   ASN   9           HA       ASN   9  -0.563  -3.553  -7.988
   59    HB2  ASN   9          2HB       ASN   9  -1.564  -6.406  -7.947
   60    HB3  ASN   9          1HB       ASN   9  -2.199  -5.159  -9.004
   61   HD21  ASN   9          1HD2      ASN   9  -1.650  -6.415 -10.757
   62   HD22  ASN   9          2HD2      ASN   9  -0.037  -6.545 -11.318
   63    H    GLU  10           H        GLU  10  -0.974  -4.178  -5.082
   64    HA   GLU  10           HA       GLU  10  -3.814  -4.322  -4.860
   65    HB2  GLU  10          2HB       GLU  10  -2.438  -5.719  -3.470
   66    HB3  GLU  10          1HB       GLU  10  -1.638  -4.328  -2.776
   67    HG2  GLU  10          2HG       GLU  10  -3.259  -5.204  -1.313
   68    HG3  GLU  10          1HG       GLU  10  -3.743  -3.593  -1.881
   69    H    ARG  11           H        ARG  11  -4.045  -2.386  -5.900
   70    HA   ARG  11           HA       ARG  11  -3.211   0.151  -5.109
   71    HB2  ARG  11          2HB       ARG  11  -5.773  -0.632  -6.461
   72    HB3  ARG  11          1HB       ARG  11  -5.224   1.027  -6.281
   73    HG2  ARG  11          2HG       ARG  11  -3.801  -1.158  -7.788
   74    HG3  ARG  11          1HG       ARG  11  -4.734   0.162  -8.497
   75    HD2  ARG  11          2HD       ARG  11  -2.217   0.444  -6.848
   76    HD3  ARG  11          1HD       ARG  11  -2.340   0.624  -8.590
   77    HE   ARG  11           HE       ARG  11  -4.149   2.393  -7.416
   78   HH11  ARG  11          1HH1      ARG  11  -0.654   1.948  -7.584
   79   HH12  ARG  11          2HH1      ARG  11  -0.276   3.598  -7.527
   80   HH21  ARG  11          1HH2      ARG  11  -3.666   4.686  -7.297
   81   HH22  ARG  11          2HH2      ARG  11  -2.039   5.195  -7.369
   82    H    LEU  12           H        LEU  12  -5.758  -1.809  -3.763
   83    HA   LEU  12           HA       LEU  12  -7.093   0.214  -2.304
   84    HB2  LEU  12          2HB       LEU  12  -6.757  -2.698  -1.622
   85    HB3  LEU  12          1HB       LEU  12  -7.898  -1.608  -0.865
   86    HG   LEU  12           HG       LEU  12  -7.928  -2.495  -3.742
   87   HD11  LEU  12          1HD1      LEU  12  -9.737  -3.134  -1.432
   88   HD12  LEU  12          2HD1      LEU  12  -8.572  -4.224  -2.187
   89   HD13  LEU  12          3HD1      LEU  12  -9.959  -3.642  -3.107
   90   HD21  LEU  12          1HD2      LEU  12  -8.752  -0.218  -3.558
   91   HD22  LEU  12          2HD2      LEU  12  -9.799  -0.685  -2.221
   92   HD23  LEU  12          3HD2      LEU  12 -10.100  -1.323  -3.838
   93    H    CYS  13           H        CYS  13  -4.146  -1.475  -1.794
   94    HA   CYS  13           HA       CYS  13  -3.916  -0.536   0.917
   95    HB2  CYS  13          2HB       CYS  13  -3.074  -2.739   0.450
   96    HB3  CYS  13          1HB       CYS  13  -2.097  -2.141  -0.888
   97    H    VAL  14           H        VAL  14  -2.437  -0.037  -2.242
   98    HA   VAL  14           HA       VAL  14  -0.470   1.831  -1.583
   99    HB   VAL  14           HB       VAL  14  -2.037   1.780  -4.162
  100   HG11  VAL  14          1HG1      VAL  14   0.775   2.706  -3.590
  101   HG12  VAL  14          2HG1      VAL  14  -0.612   3.731  -3.962
  102   HG13  VAL  14          3HG1      VAL  14   0.027   2.634  -5.187
  103   HG21  VAL  14          1HG2      VAL  14  -1.247  -0.461  -3.648
  104   HG22  VAL  14          2HG2      VAL  14   0.392   0.152  -3.411
  105   HG23  VAL  14          3HG2      VAL  14  -0.357   0.212  -5.008
  106    H    VAL  15           H        VAL  15  -3.893   2.329  -2.323
  107    HA   VAL  15           HA       VAL  15  -3.806   5.112  -2.546
  108    HB   VAL  15           HB       VAL  15  -5.690   3.665  -3.316
  109   HG11  VAL  15          1HG1      VAL  15  -7.487   3.071  -1.770
  110   HG12  VAL  15          2HG1      VAL  15  -6.480   3.611  -0.425
  111   HG13  VAL  15          3HG1      VAL  15  -5.972   2.239  -1.411
  112   HG21  VAL  15          1HG2      VAL  15  -7.470   5.264  -2.837
  113   HG22  VAL  15          2HG2      VAL  15  -5.945   6.082  -3.205
  114   HG23  VAL  15          3HG2      VAL  15  -6.495   5.938  -1.533
  115    H    HIS  16           H        HIS  16  -3.807   3.073   0.256
  116    HA   HIS  16           HA       HIS  16  -4.632   5.032   2.173
  117    HB2  HIS  16          2HB       HIS  16  -4.798   2.664   2.727
  118    HB3  HIS  16          1HB       HIS  16  -3.090   2.433   2.413
  119    HD1  HIS  16          1HD       HIS  16  -5.442   3.807   5.022
  120    HD2  HIS  16          2HD       HIS  16  -1.403   3.001   4.500
  121    HE1  HIS  16          1HE       HIS  16  -4.383   4.059   7.291
  122    H    CYS  17           H        CYS  17  -1.598   3.864   0.930
  123    HA   CYS  17           HA       CYS  17   0.163   5.390   2.516
  124    HB2  CYS  17          2HB       CYS  17   0.558   4.498  -0.331
  125    HB3  CYS  17          1HB       CYS  17   1.797   4.803   0.883
  126    H    LEU  18           H        LEU  18  -1.314   5.952  -0.653
  127    HA   LEU  18           HA       LEU  18  -0.132   8.479  -1.118
  128    HB2  LEU  18          2HB       LEU  18  -2.718   7.365  -2.203
  129    HB3  LEU  18          1HB       LEU  18  -1.839   8.730  -2.858
  130    HG   LEU  18           HG       LEU  18  -0.891   5.864  -2.822
  131   HD11  LEU  18          1HD1      LEU  18  -1.155   5.985  -5.244
  132   HD12  LEU  18          2HD1      LEU  18  -1.823   7.609  -5.088
  133   HD13  LEU  18          3HD1      LEU  18  -2.686   6.231  -4.404
  134   HD21  LEU  18          1HD2      LEU  18   0.958   6.678  -4.231
  135   HD22  LEU  18          2HD2      LEU  18   0.992   7.388  -2.619
  136   HD23  LEU  18          3HD2      LEU  18   0.399   8.334  -3.984
  137    H    ALA  19           H        ALA  19  -3.006   7.437   0.568
  138    HA   ALA  19           HA       ALA  19  -4.295   9.915   0.863
  139    HB1  ALA  19          1HB       ALA  19  -5.395   7.774   1.339
  140    HB2  ALA  19          2HB       ALA  19  -5.472   8.866   2.728
  141    HB3  ALA  19          3HB       ALA  19  -4.318   7.537   2.713
  142    H    LYS  20           H        LYS  20  -2.058   8.167   2.964
  143    HA   LYS  20           HA       LYS  20  -1.964  10.216   4.907
  144    HB2  LYS  20          2HB       LYS  20  -0.118   7.905   4.376
  145    HB3  LYS  20          1HB       LYS  20   0.149   9.045   5.687
  146    HG2  LYS  20          2HG       LYS  20  -2.096   8.451   6.581
  147    HG3  LYS  20          1HG       LYS  20  -2.229   7.221   5.331
  148    HD2  LYS  20          2HD       LYS  20  -0.370   6.030   6.181
  149    HD3  LYS  20          1HD       LYS  20   0.050   7.335   7.288
  150    HE2  LYS  20          2HE       LYS  20  -2.476   5.681   7.391
  151    HE3  LYS  20          1HE       LYS  20  -1.075   5.480   8.439
  152    HZ1  LYS  20          1HZ       LYS  20  -2.794   6.746   9.535
  153    HZ2  LYS  20          2HZ       LYS  20  -2.808   7.894   8.308
  154    HZ3  LYS  20          3HZ       LYS  20  -1.445   7.725   9.279
  155    H    GLY  21           H        GLY  21  -0.026   9.582   2.087
  156    HA2  GLY  21          2HA       GLY  21   0.780  11.747   1.072
  157    HA3  GLY  21          1HA       GLY  21   1.418  12.103   2.673
  158    H    PHE  22           H        PHE  22   1.510   8.938   1.304
  159    HA   PHE  22           HA       PHE  22   4.381   9.000   1.380
  160    HB2  PHE  22          2HB       PHE  22   2.323   6.870   1.239
  161    HB3  PHE  22          1HB       PHE  22   3.935   6.451   0.678
  162    HD1  PHE  22          1HD       PHE  22   1.815   7.059   3.509
  163    HD2  PHE  22          2HD       PHE  22   5.807   6.747   2.140
  164    HE1  PHE  22          1HE       PHE  22   2.576   6.703   5.818
  165    HE2  PHE  22          2HE       PHE  22   6.593   6.392   4.326
  166    HZ   PHE  22           HZ       PHE  22   4.986   6.362   6.269
  167    H    ARG  23           H        ARG  23   5.632   8.206  -0.322
  168    HA   ARG  23           HA       ARG  23   4.856   9.243  -2.833
  169    HB2  ARG  23          2HB       ARG  23   7.212   9.192  -2.034
  170    HB3  ARG  23          1HB       ARG  23   7.193   7.439  -2.146
  171    HG2  ARG  23          2HG       ARG  23   8.326   8.501  -4.044
  172    HG3  ARG  23          1HG       ARG  23   6.922   7.558  -4.547
  173    HD2  ARG  23          2HD       ARG  23   7.024   9.705  -5.724
  174    HD3  ARG  23          1HD       ARG  23   5.594   9.595  -4.705
  175    HE   ARG  23           HE       ARG  23   7.949  10.885  -3.613
  176   HH11  ARG  23          1HH1      ARG  23   4.697  11.292  -5.016
  177   HH12  ARG  23          2HH1      ARG  23   4.521  12.899  -4.500
  178   HH21  ARG  23          1HH2      ARG  23   7.702  13.111  -2.933
  179   HH22  ARG  23          2HH2      ARG  23   6.286  13.971  -3.317
  180    H    GLY  24           H        GLY  24   4.437   6.267  -1.210
  181    HA2  GLY  24          2HA       GLY  24   2.523   5.312  -2.871
  182    HA3  GLY  24          1HA       GLY  24   4.028   4.716  -3.562
  183    H    GLY  25           H        GLY  25   2.515   2.816  -2.893
  184    HA2  GLY  25          2HA       GLY  25   3.698   1.738  -0.502
  185    HA3  GLY  25          1HA       GLY  25   1.938   1.834  -0.556
  186    H    TRP  26           H        TRP  26   3.109  -0.597  -0.346
  187    HA   TRP  26           HA       TRP  26   2.092  -1.872  -2.666
  188    HB2  TRP  26          2HB       TRP  26   4.092  -2.967  -3.434
  189    HB3  TRP  26          1HB       TRP  26   4.412  -1.243  -3.426
  190    HD1  TRP  26           HD       TRP  26   5.963  -4.410  -2.481
  191    HE1  TRP  26          1HE       TRP  26   7.970  -4.042  -0.887
  192    HE3  TRP  26          3HE       TRP  26   5.076   0.408  -1.102
  193    HZ2  TRP  26          2HZ       TRP  26   8.998  -2.042   0.716
  194    HZ3  TRP  26          3HZ       TRP  26   6.580   1.511   0.468
  195    HH2  TRP  26           HH       TRP  26   8.537   0.320   1.362
  196    H    CYS  27           H        CYS  27   1.843  -4.043  -2.300
  197    HA   CYS  27           HA       CYS  27   2.246  -4.922   0.442
  198    HB2  CYS  27          2HB       CYS  27   0.788  -6.164  -1.889
  199    HB3  CYS  27          1HB       CYS  27   0.915  -6.886  -0.286
  200    H    ASP  28           H        ASP  28   3.961  -6.110   0.872
  201    HA   ASP  28           HA       ASP  28   5.606  -6.938  -1.356
  202    HB2  ASP  28          2HB       ASP  28   7.386  -7.342   0.228
  203    HB3  ASP  28          1HB       ASP  28   6.549  -5.916   0.753
  204    H    SER  29           H        SER  29   6.730  -9.267  -0.786
  205    HA   SER  29           HA       SER  29   4.974 -11.130  -1.727
  206    HB2  SER  29          2HB       SER  29   7.474 -11.660  -0.144
  207    HB3  SER  29          1HB       SER  29   6.775 -12.651  -1.430
  208    HG   SER  29           HG       SER  29   8.572 -11.174  -1.963
  209    H    ARG  30           H        ARG  30   5.562 -10.250   1.628
  210    HA   ARG  30           HA       ARG  30   4.428 -12.685   2.739
  211    HB2  ARG  30          2HB       ARG  30   5.147 -10.069   4.038
  212    HB3  ARG  30          1HB       ARG  30   4.732 -11.551   4.879
  213    HG2  ARG  30          2HG       ARG  30   6.743 -12.581   4.239
  214    HG3  ARG  30          1HG       ARG  30   7.075 -11.338   3.023
  215    HD2  ARG  30          2HD       ARG  30   6.996 -10.942   6.013
  216    HD3  ARG  30          1HD       ARG  30   8.444 -10.938   4.995
  217    HE   ARG  30           HE       ARG  30   6.864  -9.066   3.857
  218   HH11  ARG  30          1HH1      ARG  30   8.096  -9.445   7.152
  219   HH12  ARG  30          2HH1      ARG  30   8.024  -7.778   7.507
  220   HH21  ARG  30          1HH2      ARG  30   6.724  -6.861   4.340
  221   HH22  ARG  30          2HH2      ARG  30   7.237  -6.242   5.855
  222    H    LYS  31           H        LYS  31   3.026 -10.213   1.157
  223    HA   LYS  31           HA       LYS  31   0.937  -9.362   0.986
  224    HB2  LYS  31          2HB       LYS  31   0.290 -11.418   3.105
  225    HB3  LYS  31          1HB       LYS  31  -0.922 -10.345   2.435
  226    HG2  LYS  31          2HG       LYS  31   0.708 -12.327   0.861
  227    HG3  LYS  31          1HG       LYS  31  -0.946 -12.584   1.413
  228    HD2  LYS  31          2HD       LYS  31  -1.543 -10.468   0.135
  229    HD3  LYS  31          1HD       LYS  31   0.061 -10.571  -0.590
  230    HE2  LYS  31          2HE       LYS  31  -1.577 -11.579  -2.055
  231    HE3  LYS  31          1HE       LYS  31  -0.488 -12.814  -1.423
  232    HZ1  LYS  31          1HZ       LYS  31  -2.181 -13.461   0.169
  233    HZ2  LYS  31          2HZ       LYS  31  -2.826 -13.515  -1.384
  234    HZ3  LYS  31          3HZ       LYS  31  -3.210 -12.242  -0.359
  235    H    VAL  32           H        VAL  32   2.946  -8.345   2.821
  236    HA   VAL  32           HA       VAL  32   1.322  -6.993   4.851
  237    HB   VAL  32           HB       VAL  32   4.331  -7.008   4.441
  238   HG11  VAL  32          1HG1      VAL  32   3.571  -4.981   5.566
  239   HG12  VAL  32          2HG1      VAL  32   4.464  -6.022   6.675
  240   HG13  VAL  32          3HG1      VAL  32   2.705  -5.955   6.756
  241   HG21  VAL  32          1HG2      VAL  32   4.421  -8.458   6.402
  242   HG22  VAL  32          2HG2      VAL  32   3.491  -9.202   5.096
  243   HG23  VAL  32          3HG2      VAL  32   2.659  -8.476   6.469
  244    H    CYS  33           H        CYS  33   0.809  -4.961   4.715
  245    HA   CYS  33           HA       CYS  33   1.372  -3.491   2.330
  246    HB2  CYS  33          2HB       CYS  33  -0.364  -3.085   4.726
  247    HB3  CYS  33          1HB       CYS  33   0.117  -1.694   3.758
  248    H    ASN  34           H        ASN  34   3.035  -2.217   2.055
  249    HA   ASN  34           HA       ASN  34   4.220  -0.924   4.414
  250    HB2  ASN  34          2HB       ASN  34   5.796  -1.818   1.981
  251    HB3  ASN  34          1HB       ASN  34   6.433  -1.182   3.487
  252   HD21  ASN  34          1HD2      ASN  34   5.271  -3.903   1.811
  253   HD22  ASN  34          2HD2      ASN  34   5.621  -5.120   2.977
  254    H    CYS  35           H        CYS  35   4.442   1.256   4.127
  255    HA   CYS  35           HA       CYS  35   4.094   2.324   1.381
  256    HB2  CYS  35          2HB       CYS  35   3.394   3.694   3.990
  257    HB3  CYS  35          1HB       CYS  35   3.043   4.266   2.372
  258    H    ARG  36           H        ARG  36   5.596   3.521   0.568
  259    HA   ARG  36           HA       ARG  36   7.306   5.230   1.888
  260    HB2  ARG  36          2HB       ARG  36   8.176   3.209   3.047
  261    HB3  ARG  36          1HB       ARG  36   8.590   2.518   1.488
  262    HG2  ARG  36          2HG       ARG  36  10.183   4.295   1.109
  263    HG3  ARG  36          1HG       ARG  36   9.755   5.025   2.659
  264    HD2  ARG  36          2HD       ARG  36  10.465   2.980   3.803
  265    HD3  ARG  36          1HD       ARG  36  10.904   2.281   2.243
  266    HE   ARG  36           HE       ARG  36  12.201   4.718   2.550
  267   HH11  ARG  36          1HH1      ARG  36  12.284   1.431   3.860
  268   HH12  ARG  36          2HH1      ARG  36  13.917   1.466   4.302
  269   HH21  ARG  36          1HH2      ARG  36  14.492   4.784   3.137
  270   HH22  ARG  36          2HH2      ARG  36  15.204   3.428   3.855
  271    H    ARG  37           H        ARG  37   7.654   2.609  -0.437
  272    HA   ARG  37           HA       ARG  37   9.374   4.116  -2.086
  273    HB2  ARG  37          2HB       ARG  37   9.807   2.050  -3.183
  274    HB3  ARG  37          1HB       ARG  37   9.268   1.673  -1.537
  275    HG2  ARG  37          2HG       ARG  37   7.275   0.924  -2.127
  276    HG3  ARG  37          1HG       ARG  37   7.348   1.556  -3.792
  277    HD2  ARG  37          2HD       ARG  37   9.031  -0.644  -2.580
  278    HD3  ARG  37          1HD       ARG  37   7.684  -0.877  -3.687
  279    HE   ARG  37           HE       ARG  37   9.582   0.814  -4.873
  280   HH11  ARG  37          1HH1      ARG  37   9.203  -2.557  -3.911
  281   HH12  ARG  37          2HH1      ARG  37  10.206  -3.167  -5.133
  282   HH21  ARG  37          1HH2      ARG  37  10.942   0.004  -6.546
  283   HH22  ARG  37          2HH2      ARG  37  11.230  -1.675  -6.687
  Start of MODEL    6
    1    H1   GLY   1          1HT       GLY   1  -9.685  -2.703   5.804
    2    H2   GLY   1          2HT       GLY   1  -9.706  -1.200   5.066
    3    H3   GLY   1          3HT       GLY   1 -10.139  -1.331   6.706
    4    HA2  GLY   1          1HA       GLY   1  -7.950  -0.422   6.522
    5    HA3  GLY   1          2HA       GLY   1  -7.860  -2.055   7.183
    6    H    ILE   2           H        ILE   2  -5.597  -1.905   6.353
    7    HA   ILE   2           HA       ILE   2  -5.476  -2.147   3.488
    8    HB   ILE   2           HB       ILE   2  -2.956  -2.196   3.901
    9   HG12  ILE   2          2HG1      ILE   2  -3.879  -1.258   6.629
   10   HG13  ILE   2          1HG1      ILE   2  -2.964  -2.716   6.277
   11   HG21  ILE   2          1HG2      ILE   2  -2.848   0.235   4.073
   12   HG22  ILE   2          2HG2      ILE   2  -4.527   0.261   4.603
   13   HG23  ILE   2          3HG2      ILE   2  -4.126  -0.295   2.978
   14   HD11  ILE   2          1HD1      ILE   2  -1.538  -1.005   7.223
   15   HD12  ILE   2          2HD1      ILE   2  -2.017   0.118   5.948
   16   HD13  ILE   2          3HD1      ILE   2  -1.073  -1.311   5.547
   17    H    THR   3           H        THR   3  -5.451  -3.934   2.526
   18    HA   THR   3           HA       THR   3  -4.649  -6.405   3.855
   19    HB   THR   3           HB       THR   3  -7.159  -6.004   2.219
   20    HG1  THR   3          1HG       THR   3  -6.635  -5.687   4.932
   21   HG21  THR   3          1HG2      THR   3  -6.267  -8.312   3.968
   22   HG22  THR   3          2HG2      THR   3  -6.265  -8.294   2.205
   23   HG23  THR   3          3HG2      THR   3  -7.792  -8.225   3.084
   24    H    CYS   4           H        CYS   4  -4.021  -8.000   2.181
   25    HA   CYS   4           HA       CYS   4  -3.562  -6.678  -0.367
   26    HB2  CYS   4          2HB       CYS   4  -1.698  -8.536   1.076
   27    HB3  CYS   4          1HB       CYS   4  -1.422  -7.816  -0.508
   28    H    ASP   5           H        ASP   5  -5.109  -7.571  -1.573
   29    HA   ASP   5           HA       ASP   5  -5.343 -10.474  -1.650
   30    HB2  ASP   5          2HB       ASP   5  -7.395  -9.133  -2.008
   31    HB3  ASP   5          1HB       ASP   5  -6.609  -8.327  -3.363
   32    H    LEU   6           H        LEU   6  -4.068  -7.759  -3.340
   33    HA   LEU   6           HA       LEU   6  -2.647  -9.508  -5.187
   34    HB2  LEU   6          2HB       LEU   6  -3.174  -6.537  -5.305
   35    HB3  LEU   6          1HB       LEU   6  -2.355  -7.489  -6.528
   36    HG   LEU   6           HG       LEU   6  -5.264  -7.708  -5.765
   37   HD11  LEU   6          1HD1      LEU   6  -3.949  -6.539  -8.212
   38   HD12  LEU   6          2HD1      LEU   6  -4.762  -5.638  -6.934
   39   HD13  LEU   6          3HD1      LEU   6  -5.684  -6.729  -7.966
   40   HD21  LEU   6          1HD2      LEU   6  -3.706  -9.072  -7.960
   41   HD22  LEU   6          2HD2      LEU   6  -5.449  -9.170  -7.716
   42   HD23  LEU   6          3HD2      LEU   6  -4.354  -9.846  -6.513
   43    H    ILE   7           H        ILE   7  -0.474  -9.135  -5.324
   44    HA   ILE   7           HA       ILE   7   0.720  -7.746  -3.054
   45    HB   ILE   7           HB       ILE   7   1.922  -9.868  -4.866
   46   HG12  ILE   7          2HG1      ILE   7   1.161  -9.923  -1.940
   47   HG13  ILE   7          1HG1      ILE   7   0.282 -10.702  -3.241
   48   HG21  ILE   7          1HG2      ILE   7   3.185  -8.445  -2.519
   49   HG22  ILE   7          2HG2      ILE   7   3.654  -8.282  -4.211
   50   HG23  ILE   7          3HG2      ILE   7   3.880  -9.821  -3.377
   51   HD11  ILE   7          1HD1      ILE   7   1.619 -12.306  -1.998
   52   HD12  ILE   7          2HD1      ILE   7   3.076 -11.373  -2.348
   53   HD13  ILE   7          3HD1      ILE   7   2.201 -12.162  -3.659
   54    H    GLY   8           H        GLY   8   1.478  -5.842  -3.430
   55    HA2  GLY   8          2HA       GLY   8   2.778  -4.177  -4.434
   56    HA3  GLY   8          1HA       GLY   8   3.032  -5.253  -5.802
   57    H    ASN   9           H        ASN   9   0.367  -5.772  -6.392
   58    HA   ASN   9           HA       ASN   9  -0.268  -3.367  -7.966
   59    HB2  ASN   9          2HB       ASN   9  -1.469  -6.149  -8.020
   60    HB3  ASN   9          1HB       ASN   9  -1.845  -4.863  -9.154
   61   HD21  ASN   9          1HD2      ASN   9  -0.752  -7.527  -9.608
   62   HD22  ASN   9          2HD2      ASN   9   0.745  -7.300 -10.422
   63    H    GLU  10           H        GLU  10  -0.840  -4.007  -5.068
   64    HA   GLU  10           HA       GLU  10  -3.686  -4.151  -5.007
   65    HB2  GLU  10          2HB       GLU  10  -2.454  -5.599  -3.586
   66    HB3  GLU  10          1HB       GLU  10  -1.598  -4.284  -2.834
   67    HG2  GLU  10          2HG       GLU  10  -3.303  -5.118  -1.443
   68    HG3  GLU  10          1HG       GLU  10  -3.688  -3.466  -1.961
   69    H    ARG  11           H        ARG  11  -3.903  -2.199  -5.981
   70    HA   ARG  11           HA       ARG  11  -3.116   0.286  -4.964
   71    HB2  ARG  11          2HB       ARG  11  -5.553  -0.309  -6.627
   72    HB3  ARG  11          1HB       ARG  11  -4.913   1.293  -6.312
   73    HG2  ARG  11          2HG       ARG  11  -2.766   0.557  -7.378
   74    HG3  ARG  11          1HG       ARG  11  -3.587  -0.927  -7.856
   75    HD2  ARG  11          2HD       ARG  11  -3.622   0.647  -9.702
   76    HD3  ARG  11          1HD       ARG  11  -5.257   0.436  -9.079
   77    HE   ARG  11           HE       ARG  11  -4.099   2.595  -7.750
   78   HH11  ARG  11          1HH1      ARG  11  -5.041   1.909 -11.118
   79   HH12  ARG  11          2HH1      ARG  11  -5.468   3.541 -11.421
   80   HH21  ARG  11          1HH2      ARG  11  -4.678   4.739  -8.222
   81   HH22  ARG  11          2HH2      ARG  11  -5.266   5.167  -9.765
   82    H    LEU  12           H        LEU  12  -5.616  -1.799  -3.820
   83    HA   LEU  12           HA       LEU  12  -7.092   0.161  -2.364
   84    HB2  LEU  12          2HB       LEU  12  -6.788  -2.813  -1.949
   85    HB3  LEU  12          1HB       LEU  12  -7.912  -1.808  -1.062
   86    HG   LEU  12           HG       LEU  12  -7.995  -2.253  -4.051
   87   HD11  LEU  12          1HD1      LEU  12  -8.496  -4.279  -2.793
   88   HD12  LEU  12          2HD1      LEU  12  -9.943  -3.638  -3.573
   89   HD13  LEU  12          3HD1      LEU  12  -9.687  -3.399  -1.843
   90   HD21  LEU  12          1HD2      LEU  12  -9.959  -0.944  -2.174
   91   HD22  LEU  12          2HD2      LEU  12 -10.190  -1.210  -3.901
   92   HD23  LEU  12          3HD2      LEU  12  -8.939  -0.105  -3.342
   93    H    CYS  13           H        CYS  13  -4.159  -1.519  -1.897
   94    HA   CYS  13           HA       CYS  13  -3.938  -0.763   0.873
   95    HB2  CYS  13          2HB       CYS  13  -3.021  -2.890   0.286
   96    HB3  CYS  13          1HB       CYS  13  -2.130  -2.202  -1.068
   97    H    VAL  14           H        VAL  14  -2.447  -0.033  -2.239
   98    HA   VAL  14           HA       VAL  14  -0.517   1.825  -1.501
   99    HB   VAL  14           HB       VAL  14  -2.144   1.897  -4.038
  100   HG11  VAL  14          1HG1      VAL  14  -0.133   2.901  -5.060
  101   HG12  VAL  14          2HG1      VAL  14   0.625   2.942  -3.466
  102   HG13  VAL  14          3HG1      VAL  14  -0.821   3.899  -3.780
  103   HG21  VAL  14          1HG2      VAL  14   0.386   0.366  -3.456
  104   HG22  VAL  14          2HG2      VAL  14  -0.397   0.488  -5.031
  105   HG23  VAL  14          3HG2      VAL  14  -1.217  -0.327  -3.699
  106    H    VAL  15           H        VAL  15  -3.963   2.358  -2.146
  107    HA   VAL  15           HA       VAL  15  -3.953   5.131  -2.210
  108    HB   VAL  15           HB       VAL  15  -5.899   3.712  -2.824
  109   HG11  VAL  15          1HG1      VAL  15  -6.327   3.477   0.131
  110   HG12  VAL  15          2HG1      VAL  15  -5.952   2.173  -0.999
  111   HG13  VAL  15          3HG1      VAL  15  -7.499   3.019  -1.103
  112   HG21  VAL  15          1HG2      VAL  15  -6.515   5.912  -0.853
  113   HG22  VAL  15          2HG2      VAL  15  -7.655   5.247  -2.023
  114   HG23  VAL  15          3HG2      VAL  15  -6.218   6.105  -2.581
  115    H    HIS  16           H        HIS  16  -3.728   3.016   0.563
  116    HA   HIS  16           HA       HIS  16  -4.384   4.956   2.539
  117    HB2  HIS  16          2HB       HIS  16  -4.462   2.592   3.084
  118    HB3  HIS  16          1HB       HIS  16  -2.768   2.401   2.675
  119    HD1  HIS  16          1HD       HIS  16  -4.828   4.320   5.272
  120    HD2  HIS  16          2HD       HIS  16  -1.164   2.442   4.787
  121    HE1  HIS  16          1HE       HIS  16  -3.669   4.463   7.525
  122    H    CYS  17           H        CYS  17  -1.396   3.866   1.090
  123    HA   CYS  17           HA       CYS  17   0.368   5.504   2.609
  124    HB2  CYS  17          2HB       CYS  17   0.741   4.423  -0.180
  125    HB3  CYS  17          1HB       CYS  17   1.997   4.847   0.978
  126    H    LEU  18           H        LEU  18  -1.331   5.916  -0.450
  127    HA   LEU  18           HA       LEU  18  -0.155   8.421  -1.110
  128    HB2  LEU  18          2HB       LEU  18  -2.753   7.210  -2.042
  129    HB3  LEU  18          1HB       LEU  18  -1.953   8.585  -2.777
  130    HG   LEU  18           HG       LEU  18  -0.886   5.768  -2.669
  131   HD11  LEU  18          1HD1      LEU  18  -1.215   5.799  -5.094
  132   HD12  LEU  18          2HD1      LEU  18  -1.976   7.385  -4.960
  133   HD13  LEU  18          3HD1      LEU  18  -2.729   5.977  -4.209
  134   HD21  LEU  18          1HD2      LEU  18   0.935   7.364  -2.584
  135   HD22  LEU  18          2HD2      LEU  18   0.238   8.251  -3.938
  136   HD23  LEU  18          3HD2      LEU  18   0.859   6.618  -4.182
  137    H    ALA  19           H        ALA  19  -2.986   7.484   0.728
  138    HA   ALA  19           HA       ALA  19  -4.053  10.091   0.979
  139    HB1  ALA  19          1HB       ALA  19  -5.431   9.142   2.758
  140    HB2  ALA  19          2HB       ALA  19  -4.421   7.695   2.778
  141    HB3  ALA  19          3HB       ALA  19  -5.397   8.067   1.358
  142    H    LYS  20           H        LYS  20  -1.863   8.148   2.933
  143    HA   LYS  20           HA       LYS  20  -1.633  10.066   5.019
  144    HB2  LYS  20          2HB       LYS  20   0.264   7.839   4.293
  145    HB3  LYS  20          1HB       LYS  20   0.304   8.762   5.788
  146    HG2  LYS  20          2HG       LYS  20  -1.939   7.916   6.338
  147    HG3  LYS  20          1HG       LYS  20  -1.920   6.953   4.861
  148    HD2  LYS  20          2HD       LYS  20  -1.295   5.484   6.602
  149    HD3  LYS  20          1HD       LYS  20   0.194   5.881   5.750
  150    HE2  LYS  20          2HE       LYS  20   0.613   5.954   8.114
  151    HE3  LYS  20          1HE       LYS  20   0.655   7.594   7.476
  152    HZ1  LYS  20          1HZ       LYS  20  -1.597   6.344   8.938
  153    HZ2  LYS  20          2HZ       LYS  20  -1.638   7.891   8.295
  154    HZ3  LYS  20          3HZ       LYS  20  -0.573   7.528   9.538
  155    H    GLY  21           H        GLY  21   0.013   9.649   1.994
  156    HA2  GLY  21          2HA       GLY  21   0.849  11.789   1.074
  157    HA3  GLY  21          1HA       GLY  21   1.505  12.109   2.671
  158    H    PHE  22           H        PHE  22   1.736   8.932   1.508
  159    HA   PHE  22           HA       PHE  22   4.593   9.083   1.417
  160    HB2  PHE  22          2HB       PHE  22   2.554   6.936   1.291
  161    HB3  PHE  22          1HB       PHE  22   4.121   6.518   0.641
  162    HD1  PHE  22          1HD       PHE  22   2.192   7.254   3.615
  163    HD2  PHE  22          2HD       PHE  22   6.041   6.551   2.005
  164    HE1  PHE  22          1HE       PHE  22   3.048   6.789   5.871
  165    HE2  PHE  22          2HE       PHE  22   6.916   6.087   4.139
  166    HZ   PHE  22           HZ       PHE  22   5.436   6.194   6.175
  167    H    ARG  23           H        ARG  23   5.761   8.044  -0.414
  168    HA   ARG  23           HA       ARG  23   5.004   9.284  -2.869
  169    HB2  ARG  23          2HB       ARG  23   7.372   8.916  -2.093
  170    HB3  ARG  23          1HB       ARG  23   7.134   7.200  -2.359
  171    HG2  ARG  23          2HG       ARG  23   8.362   8.143  -4.200
  172    HG3  ARG  23          1HG       ARG  23   6.760   7.660  -4.759
  173    HD2  ARG  23          2HD       ARG  23   7.363  10.436  -3.858
  174    HD3  ARG  23          1HD       ARG  23   7.670   9.940  -5.529
  175    HE   ARG  23           HE       ARG  23   5.137   9.290  -5.308
  176   HH11  ARG  23          1HH1      ARG  23   6.655  12.206  -3.961
  177   HH12  ARG  23          2HH1      ARG  23   5.330  13.213  -4.259
  178   HH21  ARG  23          1HH2      ARG  23   3.292  10.682  -5.697
  179   HH22  ARG  23          2HH2      ARG  23   3.364  12.322  -5.279
  180    H    GLY  24           H        GLY  24   4.503   6.330  -1.279
  181    HA2  GLY  24          2HA       GLY  24   2.376   5.494  -2.777
  182    HA3  GLY  24          1HA       GLY  24   3.800   4.839  -3.586
  183    H    GLY  25           H        GLY  25   2.542   2.841  -2.961
  184    HA2  GLY  25          2HA       GLY  25   3.708   1.806  -0.557
  185    HA3  GLY  25          1HA       GLY  25   1.948   1.890  -0.562
  186    H    TRP  26           H        TRP  26   3.168  -0.520  -0.333
  187    HA   TRP  26           HA       TRP  26   2.142  -1.882  -2.623
  188    HB2  TRP  26          2HB       TRP  26   4.159  -2.922  -3.401
  189    HB3  TRP  26          1HB       TRP  26   4.469  -1.198  -3.365
  190    HD1  TRP  26           HD       TRP  26   5.917  -4.396  -2.332
  191    HE1  TRP  26          1HE       TRP  26   7.907  -4.056  -0.714
  192    HE3  TRP  26          3HE       TRP  26   5.233   0.509  -1.171
  193    HZ2  TRP  26          2HZ       TRP  26   9.011  -2.050   0.813
  194    HZ3  TRP  26          3HZ       TRP  26   6.782   1.586   0.400
  195    HH2  TRP  26           HH       TRP  26   8.661   0.323   1.375
  196    H    CYS  27           H        CYS  27   1.901  -4.044  -2.166
  197    HA   CYS  27           HA       CYS  27   2.381  -4.840   0.582
  198    HB2  CYS  27          2HB       CYS  27   1.082  -6.299  -1.713
  199    HB3  CYS  27          1HB       CYS  27   1.164  -6.881  -0.052
  200    H    ASP  28           H        ASP  28   4.013  -6.171   1.114
  201    HA   ASP  28           HA       ASP  28   5.757  -6.983  -1.072
  202    HB2  ASP  28          2HB       ASP  28   7.499  -7.373   0.558
  203    HB3  ASP  28          1HB       ASP  28   6.683  -5.911   1.037
  204    H    SER  29           H        SER  29   6.832  -9.345  -0.313
  205    HA   SER  29           HA       SER  29   4.852 -11.093  -1.170
  206    HB2  SER  29          2HB       SER  29   6.662 -12.828  -0.615
  207    HB3  SER  29          1HB       SER  29   7.034 -11.590  -1.816
  208    HG   SER  29           HG       SER  29   7.961 -11.911   0.788
  209    H    ARG  30           H        ARG  30   5.650 -10.119   2.049
  210    HA   ARG  30           HA       ARG  30   4.503 -12.462   3.322
  211    HB2  ARG  30          2HB       ARG  30   5.181  -9.756   4.456
  212    HB3  ARG  30          1HB       ARG  30   4.758 -11.180   5.384
  213    HG2  ARG  30          2HG       ARG  30   6.804 -12.233   4.857
  214    HG3  ARG  30          1HG       ARG  30   7.166 -11.043   3.596
  215    HD2  ARG  30          2HD       ARG  30   6.981 -10.524   6.564
  216    HD3  ARG  30          1HD       ARG  30   8.445 -10.496   5.570
  217    HE   ARG  30           HE       ARG  30   6.904  -8.737   4.303
  218   HH11  ARG  30          1HH1      ARG  30   7.819  -8.936   7.716
  219   HH12  ARG  30          2HH1      ARG  30   7.597  -7.281   8.022
  220   HH21  ARG  30          1HH2      ARG  30   6.504  -6.549   4.719
  221   HH22  ARG  30          2HH2      ARG  30   6.793  -5.836   6.255
  222    H    LYS  31           H        LYS  31   3.083 -10.162   1.525
  223    HA   LYS  31           HA       LYS  31   0.942  -9.390   1.271
  224    HB2  LYS  31          2HB       LYS  31   0.407 -11.218   3.614
  225    HB3  LYS  31          1HB       LYS  31  -0.851 -10.269   2.856
  226    HG2  LYS  31          2HG       LYS  31   0.809 -12.262   1.340
  227    HG3  LYS  31          1HG       LYS  31  -0.665 -12.703   2.197
  228    HD2  LYS  31          2HD       LYS  31  -1.797 -10.848   0.853
  229    HD3  LYS  31          1HD       LYS  31  -0.345 -10.854  -0.152
  230    HE2  LYS  31          2HE       LYS  31  -0.692 -13.159  -0.729
  231    HE3  LYS  31          1HE       LYS  31  -2.023 -13.294   0.415
  232    HZ1  LYS  31          1HZ       LYS  31  -2.972 -13.054  -1.690
  233    HZ2  LYS  31          2HZ       LYS  31  -1.989 -11.804  -2.156
  234    HZ3  LYS  31          3HZ       LYS  31  -3.176 -11.556  -0.958
  235    H    VAL  32           H        VAL  32   2.969  -8.229   3.185
  236    HA   VAL  32           HA       VAL  32   1.198  -6.774   4.993
  237    HB   VAL  32           HB       VAL  32   4.239  -6.794   4.846
  238   HG11  VAL  32          1HG1      VAL  32   4.164  -5.671   7.026
  239   HG12  VAL  32          2HG1      VAL  32   2.405  -5.598   6.923
  240   HG13  VAL  32          3HG1      VAL  32   3.392  -4.699   5.772
  241   HG21  VAL  32          1HG2      VAL  32   4.150  -8.114   6.906
  242   HG22  VAL  32          2HG2      VAL  32   3.347  -8.948   5.573
  243   HG23  VAL  32          3HG2      VAL  32   2.389  -8.140   6.812
  244    H    CYS  33           H        CYS  33   0.762  -4.717   4.791
  245    HA   CYS  33           HA       CYS  33   1.359  -3.433   2.317
  246    HB2  CYS  33          2HB       CYS  33  -0.427  -2.905   4.632
  247    HB3  CYS  33          1HB       CYS  33   0.039  -1.546   3.599
  248    H    ASN  34           H        ASN  34   3.070  -2.265   1.964
  249    HA   ASN  34           HA       ASN  34   4.403  -0.970   4.240
  250    HB2  ASN  34          2HB       ASN  34   5.633  -1.904   1.638
  251    HB3  ASN  34          1HB       ASN  34   6.486  -1.169   2.980
  252   HD21  ASN  34          1HD2      ASN  34   5.050  -3.990   1.723
  253   HD22  ASN  34          2HD2      ASN  34   5.619  -5.118   2.896
  254    H    CYS  35           H        CYS  35   4.840   1.198   3.946
  255    HA   CYS  35           HA       CYS  35   4.007   2.344   1.375
  256    HB2  CYS  35          2HB       CYS  35   3.898   3.629   4.115
  257    HB3  CYS  35          1HB       CYS  35   3.429   4.390   2.609
  258    H    ARG  36           H        ARG  36   5.480   3.341   0.217
  259    HA   ARG  36           HA       ARG  36   7.331   5.173   0.989
  260    HB2  ARG  36          2HB       ARG  36   8.505   3.297   2.159
  261    HB3  ARG  36          1HB       ARG  36   8.695   2.506   0.602
  262    HG2  ARG  36          2HG       ARG  36  10.062   4.349  -0.208
  263    HG3  ARG  36          1HG       ARG  36   9.840   5.204   1.319
  264    HD2  ARG  36          2HD       ARG  36  11.225   2.551   0.938
  265    HD3  ARG  36          1HD       ARG  36  12.004   4.100   1.260
  266    HE   ARG  36           HE       ARG  36  10.089   3.449   3.251
  267   HH11  ARG  36          1HH1      ARG  36  13.413   2.793   2.270
  268   HH12  ARG  36          2HH1      ARG  36  13.902   2.255   3.809
  269   HH21  ARG  36          1HH2      ARG  36  10.758   2.728   5.338
  270   HH22  ARG  36          2HH2      ARG  36  12.368   2.243   5.601
  271    H    ARG  37           H        ARG  37   7.127   2.345  -1.186
  272    HA   ARG  37           HA       ARG  37   8.485   3.669  -3.313
  273    HB2  ARG  37          2HB       ARG  37   6.933   1.078  -3.341
  274    HB3  ARG  37          1HB       ARG  37   8.060   1.623  -4.578
  275    HG2  ARG  37          2HG       ARG  37   9.861   1.515  -2.894
  276    HG3  ARG  37          1HG       ARG  37   8.656   0.922  -1.740
  277    HD2  ARG  37          2HD       ARG  37   8.188  -0.982  -3.238
  278    HD3  ARG  37          1HD       ARG  37   9.461  -0.423  -4.321
  279    HE   ARG  37           HE       ARG  37  10.631  -0.652  -1.874
  280   HH11  ARG  37          1HH1      ARG  37   8.984  -2.880  -4.099
  281   HH12  ARG  37          2HH1      ARG  37   9.783  -4.265  -3.550
  282   HH21  ARG  37          1HH2      ARG  37  11.764  -2.608  -1.112
  283   HH22  ARG  37          2HH2      ARG  37  11.404  -4.106  -1.813
  Start of MODEL    7
    1    H1   GLY   1          1HT       GLY   1  -9.268  -0.421   3.818
    2    H2   GLY   1          2HT       GLY   1  -8.073   0.774   3.828
    3    H3   GLY   1          3HT       GLY   1  -9.240   0.754   5.052
    4    HA2  GLY   1          1HA       GLY   1  -7.194  -0.080   5.872
    5    HA3  GLY   1          2HA       GLY   1  -8.400  -1.362   5.802
    6    H    ILE   2           H        ILE   2  -5.299  -0.964   5.431
    7    HA   ILE   2           HA       ILE   2  -4.759  -1.950   2.869
    8    HB   ILE   2           HB       ILE   2  -2.516  -2.604   3.834
    9   HG12  ILE   2          2HG1      ILE   2  -3.698  -1.308   6.315
   10   HG13  ILE   2          1HG1      ILE   2  -3.118  -2.954   6.139
   11   HG21  ILE   2          1HG2      ILE   2  -3.470   0.227   4.110
   12   HG22  ILE   2          2HG2      ILE   2  -2.837  -0.549   2.656
   13   HG23  ILE   2          3HG2      ILE   2  -1.784  -0.275   4.041
   14   HD11  ILE   2          1HD1      ILE   2  -1.386  -0.519   5.916
   15   HD12  ILE   2          2HD1      ILE   2  -0.861  -2.210   5.968
   16   HD13  ILE   2          3HD1      ILE   2  -1.604  -1.470   7.381
   17    H    THR   3           H        THR   3  -5.072  -3.751   2.027
   18    HA   THR   3           HA       THR   3  -5.139  -6.228   3.578
   19    HB   THR   3           HB       THR   3  -7.037  -5.532   1.313
   20    HG1  THR   3          1HG       THR   3  -7.478  -4.075   2.937
   21   HG21  THR   3          1HG2      THR   3  -6.774  -7.923   1.872
   22   HG22  THR   3          2HG2      THR   3  -8.396  -7.346   2.262
   23   HG23  THR   3          3HG2      THR   3  -7.206  -7.565   3.544
   24    H    CYS   4           H        CYS   4  -4.505  -8.031   2.050
   25    HA   CYS   4           HA       CYS   4  -3.409  -6.967  -0.425
   26    HB2  CYS   4          2HB       CYS   4  -2.152  -9.052   1.358
   27    HB3  CYS   4          1HB       CYS   4  -1.554  -8.647  -0.242
   28    H    ASP   5           H        ASP   5  -5.090  -7.504  -1.638
   29    HA   ASP   5           HA       ASP   5  -6.024 -10.264  -1.775
   30    HB2  ASP   5          2HB       ASP   5  -7.599  -8.326  -1.997
   31    HB3  ASP   5          1HB       ASP   5  -6.716  -7.812  -3.426
   32    H    LEU   6           H        LEU   6  -4.148  -7.857  -3.439
   33    HA   LEU   6           HA       LEU   6  -2.824  -9.926  -4.997
   34    HB2  LEU   6          2HB       LEU   6  -3.651  -7.168  -5.924
   35    HB3  LEU   6          1HB       LEU   6  -2.551  -8.210  -6.793
   36    HG   LEU   6           HG       LEU   6  -5.466  -8.797  -6.269
   37   HD11  LEU   6          1HD1      LEU   6  -5.128  -6.950  -7.834
   38   HD12  LEU   6          2HD1      LEU   6  -5.750  -8.380  -8.652
   39   HD13  LEU   6          3HD1      LEU   6  -4.043  -7.958  -8.794
   40   HD21  LEU   6          1HD2      LEU   6  -5.129 -10.636  -7.870
   41   HD22  LEU   6          2HD2      LEU   6  -4.143 -10.838  -6.426
   42   HD23  LEU   6          3HD2      LEU   6  -3.405 -10.267  -7.922
   43    H    ILE   7           H        ILE   7  -0.674  -9.010  -5.679
   44    HA   ILE   7           HA       ILE   7   0.323  -7.108  -3.705
   45    HB   ILE   7           HB       ILE   7   1.754  -9.451  -5.009
   46   HG12  ILE   7          2HG1      ILE   7   0.934  -8.870  -2.165
   47   HG13  ILE   7          1HG1      ILE   7   0.356 -10.154  -3.200
   48   HG21  ILE   7          1HG2      ILE   7   3.286  -7.572  -4.879
   49   HG22  ILE   7          2HG2      ILE   7   3.738  -8.826  -3.723
   50   HG23  ILE   7          3HG2      ILE   7   2.917  -7.369  -3.166
   51   HD11  ILE   7          1HD1      ILE   7   2.561 -11.205  -3.166
   52   HD12  ILE   7          2HD1      ILE   7   1.890 -11.034  -1.543
   53   HD13  ILE   7          3HD1      ILE   7   3.150  -9.930  -2.098
   54    H    GLY   8           H        GLY   8   1.309  -5.330  -4.485
   55    HA2  GLY   8          2HA       GLY   8   2.414  -3.941  -6.005
   56    HA3  GLY   8          1HA       GLY   8   2.301  -5.212  -7.215
   57    H    ASN   9           H        ASN   9  -0.344  -5.684  -7.263
   58    HA   ASN   9           HA       ASN   9  -1.377  -3.339  -8.698
   59    HB2  ASN   9          2HB       ASN   9  -2.233  -6.225  -8.551
   60    HB3  ASN   9          1HB       ASN   9  -3.195  -5.005  -9.365
   61   HD21  ASN   9          1HD2      ASN   9  -1.705  -7.411 -10.337
   62   HD22  ASN   9          2HD2      ASN   9  -0.722  -6.813 -11.621
   63    H    GLU  10           H        GLU  10  -1.286  -4.119  -5.753
   64    HA   GLU  10           HA       GLU  10  -4.037  -4.160  -5.003
   65    HB2  GLU  10          2HB       GLU  10  -2.411  -5.589  -3.893
   66    HB3  GLU  10          1HB       GLU  10  -1.514  -4.177  -3.367
   67    HG2  GLU  10          2HG       GLU  10  -2.883  -5.215  -1.655
   68    HG3  GLU  10          1HG       GLU  10  -3.249  -3.507  -1.961
   69    H    ARG  11           H        ARG  11  -4.382  -2.226  -5.992
   70    HA   ARG  11           HA       ARG  11  -3.311   0.290  -5.330
   71    HB2  ARG  11          2HB       ARG  11  -6.007  -0.405  -6.476
   72    HB3  ARG  11          1HB       ARG  11  -5.335   1.218  -6.408
   73    HG2  ARG  11          2HG       ARG  11  -4.119  -1.106  -7.892
   74    HG3  ARG  11          1HG       ARG  11  -5.063   0.185  -8.632
   75    HD2  ARG  11          2HD       ARG  11  -2.421   0.457  -7.196
   76    HD3  ARG  11          1HD       ARG  11  -2.712   0.637  -8.922
   77    HE   ARG  11           HE       ARG  11  -4.374   2.451  -7.770
   78   HH11  ARG  11          1HH1      ARG  11  -0.877   1.902  -7.608
   79   HH12  ARG  11          2HH1      ARG  11  -0.520   3.561  -7.385
   80   HH21  ARG  11          1HH2      ARG  11  -3.861   4.685  -7.425
   81   HH22  ARG  11          2HH2      ARG  11  -2.229   5.159  -7.282
   82    H    LEU  12           H        LEU  12  -5.820  -1.585  -3.846
   83    HA   LEU  12           HA       LEU  12  -6.825   0.539  -2.266
   84    HB2  LEU  12          2HB       LEU  12  -7.129  -2.442  -2.008
   85    HB3  LEU  12          1HB       LEU  12  -7.944  -1.297  -0.954
   86    HG   LEU  12           HG       LEU  12  -8.324  -1.542  -3.942
   87   HD11  LEU  12          1HD1      LEU  12 -10.103  -2.347  -1.651
   88   HD12  LEU  12          2HD1      LEU  12  -9.259  -3.432  -2.756
   89   HD13  LEU  12          3HD1      LEU  12 -10.545  -2.386  -3.358
   90   HD21  LEU  12          1HD2      LEU  12 -10.212   0.002  -3.595
   91   HD22  LEU  12          2HD2      LEU  12  -8.668   0.751  -3.207
   92   HD23  LEU  12          3HD2      LEU  12  -9.731   0.199  -1.910
   93    H    CYS  13           H        CYS  13  -4.055  -1.439  -2.028
   94    HA   CYS  13           HA       CYS  13  -3.666  -0.839   0.766
   95    HB2  CYS  13          2HB       CYS  13  -2.705  -2.906   0.020
   96    HB3  CYS  13          1HB       CYS  13  -1.928  -2.120  -1.360
   97    H    VAL  14           H        VAL  14  -2.395   0.098  -2.368
   98    HA   VAL  14           HA       VAL  14  -0.435   1.946  -1.650
   99    HB   VAL  14           HB       VAL  14  -2.220   2.170  -4.069
  100   HG11  VAL  14          1HG1      VAL  14   0.624   3.070  -3.627
  101   HG12  VAL  14          2HG1      VAL  14  -0.797   4.105  -3.759
  102   HG13  VAL  14          3HG1      VAL  14  -0.253   3.172  -5.154
  103   HG21  VAL  14          1HG2      VAL  14  -0.611   0.769  -5.244
  104   HG22  VAL  14          2HG2      VAL  14  -1.374  -0.102  -3.914
  105   HG23  VAL  14          3HG2      VAL  14   0.272   0.511  -3.742
  106    H    VAL  15           H        VAL  15  -3.901   2.402  -2.128
  107    HA   VAL  15           HA       VAL  15  -3.916   5.180  -2.041
  108    HB   VAL  15           HB       VAL  15  -5.778   3.784  -2.860
  109   HG11  VAL  15          1HG1      VAL  15  -6.415   3.327   0.028
  110   HG12  VAL  15          2HG1      VAL  15  -5.858   2.126  -1.133
  111   HG13  VAL  15          3HG1      VAL  15  -7.439   2.886  -1.343
  112   HG21  VAL  15          1HG2      VAL  15  -6.168   6.130  -2.469
  113   HG22  VAL  15          2HG2      VAL  15  -6.523   5.809  -0.773
  114   HG23  VAL  15          3HG2      VAL  15  -7.612   5.212  -2.028
  115    H    HIS  16           H        HIS  16  -3.712   2.887   0.572
  116    HA   HIS  16           HA       HIS  16  -4.422   4.732   2.652
  117    HB2  HIS  16          2HB       HIS  16  -4.528   2.436   3.255
  118    HB3  HIS  16          1HB       HIS  16  -2.917   2.118   2.640
  119    HD1  HIS  16          1HD       HIS  16  -4.413   4.231   5.501
  120    HD2  HIS  16          2HD       HIS  16  -1.105   1.951   4.511
  121    HE1  HIS  16          1HE       HIS  16  -2.894   4.257   7.554
  122    H    CYS  17           H        CYS  17  -1.464   3.747   1.165
  123    HA   CYS  17           HA       CYS  17   0.252   5.388   2.702
  124    HB2  CYS  17          2HB       CYS  17   0.606   4.336  -0.099
  125    HB3  CYS  17          1HB       CYS  17   1.888   4.909   0.968
  126    H    LEU  18           H        LEU  18  -1.548   5.898  -0.278
  127    HA   LEU  18           HA       LEU  18  -0.480   8.469  -0.825
  128    HB2  LEU  18          2HB       LEU  18  -3.122   7.266  -1.651
  129    HB3  LEU  18          1HB       LEU  18  -2.430   8.731  -2.314
  130    HG   LEU  18           HG       LEU  18  -1.258   5.961  -2.578
  131   HD11  LEU  18          1HD1      LEU  18  -3.290   6.237  -3.889
  132   HD12  LEU  18          2HD1      LEU  18  -1.872   6.161  -4.931
  133   HD13  LEU  18          3HD1      LEU  18  -2.641   7.712  -4.604
  134   HD21  LEU  18          1HD2      LEU  18   0.489   7.659  -2.547
  135   HD22  LEU  18          2HD2      LEU  18  -0.380   8.598  -3.760
  136   HD23  LEU  18          3HD2      LEU  18   0.285   7.020  -4.178
  137    H    ALA  19           H        ALA  19  -3.158   7.322   1.134
  138    HA   ALA  19           HA       ALA  19  -4.235   9.884   1.693
  139    HB1  ALA  19          1HB       ALA  19  -5.538   7.818   1.991
  140    HB2  ALA  19          2HB       ALA  19  -5.472   8.758   3.482
  141    HB3  ALA  19          3HB       ALA  19  -4.455   7.329   3.294
  142    H    LYS  20           H        LYS  20  -1.820   7.864   3.195
  143    HA   LYS  20           HA       LYS  20  -1.381   9.512   5.464
  144    HB2  LYS  20          2HB       LYS  20   0.404   7.480   4.135
  145    HB3  LYS  20          1HB       LYS  20   0.800   8.277   5.648
  146    HG2  LYS  20          2HG       LYS  20  -1.161   7.278   6.697
  147    HG3  LYS  20          1HG       LYS  20  -1.603   6.526   5.164
  148    HD2  LYS  20          2HD       LYS  20  -0.521   4.873   6.525
  149    HD3  LYS  20          1HD       LYS  20   0.562   5.298   5.207
  150    HE2  LYS  20          2HE       LYS  20   1.834   5.108   7.236
  151    HE3  LYS  20          1HE       LYS  20   1.760   6.802   6.744
  152    HZ1  LYS  20          1HZ       LYS  20   1.447   6.497   9.128
  153    HZ2  LYS  20          2HZ       LYS  20   0.093   5.560   8.863
  154    HZ3  LYS  20          3HZ       LYS  20   0.079   7.192   8.444
  155    H    GLY  21           H        GLY  21  -0.096   9.483   2.241
  156    HA2  GLY  21          2HA       GLY  21   0.624  11.622   1.299
  157    HA3  GLY  21          1HA       GLY  21   1.367  11.977   2.857
  158    H    PHE  22           H        PHE  22   1.496   8.883   1.301
  159    HA   PHE  22           HA       PHE  22   4.385   9.094   1.181
  160    HB2  PHE  22          2HB       PHE  22   2.487   6.894   1.586
  161    HB3  PHE  22          1HB       PHE  22   3.935   6.454   0.699
  162    HD1  PHE  22          1HD       PHE  22   6.097   6.822   1.672
  163    HD2  PHE  22          2HD       PHE  22   2.527   7.321   3.898
  164    HE1  PHE  22          1HE       PHE  22   7.362   6.624   3.655
  165    HE2  PHE  22          2HE       PHE  22   3.810   7.129   5.988
  166    HZ   PHE  22           HZ       PHE  22   6.247   6.781   5.896
  167    H    ARG  23           H        ARG  23   5.527   8.259  -0.513
  168    HA   ARG  23           HA       ARG  23   4.745   9.007  -3.084
  169    HB2  ARG  23          2HB       ARG  23   7.070   8.813  -2.227
  170    HB3  ARG  23          1HB       ARG  23   6.894   7.069  -2.238
  171    HG2  ARG  23          2HG       ARG  23   6.635   7.075  -4.638
  172    HG3  ARG  23          1HG       ARG  23   6.716   8.837  -4.659
  173    HD2  ARG  23          2HD       ARG  23   8.905   6.964  -3.765
  174    HD3  ARG  23          1HD       ARG  23   8.849   7.882  -5.273
  175    HE   ARG  23           HE       ARG  23   8.554   9.620  -3.115
  176   HH11  ARG  23          1HH1      ARG  23  11.059   7.714  -4.750
  177   HH12  ARG  23          2HH1      ARG  23  12.346   8.670  -4.194
  178   HH21  ARG  23          1HH2      ARG  23  10.331  10.918  -2.332
  179   HH22  ARG  23          2HH2      ARG  23  11.921  10.554  -2.800
  180    H    GLY  24           H        GLY  24   4.291   6.069  -1.288
  181    HA2  GLY  24          2HA       GLY  24   2.264   5.068  -2.790
  182    HA3  GLY  24          1HA       GLY  24   3.710   4.463  -3.586
  183    H    GLY  25           H        GLY  25   2.254   2.540  -2.772
  184    HA2  GLY  25          2HA       GLY  25   3.542   1.554  -0.390
  185    HA3  GLY  25          1HA       GLY  25   1.785   1.655  -0.380
  186    H    TRP  26           H        TRP  26   3.147  -0.742  -0.136
  187    HA   TRP  26           HA       TRP  26   2.071  -2.178  -2.381
  188    HB2  TRP  26          2HB       TRP  26   4.113  -3.128  -3.203
  189    HB3  TRP  26          1HB       TRP  26   4.357  -1.391  -3.179
  190    HD1  TRP  26           HD       TRP  26   5.960  -4.551  -2.084
  191    HE1  TRP  26          1HE       TRP  26   7.939  -4.102  -0.510
  192    HE3  TRP  26          3HE       TRP  26   5.107   0.368  -1.075
  193    HZ2  TRP  26          2HZ       TRP  26   8.989  -1.973   0.961
  194    HZ3  TRP  26          3HZ       TRP  26   6.622   1.544   0.450
  195    HH2  TRP  26           HH       TRP  26   8.554   0.370   1.451
  196    H    CYS  27           H        CYS  27   1.820  -4.344  -1.868
  197    HA   CYS  27           HA       CYS  27   2.378  -5.189   0.836
  198    HB2  CYS  27          2HB       CYS  27   1.312  -6.728  -1.557
  199    HB3  CYS  27          1HB       CYS  27   1.392  -7.341   0.088
  200    H    ASP  28           H        ASP  28   4.157  -6.363   1.363
  201    HA   ASP  28           HA       ASP  28   5.887  -7.162  -0.858
  202    HB2  ASP  28          2HB       ASP  28   7.728  -7.330   0.730
  203    HB3  ASP  28          1HB       ASP  28   6.908  -5.810   1.021
  204    H    SER  29           H        SER  29   7.206  -9.337   0.080
  205    HA   SER  29           HA       SER  29   5.413 -11.396  -0.467
  206    HB2  SER  29          2HB       SER  29   8.091 -11.602   0.892
  207    HB3  SER  29          1HB       SER  29   7.254 -12.880   0.009
  208    HG   SER  29           HG       SER  29   7.296 -11.009  -1.699
  209    H    ARG  30           H        ARG  30   6.082  -9.885   2.585
  210    HA   ARG  30           HA       ARG  30   5.217 -12.135   4.191
  211    HB2  ARG  30          2HB       ARG  30   5.709  -9.259   4.919
  212    HB3  ARG  30          1HB       ARG  30   5.418 -10.556   6.058
  213    HG2  ARG  30          2HG       ARG  30   7.512 -11.567   5.561
  214    HG3  ARG  30          1HG       ARG  30   7.753 -10.510   4.162
  215    HD2  ARG  30          2HD       ARG  30   7.635  -9.660   7.054
  216    HD3  ARG  30          1HD       ARG  30   9.067  -9.675   6.016
  217    HE   ARG  30           HE       ARG  30   7.312  -8.176   4.634
  218   HH11  ARG  30          1HH1      ARG  30   8.697  -7.871   7.871
  219   HH12  ARG  30          2HH1      ARG  30   8.381  -6.198   7.998
  220   HH21  ARG  30          1HH2      ARG  30   6.858  -5.967   4.811
  221   HH22  ARG  30          2HH2      ARG  30   7.312  -5.048   6.195
  222    H    LYS  31           H        LYS  31   3.531 -10.147   2.218
  223    HA   LYS  31           HA       LYS  31   1.352  -9.553   1.943
  224    HB2  LYS  31          2HB       LYS  31   0.816 -11.000   4.560
  225    HB3  LYS  31          1HB       LYS  31  -0.416 -10.401   3.470
  226    HG2  LYS  31          2HG       LYS  31   1.588 -12.539   2.791
  227    HG3  LYS  31          1HG       LYS  31  -0.062 -12.832   3.353
  228    HD2  LYS  31          2HD       LYS  31  -0.891 -11.616   1.359
  229    HD3  LYS  31          1HD       LYS  31   0.778 -11.469   0.798
  230    HE2  LYS  31          2HE       LYS  31   1.005 -13.884   0.718
  231    HE3  LYS  31          1HE       LYS  31  -0.606 -14.085   1.385
  232    HZ1  LYS  31          1HZ       LYS  31  -0.562 -14.407  -1.005
  233    HZ2  LYS  31          2HZ       LYS  31   0.023 -12.851  -1.231
  234    HZ3  LYS  31          3HZ       LYS  31  -1.511 -13.077  -0.578
  235    H    VAL  32           H        VAL  32   3.356  -8.184   3.754
  236    HA   VAL  32           HA       VAL  32   1.574  -6.526   5.372
  237    HB   VAL  32           HB       VAL  32   4.606  -6.486   5.185
  238   HG11  VAL  32          1HG1      VAL  32   4.529  -5.150   7.240
  239   HG12  VAL  32          2HG1      VAL  32   2.767  -5.155   7.176
  240   HG13  VAL  32          3HG1      VAL  32   3.692  -4.345   5.912
  241   HG21  VAL  32          1HG2      VAL  32   3.825  -8.593   6.138
  242   HG22  VAL  32          2HG2      VAL  32   2.840  -7.714   7.306
  243   HG23  VAL  32          3HG2      VAL  32   4.599  -7.600   7.373
  244    H    CYS  33           H        CYS  33   1.022  -4.590   4.832
  245    HA   CYS  33           HA       CYS  33   1.904  -3.500   2.326
  246    HB2  CYS  33          2HB       CYS  33  -0.221  -2.832   4.290
  247    HB3  CYS  33          1HB       CYS  33   0.349  -1.581   3.194
  248    H    ASN  34           H        ASN  34   3.381  -2.078   2.107
  249    HA   ASN  34           HA       ASN  34   4.346  -0.628   4.484
  250    HB2  ASN  34          2HB       ASN  34   6.041  -1.438   2.116
  251    HB3  ASN  34          1HB       ASN  34   6.581  -0.819   3.666
  252   HD21  ASN  34          1HD2      ASN  34   5.538  -3.563   1.887
  253   HD22  ASN  34          2HD2      ASN  34   5.869  -4.771   3.071
  254    H    CYS  35           H        CYS  35   4.889   1.546   4.040
  255    HA   CYS  35           HA       CYS  35   4.078   2.528   1.399
  256    HB2  CYS  35          2HB       CYS  35   4.027   3.949   4.072
  257    HB3  CYS  35          1HB       CYS  35   3.476   4.606   2.540
  258    H    ARG  36           H        ARG  36   5.707   3.407   0.209
  259    HA   ARG  36           HA       ARG  36   7.739   5.090   1.110
  260    HB2  ARG  36          2HB       ARG  36   8.534   3.049   2.334
  261    HB3  ARG  36          1HB       ARG  36   8.690   2.246   0.783
  262    HG2  ARG  36          2HG       ARG  36  10.375   3.892   0.129
  263    HG3  ARG  36          1HG       ARG  36  10.267   4.608   1.747
  264    HD2  ARG  36          2HD       ARG  36  10.810   2.366   2.703
  265    HD3  ARG  36          1HD       ARG  36  11.032   1.787   1.057
  266    HE   ARG  36           HE       ARG  36  12.646   4.007   1.431
  267   HH11  ARG  36          1HH1      ARG  36  12.446   0.628   2.466
  268   HH12  ARG  36          2HH1      ARG  36  14.096   0.471   2.823
  269   HH21  ARG  36          1HH2      ARG  36  14.916   3.816   1.973
  270   HH22  ARG  36          2HH2      ARG  36  15.536   2.329   2.549
  271    H    ARG  37           H        ARG  37   7.261   2.295  -1.056
  272    HA   ARG  37           HA       ARG  37   9.000   3.333  -3.045
  273    HB2  ARG  37          2HB       ARG  37   7.093   1.010  -3.202
  274    HB3  ARG  37          1HB       ARG  37   8.382   1.365  -4.339
  275    HG2  ARG  37          2HG       ARG  37   8.665   0.579  -1.458
  276    HG3  ARG  37          1HG       ARG  37   9.026  -0.435  -2.855
  277    HD2  ARG  37          2HD       ARG  37  10.482   2.074  -1.986
  278    HD3  ARG  37          1HD       ARG  37  11.071   0.416  -1.901
  279    HE   ARG  37           HE       ARG  37  10.471   0.840  -4.526
  280   HH11  ARG  37          1HH1      ARG  37  12.799   2.104  -2.175
  281   HH12  ARG  37          2HH1      ARG  37  13.832   2.788  -3.335
  282   HH21  ARG  37          1HH2      ARG  37  11.926   1.768  -6.154
  283   HH22  ARG  37          2HH2      ARG  37  13.319   2.596  -5.638
  Start of MODEL    8
    1    H1   GLY   1          1HT       GLY   1 -10.076  -1.866   5.328
    2    H2   GLY   1          2HT       GLY   1  -9.421  -0.345   5.077
    3    H3   GLY   1          3HT       GLY   1 -10.229  -0.694   6.538
    4    HA2  GLY   1          1HA       GLY   1  -7.846  -0.703   6.844
    5    HA3  GLY   1          2HA       GLY   1  -8.539  -2.306   7.087
    6    H    ILE   2           H        ILE   2  -5.819  -1.674   6.353
    7    HA   ILE   2           HA       ILE   2  -5.561  -2.133   3.569
    8    HB   ILE   2           HB       ILE   2  -3.103  -2.368   4.153
    9   HG12  ILE   2          2HG1      ILE   2  -4.142  -1.579   6.892
   10   HG13  ILE   2          1HG1      ILE   2  -3.296  -3.064   6.486
   11   HG21  ILE   2          1HG2      ILE   2  -4.551   0.155   4.932
   12   HG22  ILE   2          2HG2      ILE   2  -4.042  -0.313   3.310
   13   HG23  ILE   2          3HG2      ILE   2  -2.833   0.046   4.544
   14   HD11  ILE   2          1HD1      ILE   2  -1.865  -1.511   7.666
   15   HD12  ILE   2          2HD1      ILE   2  -2.166  -0.284   6.433
   16   HD13  ILE   2          3HD1      ILE   2  -1.281  -1.748   6.017
   17    H    THR   3           H        THR   3  -5.554  -3.954   2.554
   18    HA   THR   3           HA       THR   3  -5.057  -6.489   3.929
   19    HB   THR   3           HB       THR   3  -7.413  -5.964   2.093
   20    HG1  THR   3          1HG       THR   3  -7.108  -5.257   4.628
   21   HG21  THR   3          1HG2      THR   3  -6.790  -8.262   3.968
   22   HG22  THR   3          2HG2      THR   3  -6.645  -8.304   2.212
   23   HG23  THR   3          3HG2      THR   3  -8.232  -8.121   2.962
   24    H    CYS   4           H        CYS   4  -3.898  -7.841   2.530
   25    HA   CYS   4           HA       CYS   4  -3.405  -6.732  -0.109
   26    HB2  CYS   4          2HB       CYS   4  -1.772  -8.723   1.439
   27    HB3  CYS   4          1HB       CYS   4  -1.369  -8.039  -0.142
   28    H    ASP   5           H        ASP   5  -4.585  -7.533  -1.631
   29    HA   ASP   5           HA       ASP   5  -5.088 -10.396  -1.709
   30    HB2  ASP   5          2HB       ASP   5  -7.045  -9.099  -2.185
   31    HB3  ASP   5          1HB       ASP   5  -6.148  -8.019  -3.235
   32    H    LEU   6           H        LEU   6  -3.759  -7.703  -3.577
   33    HA   LEU   6           HA       LEU   6  -2.161  -9.614  -5.062
   34    HB2  LEU   6          2HB       LEU   6  -2.881  -6.746  -5.650
   35    HB3  LEU   6          1HB       LEU   6  -1.799  -7.705  -6.627
   36    HG   LEU   6           HG       LEU   6  -4.726  -8.292  -6.186
   37   HD11  LEU   6          1HD1      LEU   6  -4.974  -7.627  -8.526
   38   HD12  LEU   6          2HD1      LEU   6  -3.269  -7.172  -8.564
   39   HD13  LEU   6          3HD1      LEU   6  -4.390  -6.300  -7.522
   40   HD21  LEU   6          1HD2      LEU   6  -2.702  -9.615  -7.999
   41   HD22  LEU   6          2HD2      LEU   6  -4.430  -9.936  -7.987
   42   HD23  LEU   6          3HD2      LEU   6  -3.456 -10.334  -6.575
   43    H    ILE   7           H        ILE   7  -0.093  -8.898  -5.516
   44    HA   ILE   7           HA       ILE   7   1.286  -7.588  -3.282
   45    HB   ILE   7           HB       ILE   7   2.315  -9.489  -5.422
   46   HG12  ILE   7          2HG1      ILE   7   1.922  -9.950  -2.460
   47   HG13  ILE   7          1HG1      ILE   7   0.826 -10.509  -3.716
   48   HG21  ILE   7          1HG2      ILE   7   4.411  -9.553  -4.141
   49   HG22  ILE   7          2HG2      ILE   7   3.779  -8.320  -3.051
   50   HG23  ILE   7          3HG2      ILE   7   4.068  -7.932  -4.746
   51   HD11  ILE   7          1HD1      ILE   7   2.590 -11.906  -4.630
   52   HD12  ILE   7          2HD1      ILE   7   2.278 -12.281  -2.934
   53   HD13  ILE   7          3HD1      ILE   7   3.696 -11.328  -3.385
   54    H    GLY   8           H        GLY   8   2.195  -5.669  -3.694
   55    HA2  GLY   8          2HA       GLY   8   3.073  -3.855  -4.849
   56    HA3  GLY   8          1HA       GLY   8   3.170  -4.884  -6.262
   57    H    ASN   9           H        ASN   9   0.430  -5.486  -6.537
   58    HA   ASN   9           HA       ASN   9  -0.410  -2.953  -7.799
   59    HB2  ASN   9          2HB       ASN   9  -1.204  -5.804  -8.313
   60    HB3  ASN   9          1HB       ASN   9  -1.931  -4.422  -9.118
   61   HD21  ASN   9          1HD2      ASN   9  -0.472  -6.614 -10.261
   62   HD22  ASN   9          2HD2      ASN   9   0.858  -5.929 -11.116
   63    H    GLU  10           H        GLU  10  -0.781  -3.857  -5.061
   64    HA   GLU  10           HA       GLU  10  -3.590  -4.296  -4.905
   65    HB2  GLU  10          2HB       GLU  10  -2.185  -5.615  -3.536
   66    HB3  GLU  10          1HB       GLU  10  -1.428  -4.229  -2.801
   67    HG2  GLU  10          2HG       GLU  10  -3.017  -5.327  -1.395
   68    HG3  GLU  10          1HG       GLU  10  -3.503  -3.655  -1.747
   69    H    ARG  11           H        ARG  11  -4.026  -2.412  -5.872
   70    HA   ARG  11           HA       ARG  11  -3.452   0.212  -5.133
   71    HB2  ARG  11          2HB       ARG  11  -5.964  -0.841  -6.413
   72    HB3  ARG  11          1HB       ARG  11  -5.528   0.857  -6.322
   73    HG2  ARG  11          2HG       ARG  11  -3.991  -1.294  -7.767
   74    HG3  ARG  11          1HG       ARG  11  -5.017  -0.069  -8.510
   75    HD2  ARG  11          2HD       ARG  11  -2.469   0.414  -6.952
   76    HD3  ARG  11          1HD       ARG  11  -2.682   0.570  -8.690
   77    HE   ARG  11           HE       ARG  11  -4.543   2.258  -7.543
   78   HH11  ARG  11          1HH1      ARG  11  -1.013   1.996  -7.432
   79   HH12  ARG  11          2HH1      ARG  11  -0.770   3.672  -7.286
   80   HH21  ARG  11          1HH2      ARG  11  -4.181   4.529  -7.363
   81   HH22  ARG  11          2HH2      ARG  11  -2.590   5.144  -7.285
   82    H    LEU  12           H        LEU  12  -5.878  -1.939  -3.832
   83    HA   LEU  12           HA       LEU  12  -7.281   0.045  -2.377
   84    HB2  LEU  12          2HB       LEU  12  -7.093  -2.916  -1.860
   85    HB3  LEU  12          1HB       LEU  12  -8.258  -1.835  -1.122
   86    HG   LEU  12           HG       LEU  12  -8.086  -2.527  -4.053
   87   HD11  LEU  12          1HD1      LEU  12 -10.229  -3.632  -3.672
   88   HD12  LEU  12          2HD1      LEU  12 -10.099  -3.270  -1.950
   89   HD13  LEU  12          3HD1      LEU  12  -8.934  -4.351  -2.715
   90   HD21  LEU  12          1HD2      LEU  12 -10.181  -1.275  -4.266
   91   HD22  LEU  12          2HD2      LEU  12  -8.854  -0.237  -3.757
   92   HD23  LEU  12          3HD2      LEU  12 -10.055  -0.776  -2.579
   93    H    CYS  13           H        CYS  13  -4.330  -1.607  -1.835
   94    HA   CYS  13           HA       CYS  13  -4.209  -0.744   0.917
   95    HB2  CYS  13          2HB       CYS  13  -3.180  -2.884   0.381
   96    HB3  CYS  13          1HB       CYS  13  -2.184  -2.128  -0.860
   97    H    VAL  14           H        VAL  14  -2.654  -0.065  -2.185
   98    HA   VAL  14           HA       VAL  14  -0.741   1.803  -1.484
   99    HB   VAL  14           HB       VAL  14  -2.364   1.871  -4.030
  100   HG11  VAL  14          1HG1      VAL  14  -0.345   2.852  -5.040
  101   HG12  VAL  14          2HG1      VAL  14   0.414   2.890  -3.448
  102   HG13  VAL  14          3HG1      VAL  14  -1.021   3.865  -3.765
  103   HG21  VAL  14          1HG2      VAL  14  -0.625   0.446  -4.999
  104   HG22  VAL  14          2HG2      VAL  14  -1.452  -0.354  -3.666
  105   HG23  VAL  14          3HG2      VAL  14   0.156   0.332  -3.423
  106    H    VAL  15           H        VAL  15  -4.162   2.407  -2.186
  107    HA   VAL  15           HA       VAL  15  -4.187   5.164  -2.280
  108    HB   VAL  15           HB       VAL  15  -6.143   3.774  -2.802
  109   HG11  VAL  15          1HG1      VAL  15  -6.041   2.146  -1.055
  110   HG12  VAL  15          2HG1      VAL  15  -7.625   2.929  -1.037
  111   HG13  VAL  15          3HG1      VAL  15  -6.401   3.374   0.154
  112   HG21  VAL  15          1HG2      VAL  15  -6.535   6.133  -2.416
  113   HG22  VAL  15          2HG2      VAL  15  -6.727   5.844  -0.687
  114   HG23  VAL  15          3HG2      VAL  15  -7.907   5.194  -1.826
  115    H    HIS  16           H        HIS  16  -3.889   3.157   0.541
  116    HA   HIS  16           HA       HIS  16  -4.432   5.141   2.504
  117    HB2  HIS  16          2HB       HIS  16  -4.620   2.866   3.187
  118    HB3  HIS  16          1HB       HIS  16  -3.024   2.471   2.577
  119    HD1  HIS  16          1HD       HIS  16  -4.634   4.436   5.450
  120    HD2  HIS  16          2HD       HIS  16  -1.105   2.532   4.386
  121    HE1  HIS  16          1HE       HIS  16  -3.166   4.479   7.505
  122    H    CYS  17           H        CYS  17  -1.508   3.934   1.026
  123    HA   CYS  17           HA       CYS  17   0.327   5.557   2.517
  124    HB2  CYS  17          2HB       CYS  17   0.654   4.298  -0.198
  125    HB3  CYS  17          1HB       CYS  17   1.939   4.788   0.908
  126    H    LEU  18           H        LEU  18  -1.400   5.928  -0.497
  127    HA   LEU  18           HA       LEU  18  -0.187   8.375  -1.252
  128    HB2  LEU  18          2HB       LEU  18  -2.888   7.228  -1.943
  129    HB3  LEU  18          1HB       LEU  18  -2.152   8.603  -2.741
  130    HG   LEU  18           HG       LEU  18  -1.078   5.786  -2.754
  131   HD11  LEU  18          1HD1      LEU  18  -2.463   7.385  -4.895
  132   HD12  LEU  18          2HD1      LEU  18  -3.111   5.980  -4.050
  133   HD13  LEU  18          3HD1      LEU  18  -1.723   5.802  -5.120
  134   HD21  LEU  18          1HD2      LEU  18   0.714   7.436  -2.902
  135   HD22  LEU  18          2HD2      LEU  18  -0.138   8.262  -4.206
  136   HD23  LEU  18          3HD2      LEU  18   0.486   6.633  -4.454
  137    H    ALA  19           H        ALA  19  -2.864   7.509   0.812
  138    HA   ALA  19           HA       ALA  19  -3.777  10.160   1.219
  139    HB1  ALA  19          1HB       ALA  19  -5.217   8.218   1.619
  140    HB2  ALA  19          2HB       ALA  19  -5.063   9.196   3.082
  141    HB3  ALA  19          3HB       ALA  19  -4.148   7.699   2.917
  142    H    LYS  20           H        LYS  20  -1.501   8.063   2.867
  143    HA   LYS  20           HA       LYS  20  -1.016   9.831   5.039
  144    HB2  LYS  20          2HB       LYS  20   0.818   7.694   3.949
  145    HB3  LYS  20          1HB       LYS  20   0.984   8.473   5.518
  146    HG2  LYS  20          2HG       LYS  20  -1.221   7.497   6.142
  147    HG3  LYS  20          1HG       LYS  20  -1.228   6.641   4.604
  148    HD2  LYS  20          2HD       LYS  20  -0.420   5.079   6.170
  149    HD3  LYS  20          1HD       LYS  20   1.012   5.657   5.324
  150    HE2  LYS  20          2HE       LYS  20   1.508   5.555   7.676
  151    HE3  LYS  20          1HE       LYS  20   1.394   7.246   7.199
  152    HZ1  LYS  20          1HZ       LYS  20  -0.738   5.704   8.585
  153    HZ2  LYS  20          2HZ       LYS  20  -0.833   7.342   8.166
  154    HZ3  LYS  20          3HZ       LYS  20   0.285   6.825   9.289
  155    H    GLY  21           H        GLY  21   0.213   9.615   1.825
  156    HA2  GLY  21          2HA       GLY  21   1.030  11.657   0.796
  157    HA3  GLY  21          1HA       GLY  21   1.751  12.084   2.343
  158    H    PHE  22           H        PHE  22   1.924   8.884   1.175
  159    HA   PHE  22           HA       PHE  22   4.794   9.013   1.107
  160    HB2  PHE  22          2HB       PHE  22   2.752   6.948   1.404
  161    HB3  PHE  22          1HB       PHE  22   4.144   6.351   0.543
  162    HD1  PHE  22          1HD       PHE  22   6.330   6.552   1.550
  163    HD2  PHE  22          2HD       PHE  22   2.783   7.345   3.708
  164    HE1  PHE  22          1HE       PHE  22   7.548   6.237   3.567
  165    HE2  PHE  22          2HE       PHE  22   4.000   7.037   5.822
  166    HZ   PHE  22           HZ       PHE  22   6.404   6.481   5.777
  167    H    ARG  23           H        ARG  23   5.990   7.948  -0.613
  168    HA   ARG  23           HA       ARG  23   5.469   8.828  -3.216
  169    HB2  ARG  23          2HB       ARG  23   7.199   6.615  -2.125
  170    HB3  ARG  23          1HB       ARG  23   7.155   7.016  -3.832
  171    HG2  ARG  23          2HG       ARG  23   7.868   8.997  -1.695
  172    HG3  ARG  23          1HG       ARG  23   9.038   7.978  -2.546
  173    HD2  ARG  23          2HD       ARG  23   7.127   9.889  -3.870
  174    HD3  ARG  23          1HD       ARG  23   8.828  10.222  -3.536
  175    HE   ARG  23           HE       ARG  23   9.010   7.961  -4.898
  176   HH11  ARG  23          1HH1      ARG  23   7.119  10.841  -5.651
  177   HH12  ARG  23          2HH1      ARG  23   7.234  10.654  -7.339
  178   HH21  ARG  23          1HH2      ARG  23   9.231   7.725  -7.174
  179   HH22  ARG  23          2HH2      ARG  23   8.512   8.847  -8.241
  180    H    GLY  24           H        GLY  24   4.566   6.025  -1.458
  181    HA2  GLY  24          2HA       GLY  24   2.336   5.384  -2.815
  182    HA3  GLY  24          1HA       GLY  24   3.627   4.559  -3.693
  183    H    GLY  25           H        GLY  25   2.190   2.790  -2.834
  184    HA2  GLY  25          2HA       GLY  25   3.455   1.803  -0.444
  185    HA3  GLY  25          1HA       GLY  25   1.691   1.897  -0.467
  186    H    TRP  26           H        TRP  26   2.901  -0.520  -0.215
  187    HA   TRP  26           HA       TRP  26   1.897  -1.802  -2.550
  188    HB2  TRP  26          2HB       TRP  26   3.897  -2.822  -3.340
  189    HB3  TRP  26          1HB       TRP  26   4.281  -1.116  -3.182
  190    HD1  TRP  26           HD       TRP  26   5.598  -4.438  -2.371
  191    HE1  TRP  26          1HE       TRP  26   7.535  -4.302  -0.668
  192    HE3  TRP  26          3HE       TRP  26   5.002   0.368  -0.805
  193    HZ2  TRP  26          2HZ       TRP  26   8.625  -2.485   1.079
  194    HZ3  TRP  26          3HZ       TRP  26   6.526   1.269   0.890
  195    HH2  TRP  26           HH       TRP  26   8.333  -0.140   1.832
  196    H    CYS  27           H        CYS  27   1.488  -3.893  -2.135
  197    HA   CYS  27           HA       CYS  27   2.006  -4.856   0.532
  198    HB2  CYS  27          2HB       CYS  27   0.437  -5.938  -1.791
  199    HB3  CYS  27          1HB       CYS  27   0.774  -6.897  -0.352
  200    H    ASP  28           H        ASP  28   3.695  -5.928   0.943
  201    HA   ASP  28           HA       ASP  28   5.546  -6.686  -1.138
  202    HB2  ASP  28          2HB       ASP  28   6.329  -5.737   1.026
  203    HB3  ASP  28          1HB       ASP  28   5.634  -7.120   1.858
  204    H    SER  29           H        SER  29   6.578  -8.953  -0.526
  205    HA   SER  29           HA       SER  29   4.739 -10.935  -1.500
  206    HB2  SER  29          2HB       SER  29   7.169 -10.987  -2.058
  207    HB3  SER  29          1HB       SER  29   7.535 -11.270  -0.362
  208    HG   SER  29           HG       SER  29   7.220 -13.075  -2.086
  209    H    ARG  30           H        ARG  30   6.062  -9.942   1.499
  210    HA   ARG  30           HA       ARG  30   5.207 -12.139   3.104
  211    HB2  ARG  30          2HB       ARG  30   6.201  -9.361   3.712
  212    HB3  ARG  30          1HB       ARG  30   5.839 -10.551   4.958
  213    HG2  ARG  30          2HG       ARG  30   7.577 -11.955   4.296
  214    HG3  ARG  30          1HG       ARG  30   7.733 -11.173   2.724
  215    HD2  ARG  30          2HD       ARG  30   8.312  -9.775   5.318
  216    HD3  ARG  30          1HD       ARG  30   9.546 -10.658   4.414
  217    HE   ARG  30           HE       ARG  30   8.370  -8.943   2.618
  218   HH11  ARG  30          1HH1      ARG  30  10.206  -8.474   5.643
  219   HH12  ARG  30          2HH1      ARG  30  10.883  -7.000   5.135
  220   HH21  ARG  30          1HH2      ARG  30   9.372  -6.996   1.928
  221   HH22  ARG  30          2HH2      ARG  30  10.412  -6.138   2.968
  222    H    LYS  31           H        LYS  31   3.406  -9.976   1.499
  223    HA   LYS  31           HA       LYS  31   1.251  -9.360   1.492
  224    HB2  LYS  31          2HB       LYS  31   0.908 -11.217   3.862
  225    HB3  LYS  31          1HB       LYS  31  -0.381 -10.581   2.855
  226    HG2  LYS  31          2HG       LYS  31   1.768 -12.530   2.033
  227    HG3  LYS  31          1HG       LYS  31   0.055 -12.871   2.260
  228    HD2  LYS  31          2HD       LYS  31  -0.451 -11.312   0.391
  229    HD3  LYS  31          1HD       LYS  31   1.282 -11.096   0.147
  230    HE2  LYS  31          2HE       LYS  31  -0.262 -13.678  -0.120
  231    HE3  LYS  31          1HE       LYS  31   0.417 -12.722  -1.430
  232    HZ1  LYS  31          1HZ       LYS  31   1.819 -14.599  -0.922
  233    HZ2  LYS  31          2HZ       LYS  31   1.961 -14.140   0.680
  234    HZ3  LYS  31          3HZ       LYS  31   2.666 -13.207  -0.515
  235    H    VAL  32           H        VAL  32   3.208  -8.002   3.089
  236    HA   VAL  32           HA       VAL  32   1.585  -6.768   5.194
  237    HB   VAL  32           HB       VAL  32   4.516  -6.344   4.554
  238   HG11  VAL  32          1HG1      VAL  32   4.655  -5.352   6.796
  239   HG12  VAL  32          2HG1      VAL  32   2.916  -5.559   6.990
  240   HG13  VAL  32          3HG1      VAL  32   3.540  -4.473   5.751
  241   HG21  VAL  32          1HG2      VAL  32   5.017  -7.761   6.490
  242   HG22  VAL  32          2HG2      VAL  32   4.147  -8.650   5.239
  243   HG23  VAL  32          3HG2      VAL  32   3.297  -8.099   6.680
  244    H    CYS  33           H        CYS  33   0.746  -4.873   4.911
  245    HA   CYS  33           HA       CYS  33   1.133  -3.406   2.491
  246    HB2  CYS  33          2HB       CYS  33  -0.684  -3.199   4.839
  247    HB3  CYS  33          1HB       CYS  33  -0.292  -1.710   3.984
  248    H    ASN  34           H        ASN  34   2.865  -2.255   2.212
  249    HA   ASN  34           HA       ASN  34   3.925  -0.805   4.528
  250    HB2  ASN  34          2HB       ASN  34   5.405  -1.960   2.168
  251    HB3  ASN  34          1HB       ASN  34   6.118  -0.874   3.340
  252   HD21  ASN  34          1HD2      ASN  34   5.029  -4.062   2.690
  253   HD22  ASN  34          2HD2      ASN  34   5.714  -4.792   4.107
  254    H    CYS  35           H        CYS  35   4.501   1.292   4.188
  255    HA   CYS  35           HA       CYS  35   3.776   2.437   1.572
  256    HB2  CYS  35          2HB       CYS  35   3.689   3.751   4.299
  257    HB3  CYS  35          1HB       CYS  35   3.290   4.533   2.775
  258    H    ARG  36           H        ARG  36   5.440   3.245   0.429
  259    HA   ARG  36           HA       ARG  36   7.459   4.895   1.281
  260    HB2  ARG  36          2HB       ARG  36   8.191   2.926   2.662
  261    HB3  ARG  36          1HB       ARG  36   8.463   2.048   1.167
  262    HG2  ARG  36          2HG       ARG  36  10.155   3.654   0.523
  263    HG3  ARG  36          1HG       ARG  36   9.867   4.557   2.016
  264    HD2  ARG  36          2HD       ARG  36  10.447   2.544   3.310
  265    HD3  ARG  36          1HD       ARG  36  10.812   1.712   1.802
  266    HE   ARG  36           HE       ARG  36  12.276   4.081   1.942
  267   HH11  ARG  36          1HH1      ARG  36  12.117   0.898   3.478
  268   HH12  ARG  36          2HH1      ARG  36  13.774   0.824   3.848
  269   HH21  ARG  36          1HH2      ARG  36  14.585   3.970   2.461
  270   HH22  ARG  36          2HH2      ARG  36  15.196   2.600   3.268
  271    H    ARG  37           H        ARG  37   6.735   2.113  -0.791
  272    HA   ARG  37           HA       ARG  37   8.523   3.027  -2.872
  273    HB2  ARG  37          2HB       ARG  37   6.695   0.633  -2.740
  274    HB3  ARG  37          1HB       ARG  37   7.849   0.970  -4.022
  275    HG2  ARG  37          2HG       ARG  37   8.556   0.546  -1.148
  276    HG3  ARG  37          1HG       ARG  37   8.606  -0.716  -2.376
  277    HD2  ARG  37          2HD       ARG  37  10.193   1.835  -2.332
  278    HD3  ARG  37          1HD       ARG  37  10.796   0.198  -2.019
  279    HE   ARG  37           HE       ARG  37   9.929  -0.237  -4.375
  280   HH11  ARG  37          1HH1      ARG  37  11.510   2.752  -3.345
  281   HH12  ARG  37          2HH1      ARG  37  12.063   3.168  -4.904
  282   HH21  ARG  37          1HH2      ARG  37  10.733   0.332  -6.534
  283   HH22  ARG  37          2HH2      ARG  37  11.611   1.777  -6.731
  Start of MODEL    9
    1    H1   GLY   1          1HT       GLY   1  -9.436   0.058   5.531
    2    H2   GLY   1          2HT       GLY   1  -9.109  -1.474   4.866
    3    H3   GLY   1          3HT       GLY   1  -8.852  -0.090   3.950
    4    HA2  GLY   1          1HA       GLY   1  -7.098   0.608   5.387
    5    HA3  GLY   1          2HA       GLY   1  -7.367  -0.827   6.378
    6    H    ILE   2           H        ILE   2  -4.965  -0.866   5.642
    7    HA   ILE   2           HA       ILE   2  -4.638  -1.845   2.961
    8    HB   ILE   2           HB       ILE   2  -2.226  -2.105   3.615
    9   HG12  ILE   2          2HG1      ILE   2  -3.173  -0.706   6.134
   10   HG13  ILE   2          1HG1      ILE   2  -2.435  -2.296   6.033
   11   HG21  ILE   2          1HG2      ILE   2  -1.794   0.310   3.542
   12   HG22  ILE   2          2HG2      ILE   2  -3.514   0.595   3.823
   13   HG23  ILE   2          3HG2      ILE   2  -2.980  -0.232   2.358
   14   HD11  ILE   2          1HD1      ILE   2  -0.871  -0.634   6.844
   15   HD12  ILE   2          2HD1      ILE   2  -1.132   0.316   5.375
   16   HD13  ILE   2          3HD1      ILE   2  -0.358  -1.266   5.272
   17    H    THR   3           H        THR   3  -4.920  -3.759   2.395
   18    HA   THR   3           HA       THR   3  -4.110  -6.044   4.004
   19    HB   THR   3           HB       THR   3  -6.843  -5.759   2.710
   20    HG1  THR   3          1HG       THR   3  -6.047  -4.801   4.999
   21   HG21  THR   3          1HG2      THR   3  -7.372  -7.880   3.860
   22   HG22  THR   3          2HG2      THR   3  -5.725  -7.946   4.486
   23   HG23  THR   3          3HG2      THR   3  -6.016  -8.073   2.749
   24    H    CYS   4           H        CYS   4  -3.506  -7.802   2.543
   25    HA   CYS   4           HA       CYS   4  -3.291  -6.819  -0.190
   26    HB2  CYS   4          2HB       CYS   4  -1.596  -8.822   1.262
   27    HB3  CYS   4          1HB       CYS   4  -1.387  -8.346  -0.423
   28    H    ASP   5           H        ASP   5  -5.034  -7.494  -1.220
   29    HA   ASP   5           HA       ASP   5  -5.710 -10.342  -1.179
   30    HB2  ASP   5          2HB       ASP   5  -7.585  -8.738  -1.068
   31    HB3  ASP   5          1HB       ASP   5  -6.995  -7.955  -2.528
   32    H    LEU   6           H        LEU   6  -4.463  -7.742  -3.117
   33    HA   LEU   6           HA       LEU   6  -3.464  -9.670  -5.067
   34    HB2  LEU   6          2HB       LEU   6  -4.048  -6.715  -5.414
   35    HB3  LEU   6          1HB       LEU   6  -3.336  -7.742  -6.639
   36    HG   LEU   6           HG       LEU   6  -6.137  -7.984  -5.551
   37   HD11  LEU   6          1HD1      LEU   6  -5.101  -6.966  -8.191
   38   HD12  LEU   6          2HD1      LEU   6  -5.843  -5.997  -6.917
   39   HD13  LEU   6          3HD1      LEU   6  -6.798  -7.204  -7.778
   40   HD21  LEU   6          1HD2      LEU   6  -4.733  -9.472  -7.770
   41   HD22  LEU   6          2HD2      LEU   6  -6.450  -9.581  -7.389
   42   HD23  LEU   6          3HD2      LEU   6  -5.255 -10.146  -6.224
   43    H    ILE   7           H        ILE   7  -1.278  -9.436  -5.489
   44    HA   ILE   7           HA       ILE   7   0.173  -7.872  -3.570
   45    HB   ILE   7           HB       ILE   7   1.099  -9.973  -5.534
   46   HG12  ILE   7          2HG1      ILE   7   1.674 -11.171  -3.490
   47   HG13  ILE   7          1HG1      ILE   7   0.765 -10.006  -2.529
   48   HG21  ILE   7          1HG2      ILE   7   2.873  -8.332  -5.201
   49   HG22  ILE   7          2HG2      ILE   7   3.285  -9.854  -4.412
   50   HG23  ILE   7          3HG2      ILE   7   2.712  -8.492  -3.452
   51   HD11  ILE   7          1HD1      ILE   7  -1.264 -10.719  -3.820
   52   HD12  ILE   7          2HD1      ILE   7  -0.561 -12.001  -2.843
   53   HD13  ILE   7          3HD1      ILE   7  -0.277 -11.964  -4.586
   54    H    GLY   8           H        GLY   8   0.703  -6.004  -4.049
   55    HA2  GLY   8          2HA       GLY   8   1.821  -4.227  -5.155
   56    HA3  GLY   8          1HA       GLY   8   2.091  -5.308  -6.509
   57    H    ASN   9           H        ASN   9  -0.597  -5.964  -6.976
   58    HA   ASN   9           HA       ASN   9  -1.484  -3.651  -8.520
   59    HB2  ASN   9          2HB       ASN   9  -2.615  -6.445  -8.237
   60    HB3  ASN   9          1HB       ASN   9  -3.277  -5.221  -9.302
   61   HD21  ASN   9          1HD2      ASN   9  -2.965  -6.505 -11.069
   62   HD22  ASN   9          2HD2      ASN   9  -1.404  -6.821 -11.725
   63    H    GLU  10           H        GLU  10  -1.666  -4.305  -5.564
   64    HA   GLU  10           HA       GLU  10  -4.434  -4.236  -4.919
   65    HB2  GLU  10          2HB       GLU  10  -2.930  -5.643  -3.751
   66    HB3  GLU  10          1HB       GLU  10  -1.867  -4.341  -3.325
   67    HG2  GLU  10          2HG       GLU  10  -3.130  -5.088  -1.477
   68    HG3  GLU  10          1HG       GLU  10  -3.612  -3.444  -1.909
   69    H    ARG  11           H        ARG  11  -4.620  -2.244  -6.097
   70    HA   ARG  11           HA       ARG  11  -3.482   0.212  -5.402
   71    HB2  ARG  11          2HB       ARG  11  -6.194  -0.288  -6.584
   72    HB3  ARG  11          1HB       ARG  11  -5.410   1.281  -6.511
   73    HG2  ARG  11          2HG       ARG  11  -3.544   0.275  -7.876
   74    HG3  ARG  11          1HG       ARG  11  -4.589  -1.131  -8.108
   75    HD2  ARG  11          2HD       ARG  11  -4.820   0.398  -9.983
   76    HD3  ARG  11          1HD       ARG  11  -6.321   0.343  -9.050
   77    HE   ARG  11           HE       ARG  11  -4.458   2.415  -8.316
   78   HH11  ARG  11          1HH1      ARG  11  -7.338   1.644 -10.223
   79   HH12  ARG  11          2HH1      ARG  11  -7.833   3.264 -10.378
   80   HH21  ARG  11          1HH2      ARG  11  -5.127   4.615  -8.534
   81   HH22  ARG  11          2HH2      ARG  11  -6.553   5.001  -9.390
   82    H    LEU  12           H        LEU  12  -6.174  -1.475  -3.971
   83    HA   LEU  12           HA       LEU  12  -7.174   0.670  -2.432
   84    HB2  LEU  12          2HB       LEU  12  -7.325  -2.300  -1.944
   85    HB3  LEU  12          1HB       LEU  12  -8.226  -1.103  -1.036
   86    HG   LEU  12           HG       LEU  12  -8.529  -1.620  -3.997
   87   HD11  LEU  12          1HD1      LEU  12  -9.321  -3.489  -2.655
   88   HD12  LEU  12          2HD1      LEU  12 -10.663  -2.616  -3.394
   89   HD13  LEU  12          3HD1      LEU  12 -10.296  -2.385  -1.683
   90   HD21  LEU  12          1HD2      LEU  12  -9.056   0.690  -3.401
   91   HD22  LEU  12          2HD2      LEU  12 -10.110   0.126  -2.106
   92   HD23  LEU  12          3HD2      LEU  12 -10.527  -0.204  -3.786
   93    H    CYS  13           H        CYS  13  -4.369  -1.253  -2.105
   94    HA   CYS  13           HA       CYS  13  -3.997  -0.561   0.665
   95    HB2  CYS  13          2HB       CYS  13  -3.125  -2.701   0.011
   96    HB3  CYS  13          1HB       CYS  13  -2.296  -1.999  -1.379
   97    H    VAL  14           H        VAL  14  -2.578   0.131  -2.478
   98    HA   VAL  14           HA       VAL  14  -0.579   1.927  -1.773
   99    HB   VAL  14           HB       VAL  14  -2.228   2.133  -4.284
  100   HG11  VAL  14          1HG1      VAL  14  -0.127   2.918  -5.315
  101   HG12  VAL  14          2HG1      VAL  14   0.650   2.842  -3.735
  102   HG13  VAL  14          3HG1      VAL  14  -0.681   3.966  -4.009
  103   HG21  VAL  14          1HG2      VAL  14  -1.582  -0.192  -4.017
  104   HG22  VAL  14          2HG2      VAL  14   0.095   0.278  -3.745
  105   HG23  VAL  14          3HG2      VAL  14  -0.651   0.538  -5.322
  106    H    VAL  15           H        VAL  15  -3.998   2.541  -2.426
  107    HA   VAL  15           HA       VAL  15  -3.867   5.335  -2.470
  108    HB   VAL  15           HB       VAL  15  -5.770   3.971  -3.304
  109   HG11  VAL  15          1HG1      VAL  15  -6.066   2.435  -1.497
  110   HG12  VAL  15          2HG1      VAL  15  -7.571   3.310  -1.795
  111   HG13  VAL  15          3HG1      VAL  15  -6.549   3.744  -0.421
  112   HG21  VAL  15          1HG2      VAL  15  -6.479   6.196  -1.411
  113   HG22  VAL  15          2HG2      VAL  15  -7.546   5.570  -2.667
  114   HG23  VAL  15          3HG2      VAL  15  -6.030   6.361  -3.109
  115    H    HIS  16           H        HIS  16  -3.906   3.153   0.237
  116    HA   HIS  16           HA       HIS  16  -4.697   5.086   2.203
  117    HB2  HIS  16          2HB       HIS  16  -4.899   2.652   2.672
  118    HB3  HIS  16          1HB       HIS  16  -3.170   2.482   2.470
  119    HD1  HIS  16          1HD       HIS  16  -5.605   4.219   4.869
  120    HD2  HIS  16          2HD       HIS  16  -1.762   2.643   4.725
  121    HE1  HIS  16          1HE       HIS  16  -4.744   4.303   7.215
  122    H    CYS  17           H        CYS  17  -1.695   3.889   0.933
  123    HA   CYS  17           HA       CYS  17   0.096   5.373   2.562
  124    HB2  CYS  17          2HB       CYS  17   0.496   4.458  -0.276
  125    HB3  CYS  17          1HB       CYS  17   1.721   4.706   0.964
  126    H    LEU  18           H        LEU  18  -1.397   5.946  -0.579
  127    HA   LEU  18           HA       LEU  18  -0.147   8.429  -1.116
  128    HB2  LEU  18          2HB       LEU  18  -2.844   7.461  -2.070
  129    HB3  LEU  18          1HB       LEU  18  -1.917   8.769  -2.768
  130    HG   LEU  18           HG       LEU  18  -1.157   5.849  -2.786
  131   HD11  LEU  18          1HD1      LEU  18  -3.011   6.339  -4.270
  132   HD12  LEU  18          2HD1      LEU  18  -1.549   5.997  -5.193
  133   HD13  LEU  18          3HD1      LEU  18  -2.100   7.660  -4.998
  134   HD21  LEU  18          1HD2      LEU  18   0.221   8.223  -4.045
  135   HD22  LEU  18          2HD2      LEU  18   0.656   6.534  -4.293
  136   HD23  LEU  18          3HD2      LEU  18   0.832   7.261  -2.697
  137    H    ALA  19           H        ALA  19  -3.039   7.563   0.670
  138    HA   ALA  19           HA       ALA  19  -4.053  10.182   1.037
  139    HB1  ALA  19          1HB       ALA  19  -5.349   9.182   2.882
  140    HB2  ALA  19          2HB       ALA  19  -4.399   7.703   2.726
  141    HB3  ALA  19          3HB       ALA  19  -5.441   8.229   1.403
  142    H    LYS  20           H        LYS  20  -1.950   8.111   2.982
  143    HA   LYS  20           HA       LYS  20  -1.559  10.059   5.011
  144    HB2  LYS  20          2HB       LYS  20  -0.052   7.553   4.332
  145    HB3  LYS  20          1HB       LYS  20   0.452   8.615   5.642
  146    HG2  LYS  20          2HG       LYS  20  -1.740   8.306   6.705
  147    HG3  LYS  20          1HG       LYS  20  -2.205   7.211   5.406
  148    HD2  LYS  20          2HD       LYS  20  -0.491   5.662   6.013
  149    HD3  LYS  20          1HD       LYS  20   0.183   6.791   7.192
  150    HE2  LYS  20          2HE       LYS  20  -1.863   6.668   8.500
  151    HE3  LYS  20          1HE       LYS  20  -2.580   5.602   7.297
  152    HZ1  LYS  20          1HZ       LYS  20  -0.184   4.983   8.914
  153    HZ2  LYS  20          2HZ       LYS  20  -0.925   3.941   7.808
  154    HZ3  LYS  20          3HZ       LYS  20  -1.731   4.395   9.206
  155    H    GLY  21           H        GLY  21  -0.161   9.667   1.928
  156    HA2  GLY  21          2HA       GLY  21   0.716  11.786   1.037
  157    HA3  GLY  21          1HA       GLY  21   1.522  12.014   2.583
  158    H    PHE  22           H        PHE  22   1.594   8.866   1.623
  159    HA   PHE  22           HA       PHE  22   4.409   8.887   1.157
  160    HB2  PHE  22          2HB       PHE  22   2.273   6.814   1.180
  161    HB3  PHE  22          1HB       PHE  22   3.858   6.364   0.606
  162    HD1  PHE  22          1HD       PHE  22   1.763   6.908   3.432
  163    HD2  PHE  22          2HD       PHE  22   5.775   6.718   2.102
  164    HE1  PHE  22          1HE       PHE  22   2.507   6.489   5.733
  165    HE2  PHE  22          2HE       PHE  22   6.541   6.308   4.290
  166    HZ   PHE  22           HZ       PHE  22   4.914   6.180   6.202
  167    H    ARG  23           H        ARG  23   5.403   8.027  -0.696
  168    HA   ARG  23           HA       ARG  23   4.286   8.901  -3.182
  169    HB2  ARG  23          2HB       ARG  23   6.755   8.875  -2.754
  170    HB3  ARG  23          1HB       ARG  23   6.690   7.119  -2.673
  171    HG2  ARG  23          2HG       ARG  23   5.751   7.187  -5.030
  172    HG3  ARG  23          1HG       ARG  23   6.236   8.882  -5.059
  173    HD2  ARG  23          2HD       ARG  23   8.041   6.527  -4.561
  174    HD3  ARG  23          1HD       ARG  23   7.929   7.433  -6.067
  175    HE   ARG  23           HE       ARG  23   8.549   9.350  -4.359
  176   HH11  ARG  23          1HH1      ARG  23   9.889   6.108  -4.637
  177   HH12  ARG  23          2HH1      ARG  23  11.480   6.524  -4.210
  178   HH21  ARG  23          1HH2      ARG  23  10.729   9.977  -3.727
  179   HH22  ARG  23          2HH2      ARG  23  11.969   8.811  -3.699
  180    H    GLY  24           H        GLY  24   4.388   6.007  -1.240
  181    HA2  GLY  24          2HA       GLY  24   2.213   4.882  -2.407
  182    HA3  GLY  24          1HA       GLY  24   3.548   4.350  -3.406
  183    H    GLY  25           H        GLY  25   2.139   2.518  -2.423
  184    HA2  GLY  25          2HA       GLY  25   3.636   1.358  -0.246
  185    HA3  GLY  25          1HA       GLY  25   1.874   1.489  -0.163
  186    H    TRP  26           H        TRP  26   3.424  -0.910  -0.220
  187    HA   TRP  26           HA       TRP  26   2.209  -2.207  -2.508
  188    HB2  TRP  26          2HB       TRP  26   4.263  -3.134  -3.378
  189    HB3  TRP  26          1HB       TRP  26   4.450  -1.389  -3.320
  190    HD1  TRP  26           HD       TRP  26   6.177  -4.505  -2.336
  191    HE1  TRP  26          1HE       TRP  26   8.184  -3.999  -0.780
  192    HE3  TRP  26          3HE       TRP  26   5.139   0.334  -1.180
  193    HZ2  TRP  26          2HZ       TRP  26   9.155  -1.852   0.742
  194    HZ3  TRP  26          3HZ       TRP  26   6.621   1.543   0.339
  195    HH2  TRP  26           HH       TRP  26   8.605   0.466   1.272
  196    H    CYS  27           H        CYS  27   2.089  -4.418  -2.197
  197    HA   CYS  27           HA       CYS  27   2.509  -5.394   0.479
  198    HB2  CYS  27          2HB       CYS  27   1.525  -6.754  -2.026
  199    HB3  CYS  27          1HB       CYS  27   1.495  -7.442  -0.403
  200    H    ASP  28           H        ASP  28   4.371  -6.274   1.062
  201    HA   ASP  28           HA       ASP  28   6.287  -7.013  -0.991
  202    HB2  ASP  28          2HB       ASP  28   7.942  -7.204   0.752
  203    HB3  ASP  28          1HB       ASP  28   7.015  -5.752   1.074
  204    H    SER  29           H        SER  29   7.654  -9.150   0.103
  205    HA   SER  29           HA       SER  29   6.180 -11.283  -0.883
  206    HB2  SER  29          2HB       SER  29   8.142 -12.588   0.182
  207    HB3  SER  29          1HB       SER  29   8.502 -11.411  -1.084
  208    HG   SER  29           HG       SER  29   9.877 -10.765   0.438
  209    H    ARG  30           H        ARG  30   6.326  -9.988   2.323
  210    HA   ARG  30           HA       ARG  30   5.295 -12.387   3.619
  211    HB2  ARG  30          2HB       ARG  30   5.674  -9.595   4.669
  212    HB3  ARG  30          1HB       ARG  30   5.329 -11.023   5.628
  213    HG2  ARG  30          2HG       ARG  30   7.473 -11.911   5.255
  214    HG3  ARG  30          1HG       ARG  30   7.793 -10.775   3.935
  215    HD2  ARG  30          2HD       ARG  30   7.445 -10.079   6.850
  216    HD3  ARG  30          1HD       ARG  30   8.955 -10.050   5.928
  217    HE   ARG  30           HE       ARG  30   7.280  -8.480   4.501
  218   HH11  ARG  30          1HH1      ARG  30   8.619  -8.350   7.771
  219   HH12  ARG  30          2HH1      ARG  30   8.302  -6.689   7.985
  220   HH21  ARG  30          1HH2      ARG  30   6.859  -6.274   4.760
  221   HH22  ARG  30          2HH2      ARG  30   7.294  -5.424   6.189
  222    H    LYS  31           H        LYS  31   3.897 -10.240   1.629
  223    HA   LYS  31           HA       LYS  31   1.773  -9.601   1.133
  224    HB2  LYS  31          2HB       LYS  31   0.926 -11.399   3.428
  225    HB3  LYS  31          1HB       LYS  31  -0.156 -10.698   2.241
  226    HG2  LYS  31          2HG       LYS  31   2.013 -12.717   1.689
  227    HG3  LYS  31          1HG       LYS  31   0.286 -13.053   1.785
  228    HD2  LYS  31          2HD       LYS  31  -0.061 -11.506  -0.127
  229    HD3  LYS  31          1HD       LYS  31   1.688 -11.321  -0.243
  230    HE2  LYS  31          2HE       LYS  31   0.935 -12.974  -1.850
  231    HE3  LYS  31          1HE       LYS  31   1.917 -13.731  -0.608
  232    HZ1  LYS  31          1HZ       LYS  31  -0.083 -14.551   0.464
  233    HZ2  LYS  31          2HZ       LYS  31  -0.077 -15.025  -1.142
  234    HZ3  LYS  31          3HZ       LYS  31  -1.060 -13.762  -0.657
  235    H    VAL  32           H        VAL  32   3.424  -8.222   3.084
  236    HA   VAL  32           HA       VAL  32   1.407  -6.884   4.751
  237    HB   VAL  32           HB       VAL  32   4.439  -6.676   4.823
  238   HG11  VAL  32          1HG1      VAL  32   4.122  -5.520   6.966
  239   HG12  VAL  32          2HG1      VAL  32   2.374  -5.594   6.741
  240   HG13  VAL  32          3HG1      VAL  32   3.364  -4.644   5.635
  241   HG21  VAL  32          1HG2      VAL  32   2.579  -8.137   6.690
  242   HG22  VAL  32          2HG2      VAL  32   4.325  -7.962   6.888
  243   HG23  VAL  32          3HG2      VAL  32   3.677  -8.881   5.528
  244    H    CYS  33           H        CYS  33   0.760  -4.926   4.312
  245    HA   CYS  33           HA       CYS  33   1.690  -3.576   1.982
  246    HB2  CYS  33          2HB       CYS  33  -0.352  -3.060   4.073
  247    HB3  CYS  33          1HB       CYS  33   0.196  -1.743   3.057
  248    H    ASN  34           H        ASN  34   3.404  -2.392   1.962
  249    HA   ASN  34           HA       ASN  34   4.212  -0.976   4.421
  250    HB2  ASN  34          2HB       ASN  34   5.969  -1.668   2.050
  251    HB3  ASN  34          1HB       ASN  34   6.482  -0.996   3.589
  252   HD21  ASN  34          1HD2      ASN  34   5.501  -3.781   1.876
  253   HD22  ASN  34          2HD2      ASN  34   5.909  -4.968   3.056
  254    H    CYS  35           H        CYS  35   4.169   1.170   4.201
  255    HA   CYS  35           HA       CYS  35   4.087   2.350   1.470
  256    HB2  CYS  35          2HB       CYS  35   3.218   3.639   4.062
  257    HB3  CYS  35          1HB       CYS  35   2.900   4.205   2.435
  258    H    ARG  36           H        ARG  36   5.872   3.440   0.970
  259    HA   ARG  36           HA       ARG  36   7.464   4.879   2.776
  260    HB2  ARG  36          2HB       ARG  36   7.718   2.651   3.874
  261    HB3  ARG  36          1HB       ARG  36   8.525   2.077   2.429
  262    HG2  ARG  36          2HG       ARG  36  10.278   3.713   2.768
  263    HG3  ARG  36          1HG       ARG  36   9.459   4.275   4.234
  264    HD2  ARG  36          2HD       ARG  36   9.604   1.985   5.147
  265    HD3  ARG  36          1HD       ARG  36  10.509   1.506   3.717
  266    HE   ARG  36           HE       ARG  36  11.824   3.650   4.819
  267   HH11  ARG  36          1HH1      ARG  36  11.042   0.310   5.682
  268   HH12  ARG  36          2HH1      ARG  36  12.337   0.123   6.768
  269   HH21  ARG  36          1HH2      ARG  36  13.624   3.400   6.323
  270   HH22  ARG  36          2HH2      ARG  36  13.819   1.936   7.158
  271    H    ARG  37           H        ARG  37   7.193   3.103  -0.227
  272    HA   ARG  37           HA       ARG  37   9.755   4.179  -0.940
  273    HB2  ARG  37          2HB       ARG  37   9.973   2.467  -2.664
  274    HB3  ARG  37          1HB       ARG  37   9.332   1.753  -1.190
  275    HG2  ARG  37          2HG       ARG  37   7.253   1.421  -2.046
  276    HG3  ARG  37          1HG       ARG  37   7.549   2.468  -3.449
  277    HD2  ARG  37          2HD       ARG  37   8.948  -0.141  -2.852
  278    HD3  ARG  37          1HD       ARG  37   7.674   0.080  -4.052
  279    HE   ARG  37           HE       ARG  37   9.654   1.928  -4.606
  280   HH11  ARG  37          1HH1      ARG  37   9.401  -1.622  -4.591
  281   HH12  ARG  37          2HH1      ARG  37  10.539  -1.847  -5.815
  282   HH21  ARG  37          1HH2      ARG  37  11.224   1.599  -6.285
  283   HH22  ARG  37          2HH2      ARG  37  11.621   0.039  -6.800
  Start of MODEL   10
    1    H1   GLY   1          1HT       GLY   1  -6.602  -3.652   9.232
    2    H2   GLY   1          2HT       GLY   1  -6.712  -2.357  10.286
    3    H3   GLY   1          3HT       GLY   1  -5.459  -2.420   9.166
    4    HA2  GLY   1          1HA       GLY   1  -8.336  -2.123   8.560
    5    HA3  GLY   1          2HA       GLY   1  -7.111  -0.858   8.430
    6    H    ILE   2           H        ILE   2  -5.176  -1.537   7.014
    7    HA   ILE   2           HA       ILE   2  -6.327  -2.122   4.494
    8    HB   ILE   2           HB       ILE   2  -3.900  -1.958   3.677
    9   HG12  ILE   2          2HG1      ILE   2  -3.541  -1.085   6.559
   10   HG13  ILE   2          1HG1      ILE   2  -2.689  -2.368   5.717
   11   HG21  ILE   2          1HG2      ILE   2  -5.474  -0.198   3.330
   12   HG22  ILE   2          2HG2      ILE   2  -3.927   0.498   3.821
   13   HG23  ILE   2          3HG2      ILE   2  -5.255   0.384   4.980
   14   HD11  ILE   2          1HD1      ILE   2  -1.616  -0.663   4.299
   15   HD12  ILE   2          2HD1      ILE   2  -1.251  -0.462   6.010
   16   HD13  ILE   2          3HD1      ILE   2  -2.432   0.592   5.230
   17    H    THR   3           H        THR   3  -5.824  -3.750   3.082
   18    HA   THR   3           HA       THR   3  -4.782  -6.234   4.256
   19    HB   THR   3           HB       THR   3  -7.371  -6.058   2.700
   20    HG1  THR   3          1HG       THR   3  -6.799  -5.863   5.447
   21   HG21  THR   3          1HG2      THR   3  -7.735  -8.336   3.558
   22   HG22  THR   3          2HG2      THR   3  -6.193  -8.270   4.407
   23   HG23  THR   3          3HG2      THR   3  -6.229  -8.245   2.645
   24    H    CYS   4           H        CYS   4  -3.834  -7.579   2.701
   25    HA   CYS   4           HA       CYS   4  -3.678  -6.456   0.008
   26    HB2  CYS   4          2HB       CYS   4  -1.808  -8.352   1.410
   27    HB3  CYS   4          1HB       CYS   4  -1.628  -7.779  -0.246
   28    H    ASP   5           H        ASP   5  -4.795  -7.477  -1.493
   29    HA   ASP   5           HA       ASP   5  -5.367 -10.304  -1.087
   30    HB2  ASP   5          2HB       ASP   5  -7.273  -8.838  -1.685
   31    HB3  ASP   5          1HB       ASP   5  -6.433  -8.368  -3.160
   32    H    LEU   6           H        LEU   6  -4.049  -7.937  -3.341
   33    HA   LEU   6           HA       LEU   6  -2.607 -10.081  -4.674
   34    HB2  LEU   6          2HB       LEU   6  -3.200  -7.253  -5.538
   35    HB3  LEU   6          1HB       LEU   6  -2.193  -8.373  -6.427
   36    HG   LEU   6           HG       LEU   6  -5.145  -8.703  -5.900
   37   HD11  LEU   6          1HD1      LEU   6  -4.621  -6.903  -7.480
   38   HD12  LEU   6          2HD1      LEU   6  -5.392  -8.267  -8.280
   39   HD13  LEU   6          3HD1      LEU   6  -3.652  -8.027  -8.433
   40   HD21  LEU   6          1HD2      LEU   6  -4.023 -10.862  -6.039
   41   HD22  LEU   6          2HD2      LEU   6  -3.221 -10.367  -7.527
   42   HD23  LEU   6          3HD2      LEU   6  -4.970 -10.575  -7.499
   43    H    ILE   7           H        ILE   7  -0.523  -9.354  -5.416
   44    HA   ILE   7           HA       ILE   7   0.937  -7.832  -3.386
   45    HB   ILE   7           HB       ILE   7   1.872 -10.121  -5.163
   46   HG12  ILE   7          2HG1      ILE   7   1.454  -9.975  -2.172
   47   HG13  ILE   7          1HG1      ILE   7   0.434 -10.827  -3.310
   48   HG21  ILE   7          1HG2      ILE   7   3.675  -8.517  -4.833
   49   HG22  ILE   7          2HG2      ILE   7   4.000 -10.003  -3.938
   50   HG23  ILE   7          3HG2      ILE   7   3.424  -8.571  -3.088
   51   HD11  ILE   7          1HD1      ILE   7   1.916 -12.345  -2.096
   52   HD12  ILE   7          2HD1      ILE   7   3.316 -11.488  -2.753
   53   HD13  ILE   7          3HD1      ILE   7   2.228 -12.359  -3.829
   54    H    GLY   8           H        GLY   8   2.047  -6.107  -4.122
   55    HA2  GLY   8          2HA       GLY   8   2.983  -4.565  -5.559
   56    HA3  GLY   8          1HA       GLY   8   2.933  -5.785  -6.812
   57    H    ASN   9           H        ASN   9   0.056  -6.103  -6.690
   58    HA   ASN   9           HA       ASN   9  -0.656  -3.761  -8.346
   59    HB2  ASN   9          2HB       ASN   9  -1.698  -6.590  -8.292
   60    HB3  ASN   9          1HB       ASN   9  -2.406  -5.315  -9.271
   61   HD21  ASN   9          1HD2      ASN   9   0.384  -7.413  -8.845
   62   HD22  ASN   9          2HD2      ASN   9   1.055  -7.095 -10.385
   63    H    GLU  10           H        GLU  10  -0.924  -4.342  -5.386
   64    HA   GLU  10           HA       GLU  10  -3.780  -4.388  -5.026
   65    HB2  GLU  10          2HB       GLU  10  -2.377  -5.794  -3.671
   66    HB3  GLU  10          1HB       GLU  10  -1.492  -4.430  -3.047
   67    HG2  GLU  10          2HG       GLU  10  -3.048  -5.306  -1.468
   68    HG3  GLU  10          1HG       GLU  10  -3.502  -3.659  -1.929
   69    H    ARG  11           H        ARG  11  -3.774  -2.346  -6.248
   70    HA   ARG  11           HA       ARG  11  -2.790   0.081  -5.205
   71    HB2  ARG  11          2HB       ARG  11  -3.360  -0.240  -7.563
   72    HB3  ARG  11          1HB       ARG  11  -5.056  -0.328  -7.135
   73    HG2  ARG  11          2HG       ARG  11  -5.118   1.960  -6.492
   74    HG3  ARG  11          1HG       ARG  11  -3.361   2.097  -6.593
   75    HD2  ARG  11          2HD       ARG  11  -5.167   1.480  -8.924
   76    HD3  ARG  11          1HD       ARG  11  -4.544   3.085  -8.529
   77    HE   ARG  11           HE       ARG  11  -2.291   1.802  -8.672
   78   HH11  ARG  11          1HH1      ARG  11  -5.063   1.433 -10.852
   79   HH12  ARG  11          2HH1      ARG  11  -4.115   1.062 -12.208
   80   HH21  ARG  11          1HH2      ARG  11  -1.004   1.289 -10.544
   81   HH22  ARG  11          2HH2      ARG  11  -1.771   0.977 -12.033
   82    H    LEU  12           H        LEU  12  -5.664  -1.659  -4.546
   83    HA   LEU  12           HA       LEU  12  -7.111   0.421  -3.301
   84    HB2  LEU  12          2HB       LEU  12  -7.220  -2.555  -2.845
   85    HB3  LEU  12          1HB       LEU  12  -8.314  -1.416  -2.088
   86    HG   LEU  12           HG       LEU  12  -8.073  -1.864  -5.065
   87   HD11  LEU  12          1HD1      LEU  12 -10.207  -2.720  -3.115
   88   HD12  LEU  12          2HD1      LEU  12  -9.050  -3.781  -3.919
   89   HD13  LEU  12          3HD1      LEU  12 -10.260  -2.922  -4.867
   90   HD21  LEU  12          1HD2      LEU  12  -9.997  -0.203  -3.442
   91   HD22  LEU  12          2HD2      LEU  12 -10.095  -0.485  -5.176
   92   HD23  LEU  12          3HD2      LEU  12  -8.741   0.417  -4.514
   93    H    CYS  13           H        CYS  13  -4.405  -1.455  -2.219
   94    HA   CYS  13           HA       CYS  13  -4.757  -0.373   0.433
   95    HB2  CYS  13          2HB       CYS  13  -3.811  -2.612   0.316
   96    HB3  CYS  13          1HB       CYS  13  -2.500  -2.037  -0.716
   97    H    VAL  14           H        VAL  14  -2.809   0.078  -2.423
   98    HA   VAL  14           HA       VAL  14  -0.845   1.840  -1.558
   99    HB   VAL  14           HB       VAL  14  -2.218   1.885  -4.256
  100   HG11  VAL  14          1HG1      VAL  14   0.530   2.830  -3.457
  101   HG12  VAL  14          2HG1      VAL  14  -0.833   3.847  -3.924
  102   HG13  VAL  14          3HG1      VAL  14  -0.091   2.769  -5.107
  103   HG21  VAL  14          1HG2      VAL  14  -1.409  -0.356  -3.687
  104   HG22  VAL  14          2HG2      VAL  14   0.195   0.307  -3.378
  105   HG23  VAL  14          3HG2      VAL  14  -0.480   0.354  -5.005
  106    H    VAL  15           H        VAL  15  -4.169   2.506  -2.467
  107    HA   VAL  15           HA       VAL  15  -4.086   5.272  -2.648
  108    HB   VAL  15           HB       VAL  15  -6.060   3.888  -3.270
  109   HG11  VAL  15          1HG1      VAL  15  -6.205   2.426  -1.384
  110   HG12  VAL  15          2HG1      VAL  15  -7.733   3.291  -1.587
  111   HG13  VAL  15          3HG1      VAL  15  -6.598   3.779  -0.325
  112   HG21  VAL  15          1HG2      VAL  15  -6.335   6.283  -3.136
  113   HG22  VAL  15          2HG2      VAL  15  -6.667   6.180  -1.408
  114   HG23  VAL  15          3HG2      VAL  15  -7.804   5.489  -2.566
  115    H    HIS  16           H        HIS  16  -4.098   3.289   0.243
  116    HA   HIS  16           HA       HIS  16  -4.679   5.339   2.117
  117    HB2  HIS  16          2HB       HIS  16  -4.932   3.065   2.839
  118    HB3  HIS  16          1HB       HIS  16  -3.301   2.655   2.345
  119    HD1  HIS  16          1HD       HIS  16  -4.984   4.852   5.019
  120    HD2  HIS  16          2HD       HIS  16  -1.521   2.679   4.308
  121    HE1  HIS  16          1HE       HIS  16  -3.625   4.985   7.148
  122    H    CYS  17           H        CYS  17  -1.725   4.069   0.781
  123    HA   CYS  17           HA       CYS  17   0.065   5.642   2.329
  124    HB2  CYS  17          2HB       CYS  17   0.546   4.532  -0.437
  125    HB3  CYS  17          1HB       CYS  17   1.744   4.897   0.806
  126    H    LEU  18           H        LEU  18  -1.503   6.079  -0.790
  127    HA   LEU  18           HA       LEU  18  -0.186   8.506  -1.479
  128    HB2  LEU  18          2HB       LEU  18  -2.859   7.457  -2.401
  129    HB3  LEU  18          1HB       LEU  18  -1.927   8.717  -3.182
  130    HG   LEU  18           HG       LEU  18  -1.110   5.823  -2.942
  131   HD11  LEU  18          1HD1      LEU  18  -2.103   7.398  -5.304
  132   HD12  LEU  18          2HD1      LEU  18  -2.972   6.117  -4.459
  133   HD13  LEU  18          3HD1      LEU  18  -1.498   5.742  -5.351
  134   HD21  LEU  18          1HD2      LEU  18   0.834   7.303  -2.979
  135   HD22  LEU  18          2HD2      LEU  18   0.205   8.113  -4.414
  136   HD23  LEU  18          3HD2      LEU  18   0.693   6.423  -4.500
  137    H    ALA  19           H        ALA  19  -3.099   7.721   0.316
  138    HA   ALA  19           HA       ALA  19  -4.081  10.366   0.550
  139    HB1  ALA  19          1HB       ALA  19  -4.552   7.977   2.329
  140    HB2  ALA  19          2HB       ALA  19  -5.492   8.393   0.895
  141    HB3  ALA  19          3HB       ALA  19  -5.512   9.456   2.304
  142    H    LYS  20           H        LYS  20  -1.897   8.396   2.442
  143    HA   LYS  20           HA       LYS  20  -1.607  10.339   4.517
  144    HB2  LYS  20          2HB       LYS  20   0.158   8.010   3.779
  145    HB3  LYS  20          1HB       LYS  20   0.430   9.034   5.180
  146    HG2  LYS  20          2HG       LYS  20  -1.883   8.409   5.936
  147    HG3  LYS  20          1HG       LYS  20  -1.889   7.215   4.643
  148    HD2  LYS  20          2HD       LYS  20   0.218   7.362   6.771
  149    HD3  LYS  20          1HD       LYS  20  -1.215   6.326   6.898
  150    HE2  LYS  20          2HE       LYS  20  -0.436   5.238   4.781
  151    HE3  LYS  20          1HE       LYS  20   1.040   6.198   4.904
  152    HZ1  LYS  20          1HZ       LYS  20   0.054   4.271   6.929
  153    HZ2  LYS  20          2HZ       LYS  20   1.458   5.191   7.069
  154    HZ3  LYS  20          3HZ       LYS  20   1.362   4.002   5.899
  155    H    GLY  21           H        GLY  21  -0.092   9.803   1.482
  156    HA2  GLY  21          2HA       GLY  21   0.843  11.729   0.378
  157    HA3  GLY  21          1HA       GLY  21   1.385  12.302   1.951
  158    H    PHE  22           H        PHE  22   1.689   9.005   1.159
  159    HA   PHE  22           HA       PHE  22   4.561   9.148   1.267
  160    HB2  PHE  22          2HB       PHE  22   2.500   7.065   1.502
  161    HB3  PHE  22          1HB       PHE  22   3.987   6.496   0.728
  162    HD1  PHE  22          1HD       PHE  22   2.497   8.049   3.712
  163    HD2  PHE  22          2HD       PHE  22   5.910   6.129   2.036
  164    HE1  PHE  22          1HE       PHE  22   3.473   7.818   5.942
  165    HE2  PHE  22          2HE       PHE  22   6.878   5.905   4.209
  166    HZ   PHE  22           HZ       PHE  22   5.674   6.747   6.219
  167    H    ARG  23           H        ARG  23   5.849   7.988  -0.400
  168    HA   ARG  23           HA       ARG  23   5.096   9.008  -2.979
  169    HB2  ARG  23          2HB       ARG  23   7.479   7.315  -2.166
  170    HB3  ARG  23          1HB       ARG  23   7.231   7.963  -3.771
  171    HG2  ARG  23          2HG       ARG  23   8.883   9.259  -2.592
  172    HG3  ARG  23          1HG       ARG  23   7.438  10.236  -2.861
  173    HD2  ARG  23          2HD       ARG  23   8.421  10.545  -0.609
  174    HD3  ARG  23          1HD       ARG  23   6.767   9.939  -0.572
  175    HE   ARG  23           HE       ARG  23   8.556   7.771  -0.497
  176   HH11  ARG  23          1HH1      ARG  23   7.420  10.418   1.575
  177   HH12  ARG  23          2HH1      ARG  23   7.725   9.602   3.040
  178   HH21  ARG  23          1HH2      ARG  23   8.972   6.651   1.536
  179   HH22  ARG  23          2HH2      ARG  23   8.659   7.421   3.010
  180    H    GLY  24           H        GLY  24   4.893   6.124  -1.208
  181    HA2  GLY  24          2HA       GLY  24   2.845   5.130  -2.710
  182    HA3  GLY  24          1HA       GLY  24   4.314   4.488  -3.423
  183    H    GLY  25           H        GLY  25   2.478   2.883  -2.577
  184    HA2  GLY  25          2HA       GLY  25   3.654   1.565  -0.307
  185    HA3  GLY  25          1HA       GLY  25   1.920   1.894  -0.321
  186    H    TRP  26           H        TRP  26   3.192  -0.651  -0.376
  187    HA   TRP  26           HA       TRP  26   1.751  -1.756  -2.587
  188    HB2  TRP  26          2HB       TRP  26   3.619  -2.833  -3.717
  189    HB3  TRP  26          1HB       TRP  26   3.882  -1.097  -3.709
  190    HD1  TRP  26           HD       TRP  26   5.679  -4.232  -3.090
  191    HE1  TRP  26          1HE       TRP  26   7.911  -3.767  -1.804
  192    HE3  TRP  26          3HE       TRP  26   4.865   0.512  -1.564
  193    HZ2  TRP  26          2HZ       TRP  26   9.079  -1.791  -0.371
  194    HZ3  TRP  26          3HZ       TRP  26   6.501   1.640  -0.246
  195    HH2  TRP  26           HH       TRP  26   8.617   0.568   0.356
  196    H    CYS  27           H        CYS  27   1.461  -3.906  -2.347
  197    HA   CYS  27           HA       CYS  27   2.142  -4.991   0.224
  198    HB2  CYS  27          2HB       CYS  27   0.539  -6.087  -2.076
  199    HB3  CYS  27          1HB       CYS  27   0.769  -6.909  -0.530
  200    H    ASP  28           H        ASP  28   3.829  -6.149   0.534
  201    HA   ASP  28           HA       ASP  28   5.398  -6.942  -1.792
  202    HB2  ASP  28          2HB       ASP  28   7.305  -7.069  -0.336
  203    HB3  ASP  28          1HB       ASP  28   6.372  -5.715   0.220
  204    H    SER  29           H        SER  29   6.730  -9.163  -0.971
  205    HA   SER  29           HA       SER  29   4.969 -11.208  -1.635
  206    HB2  SER  29          2HB       SER  29   7.665 -11.441  -0.318
  207    HB3  SER  29          1HB       SER  29   6.855 -12.660  -1.308
  208    HG   SER  29           HG       SER  29   6.927 -11.156  -3.055
  209    H    ARG  30           H        ARG  30   5.751  -9.906   1.504
  210    HA   ARG  30           HA       ARG  30   4.891 -12.249   2.974
  211    HB2  ARG  30          2HB       ARG  30   5.425  -9.435   3.898
  212    HB3  ARG  30          1HB       ARG  30   5.176 -10.823   4.940
  213    HG2  ARG  30          2HG       ARG  30   7.254 -11.770   4.314
  214    HG3  ARG  30          1HG       ARG  30   7.430 -10.636   2.964
  215    HD2  ARG  30          2HD       ARG  30   7.423  -9.948   5.898
  216    HD3  ARG  30          1HD       ARG  30   8.818  -9.899   4.807
  217    HE   ARG  30           HE       ARG  30   7.079  -8.343   3.538
  218   HH11  ARG  30          1HH1      ARG  30   8.235  -8.233   6.877
  219   HH12  ARG  30          2HH1      ARG  30   7.891  -6.580   7.084
  220   HH21  ARG  30          1HH2      ARG  30   6.550  -6.194   3.824
  221   HH22  ARG  30          2HH2      ARG  30   6.893  -5.314   5.248
  222    H    LYS  31           H        LYS  31   3.180 -10.121   1.181
  223    HA   LYS  31           HA       LYS  31   0.994  -9.502   1.028
  224    HB2  LYS  31          2HB       LYS  31   0.644 -11.325   3.423
  225    HB3  LYS  31          1HB       LYS  31  -0.690 -10.514   2.627
  226    HG2  LYS  31          2HG       LYS  31   1.156 -12.449   1.243
  227    HG3  LYS  31          1HG       LYS  31  -0.359 -12.908   2.019
  228    HD2  LYS  31          2HD       LYS  31  -1.546 -11.313   0.515
  229    HD3  LYS  31          1HD       LYS  31  -0.015 -11.022  -0.316
  230    HE2  LYS  31          2HE       LYS  31   0.136 -13.337  -0.964
  231    HE3  LYS  31          1HE       LYS  31  -1.284 -13.737  -0.004
  232    HZ1  LYS  31          1HZ       LYS  31  -1.281 -12.019  -2.452
  233    HZ2  LYS  31          2HZ       LYS  31  -2.623 -12.393  -1.494
  234    HZ3  LYS  31          3HZ       LYS  31  -1.821 -13.602  -2.311
  235    H    VAL  32           H        VAL  32   2.998  -8.150   2.706
  236    HA   VAL  32           HA       VAL  32   1.304  -6.749   4.635
  237    HB   VAL  32           HB       VAL  32   4.306  -6.581   4.197
  238   HG11  VAL  32          1HG1      VAL  32   2.602  -5.432   6.407
  239   HG12  VAL  32          2HG1      VAL  32   3.404  -4.517   5.131
  240   HG13  VAL  32          3HG1      VAL  32   4.363  -5.381   6.333
  241   HG21  VAL  32          1HG2      VAL  32   3.632  -8.758   5.076
  242   HG22  VAL  32          2HG2      VAL  32   2.767  -7.959   6.391
  243   HG23  VAL  32          3HG2      VAL  32   4.522  -7.825   6.278
  244    H    CYS  33           H        CYS  33   0.563  -4.843   4.254
  245    HA   CYS  33           HA       CYS  33   1.103  -3.369   1.874
  246    HB2  CYS  33          2HB       CYS  33  -0.512  -2.900   4.376
  247    HB3  CYS  33          1HB       CYS  33  -0.169  -1.591   3.258
  248    H    ASN  34           H        ASN  34   2.933  -2.212   1.662
  249    HA   ASN  34           HA       ASN  34   4.126  -1.070   4.111
  250    HB2  ASN  34          2HB       ASN  34   5.563  -1.728   1.532
  251    HB3  ASN  34          1HB       ASN  34   6.283  -1.188   3.037
  252   HD21  ASN  34          1HD2      ASN  34   4.934  -3.788   1.293
  253   HD22  ASN  34          2HD2      ASN  34   5.408  -5.069   2.351
  254    H    CYS  35           H        CYS  35   3.542   1.068   4.080
  255    HA   CYS  35           HA       CYS  35   3.879   2.553   1.535
  256    HB2  CYS  35          2HB       CYS  35   3.133   3.682   4.254
  257    HB3  CYS  35          1HB       CYS  35   2.924   4.438   2.686
  258    H    ARG  36           H        ARG  36   5.893   3.267   1.180
  259    HA   ARG  36           HA       ARG  36   7.529   4.106   3.399
  260    HB2  ARG  36          2HB       ARG  36   7.432   1.700   3.807
  261    HB3  ARG  36          1HB       ARG  36   8.169   1.407   2.239
  262    HG2  ARG  36          2HG       ARG  36  10.188   2.485   2.951
  263    HG3  ARG  36          1HG       ARG  36   9.451   2.923   4.497
  264    HD2  ARG  36          2HD       ARG  36   9.127   0.531   4.970
  265    HD3  ARG  36          1HD       ARG  36   9.984   0.132   3.481
  266    HE   ARG  36           HE       ARG  36  11.537   1.847   5.032
  267   HH11  ARG  36          1HH1      ARG  36  10.422  -1.538   5.049
  268   HH12  ARG  36          2HH1      ARG  36  11.746  -2.108   5.955
  269   HH21  ARG  36          1HH2      ARG  36  13.321   1.031   6.373
  270   HH22  ARG  36          2HH2      ARG  36  13.376  -0.636   6.734
  271    H    ARG  37           H        ARG  37   7.477   2.837   0.177
  272    HA   ARG  37           HA       ARG  37   9.925   3.993  -0.592
  273    HB2  ARG  37          2HB       ARG  37   9.369   3.235  -2.849
  274    HB3  ARG  37          1HB       ARG  37   8.740   2.043  -1.722
  275    HG2  ARG  37          2HG       ARG  37   6.575   2.782  -1.937
  276    HG3  ARG  37          1HG       ARG  37   7.023   4.166  -2.955
  277    HD2  ARG  37          2HD       ARG  37   7.871   2.540  -4.648
  278    HD3  ARG  37          1HD       ARG  37   7.327   1.230  -3.600
  279    HE   ARG  37           HE       ARG  37   5.382   3.197  -4.544
  280   HH11  ARG  37          1HH1      ARG  37   6.640  -0.119  -4.750
  281   HH12  ARG  37          2HH1      ARG  37   5.215  -0.744  -5.452
  282   HH21  ARG  37          1HH2      ARG  37   3.416   2.284  -5.505
  283   HH22  ARG  37          2HH2      ARG  37   3.370   0.636  -5.866
  Start of MODEL   11
    1    H1   GLY   1          1HT       GLY   1  -9.977  -0.714   6.405
    2    H2   GLY   1          2HT       GLY   1  -9.771  -1.939   5.252
    3    H3   GLY   1          3HT       GLY   1  -9.192  -0.399   4.936
    4    HA2  GLY   1          1HA       GLY   1  -7.589  -0.628   6.716
    5    HA3  GLY   1          2HA       GLY   1  -8.237  -2.237   7.031
    6    H    ILE   2           H        ILE   2  -5.540  -1.439   6.222
    7    HA   ILE   2           HA       ILE   2  -5.204  -2.115   3.516
    8    HB   ILE   2           HB       ILE   2  -2.774  -2.465   4.233
    9   HG12  ILE   2          2HG1      ILE   2  -3.883  -1.246   6.779
   10   HG13  ILE   2          1HG1      ILE   2  -3.127  -2.824   6.616
   11   HG21  ILE   2          1HG2      ILE   2  -2.393  -0.035   4.322
   12   HG22  ILE   2          2HG2      ILE   2  -4.134   0.199   4.498
   13   HG23  ILE   2          3HG2      ILE   2  -3.487  -0.541   3.040
   14   HD11  ILE   2          1HD1      ILE   2  -1.640  -1.181   7.648
   15   HD12  ILE   2          2HD1      ILE   2  -1.762  -0.178   6.194
   16   HD13  ILE   2          3HD1      ILE   2  -1.004  -1.763   6.110
   17    H    THR   3           H        THR   3  -5.230  -3.920   2.587
   18    HA   THR   3           HA       THR   3  -4.510  -6.383   3.950
   19    HB   THR   3           HB       THR   3  -7.069  -5.995   2.346
   20    HG1  THR   3          1HG       THR   3  -6.504  -5.681   5.000
   21   HG21  THR   3          1HG2      THR   3  -6.149  -8.260   2.182
   22   HG22  THR   3          2HG2      THR   3  -7.623  -8.268   3.154
   23   HG23  THR   3          3HG2      THR   3  -6.045  -8.357   3.938
   24    H    CYS   4           H        CYS   4  -3.577  -7.806   2.405
   25    HA   CYS   4           HA       CYS   4  -3.508  -6.749  -0.317
   26    HB2  CYS   4          2HB       CYS   4  -1.316  -8.203   1.145
   27    HB3  CYS   4          1HB       CYS   4  -1.281  -7.720  -0.551
   28    H    ASP   5           H        ASP   5  -4.668  -7.961  -1.526
   29    HA   ASP   5           HA       ASP   5  -4.479 -10.876  -1.161
   30    HB2  ASP   5          2HB       ASP   5  -6.800  -9.885  -1.097
   31    HB3  ASP   5          1HB       ASP   5  -6.525  -9.331  -2.752
   32    H    LEU   6           H        LEU   6  -4.069  -8.121  -3.173
   33    HA   LEU   6           HA       LEU   6  -2.751  -9.744  -5.184
   34    HB2  LEU   6          2HB       LEU   6  -3.899  -6.953  -5.263
   35    HB3  LEU   6          1HB       LEU   6  -3.023  -7.704  -6.587
   36    HG   LEU   6           HG       LEU   6  -5.687  -8.603  -5.480
   37   HD11  LEU   6          1HD1      LEU   6  -5.000  -7.197  -8.054
   38   HD12  LEU   6          2HD1      LEU   6  -5.849  -6.496  -6.677
   39   HD13  LEU   6          3HD1      LEU   6  -6.595  -7.799  -7.600
   40   HD21  LEU   6          1HD2      LEU   6  -4.112  -9.596  -7.860
   41   HD22  LEU   6          2HD2      LEU   6  -5.749 -10.089  -7.439
   42   HD23  LEU   6          3HD2      LEU   6  -4.410 -10.486  -6.364
   43    H    ILE   7           H        ILE   7  -0.855  -8.512  -6.007
   44    HA   ILE   7           HA       ILE   7   0.460  -6.938  -3.921
   45    HB   ILE   7           HB       ILE   7   1.766  -9.039  -5.687
   46   HG12  ILE   7          2HG1      ILE   7   1.142  -9.026  -2.730
   47   HG13  ILE   7          1HG1      ILE   7   0.417 -10.050  -3.944
   48   HG21  ILE   7          1HG2      ILE   7   2.929  -7.280  -3.525
   49   HG22  ILE   7          2HG2      ILE   7   3.276  -7.196  -5.255
   50   HG23  ILE   7          3HG2      ILE   7   3.776  -8.604  -4.319
   51   HD11  ILE   7          1HD1      ILE   7   3.300 -10.128  -3.110
   52   HD12  ILE   7          2HD1      ILE   7   2.550 -11.164  -4.326
   53   HD13  ILE   7          3HD1      ILE   7   2.052 -11.279  -2.634
   54    H    GLY   8           H        GLY   8   0.922  -5.008  -4.658
   55    HA2  GLY   8          2HA       GLY   8   1.739  -3.351  -6.091
   56    HA3  GLY   8          1HA       GLY   8   1.946  -4.581  -7.333
   57    H    ASN   9           H        ASN   9  -0.629  -5.560  -7.316
   58    HA   ASN   9           HA       ASN   9  -2.076  -3.500  -8.808
   59    HB2  ASN   9          2HB       ASN   9  -2.710  -6.432  -8.349
   60    HB3  ASN   9          1HB       ASN   9  -3.616  -5.362  -9.408
   61   HD21  ASN   9          1HD2      ASN   9  -0.733  -7.280  -9.038
   62   HD22  ASN   9          2HD2      ASN   9  -0.184  -7.083 -10.653
   63    H    GLU  10           H        GLU  10  -1.691  -4.316  -5.821
   64    HA   GLU  10           HA       GLU  10  -4.384  -4.375  -4.817
   65    HB2  GLU  10          2HB       GLU  10  -2.490  -5.715  -3.890
   66    HB3  GLU  10          1HB       GLU  10  -1.727  -4.217  -3.397
   67    HG2  GLU  10          2HG       GLU  10  -2.813  -5.348  -1.598
   68    HG3  GLU  10          1HG       GLU  10  -3.499  -3.749  -1.903
   69    H    ARG  11           H        ARG  11  -4.662  -2.308  -5.987
   70    HA   ARG  11           HA       ARG  11  -3.307   0.054  -5.219
   71    HB2  ARG  11          2HB       ARG  11  -4.559  -0.356  -7.385
   72    HB3  ARG  11          1HB       ARG  11  -6.035  -0.095  -6.478
   73    HG2  ARG  11          2HG       ARG  11  -5.390   1.899  -7.724
   74    HG3  ARG  11          1HG       ARG  11  -5.361   2.188  -5.983
   75    HD2  ARG  11          2HD       ARG  11  -3.410   3.146  -7.245
   76    HD3  ARG  11          1HD       ARG  11  -2.975   2.069  -5.925
   77    HE   ARG  11           HE       ARG  11  -3.143   0.549  -8.252
   78   HH11  ARG  11          1HH1      ARG  11  -1.068   3.231  -7.118
   79   HH12  ARG  11          2HH1      ARG  11   0.312   2.618  -7.860
   80   HH21  ARG  11          1HH2      ARG  11  -1.248  -0.233  -9.268
   81   HH22  ARG  11          2HH2      ARG  11   0.221   0.609  -9.148
   82    H    LEU  12           H        LEU  12  -5.975  -1.656  -3.895
   83    HA   LEU  12           HA       LEU  12  -7.135   0.393  -2.336
   84    HB2  LEU  12          2HB       LEU  12  -7.024  -2.584  -1.878
   85    HB3  LEU  12          1HB       LEU  12  -8.024  -1.481  -0.956
   86    HG   LEU  12           HG       LEU  12  -8.287  -2.038  -3.911
   87   HD11  LEU  12          1HD1      LEU  12 -10.003  -2.873  -1.579
   88   HD12  LEU  12          2HD1      LEU  12  -8.973  -3.931  -2.543
   89   HD13  LEU  12          3HD1      LEU  12 -10.372  -3.149  -3.280
   90   HD21  LEU  12          1HD2      LEU  12  -8.954   0.244  -3.370
   91   HD22  LEU  12          2HD2      LEU  12  -9.971  -0.350  -2.059
   92   HD23  LEU  12          3HD2      LEU  12 -10.370  -0.743  -3.730
   93    H    CYS  13           H        CYS  13  -4.241  -1.471  -1.965
   94    HA   CYS  13           HA       CYS  13  -3.910  -0.642   0.778
   95    HB2  CYS  13          2HB       CYS  13  -3.070  -2.810   0.310
   96    HB3  CYS  13          1HB       CYS  13  -2.207  -2.257  -1.135
   97    H    VAL  14           H        VAL  14  -2.504  -0.025  -2.388
   98    HA   VAL  14           HA       VAL  14  -0.470   1.758  -1.687
   99    HB   VAL  14           HB       VAL  14  -2.094   1.886  -4.220
  100   HG11  VAL  14          1HG1      VAL  14   0.766   2.660  -3.670
  101   HG12  VAL  14          2HG1      VAL  14  -0.581   3.755  -3.976
  102   HG13  VAL  14          3HG1      VAL  14  -0.006   2.684  -5.257
  103   HG21  VAL  14          1HG2      VAL  14  -0.485   0.296  -5.202
  104   HG22  VAL  14          2HG2      VAL  14  -1.411  -0.417  -3.884
  105   HG23  VAL  14          3HG2      VAL  14   0.258   0.091  -3.615
  106    H    VAL  15           H        VAL  15  -3.898   2.355  -2.262
  107    HA   VAL  15           HA       VAL  15  -3.758   5.152  -2.382
  108    HB   VAL  15           HB       VAL  15  -5.691   3.810  -3.158
  109   HG11  VAL  15          1HG1      VAL  15  -7.429   3.125  -1.605
  110   HG12  VAL  15          2HG1      VAL  15  -6.379   3.570  -0.259
  111   HG13  VAL  15          3HG1      VAL  15  -5.912   2.260  -1.344
  112   HG21  VAL  15          1HG2      VAL  15  -5.942   6.188  -2.904
  113   HG22  VAL  15          2HG2      VAL  15  -6.365   5.991  -1.204
  114   HG23  VAL  15          3HG2      VAL  15  -7.447   5.380  -2.459
  115    H    HIS  16           H        HIS  16  -3.673   3.001   0.316
  116    HA   HIS  16           HA       HIS  16  -4.375   4.906   2.324
  117    HB2  HIS  16          2HB       HIS  16  -4.544   2.549   2.851
  118    HB3  HIS  16          1HB       HIS  16  -2.872   2.281   2.401
  119    HD1  HIS  16          1HD       HIS  16  -4.825   4.158   5.111
  120    HD2  HIS  16          2HD       HIS  16  -1.173   2.305   4.430
  121    HE1  HIS  16          1HE       HIS  16  -3.619   4.138   7.325
  122    H    CYS  17           H        CYS  17  -1.445   3.839   0.825
  123    HA   CYS  17           HA       CYS  17   0.406   5.371   2.328
  124    HB2  CYS  17          2HB       CYS  17   0.603   4.442  -0.528
  125    HB3  CYS  17          1HB       CYS  17   1.929   4.752   0.593
  126    H    LEU  18           H        LEU  18  -1.421   5.920  -0.633
  127    HA   LEU  18           HA       LEU  18  -0.344   8.491  -1.187
  128    HB2  LEU  18          2HB       LEU  18  -3.029   7.355  -1.970
  129    HB3  LEU  18          1HB       LEU  18  -2.282   8.772  -2.672
  130    HG   LEU  18           HG       LEU  18  -1.262   5.940  -2.899
  131   HD11  LEU  18          1HD1      LEU  18  -3.279   6.337  -4.197
  132   HD12  LEU  18          2HD1      LEU  18  -1.878   6.147  -5.247
  133   HD13  LEU  18          3HD1      LEU  18  -2.535   7.755  -4.937
  134   HD21  LEU  18          1HD2      LEU  18   0.359   6.874  -4.495
  135   HD22  LEU  18          2HD2      LEU  18   0.583   7.538  -2.880
  136   HD23  LEU  18          3HD2      LEU  18  -0.217   8.500  -4.124
  137    H    ALA  19           H        ALA  19  -2.997   7.357   0.785
  138    HA   ALA  19           HA       ALA  19  -4.163   9.849   1.369
  139    HB1  ALA  19          1HB       ALA  19  -4.140   7.347   3.054
  140    HB2  ALA  19          2HB       ALA  19  -5.297   7.709   1.773
  141    HB3  ALA  19          3HB       ALA  19  -5.245   8.710   3.225
  142    H    LYS  20           H        LYS  20  -1.725   7.942   3.098
  143    HA   LYS  20           HA       LYS  20  -1.356   9.855   5.159
  144    HB2  LYS  20          2HB       LYS  20   0.428   7.653   4.163
  145    HB3  LYS  20          1HB       LYS  20   0.891   8.703   5.493
  146    HG2  LYS  20          2HG       LYS  20  -1.113   7.938   6.725
  147    HG3  LYS  20          1HG       LYS  20  -1.461   6.825   5.396
  148    HD2  LYS  20          2HD       LYS  20   0.565   5.639   5.759
  149    HD3  LYS  20          1HD       LYS  20   1.140   6.838   6.930
  150    HE2  LYS  20          2HE       LYS  20  -0.745   6.205   8.390
  151    HE3  LYS  20          1HE       LYS  20  -1.209   4.978   7.212
  152    HZ1  LYS  20          1HZ       LYS  20   1.010   3.956   7.544
  153    HZ2  LYS  20          2HZ       LYS  20   0.068   3.967   8.920
  154    HZ3  LYS  20          3HZ       LYS  20   1.321   5.067   8.774
  155    H    GLY  21           H        GLY  21   0.184   9.441   2.061
  156    HA2  GLY  21          2HA       GLY  21   0.908  11.568   1.002
  157    HA3  GLY  21          1HA       GLY  21   1.627  11.978   2.558
  158    H    PHE  22           H        PHE  22   1.643   8.928   0.857
  159    HA   PHE  22           HA       PHE  22   4.555   9.002   0.825
  160    HB2  PHE  22          2HB       PHE  22   2.553   6.798   0.980
  161    HB3  PHE  22          1HB       PHE  22   4.133   6.393   0.338
  162    HD1  PHE  22          1HD       PHE  22   6.099   6.783   1.662
  163    HD2  PHE  22          2HD       PHE  22   2.199   7.150   3.256
  164    HE1  PHE  22          1HE       PHE  22   7.022   6.614   3.795
  165    HE2  PHE  22          2HE       PHE  22   3.113   6.970   5.530
  166    HZ   PHE  22           HZ       PHE  22   5.545   6.707   5.846
  167    H    ARG  23           H        ARG  23   5.562   8.001  -0.993
  168    HA   ARG  23           HA       ARG  23   4.335   8.944  -3.428
  169    HB2  ARG  23          2HB       ARG  23   7.025   7.609  -3.025
  170    HB3  ARG  23          1HB       ARG  23   6.447   8.332  -4.511
  171    HG2  ARG  23          2HG       ARG  23   7.078   9.761  -1.945
  172    HG3  ARG  23          1HG       ARG  23   7.981   9.830  -3.460
  173    HD2  ARG  23          2HD       ARG  23   5.895  10.753  -4.529
  174    HD3  ARG  23          1HD       ARG  23   5.219  10.873  -2.908
  175    HE   ARG  23           HE       ARG  23   7.777  12.130  -3.297
  176   HH11  ARG  23          1HH1      ARG  23   4.262  12.588  -3.048
  177   HH12  ARG  23          2HH1      ARG  23   4.360  14.281  -2.968
  178   HH21  ARG  23          1HH2      ARG  23   7.894  14.448  -3.267
  179   HH22  ARG  23          2HH2      ARG  23   6.462  15.366  -3.099
  180    H    GLY  24           H        GLY  24   4.496   6.144  -1.573
  181    HA2  GLY  24          2HA       GLY  24   2.647   4.826  -3.064
  182    HA3  GLY  24          1HA       GLY  24   4.198   4.351  -3.735
  183    H    GLY  25           H        GLY  25   2.584   2.563  -2.785
  184    HA2  GLY  25          2HA       GLY  25   3.924   1.566  -0.453
  185    HA3  GLY  25          1HA       GLY  25   2.167   1.736  -0.420
  186    H    TRP  26           H        TRP  26   3.567  -0.693  -0.293
  187    HA   TRP  26           HA       TRP  26   2.407  -2.013  -2.561
  188    HB2  TRP  26          2HB       TRP  26   4.436  -3.007  -3.376
  189    HB3  TRP  26          1HB       TRP  26   4.705  -1.272  -3.331
  190    HD1  TRP  26           HD       TRP  26   6.287  -4.445  -2.365
  191    HE1  TRP  26          1HE       TRP  26   8.256  -4.054  -0.761
  192    HE3  TRP  26          3HE       TRP  26   5.417   0.410  -1.101
  193    HZ2  TRP  26          2HZ       TRP  26   9.269  -2.049   0.841
  194    HZ3  TRP  26          3HZ       TRP  26   6.901   1.503   0.489
  195    HH2  TRP  26           HH       TRP  26   8.847   0.248   1.455
  196    H    CYS  27           H        CYS  27   2.309  -4.233  -2.190
  197    HA   CYS  27           HA       CYS  27   2.482  -4.996   0.584
  198    HB2  CYS  27          2HB       CYS  27   1.557  -6.511  -1.853
  199    HB3  CYS  27          1HB       CYS  27   1.317  -6.981  -0.171
  200    H    ASP  28           H        ASP  28   4.214  -6.064   1.319
  201    HA   ASP  28           HA       ASP  28   6.122  -6.969  -0.659
  202    HB2  ASP  28          2HB       ASP  28   7.720  -7.325   1.130
  203    HB3  ASP  28          1HB       ASP  28   6.910  -5.810   1.449
  204    H    SER  29           H        SER  29   7.184  -9.273   0.152
  205    HA   SER  29           HA       SER  29   5.300 -11.098  -0.773
  206    HB2  SER  29          2HB       SER  29   7.934 -11.619   0.591
  207    HB3  SER  29          1HB       SER  29   7.032 -12.774  -0.397
  208    HG   SER  29           HG       SER  29   7.123 -10.837  -1.954
  209    H    ARG  30           H        ARG  30   5.688 -10.000   2.455
  210    HA   ARG  30           HA       ARG  30   4.497 -12.391   3.650
  211    HB2  ARG  30          2HB       ARG  30   5.158  -9.702   4.842
  212    HB3  ARG  30          1HB       ARG  30   4.682 -11.136   5.735
  213    HG2  ARG  30          2HG       ARG  30   6.734 -12.215   5.265
  214    HG3  ARG  30          1HG       ARG  30   7.146 -11.016   4.031
  215    HD2  ARG  30          2HD       ARG  30   6.867 -10.496   6.985
  216    HD3  ARG  30          1HD       ARG  30   8.386 -10.575   6.081
  217    HE   ARG  30           HE       ARG  30   6.876  -8.728   4.766
  218   HH11  ARG  30          1HH1      ARG  30   8.203  -8.992   8.026
  219   HH12  ARG  30          2HH1      ARG  30   8.166  -7.324   8.344
  220   HH21  ARG  30          1HH2      ARG  30   6.810  -6.504   5.147
  221   HH22  ARG  30          2HH2      ARG  30   7.385  -5.809   6.613
  222    H    LYS  31           H        LYS  31   3.324 -10.021   1.778
  223    HA   LYS  31           HA       LYS  31   1.301  -9.160   1.305
  224    HB2  LYS  31          2HB       LYS  31   0.339 -11.007   3.496
  225    HB3  LYS  31          1HB       LYS  31  -0.746 -10.000   2.553
  226    HG2  LYS  31          2HG       LYS  31   1.068 -12.119   1.412
  227    HG3  LYS  31          1HG       LYS  31  -0.641 -12.338   1.792
  228    HD2  LYS  31          2HD       LYS  31  -1.212 -10.552   0.199
  229    HD3  LYS  31          1HD       LYS  31   0.496 -10.377  -0.204
  230    HE2  LYS  31          2HE       LYS  31  -0.701 -11.723  -1.853
  231    HE3  LYS  31          1HE       LYS  31   0.554 -12.654  -1.050
  232    HZ1  LYS  31          1HZ       LYS  31  -2.364 -12.785  -0.434
  233    HZ2  LYS  31          2HZ       LYS  31  -1.177 -13.684   0.342
  234    HZ3  LYS  31          3HZ       LYS  31  -1.482 -13.919  -1.280
  235    H    VAL  32           H        VAL  32   3.105  -8.160   3.443
  236    HA   VAL  32           HA       VAL  32   1.313  -6.594   5.113
  237    HB   VAL  32           HB       VAL  32   4.352  -6.647   4.942
  238   HG11  VAL  32          1HG1      VAL  32   2.582  -5.297   6.982
  239   HG12  VAL  32          2HG1      VAL  32   3.555  -4.485   5.759
  240   HG13  VAL  32          3HG1      VAL  32   4.341  -5.397   7.049
  241   HG21  VAL  32          1HG2      VAL  32   3.423  -8.736   5.793
  242   HG22  VAL  32          2HG2      VAL  32   2.498  -7.845   7.001
  243   HG23  VAL  32          3HG2      VAL  32   4.259  -7.853   7.070
  244    H    CYS  33           H        CYS  33   0.746  -4.622   4.743
  245    HA   CYS  33           HA       CYS  33   1.432  -3.323   2.293
  246    HB2  CYS  33          2HB       CYS  33  -0.404  -2.754   4.571
  247    HB3  CYS  33          1HB       CYS  33   0.053  -1.444   3.487
  248    H    ASN  34           H        ASN  34   3.216  -2.204   2.052
  249    HA   ASN  34           HA       ASN  34   4.256  -0.780   4.400
  250    HB2  ASN  34          2HB       ASN  34   5.802  -1.730   1.976
  251    HB3  ASN  34          1HB       ASN  34   6.466  -0.907   3.376
  252   HD21  ASN  34          1HD2      ASN  34   5.292  -3.835   2.092
  253   HD22  ASN  34          2HD2      ASN  34   5.781  -4.890   3.361
  254    H    CYS  35           H        CYS  35   4.158   1.355   4.167
  255    HA   CYS  35           HA       CYS  35   4.090   2.479   1.433
  256    HB2  CYS  35          2HB       CYS  35   3.253   3.825   4.015
  257    HB3  CYS  35          1HB       CYS  35   2.996   4.404   2.378
  258    H    ARG  36           H        ARG  36   5.870   3.561   0.857
  259    HA   ARG  36           HA       ARG  36   7.662   4.821   2.653
  260    HB2  ARG  36          2HB       ARG  36   7.750   2.481   3.510
  261    HB3  ARG  36          1HB       ARG  36   8.396   2.006   1.954
  262    HG2  ARG  36          2HG       ARG  36  10.318   3.508   2.383
  263    HG3  ARG  36          1HG       ARG  36   9.687   3.752   4.020
  264    HD2  ARG  36          2HD       ARG  36  10.534   1.146   2.763
  265    HD3  ARG  36          1HD       ARG  36  11.335   1.982   4.093
  266    HE   ARG  36           HE       ARG  36   9.099   1.591   5.270
  267   HH11  ARG  36          1HH1      ARG  36  10.628  -0.733   3.062
  268   HH12  ARG  36          2HH1      ARG  36   9.863  -2.099   3.741
  269   HH21  ARG  36          1HH2      ARG  36   8.038  -0.339   6.190
  270   HH22  ARG  36          2HH2      ARG  36   8.360  -1.869   5.522
  271    H    ARG  37           H        ARG  37   7.091   3.045  -0.347
  272    HA   ARG  37           HA       ARG  37   9.383   4.393  -1.499
  273    HB2  ARG  37          2HB       ARG  37   8.326   1.628  -2.157
  274    HB3  ARG  37          1HB       ARG  37   9.595   2.451  -3.056
  275    HG2  ARG  37          2HG       ARG  37  10.866   2.535  -0.871
  276    HG3  ARG  37          1HG       ARG  37   9.598   1.473  -0.248
  277    HD2  ARG  37          2HD       ARG  37  11.524   0.148  -0.996
  278    HD3  ARG  37          1HD       ARG  37  10.108  -0.174  -1.998
  279    HE   ARG  37           HE       ARG  37  11.789   1.897  -3.006
  280   HH11  ARG  37          1HH1      ARG  37  11.358  -1.650  -2.973
  281   HH12  ARG  37          2HH1      ARG  37  12.143  -1.880  -4.469
  282   HH21  ARG  37          1HH2      ARG  37  12.908   1.513  -5.041
  283   HH22  ARG  37          2HH2      ARG  37  13.048  -0.079  -5.637
  Start of MODEL   12
    1    H1   GLY   1          1HT       GLY   1 -10.533  -0.234   5.135
    2    H2   GLY   1          2HT       GLY   1 -10.265  -1.545   4.078
    3    H3   GLY   1          3HT       GLY   1  -9.648  -0.027   3.711
    4    HA2  GLY   1          1HA       GLY   1  -8.192  -0.112   5.609
    5    HA3  GLY   1          2HA       GLY   1  -8.856  -1.692   6.002
    6    H    ILE   2           H        ILE   2  -6.103  -1.388   5.563
    7    HA   ILE   2           HA       ILE   2  -5.431  -1.877   2.913
    8    HB   ILE   2           HB       ILE   2  -3.250  -2.647   3.877
    9   HG12  ILE   2          2HG1      ILE   2  -4.558  -1.842   6.495
   10   HG13  ILE   2          1HG1      ILE   2  -4.072  -3.469   6.043
   11   HG21  ILE   2          1HG2      ILE   2  -4.288   0.026   4.773
   12   HG22  ILE   2          2HG2      ILE   2  -3.673  -0.358   3.170
   13   HG23  ILE   2          3HG2      ILE   2  -2.594  -0.409   4.565
   14   HD11  ILE   2          1HD1      ILE   2  -2.493  -2.415   7.576
   15   HD12  ILE   2          2HD1      ILE   2  -2.223  -1.131   6.383
   16   HD13  ILE   2          3HD1      ILE   2  -1.759  -2.791   6.016
   17    H    THR   3           H        THR   3  -5.530  -3.560   1.783
   18    HA   THR   3           HA       THR   3  -5.961  -6.183   2.996
   19    HB   THR   3           HB       THR   3  -7.017  -4.940   0.474
   20    HG1  THR   3          1HG       THR   3  -7.971  -4.269   2.551
   21   HG21  THR   3          1HG2      THR   3  -7.605  -7.656   1.686
   22   HG22  THR   3          2HG2      THR   3  -6.710  -7.351   0.199
   23   HG23  THR   3          3HG2      THR   3  -8.432  -6.982   0.283
   24    H    CYS   4           H        CYS   4  -4.621  -7.756   1.951
   25    HA   CYS   4           HA       CYS   4  -3.170  -6.730  -0.337
   26    HB2  CYS   4          2HB       CYS   4  -1.931  -8.496   1.771
   27    HB3  CYS   4          1HB       CYS   4  -1.203  -7.884   0.272
   28    H    ASP   5           H        ASP   5  -4.681  -7.664  -1.551
   29    HA   ASP   5           HA       ASP   5  -4.763 -10.585  -1.543
   30    HB2  ASP   5          2HB       ASP   5  -6.888  -9.257  -1.793
   31    HB3  ASP   5          1HB       ASP   5  -6.229  -8.595  -3.286
   32    H    LEU   6           H        LEU   6  -3.676  -7.726  -3.169
   33    HA   LEU   6           HA       LEU   6  -2.171  -9.359  -5.024
   34    HB2  LEU   6          2HB       LEU   6  -2.929  -6.449  -5.086
   35    HB3  LEU   6          1HB       LEU   6  -1.942  -7.262  -6.289
   36    HG   LEU   6           HG       LEU   6  -4.834  -7.856  -5.686
   37   HD11  LEU   6          1HD1      LEU   6  -5.255  -6.877  -7.878
   38   HD12  LEU   6          2HD1      LEU   6  -3.547  -6.455  -8.015
   39   HD13  LEU   6          3HD1      LEU   6  -4.542  -5.708  -6.769
   40   HD21  LEU   6          1HD2      LEU   6  -4.700  -9.222  -7.743
   41   HD22  LEU   6          2HD2      LEU   6  -3.721  -9.847  -6.422
   42   HD23  LEU   6          3HD2      LEU   6  -2.951  -8.982  -7.754
   43    H    ILE   7           H        ILE   7  -0.120  -8.998  -5.148
   44    HA   ILE   7           HA       ILE   7   1.311  -7.569  -3.031
   45    HB   ILE   7           HB       ILE   7   2.246  -9.704  -4.997
   46   HG12  ILE   7          2HG1      ILE   7   1.770  -9.904  -2.011
   47   HG13  ILE   7          1HG1      ILE   7   0.720 -10.563  -3.257
   48   HG21  ILE   7          1HG2      ILE   7   3.767  -8.450  -2.711
   49   HG22  ILE   7          2HG2      ILE   7   4.072  -8.192  -4.426
   50   HG23  ILE   7          3HG2      ILE   7   4.334  -9.786  -3.716
   51   HD11  ILE   7          1HD1      ILE   7   3.562 -11.399  -2.718
   52   HD12  ILE   7          2HD1      ILE   7   2.503 -12.076  -3.956
   53   HD13  ILE   7          3HD1      ILE   7   2.110 -12.286  -2.249
   54    H    GLY   8           H        GLY   8   2.376  -5.752  -3.624
   55    HA2  GLY   8          2HA       GLY   8   3.440  -4.165  -4.994
   56    HA3  GLY   8          1HA       GLY   8   3.316  -5.307  -6.309
   57    H    ASN   9           H        ASN   9   0.597  -5.636  -6.451
   58    HA   ASN   9           HA       ASN   9  -0.132  -3.169  -7.907
   59    HB2  ASN   9          2HB       ASN   9  -1.097  -6.011  -8.017
   60    HB3  ASN   9          1HB       ASN   9  -1.904  -4.715  -8.872
   61   HD21  ASN   9          1HD2      ASN   9   0.978  -6.691  -8.739
   62   HD22  ASN   9          2HD2      ASN   9   1.567  -6.233 -10.287
   63    H    GLU  10           H        GLU  10  -0.421  -3.672  -5.030
   64    HA   GLU  10           HA       GLU  10  -3.238  -4.045  -4.824
   65    HB2  GLU  10          2HB       GLU  10  -1.902  -5.432  -3.474
   66    HB3  GLU  10          1HB       GLU  10  -1.131  -4.089  -2.676
   67    HG2  GLU  10          2HG       GLU  10  -2.822  -4.936  -1.296
   68    HG3  GLU  10          1HG       GLU  10  -3.328  -3.361  -1.968
   69    H    ARG  11           H        ARG  11  -3.736  -2.243  -5.678
   70    HA   ARG  11           HA       ARG  11  -3.196   0.378  -4.924
   71    HB2  ARG  11          2HB       ARG  11  -4.414  -0.252  -6.947
   72    HB3  ARG  11          1HB       ARG  11  -5.793  -0.702  -5.968
   73    HG2  ARG  11          2HG       ARG  11  -6.237   1.539  -5.365
   74    HG3  ARG  11          1HG       ARG  11  -4.686   2.091  -6.008
   75    HD2  ARG  11          2HD       ARG  11  -6.896   0.861  -7.634
   76    HD3  ARG  11          1HD       ARG  11  -6.580   2.595  -7.515
   77    HE   ARG  11           HE       ARG  11  -4.211   1.658  -8.270
   78   HH11  ARG  11          1HH1      ARG  11  -7.406   0.988  -9.595
   79   HH12  ARG  11          2HH1      ARG  11  -6.886   0.816 -11.196
   80   HH21  ARG  11          1HH2      ARG  11  -3.450   1.412 -10.495
   81   HH22  ARG  11          2HH2      ARG  11  -4.573   1.067 -11.715
   82    H    LEU  12           H        LEU  12  -5.298  -1.914  -3.359
   83    HA   LEU  12           HA       LEU  12  -6.726  -0.109  -1.696
   84    HB2  LEU  12          2HB       LEU  12  -5.977  -2.990  -1.194
   85    HB3  LEU  12          1HB       LEU  12  -7.143  -2.081  -0.256
   86    HG   LEU  12           HG       LEU  12  -7.419  -2.793  -3.177
   87   HD11  LEU  12          1HD1      LEU  12  -9.200  -4.268  -2.399
   88   HD12  LEU  12          2HD1      LEU  12  -8.779  -3.890  -0.727
   89   HD13  LEU  12          3HD1      LEU  12  -7.625  -4.736  -1.763
   90   HD21  LEU  12          1HD2      LEU  12  -8.534  -0.691  -2.658
   91   HD22  LEU  12          2HD2      LEU  12  -9.336  -1.440  -1.279
   92   HD23  LEU  12          3HD2      LEU  12  -9.717  -1.973  -2.917
   93    H    CYS  13           H        CYS  13  -3.557  -1.405  -1.573
   94    HA   CYS  13           HA       CYS  13  -3.049  -0.510   1.128
   95    HB2  CYS  13          2HB       CYS  13  -1.991  -2.546   0.444
   96    HB3  CYS  13          1HB       CYS  13  -1.382  -1.815  -1.025
   97    H    VAL  14           H        VAL  14  -2.174   0.265  -2.194
   98    HA   VAL  14           HA       VAL  14  -0.392   2.344  -1.888
   99    HB   VAL  14           HB       VAL  14  -2.560   2.223  -3.984
  100   HG11  VAL  14          1HG1      VAL  14  -1.000   3.475  -5.382
  101   HG12  VAL  14          2HG1      VAL  14   0.148   3.535  -4.042
  102   HG13  VAL  14          3HG1      VAL  14  -1.403   4.357  -3.907
  103   HG21  VAL  14          1HG2      VAL  14  -0.911   1.011  -5.350
  104   HG22  VAL  14          2HG2      VAL  14  -1.367   0.116  -3.895
  105   HG23  VAL  14          3HG2      VAL  14   0.174   0.961  -3.959
  106    H    VAL  15           H        VAL  15  -3.928   2.549  -1.973
  107    HA   VAL  15           HA       VAL  15  -4.036   5.350  -1.855
  108    HB   VAL  15           HB       VAL  15  -5.858   3.916  -2.666
  109   HG11  VAL  15          1HG1      VAL  15  -6.343   3.269   0.206
  110   HG12  VAL  15          2HG1      VAL  15  -5.841   2.156  -1.069
  111   HG13  VAL  15          3HG1      VAL  15  -7.447   2.893  -1.117
  112   HG21  VAL  15          1HG2      VAL  15  -6.343   6.229  -2.134
  113   HG22  VAL  15          2HG2      VAL  15  -6.683   5.782  -0.460
  114   HG23  VAL  15          3HG2      VAL  15  -7.733   5.210  -1.755
  115    H    HIS  16           H        HIS  16  -3.593   3.005   0.636
  116    HA   HIS  16           HA       HIS  16  -4.294   4.729   2.834
  117    HB2  HIS  16          2HB       HIS  16  -4.385   2.322   3.210
  118    HB3  HIS  16          1HB       HIS  16  -2.730   2.125   2.679
  119    HD1  HIS  16          1HD       HIS  16  -4.634   3.722   5.601
  120    HD2  HIS  16          2HD       HIS  16  -0.941   2.069   4.637
  121    HE1  HIS  16          1HE       HIS  16  -3.318   3.638   7.745
  122    H    CYS  17           H        CYS  17  -1.415   3.761   1.151
  123    HA   CYS  17           HA       CYS  17   0.465   5.270   2.652
  124    HB2  CYS  17          2HB       CYS  17   0.558   4.330  -0.203
  125    HB3  CYS  17          1HB       CYS  17   1.931   4.795   0.805
  126    H    LEU  18           H        LEU  18  -1.534   6.002  -0.156
  127    HA   LEU  18           HA       LEU  18  -0.379   8.559  -0.608
  128    HB2  LEU  18          2HB       LEU  18  -3.150   7.562  -1.300
  129    HB3  LEU  18          1HB       LEU  18  -2.397   9.003  -1.951
  130    HG   LEU  18           HG       LEU  18  -1.466   6.168  -2.420
  131   HD11  LEU  18          1HD1      LEU  18  -2.836   8.102  -4.270
  132   HD12  LEU  18          2HD1      LEU  18  -3.558   6.661  -3.561
  133   HD13  LEU  18          3HD1      LEU  18  -2.225   6.509  -4.707
  134   HD21  LEU  18          1HD2      LEU  18   0.403   7.726  -2.445
  135   HD22  LEU  18          2HD2      LEU  18  -0.470   8.775  -3.561
  136   HD23  LEU  18          3HD2      LEU  18   0.041   7.170  -4.078
  137    H    ALA  19           H        ALA  19  -2.987   7.361   1.426
  138    HA   ALA  19           HA       ALA  19  -3.925   9.870   2.310
  139    HB1  ALA  19          1HB       ALA  19  -3.992   7.233   3.783
  140    HB2  ALA  19          2HB       ALA  19  -5.180   7.757   2.597
  141    HB3  ALA  19          3HB       ALA  19  -5.007   8.637   4.116
  142    H    LYS  20           H        LYS  20  -1.391   7.746   3.470
  143    HA   LYS  20           HA       LYS  20  -0.777   9.333   5.746
  144    HB2  LYS  20          2HB       LYS  20   0.728   7.152   4.341
  145    HB3  LYS  20          1HB       LYS  20   1.434   8.027   5.694
  146    HG2  LYS  20          2HG       LYS  20  -0.469   7.329   7.097
  147    HG3  LYS  20          1HG       LYS  20  -1.105   6.411   5.735
  148    HD2  LYS  20          2HD       LYS  20   0.709   4.910   5.756
  149    HD3  LYS  20          1HD       LYS  20   1.663   5.940   6.839
  150    HE2  LYS  20          2HE       LYS  20   0.060   5.518   8.621
  151    HE3  LYS  20          1HE       LYS  20  -0.918   4.542   7.530
  152    HZ1  LYS  20          1HZ       LYS  20   0.469   3.189   8.972
  153    HZ2  LYS  20          2HZ       LYS  20   1.864   3.910   8.361
  154    HZ3  LYS  20          3HZ       LYS  20   0.888   2.968   7.363
  155    H    GLY  21           H        GLY  21   0.453   9.274   2.486
  156    HA2  GLY  21          2HA       GLY  21   1.175  11.493   1.629
  157    HA3  GLY  21          1HA       GLY  21   2.051  11.678   3.146
  158    H    PHE  22           H        PHE  22   1.717   9.101   0.792
  159    HA   PHE  22           HA       PHE  22   4.623   8.917   0.655
  160    HB2  PHE  22          2HB       PHE  22   2.554   6.879   1.112
  161    HB3  PHE  22          1HB       PHE  22   3.907   6.329   0.160
  162    HD1  PHE  22          1HD       PHE  22   6.149   6.680   1.042
  163    HD2  PHE  22          2HD       PHE  22   2.670   7.070   3.403
  164    HE1  PHE  22          1HE       PHE  22   7.481   6.349   2.938
  165    HE2  PHE  22          2HE       PHE  22   4.005   6.738   5.438
  166    HZ   PHE  22           HZ       PHE  22   6.440   6.378   5.249
  167    H    ARG  23           H        ARG  23   5.432   7.950  -1.306
  168    HA   ARG  23           HA       ARG  23   4.261   8.948  -3.668
  169    HB2  ARG  23          2HB       ARG  23   6.238   6.667  -3.408
  170    HB3  ARG  23          1HB       ARG  23   5.863   7.527  -4.889
  171    HG2  ARG  23          2HG       ARG  23   6.811   9.565  -3.937
  172    HG3  ARG  23          1HG       ARG  23   7.183   8.686  -2.455
  173    HD2  ARG  23          2HD       ARG  23   8.536   7.107  -3.836
  174    HD3  ARG  23          1HD       ARG  23   8.308   8.204  -5.198
  175    HE   ARG  23           HE       ARG  23   9.237   9.750  -3.151
  176   HH11  ARG  23          1HH1      ARG  23  10.461   7.015  -5.023
  177   HH12  ARG  23          2HH1      ARG  23  12.093   7.298  -4.660
  178   HH21  ARG  23          1HH2      ARG  23  11.463  10.193  -2.692
  179   HH22  ARG  23          2HH2      ARG  23  12.691   9.178  -3.310
  180    H    GLY  24           H        GLY  24   3.970   6.013  -1.861
  181    HA2  GLY  24          2HA       GLY  24   1.548   5.224  -2.736
  182    HA3  GLY  24          1HA       GLY  24   2.667   4.549  -3.924
  183    H    GLY  25           H        GLY  25   1.732   2.538  -2.968
  184    HA2  GLY  25          2HA       GLY  25   3.488   1.671  -0.862
  185    HA3  GLY  25          1HA       GLY  25   1.764   1.616  -0.520
  186    H    TRP  26           H        TRP  26   3.150  -0.648  -0.455
  187    HA   TRP  26           HA       TRP  26   1.938  -2.093  -2.606
  188    HB2  TRP  26          2HB       TRP  26   3.918  -3.120  -3.476
  189    HB3  TRP  26          1HB       TRP  26   4.202  -1.386  -3.520
  190    HD1  TRP  26           HD       TRP  26   5.816  -4.535  -2.593
  191    HE1  TRP  26          1HE       TRP  26   7.901  -4.137  -1.103
  192    HE3  TRP  26          3HE       TRP  26   5.037   0.329  -1.330
  193    HZ2  TRP  26          2HZ       TRP  26   9.037  -2.082   0.369
  194    HZ3  TRP  26          3HZ       TRP  26   6.648   1.453   0.137
  195    HH2  TRP  26           HH       TRP  26   8.629   0.259   0.976
  196    H    CYS  27           H        CYS  27   1.245  -3.957  -1.818
  197    HA   CYS  27           HA       CYS  27   2.138  -4.835   0.748
  198    HB2  CYS  27          2HB       CYS  27   0.327  -6.090  -1.314
  199    HB3  CYS  27          1HB       CYS  27   0.700  -6.819   0.249
  200    H    ASP  28           H        ASP  28   3.746  -6.143   1.093
  201    HA   ASP  28           HA       ASP  28   5.218  -7.039  -1.279
  202    HB2  ASP  28          2HB       ASP  28   7.152  -7.253   0.104
  203    HB3  ASP  28          1HB       ASP  28   6.349  -5.788   0.641
  204    H    SER  29           H        SER  29   6.573  -9.199  -0.389
  205    HA   SER  29           HA       SER  29   4.824 -11.302  -0.851
  206    HB2  SER  29          2HB       SER  29   7.569 -11.349   0.371
  207    HB3  SER  29          1HB       SER  29   6.756 -12.676  -0.472
  208    HG   SER  29           HG       SER  29   6.969 -11.677  -2.334
  209    H    ARG  30           H        ARG  30   5.806  -9.791   2.173
  210    HA   ARG  30           HA       ARG  30   4.997 -11.939   3.891
  211    HB2  ARG  30          2HB       ARG  30   5.418  -9.005   4.424
  212    HB3  ARG  30          1HB       ARG  30   5.120 -10.210   5.660
  213    HG2  ARG  30          2HG       ARG  30   7.219 -11.286   5.169
  214    HG3  ARG  30          1HG       ARG  30   7.491 -10.186   3.811
  215    HD2  ARG  30          2HD       ARG  30   8.734  -9.489   5.817
  216    HD3  ARG  30          1HD       ARG  30   7.549  -8.290   5.317
  217    HE   ARG  30           HE       ARG  30   6.662 -10.176   7.323
  218   HH11  ARG  30          1HH1      ARG  30   7.906  -6.892   6.743
  219   HH12  ARG  30          2HH1      ARG  30   7.543  -6.344   8.307
  220   HH21  ARG  30          1HH2      ARG  30   6.115  -9.409   9.376
  221   HH22  ARG  30          2HH2      ARG  30   6.474  -7.811   9.864
  222    H    LYS  31           H        LYS  31   3.250  -9.858   1.953
  223    HA   LYS  31           HA       LYS  31   1.117  -9.234   1.748
  224    HB2  LYS  31          2HB       LYS  31   0.653 -11.225   3.987
  225    HB3  LYS  31          1HB       LYS  31  -0.656 -10.326   3.239
  226    HG2  LYS  31          2HG       LYS  31   1.205 -12.211   1.794
  227    HG3  LYS  31          1HG       LYS  31  -0.425 -12.607   2.334
  228    HD2  LYS  31          2HD       LYS  31  -1.297 -10.773   0.900
  229    HD3  LYS  31          1HD       LYS  31   0.339 -10.500   0.306
  230    HE2  LYS  31          2HE       LYS  31  -0.892 -11.852  -1.276
  231    HE3  LYS  31          1HE       LYS  31   0.397 -12.802  -0.545
  232    HZ1  LYS  31          1HZ       LYS  31  -1.601 -14.073  -0.684
  233    HZ2  LYS  31          2HZ       LYS  31  -2.498 -12.945   0.174
  234    HZ3  LYS  31          3HZ       LYS  31  -1.248 -13.808   0.929
  235    H    VAL  32           H        VAL  32   3.009  -7.902   3.398
  236    HA   VAL  32           HA       VAL  32   1.302  -6.502   5.298
  237    HB   VAL  32           HB       VAL  32   4.304  -6.360   4.815
  238   HG11  VAL  32          1HG1      VAL  32   2.679  -5.030   6.984
  239   HG12  VAL  32          2HG1      VAL  32   3.437  -4.213   5.618
  240   HG13  VAL  32          3HG1      VAL  32   4.437  -5.004   6.838
  241   HG21  VAL  32          1HG2      VAL  32   3.620  -8.450   5.855
  242   HG22  VAL  32          2HG2      VAL  32   2.760  -7.555   7.110
  243   HG23  VAL  32          3HG2      VAL  32   4.517  -7.447   6.995
  244    H    CYS  33           H        CYS  33   0.659  -4.457   4.875
  245    HA   CYS  33           HA       CYS  33   1.112  -3.318   2.270
  246    HB2  CYS  33          2HB       CYS  33  -1.125  -2.986   3.536
  247    HB3  CYS  33          1HB       CYS  33  -0.191  -2.105   4.718
  248    H    ASN  34           H        ASN  34   2.976  -2.271   1.851
  249    HA   ASN  34           HA       ASN  34   4.345  -0.894   4.073
  250    HB2  ASN  34          2HB       ASN  34   5.590  -1.879   1.495
  251    HB3  ASN  34          1HB       ASN  34   6.429  -1.212   2.883
  252   HD21  ASN  34          1HD2      ASN  34   4.952  -3.909   1.492
  253   HD22  ASN  34          2HD2      ASN  34   5.409  -5.108   2.645
  254    H    CYS  35           H        CYS  35   4.975   1.218   3.674
  255    HA   CYS  35           HA       CYS  35   3.971   2.330   1.147
  256    HB2  CYS  35          2HB       CYS  35   4.072   3.642   3.861
  257    HB3  CYS  35          1HB       CYS  35   3.514   4.404   2.379
  258    H    ARG  36           H        ARG  36   5.316   3.228  -0.160
  259    HA   ARG  36           HA       ARG  36   7.201   5.098   0.245
  260    HB2  ARG  36          2HB       ARG  36   8.525   3.487   1.576
  261    HB3  ARG  36          1HB       ARG  36   8.542   2.388   0.205
  262    HG2  ARG  36          2HG       ARG  36   9.934   3.840  -1.061
  263    HG3  ARG  36          1HG       ARG  36   9.737   5.149   0.101
  264    HD2  ARG  36          2HD       ARG  36  11.934   4.069   0.296
  265    HD3  ARG  36          1HD       ARG  36  10.984   3.898   1.762
  266    HE   ARG  36           HE       ARG  36  10.510   1.618   1.073
  267   HH11  ARG  36          1HH1      ARG  36  13.319   3.211  -0.421
  268   HH12  ARG  36          2HH1      ARG  36  14.186   1.777  -0.662
  269   HH21  ARG  36          1HH2      ARG  36  11.766  -0.385   0.734
  270   HH22  ARG  36          2HH2      ARG  36  13.286  -0.296  -0.011
  271    H    ARG  37           H        ARG  37   6.510   2.144  -1.610
  272    HA   ARG  37           HA       ARG  37   7.625   3.368  -4.010
  273    HB2  ARG  37          2HB       ARG  37   6.538   0.581  -3.598
  274    HB3  ARG  37          1HB       ARG  37   7.408   1.164  -5.008
  275    HG2  ARG  37          2HG       ARG  37   9.405   1.493  -3.608
  276    HG3  ARG  37          1HG       ARG  37   8.469   0.882  -2.231
  277    HD2  ARG  37          2HD       ARG  37   8.177  -1.265  -3.336
  278    HD3  ARG  37          1HD       ARG  37   9.028  -0.666  -4.761
  279    HE   ARG  37           HE       ARG  37  10.875  -0.328  -2.900
  280   HH11  ARG  37          1HH1      ARG  37   8.846  -3.153  -3.536
  281   HH12  ARG  37          2HH1      ARG  37   9.999  -4.295  -3.032
  282   HH21  ARG  37          1HH2      ARG  37  12.464  -1.864  -2.180
  283   HH22  ARG  37          2HH2      ARG  37  12.117  -3.531  -2.179
  Start of MODEL   13
    1    H1   GLY   1          1HT       GLY   1  -8.858   0.768   3.202
    2    H2   GLY   1          2HT       GLY   1  -9.980   0.758   4.488
    3    H3   GLY   1          3HT       GLY   1  -9.800  -0.595   3.479
    4    HA2  GLY   1          1HA       GLY   1  -7.699   0.456   5.237
    5    HA3  GLY   1          2HA       GLY   1  -8.701  -0.955   5.572
    6    H    ILE   2           H        ILE   2  -5.914  -1.152   5.405
    7    HA   ILE   2           HA       ILE   2  -5.133  -1.827   2.790
    8    HB   ILE   2           HB       ILE   2  -3.055  -2.605   3.869
    9   HG12  ILE   2          2HG1      ILE   2  -4.512  -1.892   6.440
   10   HG13  ILE   2          1HG1      ILE   2  -3.920  -3.478   5.977
   11   HG21  ILE   2          1HG2      ILE   2  -4.085   0.067   4.796
   12   HG22  ILE   2          2HG2      ILE   2  -3.379  -0.287   3.223
   13   HG23  ILE   2          3HG2      ILE   2  -2.386  -0.394   4.679
   14   HD11  ILE   2          1HD1      ILE   2  -1.632  -2.681   6.128
   15   HD12  ILE   2          2HD1      ILE   2  -2.491  -2.388   7.647
   16   HD13  ILE   2          3HD1      ILE   2  -2.220  -1.068   6.505
   17    H    THR   3           H        THR   3  -4.988  -3.719   1.829
   18    HA   THR   3           HA       THR   3  -5.712  -6.174   3.202
   19    HB   THR   3           HB       THR   3  -6.949  -5.163   0.638
   20    HG1  THR   3          1HG       THR   3  -7.546  -4.607   3.188
   21   HG21  THR   3          1HG2      THR   3  -8.562  -7.026   0.945
   22   HG22  THR   3          2HG2      THR   3  -7.698  -7.520   2.400
   23   HG23  THR   3          3HG2      THR   3  -6.905  -7.620   0.828
   24    H    CYS   4           H        CYS   4  -4.963  -8.010   1.724
   25    HA   CYS   4           HA       CYS   4  -3.342  -7.086  -0.509
   26    HB2  CYS   4          2HB       CYS   4  -2.414  -9.116   1.513
   27    HB3  CYS   4          1HB       CYS   4  -1.616  -8.671   0.001
   28    H    ASP   5           H        ASP   5  -4.845  -7.829  -1.942
   29    HA   ASP   5           HA       ASP   5  -5.080 -10.766  -2.028
   30    HB2  ASP   5          2HB       ASP   5  -7.181  -9.366  -2.361
   31    HB3  ASP   5          1HB       ASP   5  -6.434  -8.735  -3.826
   32    H    LEU   6           H        LEU   6  -3.949  -7.861  -3.576
   33    HA   LEU   6           HA       LEU   6  -2.391  -9.415  -5.447
   34    HB2  LEU   6          2HB       LEU   6  -3.144  -6.499  -5.335
   35    HB3  LEU   6          1HB       LEU   6  -2.028  -7.181  -6.496
   36    HG   LEU   6           HG       LEU   6  -4.919  -8.012  -6.275
   37   HD11  LEU   6          1HD1      LEU   6  -5.280  -6.629  -8.249
   38   HD12  LEU   6          2HD1      LEU   6  -3.609  -6.070  -8.177
   39   HD13  LEU   6          3HD1      LEU   6  -4.738  -5.647  -6.889
   40   HD21  LEU   6          1HD2      LEU   6  -3.459  -9.675  -7.300
   41   HD22  LEU   6          2HD2      LEU   6  -2.814  -8.448  -8.388
   42   HD23  LEU   6          3HD2      LEU   6  -4.503  -8.931  -8.513
   43    H    ILE   7           H        ILE   7  -0.291  -9.149  -5.408
   44    HA   ILE   7           HA       ILE   7   0.999  -7.834  -3.140
   45    HB   ILE   7           HB       ILE   7   2.179  -9.650  -5.282
   46   HG12  ILE   7          2HG1      ILE   7   1.456 -10.317  -2.416
   47   HG13  ILE   7          1HG1      ILE   7   0.547 -10.828  -3.833
   48   HG21  ILE   7          1HG2      ILE   7   3.853  -8.177  -4.327
   49   HG22  ILE   7          2HG2      ILE   7   4.109  -9.830  -3.753
   50   HG23  ILE   7          3HG2      ILE   7   3.361  -8.636  -2.696
   51   HD11  ILE   7          1HD1      ILE   7   2.469 -12.131  -4.593
   52   HD12  ILE   7          2HD1      ILE   7   1.959 -12.620  -2.976
   53   HD13  ILE   7          3HD1      ILE   7   3.386 -11.603  -3.182
   54    H    GLY   8           H        GLY   8   2.018  -5.940  -3.484
   55    HA2  GLY   8          2HA       GLY   8   3.088  -4.199  -4.577
   56    HA3  GLY   8          1HA       GLY   8   3.183  -5.228  -5.988
   57    H    ASN   9           H        ASN   9   0.419  -5.589  -6.407
   58    HA   ASN   9           HA       ASN   9  -0.185  -3.001  -7.705
   59    HB2  ASN   9          2HB       ASN   9  -1.309  -5.761  -8.153
   60    HB3  ASN   9          1HB       ASN   9  -1.768  -4.350  -9.090
   61   HD21  ASN   9          1HD2      ASN   9  -0.662  -6.728 -10.138
   62   HD22  ASN   9          2HD2      ASN   9   0.860  -6.355 -10.850
   63    H    GLU  10           H        GLU  10  -0.713  -3.959  -4.954
   64    HA   GLU  10           HA       GLU  10  -3.535  -4.204  -4.841
   65    HB2  GLU  10          2HB       GLU  10  -2.284  -5.670  -3.514
   66    HB3  GLU  10          1HB       GLU  10  -1.403  -4.391  -2.726
   67    HG2  GLU  10          2HG       GLU  10  -3.099  -5.227  -1.297
   68    HG3  GLU  10          1HG       GLU  10  -3.481  -3.576  -1.838
   69    H    ARG  11           H        ARG  11  -3.998  -2.346  -5.598
   70    HA   ARG  11           HA       ARG  11  -3.512   0.229  -4.777
   71    HB2  ARG  11          2HB       ARG  11  -6.154  -0.880  -5.655
   72    HB3  ARG  11          1HB       ARG  11  -5.793   0.836  -5.521
   73    HG2  ARG  11          2HG       ARG  11  -4.499  -1.153  -7.377
   74    HG3  ARG  11          1HG       ARG  11  -5.663   0.092  -7.824
   75    HD2  ARG  11          2HD       ARG  11  -2.882   0.536  -6.740
   76    HD3  ARG  11          1HD       ARG  11  -3.408   0.765  -8.400
   77    HE   ARG  11           HE       ARG  11  -4.994   2.374  -6.746
   78   HH11  ARG  11          1HH1      ARG  11  -1.658   2.168  -7.896
   79   HH12  ARG  11          2HH1      ARG  11  -1.343   3.832  -7.718
   80   HH21  ARG  11          1HH2      ARG  11  -4.578   4.624  -6.518
   81   HH22  ARG  11          2HH2      ARG  11  -3.069   5.289  -6.944
   82    H    LEU  12           H        LEU  12  -5.519  -2.120  -3.018
   83    HA   LEU  12           HA       LEU  12  -6.753  -0.250  -1.275
   84    HB2  LEU  12          2HB       LEU  12  -6.105  -3.171  -0.865
   85    HB3  LEU  12          1HB       LEU  12  -7.057  -2.220   0.256
   86    HG   LEU  12           HG       LEU  12  -7.818  -2.781  -2.609
   87   HD11  LEU  12          1HD1      LEU  12  -8.883  -3.938  -0.037
   88   HD12  LEU  12          2HD1      LEU  12  -7.908  -4.792  -1.234
   89   HD13  LEU  12          3HD1      LEU  12  -9.527  -4.235  -1.652
   90   HD21  LEU  12          1HD2      LEU  12  -9.336  -1.487  -0.361
   91   HD22  LEU  12          2HD2      LEU  12  -9.979  -1.872  -1.959
   92   HD23  LEU  12          3HD2      LEU  12  -8.699  -0.672  -1.788
   93    H    CYS  13           H        CYS  13  -3.634  -1.583  -1.400
   94    HA   CYS  13           HA       CYS  13  -2.933  -0.696   1.259
   95    HB2  CYS  13          2HB       CYS  13  -1.947  -2.752   0.506
   96    HB3  CYS  13          1HB       CYS  13  -1.402  -2.013  -0.987
   97    H    VAL  14           H        VAL  14  -2.188   0.030  -2.120
   98    HA   VAL  14           HA       VAL  14  -0.350   2.078  -1.855
   99    HB   VAL  14           HB       VAL  14  -2.516   2.078  -3.943
  100   HG11  VAL  14          1HG1      VAL  14   0.318   3.091  -4.013
  101   HG12  VAL  14          2HG1      VAL  14  -1.141   4.062  -3.887
  102   HG13  VAL  14          3HG1      VAL  14  -0.824   3.143  -5.365
  103   HG21  VAL  14          1HG2      VAL  14   0.077   0.528  -3.995
  104   HG22  VAL  14          2HG2      VAL  14  -1.054   0.665  -5.341
  105   HG23  VAL  14          3HG2      VAL  14  -1.535  -0.168  -3.863
  106    H    VAL  15           H        VAL  15  -3.900   2.339  -1.959
  107    HA   VAL  15           HA       VAL  15  -4.013   5.131  -1.945
  108    HB   VAL  15           HB       VAL  15  -5.896   3.651  -2.585
  109   HG11  VAL  15          1HG1      VAL  15  -6.257   3.220   0.354
  110   HG12  VAL  15          2HG1      VAL  15  -5.811   2.011  -0.851
  111   HG13  VAL  15          3HG1      VAL  15  -7.414   2.753  -0.896
  112   HG21  VAL  15          1HG2      VAL  15  -6.339   6.003  -2.203
  113   HG22  VAL  15          2HG2      VAL  15  -6.572   5.705  -0.482
  114   HG23  VAL  15          3HG2      VAL  15  -7.711   5.040  -1.652
  115    H    HIS  16           H        HIS  16  -3.538   2.896   0.674
  116    HA   HIS  16           HA       HIS  16  -4.258   4.702   2.777
  117    HB2  HIS  16          2HB       HIS  16  -4.318   2.387   3.332
  118    HB3  HIS  16          1HB       HIS  16  -2.722   2.090   2.686
  119    HD1  HIS  16          1HD       HIS  16  -4.317   3.869   5.686
  120    HD2  HIS  16          2HD       HIS  16  -0.763   2.107   4.465
  121    HE1  HIS  16          1HE       HIS  16  -2.783   3.895   7.709
  122    H    CYS  17           H        CYS  17  -1.320   3.769   1.182
  123    HA   CYS  17           HA       CYS  17   0.364   5.418   2.790
  124    HB2  CYS  17          2HB       CYS  17   0.850   4.247   0.063
  125    HB3  CYS  17          1HB       CYS  17   2.072   4.843   1.187
  126    H    LEU  18           H        LEU  18  -1.343   5.858  -0.271
  127    HA   LEU  18           HA       LEU  18  -0.201   8.382  -0.877
  128    HB2  LEU  18          2HB       LEU  18  -2.914   7.272  -1.598
  129    HB3  LEU  18          1HB       LEU  18  -2.198   8.701  -2.306
  130    HG   LEU  18           HG       LEU  18  -1.098   5.904  -2.567
  131   HD11  LEU  18          1HD1      LEU  18  -1.867   6.063  -4.883
  132   HD12  LEU  18          2HD1      LEU  18  -2.605   7.624  -4.521
  133   HD13  LEU  18          3HD1      LEU  18  -3.210   6.162  -3.743
  134   HD21  LEU  18          1HD2      LEU  18   0.343   6.893  -4.283
  135   HD22  LEU  18          2HD2      LEU  18   0.643   7.605  -2.702
  136   HD23  LEU  18          3HD2      LEU  18  -0.302   8.489  -3.902
  137    H    ALA  19           H        ALA  19  -2.901   7.368   1.134
  138    HA   ALA  19           HA       ALA  19  -3.912   9.979   1.626
  139    HB1  ALA  19          1HB       ALA  19  -4.251   7.460   3.259
  140    HB2  ALA  19          2HB       ALA  19  -5.280   7.957   1.918
  141    HB3  ALA  19          3HB       ALA  19  -5.228   8.923   3.393
  142    H    LYS  20           H        LYS  20  -1.559   7.922   3.187
  143    HA   LYS  20           HA       LYS  20  -1.199   9.715   5.382
  144    HB2  LYS  20          2HB       LYS  20   0.487   7.408   4.434
  145    HB3  LYS  20          1HB       LYS  20   0.838   8.347   5.880
  146    HG2  LYS  20          2HG       LYS  20  -1.340   7.710   6.811
  147    HG3  LYS  20          1HG       LYS  20  -1.666   6.756   5.367
  148    HD2  LYS  20          2HD       LYS  20  -0.915   5.314   7.158
  149    HD3  LYS  20          1HD       LYS  20   0.289   5.361   5.876
  150    HE2  LYS  20          2HE       LYS  20   1.301   5.456   8.107
  151    HE3  LYS  20          1HE       LYS  20   1.635   6.893   7.150
  152    HZ1  LYS  20          1HZ       LYS  20  -0.058   8.086   8.412
  153    HZ2  LYS  20          2HZ       LYS  20   1.065   7.400   9.452
  154    HZ3  LYS  20          3HZ       LYS  20  -0.437   6.683   9.270
  155    H    GLY  21           H        GLY  21   0.124   9.488   2.221
  156    HA2  GLY  21          2HA       GLY  21   0.929  11.643   1.346
  157    HA3  GLY  21          1HA       GLY  21   1.744  11.871   2.886
  158    H    PHE  22           H        PHE  22   1.756   8.780   1.413
  159    HA   PHE  22           HA       PHE  22   4.606   9.032   0.918
  160    HB2  PHE  22          2HB       PHE  22   2.795   6.880   1.677
  161    HB3  PHE  22          1HB       PHE  22   3.953   6.333   0.492
  162    HD1  PHE  22          1HD       PHE  22   6.360   6.780   0.951
  163    HD2  PHE  22          2HD       PHE  22   3.349   7.076   3.919
  164    HE1  PHE  22          1HE       PHE  22   8.045   6.484   2.630
  165    HE2  PHE  22          2HE       PHE  22   5.036   6.780   5.663
  166    HZ   PHE  22           HZ       PHE  22   7.413   6.486   5.048
  167    H    ARG  23           H        ARG  23   5.518   8.174  -1.051
  168    HA   ARG  23           HA       ARG  23   4.362   8.903  -3.468
  169    HB2  ARG  23          2HB       ARG  23   6.465   6.819  -2.860
  170    HB3  ARG  23          1HB       ARG  23   6.006   7.273  -4.491
  171    HG2  ARG  23          2HG       ARG  23   7.184   9.122  -2.429
  172    HG3  ARG  23          1HG       ARG  23   8.057   8.382  -3.771
  173    HD2  ARG  23          2HD       ARG  23   5.758  10.328  -3.965
  174    HD3  ARG  23          1HD       ARG  23   7.447  10.636  -4.357
  175    HE   ARG  23           HE       ARG  23   7.085   8.749  -6.030
  176   HH11  ARG  23          1HH1      ARG  23   4.687  11.199  -5.226
  177   HH12  ARG  23          2HH1      ARG  23   3.886  11.146  -6.725
  178   HH21  ARG  23          1HH2      ARG  23   6.058   8.693  -8.099
  179   HH22  ARG  23          2HH2      ARG  23   4.670   9.660  -8.413
  180    H    GLY  24           H        GLY  24   4.082   6.011  -1.608
  181    HA2  GLY  24          2HA       GLY  24   1.658   5.246  -2.473
  182    HA3  GLY  24          1HA       GLY  24   2.773   4.532  -3.638
  183    H    GLY  25           H        GLY  25   1.628   2.664  -2.524
  184    HA2  GLY  25          2HA       GLY  25   3.444   1.714  -0.501
  185    HA3  GLY  25          1HA       GLY  25   1.715   1.701  -0.145
  186    H    TRP  26           H        TRP  26   3.367  -0.538  -0.321
  187    HA   TRP  26           HA       TRP  26   1.988  -1.892  -2.464
  188    HB2  TRP  26          2HB       TRP  26   3.954  -2.884  -3.418
  189    HB3  TRP  26          1HB       TRP  26   4.260  -1.159  -3.344
  190    HD1  TRP  26           HD       TRP  26   5.792  -4.399  -2.536
  191    HE1  TRP  26          1HE       TRP  26   7.892  -4.106  -1.089
  192    HE3  TRP  26          3HE       TRP  26   5.152   0.454  -1.171
  193    HZ2  TRP  26          2HZ       TRP  26   9.108  -2.090   0.445
  194    HZ3  TRP  26          3HZ       TRP  26   6.797   1.507   0.300
  195    HH2  TRP  26           HH       TRP  26   8.761   0.250   1.099
  196    H    CYS  27           H        CYS  27   1.346  -3.810  -1.809
  197    HA   CYS  27           HA       CYS  27   2.153  -4.714   0.797
  198    HB2  CYS  27          2HB       CYS  27  -0.198  -4.996   0.063
  199    HB3  CYS  27          1HB       CYS  27   0.356  -6.014  -1.265
  200    H    ASP  28           H        ASP  28   3.801  -6.052   1.078
  201    HA   ASP  28           HA       ASP  28   5.178  -6.926  -1.349
  202    HB2  ASP  28          2HB       ASP  28   7.153  -7.218  -0.045
  203    HB3  ASP  28          1HB       ASP  28   6.398  -5.758   0.569
  204    H    SER  29           H        SER  29   6.504  -9.131  -0.703
  205    HA   SER  29           HA       SER  29   4.724 -11.204  -1.151
  206    HB2  SER  29          2HB       SER  29   7.471 -11.462   0.034
  207    HB3  SER  29          1HB       SER  29   6.642 -12.573  -1.063
  208    HG   SER  29           HG       SER  29   6.690 -10.696  -2.615
  209    H    ARG  30           H        ARG  30   5.860  -9.837   1.895
  210    HA   ARG  30           HA       ARG  30   5.088 -12.072   3.543
  211    HB2  ARG  30          2HB       ARG  30   5.825  -9.225   4.234
  212    HB3  ARG  30          1HB       ARG  30   5.536 -10.494   5.414
  213    HG2  ARG  30          2HG       ARG  30   7.416 -11.737   4.611
  214    HG3  ARG  30          1HG       ARG  30   7.668 -10.584   3.298
  215    HD2  ARG  30          2HD       ARG  30   9.240 -10.232   5.145
  216    HD3  ARG  30          1HD       ARG  30   8.183  -8.842   4.915
  217    HE   ARG  30           HE       ARG  30   6.900 -10.281   6.797
  218   HH11  ARG  30          1HH1      ARG  30  10.253  -9.146   6.592
  219   HH12  ARG  30          2HH1      ARG  30  10.410  -8.907   8.273
  220   HH21  ARG  30          1HH2      ARG  30   7.123  -9.964   9.049
  221   HH22  ARG  30          2HH2      ARG  30   8.594  -9.401   9.722
  222    H    LYS  31           H        LYS  31   3.381  -9.812   1.884
  223    HA   LYS  31           HA       LYS  31   1.263  -9.153   1.797
  224    HB2  LYS  31          2HB       LYS  31   0.752 -11.126   4.025
  225    HB3  LYS  31          1HB       LYS  31  -0.471 -10.399   2.997
  226    HG2  LYS  31          2HG       LYS  31   1.729 -12.229   2.062
  227    HG3  LYS  31          1HG       LYS  31   0.060 -12.710   2.338
  228    HD2  LYS  31          2HD       LYS  31  -0.676 -11.159   0.592
  229    HD3  LYS  31          1HD       LYS  31   0.991 -10.638   0.345
  230    HE2  LYS  31          2HE       LYS  31   0.326 -12.247  -1.349
  231    HE3  LYS  31          1HE       LYS  31   1.610 -12.894  -0.332
  232    HZ1  LYS  31          1HZ       LYS  31  -0.111 -14.513  -0.776
  233    HZ2  LYS  31          2HZ       LYS  31  -1.281 -13.537  -0.078
  234    HZ3  LYS  31          3HZ       LYS  31  -0.053 -14.186   0.872
  235    H    VAL  32           H        VAL  32   3.123  -7.793   3.298
  236    HA   VAL  32           HA       VAL  32   1.457  -6.509   5.326
  237    HB   VAL  32           HB       VAL  32   4.450  -6.332   4.851
  238   HG11  VAL  32          1HG1      VAL  32   4.544  -5.089   6.979
  239   HG12  VAL  32          2HG1      VAL  32   2.782  -5.116   7.055
  240   HG13  VAL  32          3HG1      VAL  32   3.592  -4.243   5.757
  241   HG21  VAL  32          1HG2      VAL  32   2.929  -7.694   7.071
  242   HG22  VAL  32          2HG2      VAL  32   4.683  -7.525   6.990
  243   HG23  VAL  32          3HG2      VAL  32   3.832  -8.489   5.782
  244    H    CYS  33           H        CYS  33   0.826  -4.437   4.939
  245    HA   CYS  33           HA       CYS  33   1.310  -3.298   2.344
  246    HB2  CYS  33          2HB       CYS  33  -0.939  -3.005   3.619
  247    HB3  CYS  33          1HB       CYS  33  -0.023  -2.034   4.747
  248    H    ASN  34           H        ASN  34   3.198  -2.278   1.971
  249    HA   ASN  34           HA       ASN  34   4.509  -0.924   4.241
  250    HB2  ASN  34          2HB       ASN  34   5.799  -1.817   1.648
  251    HB3  ASN  34          1HB       ASN  34   6.611  -1.199   3.073
  252   HD21  ASN  34          1HD2      ASN  34   5.172  -3.870   1.558
  253   HD22  ASN  34          2HD2      ASN  34   5.589  -5.105   2.686
  254    H    CYS  35           H        CYS  35   5.156   1.223   3.890
  255    HA   CYS  35           HA       CYS  35   4.139   2.408   1.381
  256    HB2  CYS  35          2HB       CYS  35   4.395   3.718   4.093
  257    HB3  CYS  35          1HB       CYS  35   3.777   4.479   2.637
  258    H    ARG  36           H        ARG  36   5.520   3.325   0.062
  259    HA   ARG  36           HA       ARG  36   7.509   5.104   0.552
  260    HB2  ARG  36          2HB       ARG  36   8.638   3.170   1.761
  261    HB3  ARG  36          1HB       ARG  36   8.790   2.396   0.191
  262    HG2  ARG  36          2HG       ARG  36  10.163   4.216  -0.604
  263    HG3  ARG  36          1HG       ARG  36   9.971   5.055   0.938
  264    HD2  ARG  36          2HD       ARG  36  11.015   3.096   2.065
  265    HD3  ARG  36          1HD       ARG  36  11.330   2.401   0.474
  266    HE   ARG  36           HE       ARG  36  12.357   4.979   0.532
  267   HH11  ARG  36          1HH1      ARG  36  13.043   1.818   1.970
  268   HH12  ARG  36          2HH1      ARG  36  14.682   2.148   2.258
  269   HH21  ARG  36          1HH2      ARG  36  14.624   5.441   0.937
  270   HH22  ARG  36          2HH2      ARG  36  15.604   4.257   1.642
  271    H    ARG  37           H        ARG  37   6.522   2.316  -1.397
  272    HA   ARG  37           HA       ARG  37   7.652   3.570  -3.790
  273    HB2  ARG  37          2HB       ARG  37   6.714   0.726  -3.396
  274    HB3  ARG  37          1HB       ARG  37   7.550   1.374  -4.801
  275    HG2  ARG  37          2HG       ARG  37   9.528   1.769  -3.428
  276    HG3  ARG  37          1HG       ARG  37   8.645   1.120  -2.036
  277    HD2  ARG  37          2HD       ARG  37   8.444  -1.032  -3.169
  278    HD3  ARG  37          1HD       ARG  37   9.311  -0.391  -4.566
  279    HE   ARG  37           HE       ARG  37  11.074   0.075  -2.699
  280   HH11  ARG  37          1HH1      ARG  37   9.157  -2.878  -3.222
  281   HH12  ARG  37          2HH1      ARG  37  10.270  -3.919  -2.501
  282   HH21  ARG  37          1HH2      ARG  37  12.649  -1.386  -1.723
  283   HH22  ARG  37          2HH2      ARG  37  12.321  -3.047  -1.635
  Start of MODEL   14
    1    H1   GLY   1          1HT       GLY   1 -10.263  -1.516   6.135
    2    H2   GLY   1          2HT       GLY   1  -9.450  -2.871   5.520
    3    H3   GLY   1          3HT       GLY   1  -9.818  -1.591   4.508
    4    HA2  GLY   1          1HA       GLY   1  -8.323  -0.150   5.686
    5    HA3  GLY   1          2HA       GLY   1  -7.926  -1.495   6.754
    6    H    ILE   2           H        ILE   2  -5.763  -1.743   6.121
    7    HA   ILE   2           HA       ILE   2  -5.300  -2.079   3.312
    8    HB   ILE   2           HB       ILE   2  -2.874  -2.307   4.057
    9   HG12  ILE   2          2HG1      ILE   2  -4.059  -1.273   6.648
   10   HG13  ILE   2          1HG1      ILE   2  -3.235  -2.815   6.425
   11   HG21  ILE   2          1HG2      ILE   2  -4.353   0.262   4.549
   12   HG22  ILE   2          2HG2      ILE   2  -3.742  -0.324   3.004
   13   HG23  ILE   2          3HG2      ILE   2  -2.617   0.121   4.287
   14   HD11  ILE   2          1HD1      ILE   2  -2.008  -0.083   6.163
   15   HD12  ILE   2          2HD1      ILE   2  -1.160  -1.615   5.962
   16   HD13  ILE   2          3HD1      ILE   2  -1.825  -1.170   7.540
   17    H    THR   3           H        THR   3  -5.359  -3.890   2.413
   18    HA   THR   3           HA       THR   3  -4.821  -6.369   3.863
   19    HB   THR   3           HB       THR   3  -7.195  -5.933   2.000
   20    HG1  THR   3          1HG       THR   3  -6.934  -5.666   4.786
   21   HG21  THR   3          1HG2      THR   3  -7.989  -8.064   2.929
   22   HG22  THR   3          2HG2      THR   3  -6.569  -8.149   3.970
   23   HG23  THR   3          3HG2      THR   3  -6.386  -8.267   2.220
   24    H    CYS   4           H        CYS   4  -4.080  -8.022   2.301
   25    HA   CYS   4           HA       CYS   4  -3.391  -6.838  -0.272
   26    HB2  CYS   4          2HB       CYS   4  -1.724  -8.665   1.430
   27    HB3  CYS   4          1HB       CYS   4  -1.301  -8.145  -0.200
   28    H    ASP   5           H        ASP   5  -4.750  -7.735  -1.661
   29    HA   ASP   5           HA       ASP   5  -5.043 -10.625  -1.581
   30    HB2  ASP   5          2HB       ASP   5  -7.138  -9.328  -1.825
   31    HB3  ASP   5          1HB       ASP   5  -6.466  -8.547  -3.255
   32    H    LEU   6           H        LEU   6  -3.824  -7.914  -3.436
   33    HA   LEU   6           HA       LEU   6  -2.320  -9.832  -5.022
   34    HB2  LEU   6          2HB       LEU   6  -3.294  -7.082  -5.754
   35    HB3  LEU   6          1HB       LEU   6  -2.125  -7.980  -6.701
   36    HG   LEU   6           HG       LEU   6  -4.997  -8.764  -6.204
   37   HD11  LEU   6          1HD1      LEU   6  -5.262  -8.333  -8.599
   38   HD12  LEU   6          2HD1      LEU   6  -3.588  -7.783  -8.674
   39   HD13  LEU   6          3HD1      LEU   6  -4.767  -6.880  -7.733
   40   HD21  LEU   6          1HD2      LEU   6  -2.864 -10.100  -7.872
   41   HD22  LEU   6          2HD2      LEU   6  -4.567 -10.546  -7.841
   42   HD23  LEU   6          3HD2      LEU   6  -3.586 -10.742  -6.394
   43    H    ILE   7           H        ILE   7  -0.269  -9.135  -5.538
   44    HA   ILE   7           HA       ILE   7   1.034  -7.627  -3.428
   45    HB   ILE   7           HB       ILE   7   2.180  -9.354  -5.624
   46   HG12  ILE   7          2HG1      ILE   7   0.980 -10.670  -4.018
   47   HG13  ILE   7          1HG1      ILE   7   2.722 -10.900  -3.858
   48   HG21  ILE   7          1HG2      ILE   7   3.584  -8.053  -3.302
   49   HG22  ILE   7          2HG2      ILE   7   3.771  -7.642  -5.007
   50   HG23  ILE   7          3HG2      ILE   7   4.307  -9.215  -4.414
   51   HD11  ILE   7          1HD1      ILE   7   1.644 -10.829  -1.678
   52   HD12  ILE   7          2HD1      ILE   7   0.976  -9.242  -2.041
   53   HD13  ILE   7          3HD1      ILE   7   2.723  -9.448  -1.882
   54    H    GLY   8           H        GLY   8   1.668  -5.744  -3.761
   55    HA2  GLY   8          2HA       GLY   8   2.479  -3.764  -4.750
   56    HA3  GLY   8          1HA       GLY   8   2.770  -4.708  -6.197
   57    H    ASN   9           H        ASN   9   0.091  -5.479  -6.648
   58    HA   ASN   9           HA       ASN   9  -0.839  -3.048  -8.006
   59    HB2  ASN   9          2HB       ASN   9  -1.535  -5.958  -8.286
   60    HB3  ASN   9          1HB       ASN   9  -2.450  -4.700  -9.097
   61   HD21  ASN   9          1HD2      ASN   9   0.604  -6.387  -8.967
   62   HD22  ASN   9          2HD2      ASN   9   1.184  -5.808 -10.483
   63    H    GLU  10           H        GLU  10  -1.205  -4.093  -5.186
   64    HA   GLU  10           HA       GLU  10  -4.030  -4.242  -4.920
   65    HB2  GLU  10          2HB       GLU  10  -2.648  -5.684  -3.672
   66    HB3  GLU  10          1HB       GLU  10  -1.733  -4.395  -2.953
   67    HG2  GLU  10          2HG       GLU  10  -3.243  -5.236  -1.398
   68    HG3  GLU  10          1HG       GLU  10  -3.831  -3.644  -1.924
   69    H    ARG  11           H        ARG  11  -4.370  -2.336  -5.796
   70    HA   ARG  11           HA       ARG  11  -3.445   0.214  -5.123
   71    HB2  ARG  11          2HB       ARG  11  -6.165  -0.475  -6.200
   72    HB3  ARG  11          1HB       ARG  11  -5.383   1.100  -6.275
   73    HG2  ARG  11          2HG       ARG  11  -4.393  -1.417  -7.607
   74    HG3  ARG  11          1HG       ARG  11  -5.234  -0.090  -8.403
   75    HD2  ARG  11          2HD       ARG  11  -2.577   0.136  -6.977
   76    HD3  ARG  11          1HD       ARG  11  -2.774   0.002  -8.715
   77    HE   ARG  11           HE       ARG  11  -4.328   2.117  -7.966
   78   HH11  ARG  11          1HH1      ARG  11  -0.855   1.323  -7.768
   79   HH12  ARG  11          2HH1      ARG  11  -0.351   2.938  -7.922
   80   HH21  ARG  11          1HH2      ARG  11  -3.593   4.339  -8.125
   81   HH22  ARG  11          2HH2      ARG  11  -1.936   4.692  -8.078
   82    H    LEU  12           H        LEU  12  -6.049  -1.614  -3.654
   83    HA   LEU  12           HA       LEU  12  -7.055   0.506  -2.081
   84    HB2  LEU  12          2HB       LEU  12  -7.204  -2.475  -1.704
   85    HB3  LEU  12          1HB       LEU  12  -8.064  -1.334  -0.691
   86    HG   LEU  12           HG       LEU  12  -8.488  -1.728  -3.660
   87   HD11  LEU  12          1HD1      LEU  12  -9.295  -3.603  -2.350
   88   HD12  LEU  12          2HD1      LEU  12 -10.640  -2.663  -2.994
   89   HD13  LEU  12          3HD1      LEU  12 -10.185  -2.502  -1.299
   90   HD21  LEU  12          1HD2      LEU  12  -9.941   0.028  -1.676
   91   HD22  LEU  12          2HD2      LEU  12 -10.445  -0.269  -3.336
   92   HD23  LEU  12          3HD2      LEU  12  -8.935   0.581  -3.019
   93    H    CYS  13           H        CYS  13  -4.268  -1.417  -1.817
   94    HA   CYS  13           HA       CYS  13  -3.839  -0.724   0.950
   95    HB2  CYS  13          2HB       CYS  13  -3.049  -2.884   0.243
   96    HB3  CYS  13          1HB       CYS  13  -2.173  -2.184  -1.117
   97    H    VAL  14           H        VAL  14  -2.531  -0.020  -2.235
   98    HA   VAL  14           HA       VAL  14  -0.498   1.780  -1.599
   99    HB   VAL  14           HB       VAL  14  -2.237   1.897  -4.058
  100   HG11  VAL  14          1HG1      VAL  14  -0.216   2.753  -5.184
  101   HG12  VAL  14          2HG1      VAL  14   0.625   2.746  -3.634
  102   HG13  VAL  14          3HG1      VAL  14  -0.762   3.808  -3.880
  103   HG21  VAL  14          1HG2      VAL  14   0.211   0.197  -3.591
  104   HG22  VAL  14          2HG2      VAL  14  -0.689   0.340  -5.108
  105   HG23  VAL  14          3HG2      VAL  14  -1.451  -0.385  -3.699
  106    H    VAL  15           H        VAL  15  -3.953   2.371  -2.083
  107    HA   VAL  15           HA       VAL  15  -3.861   5.162  -2.191
  108    HB   VAL  15           HB       VAL  15  -5.818   3.784  -2.857
  109   HG11  VAL  15          1HG1      VAL  15  -6.343   3.552   0.082
  110   HG12  VAL  15          2HG1      VAL  15  -5.931   2.245  -1.026
  111   HG13  VAL  15          3HG1      VAL  15  -7.472   3.093  -1.195
  112   HG21  VAL  15          1HG2      VAL  15  -7.553   5.352  -2.106
  113   HG22  VAL  15          2HG2      VAL  15  -6.075   6.185  -2.596
  114   HG23  VAL  15          3HG2      VAL  15  -6.441   5.969  -0.884
  115    H    HIS  16           H        HIS  16  -3.623   3.038   0.516
  116    HA   HIS  16           HA       HIS  16  -4.332   4.889   2.570
  117    HB2  HIS  16          2HB       HIS  16  -4.304   2.497   3.004
  118    HB3  HIS  16          1HB       HIS  16  -2.610   2.400   2.567
  119    HD1  HIS  16          1HD       HIS  16  -4.852   3.610   5.358
  120    HD2  HIS  16          2HD       HIS  16  -0.843   2.866   4.581
  121    HE1  HIS  16          1HE       HIS  16  -3.658   3.836   7.567
  122    H    CYS  17           H        CYS  17  -1.385   3.920   1.018
  123    HA   CYS  17           HA       CYS  17   0.424   5.533   2.500
  124    HB2  CYS  17          2HB       CYS  17   0.692   4.482  -0.302
  125    HB3  CYS  17          1HB       CYS  17   1.982   4.845   0.840
  126    H    LEU  18           H        LEU  18  -1.393   5.948  -0.502
  127    HA   LEU  18           HA       LEU  18  -0.195   8.425  -1.203
  128    HB2  LEU  18          2HB       LEU  18  -2.907   7.357  -1.986
  129    HB3  LEU  18          1HB       LEU  18  -2.045   8.657  -2.781
  130    HG   LEU  18           HG       LEU  18  -1.235   5.754  -2.716
  131   HD11  LEU  18          1HD1      LEU  18  -1.680   5.816  -5.115
  132   HD12  LEU  18          2HD1      LEU  18  -2.246   7.479  -4.965
  133   HD13  LEU  18          3HD1      LEU  18  -3.125   6.174  -4.170
  134   HD21  LEU  18          1HD2      LEU  18   0.744   7.167  -2.711
  135   HD22  LEU  18          2HD2      LEU  18   0.094   8.111  -4.050
  136   HD23  LEU  18          3HD2      LEU  18   0.535   6.420  -4.297
  137    H    ALA  19           H        ALA  19  -2.944   7.526   0.777
  138    HA   ALA  19           HA       ALA  19  -3.997  10.131   1.094
  139    HB1  ALA  19          1HB       ALA  19  -4.320   7.724   2.886
  140    HB2  ALA  19          2HB       ALA  19  -5.331   8.106   1.493
  141    HB3  ALA  19          3HB       ALA  19  -5.327   9.170   2.901
  142    H    LYS  20           H        LYS  20  -1.804   8.161   3.076
  143    HA   LYS  20           HA       LYS  20  -1.509  10.117   5.111
  144    HB2  LYS  20          2HB       LYS  20   0.206   7.783   4.329
  145    HB3  LYS  20          1HB       LYS  20   0.669   8.875   5.623
  146    HG2  LYS  20          2HG       LYS  20  -1.447   8.302   6.789
  147    HG3  LYS  20          1HG       LYS  20  -1.788   7.121   5.525
  148    HD2  LYS  20          2HD       LYS  20   0.193   5.895   6.040
  149    HD3  LYS  20          1HD       LYS  20   0.721   7.144   7.168
  150    HE2  LYS  20          2HE       LYS  20  -1.164   6.677   8.609
  151    HE3  LYS  20          1HE       LYS  20  -1.769   5.486   7.460
  152    HZ1  LYS  20          1HZ       LYS  20  -0.606   4.455   9.285
  153    HZ2  LYS  20          2HZ       LYS  20   0.817   5.274   8.932
  154    HZ3  LYS  20          3HZ       LYS  20   0.170   4.153   7.831
  155    H    GLY  21           H        GLY  21   0.232   9.536   2.152
  156    HA2  GLY  21          2HA       GLY  21   1.048  11.643   1.107
  157    HA3  GLY  21          1HA       GLY  21   1.698  12.035   2.694
  158    H    PHE  22           H        PHE  22   1.743   9.096   0.808
  159    HA   PHE  22           HA       PHE  22   4.647   9.028   1.102
  160    HB2  PHE  22          2HB       PHE  22   2.541   6.927   0.994
  161    HB3  PHE  22          1HB       PHE  22   4.132   6.480   0.427
  162    HD1  PHE  22          1HD       PHE  22   5.956   6.492   1.865
  163    HD2  PHE  22          2HD       PHE  22   2.068   7.338   3.272
  164    HE1  PHE  22          1HE       PHE  22   6.715   6.035   4.048
  165    HE2  PHE  22          2HE       PHE  22   2.799   6.887   5.575
  166    HZ   PHE  22           HZ       PHE  22   5.145   6.230   6.003
  167    H    ARG  23           H        ARG  23   5.817   8.091  -0.641
  168    HA   ARG  23           HA       ARG  23   5.196   9.049  -3.212
  169    HB2  ARG  23          2HB       ARG  23   7.493   8.561  -2.457
  170    HB3  ARG  23          1HB       ARG  23   7.092   6.861  -2.306
  171    HG2  ARG  23          2HG       ARG  23   6.777   6.720  -4.726
  172    HG3  ARG  23          1HG       ARG  23   7.177   8.431  -4.882
  173    HD2  ARG  23          2HD       ARG  23   8.988   6.295  -3.765
  174    HD3  ARG  23          1HD       ARG  23   9.101   6.978  -5.388
  175    HE   ARG  23           HE       ARG  23   9.208   9.115  -3.669
  176   HH11  ARG  23          1HH1      ARG  23  11.191   6.233  -4.155
  177   HH12  ARG  23          2HH1      ARG  23  12.647   6.952  -3.643
  178   HH21  ARG  23          1HH2      ARG  23  11.159  10.118  -2.999
  179   HH22  ARG  23          2HH2      ARG  23  12.630   9.242  -2.974
  180    H    GLY  24           H        GLY  24   4.516   6.134  -1.438
  181    HA2  GLY  24          2HA       GLY  24   2.287   5.395  -2.754
  182    HA3  GLY  24          1HA       GLY  24   3.590   4.676  -3.694
  183    H    GLY  25           H        GLY  25   2.437   2.705  -2.961
  184    HA2  GLY  25          2HA       GLY  25   3.703   1.712  -0.591
  185    HA3  GLY  25          1HA       GLY  25   1.945   1.785  -0.535
  186    H    TRP  26           H        TRP  26   3.177  -0.610  -0.321
  187    HA   TRP  26           HA       TRP  26   2.155  -1.975  -2.624
  188    HB2  TRP  26          2HB       TRP  26   4.183  -3.032  -3.340
  189    HB3  TRP  26          1HB       TRP  26   4.490  -1.304  -3.312
  190    HD1  TRP  26           HD       TRP  26   5.901  -4.511  -2.167
  191    HE1  TRP  26          1HE       TRP  26   7.880  -4.141  -0.526
  192    HE3  TRP  26          3HE       TRP  26   5.227   0.429  -1.149
  193    HZ2  TRP  26          2HZ       TRP  26   8.963  -2.068   0.984
  194    HZ3  TRP  26          3HZ       TRP  26   6.743   1.532   0.436
  195    HH2  TRP  26           HH       TRP  26   8.593   0.296   1.474
  196    H    CYS  27           H        CYS  27   1.774  -4.076  -2.158
  197    HA   CYS  27           HA       CYS  27   2.213  -4.981   0.553
  198    HB2  CYS  27          2HB       CYS  27   0.886  -6.258  -1.841
  199    HB3  CYS  27          1HB       CYS  27   1.035  -7.041  -0.270
  200    H    ASP  28           H        ASP  28   3.918  -6.182   1.086
  201    HA   ASP  28           HA       ASP  28   5.665  -7.003  -1.105
  202    HB2  ASP  28          2HB       ASP  28   7.449  -7.261   0.473
  203    HB3  ASP  28          1HB       ASP  28   6.611  -5.789   0.925
  204    H    SER  29           H        SER  29   6.923  -9.217  -0.277
  205    HA   SER  29           HA       SER  29   5.085 -11.174  -1.025
  206    HB2  SER  29          2HB       SER  29   7.532 -11.257  -1.461
  207    HB3  SER  29          1HB       SER  29   7.788 -11.586   0.253
  208    HG   SER  29           HG       SER  29   6.709 -13.501   0.045
  209    H    ARG  30           H        ARG  30   5.867  -9.982   2.159
  210    HA   ARG  30           HA       ARG  30   4.957 -12.330   3.579
  211    HB2  ARG  30          2HB       ARG  30   5.406  -9.511   4.538
  212    HB3  ARG  30          1HB       ARG  30   5.103 -10.894   5.567
  213    HG2  ARG  30          2HG       ARG  30   7.219 -11.827   5.082
  214    HG3  ARG  30          1HG       ARG  30   7.476 -10.705   3.736
  215    HD2  ARG  30          2HD       ARG  30   7.286  -9.980   6.664
  216    HD3  ARG  30          1HD       ARG  30   8.745  -9.943   5.665
  217    HE   ARG  30           HE       ARG  30   7.004  -8.390   4.306
  218   HH11  ARG  30          1HH1      ARG  30   8.316  -8.211   7.589
  219   HH12  ARG  30          2HH1      ARG  30   8.015  -6.544   7.766
  220   HH21  ARG  30          1HH2      ARG  30   6.565  -6.193   4.553
  221   HH22  ARG  30          2HH2      ARG  30   7.018  -5.320   5.964
  222    H    LYS  31           H        LYS  31   3.338 -10.082   1.793
  223    HA   LYS  31           HA       LYS  31   1.155  -9.530   1.493
  224    HB2  LYS  31          2HB       LYS  31   0.505 -11.184   3.960
  225    HB3  LYS  31          1HB       LYS  31  -0.653 -10.581   2.791
  226    HG2  LYS  31          2HG       LYS  31   1.494 -12.623   2.238
  227    HG3  LYS  31          1HG       LYS  31  -0.204 -12.976   2.549
  228    HD2  LYS  31          2HD       LYS  31  -0.809 -11.694   0.538
  229    HD3  LYS  31          1HD       LYS  31   0.907 -11.402   0.232
  230    HE2  LYS  31          2HE       LYS  31   1.317 -13.772   0.020
  231    HE3  LYS  31          1HE       LYS  31  -0.353 -14.134   0.436
  232    HZ1  LYS  31          1HZ       LYS  31  -0.109 -14.273  -1.916
  233    HZ2  LYS  31          2HZ       LYS  31   0.637 -12.794  -2.021
  234    HZ3  LYS  31          3HZ       LYS  31  -0.996 -12.879  -1.611
  235    H    VAL  32           H        VAL  32   3.076  -8.189   3.300
  236    HA   VAL  32           HA       VAL  32   1.291  -6.746   5.113
  237    HB   VAL  32           HB       VAL  32   4.316  -6.618   4.830
  238   HG11  VAL  32          1HG1      VAL  32   4.290  -5.417   6.968
  239   HG12  VAL  32          2HG1      VAL  32   2.529  -5.452   6.966
  240   HG13  VAL  32          3HG1      VAL  32   3.392  -4.542   5.727
  241   HG21  VAL  32          1HG2      VAL  32   2.640  -8.007   6.917
  242   HG22  VAL  32          2HG2      VAL  32   4.398  -7.871   6.937
  243   HG23  VAL  32          3HG2      VAL  32   3.598  -8.790   5.662
  244    H    CYS  33           H        CYS  33   0.768  -4.717   4.841
  245    HA   CYS  33           HA       CYS  33   1.306  -3.441   2.338
  246    HB2  CYS  33          2HB       CYS  33  -0.532  -2.953   4.643
  247    HB3  CYS  33          1HB       CYS  33  -0.080  -1.595   3.619
  248    H    ASN  34           H        ASN  34   3.004  -2.245   2.025
  249    HA   ASN  34           HA       ASN  34   4.231  -0.909   4.344
  250    HB2  ASN  34          2HB       ASN  34   5.634  -1.763   1.808
  251    HB3  ASN  34          1HB       ASN  34   6.367  -1.132   3.268
  252   HD21  ASN  34          1HD2      ASN  34   5.081  -3.833   1.677
  253   HD22  ASN  34          2HD2      ASN  34   5.495  -5.041   2.840
  254    H    CYS  35           H        CYS  35   4.614   1.234   4.052
  255    HA   CYS  35           HA       CYS  35   3.996   2.337   1.389
  256    HB2  CYS  35          2HB       CYS  35   3.670   3.733   4.064
  257    HB3  CYS  35          1HB       CYS  35   3.276   4.379   2.491
  258    H    ARG  36           H        ARG  36   5.507   3.448   0.382
  259    HA   ARG  36           HA       ARG  36   7.434   5.113   1.411
  260    HB2  ARG  36          2HB       ARG  36   8.282   3.008   2.527
  261    HB3  ARG  36          1HB       ARG  36   8.633   2.384   0.923
  262    HG2  ARG  36          2HG       ARG  36  10.159   4.269   0.556
  263    HG3  ARG  36          1HG       ARG  36   9.832   4.814   2.203
  264    HD2  ARG  36          2HD       ARG  36  11.086   2.198   1.394
  265    HD3  ARG  36          1HD       ARG  36  11.899   3.571   2.152
  266    HE   ARG  36           HE       ARG  36   9.682   2.386   3.608
  267   HH11  ARG  36          1HH1      ARG  36  13.206   2.640   3.256
  268   HH12  ARG  36          2HH1      ARG  36  13.530   1.901   4.749
  269   HH21  ARG  36          1HH2      ARG  36  10.138   1.397   5.652
  270   HH22  ARG  36          2HH2      ARG  36  11.758   1.176   6.138
  271    H    ARG  37           H        ARG  37   6.958   2.481  -0.928
  272    HA   ARG  37           HA       ARG  37   8.494   3.954  -2.910
  273    HB2  ARG  37          2HB       ARG  37   7.622   1.071  -2.858
  274    HB3  ARG  37          1HB       ARG  37   8.720   1.806  -4.023
  275    HG2  ARG  37          2HG       ARG  37  10.320   2.230  -2.221
  276    HG3  ARG  37          1HG       ARG  37   9.172   1.506  -1.084
  277    HD2  ARG  37          2HD       ARG  37   9.340  -0.619  -2.275
  278    HD3  ARG  37          1HD       ARG  37  10.490   0.097  -3.407
  279    HE   ARG  37           HE       ARG  37  11.759   0.574  -1.192
  280   HH11  ARG  37          1HH1      ARG  37  10.102  -2.397  -2.137
  281   HH12  ARG  37          2HH1      ARG  37  11.002  -3.421  -1.143
  282   HH21  ARG  37          1HH2      ARG  37  13.059  -0.842   0.185
  283   HH22  ARG  37          2HH2      ARG  37  12.742  -2.517   0.205
  Start of MODEL   15
    1    H1   GLY   1          1HT       GLY   1  -9.077  -1.675   6.351
    2    H2   GLY   1          2HT       GLY   1  -8.928  -0.312   7.376
    3    H3   GLY   1          3HT       GLY   1  -7.691  -1.459   7.284
    4    HA2  GLY   1          1HA       GLY   1  -8.568   0.262   5.073
    5    HA3  GLY   1          2HA       GLY   1  -7.133   0.512   6.063
    6    H    ILE   2           H        ILE   2  -5.359  -0.942   5.856
    7    HA   ILE   2           HA       ILE   2  -4.999  -1.768   3.198
    8    HB   ILE   2           HB       ILE   2  -2.777  -2.631   4.104
    9   HG12  ILE   2          2HG1      ILE   2  -3.834  -1.244   6.588
   10   HG13  ILE   2          1HG1      ILE   2  -3.361  -2.935   6.450
   11   HG21  ILE   2          1HG2      ILE   2  -3.536   0.264   4.419
   12   HG22  ILE   2          2HG2      ILE   2  -3.007  -0.535   2.939
   13   HG23  ILE   2          3HG2      ILE   2  -1.890  -0.350   4.290
   14   HD11  ILE   2          1HD1      ILE   2  -1.739  -1.539   7.646
   15   HD12  ILE   2          2HD1      ILE   2  -1.537  -0.569   6.176
   16   HD13  ILE   2          3HD1      ILE   2  -1.054  -2.267   6.194
   17    H    THR   3           H        THR   3  -5.210  -3.604   2.248
   18    HA   THR   3           HA       THR   3  -5.357  -6.094   3.723
   19    HB   THR   3           HB       THR   3  -7.460  -5.218   1.710
   20    HG1  THR   3          1HG       THR   3  -7.251  -4.774   4.371
   21   HG21  THR   3          1HG2      THR   3  -7.056  -7.647   1.776
   22   HG22  THR   3          2HG2      THR   3  -8.644  -7.255   2.434
   23   HG23  THR   3          3HG2      THR   3  -7.311  -7.643   3.522
   24    H    CYS   4           H        CYS   4  -4.317  -7.662   2.498
   25    HA   CYS   4           HA       CYS   4  -3.515  -6.816  -0.176
   26    HB2  CYS   4          2HB       CYS   4  -2.170  -8.791   1.657
   27    HB3  CYS   4          1HB       CYS   4  -1.624  -8.315   0.043
   28    H    ASP   5           H        ASP   5  -4.939  -7.595  -1.524
   29    HA   ASP   5           HA       ASP   5  -5.569 -10.457  -1.410
   30    HB2  ASP   5          2HB       ASP   5  -7.474  -8.862  -1.744
   31    HB3  ASP   5          1HB       ASP   5  -6.680  -8.265  -3.197
   32    H    LEU   6           H        LEU   6  -4.057  -7.866  -3.186
   33    HA   LEU   6           HA       LEU   6  -2.770  -9.766  -4.974
   34    HB2  LEU   6          2HB       LEU   6  -3.262  -6.801  -5.273
   35    HB3  LEU   6          1HB       LEU   6  -2.470  -7.835  -6.443
   36    HG   LEU   6           HG       LEU   6  -5.368  -8.081  -5.628
   37   HD11  LEU   6          1HD1      LEU   6  -4.955  -5.991  -6.799
   38   HD12  LEU   6          2HD1      LEU   6  -5.863  -7.113  -7.811
   39   HD13  LEU   6          3HD1      LEU   6  -4.140  -6.864  -8.095
   40   HD21  LEU   6          1HD2      LEU   6  -3.799  -9.370  -7.860
   41   HD22  LEU   6          2HD2      LEU   6  -5.535  -9.538  -7.588
   42   HD23  LEU   6          3HD2      LEU   6  -4.390 -10.180  -6.409
   43    H    ILE   7           H        ILE   7  -0.604  -9.279  -5.332
   44    HA   ILE   7           HA       ILE   7   0.812  -7.845  -3.193
   45    HB   ILE   7           HB       ILE   7   1.854  -9.969  -5.113
   46   HG12  ILE   7          2HG1      ILE   7   1.260 -10.182  -2.151
   47   HG13  ILE   7          1HG1      ILE   7   0.291 -10.888  -3.438
   48   HG21  ILE   7          1HG2      ILE   7   3.594  -8.391  -4.448
   49   HG22  ILE   7          2HG2      ILE   7   3.877  -9.977  -3.731
   50   HG23  ILE   7          3HG2      ILE   7   3.214  -8.672  -2.748
   51   HD11  ILE   7          1HD1      ILE   7   2.172 -12.319  -4.063
   52   HD12  ILE   7          2HD1      ILE   7   1.716 -12.551  -2.375
   53   HD13  ILE   7          3HD1      ILE   7   3.143 -11.598  -2.780
   54    H    GLY   8           H        GLY   8   1.817  -6.008  -3.782
   55    HA2  GLY   8          2HA       GLY   8   2.869  -4.428  -5.097
   56    HA3  GLY   8          1HA       GLY   8   2.905  -5.596  -6.406
   57    H    ASN   9           H        ASN   9   0.133  -6.023  -6.671
   58    HA   ASN   9           HA       ASN   9  -0.596  -3.576  -8.150
   59    HB2  ASN   9          2HB       ASN   9  -1.771  -6.358  -8.168
   60    HB3  ASN   9          1HB       ASN   9  -2.427  -5.027  -9.098
   61   HD21  ASN   9          1HD2      ASN   9  -1.468  -7.499 -10.085
   62   HD22  ASN   9          2HD2      ASN   9  -0.167  -7.170 -11.160
   63    H    GLU  10           H        GLU  10  -0.826  -4.094  -5.253
   64    HA   GLU  10           HA       GLU  10  -3.648  -4.310  -4.914
   65    HB2  GLU  10          2HB       GLU  10  -2.269  -5.718  -3.583
   66    HB3  GLU  10          1HB       GLU  10  -1.412  -4.358  -2.900
   67    HG2  GLU  10          2HG       GLU  10  -3.042  -5.285  -1.417
   68    HG3  GLU  10          1HG       GLU  10  -3.412  -3.604  -1.865
   69    H    ARG  11           H        ARG  11  -3.993  -2.403  -5.909
   70    HA   ARG  11           HA       ARG  11  -3.237   0.159  -5.094
   71    HB2  ARG  11          2HB       ARG  11  -4.304  -0.150  -7.205
   72    HB3  ARG  11          1HB       ARG  11  -5.777  -0.712  -6.446
   73    HG2  ARG  11          2HG       ARG  11  -6.306   1.439  -5.601
   74    HG3  ARG  11          1HG       ARG  11  -4.704   2.059  -5.992
   75    HD2  ARG  11          2HD       ARG  11  -6.673   1.091  -8.046
   76    HD3  ARG  11          1HD       ARG  11  -6.529   2.777  -7.539
   77    HE   ARG  11           HE       ARG  11  -4.028   1.685  -8.301
   78   HH11  ARG  11          1HH1      ARG  11  -7.012   3.002  -9.657
   79   HH12  ARG  11          2HH1      ARG  11  -6.277   3.624 -11.056
   80   HH21  ARG  11          1HH2      ARG  11  -2.996   2.560 -10.168
   81   HH22  ARG  11          2HH2      ARG  11  -3.920   3.376 -11.347
   82    H    LEU  12           H        LEU  12  -5.689  -1.895  -3.786
   83    HA   LEU  12           HA       LEU  12  -7.004   0.076  -2.214
   84    HB2  LEU  12          2HB       LEU  12  -6.784  -2.899  -1.746
   85    HB3  LEU  12          1HB       LEU  12  -7.882  -1.832  -0.895
   86    HG   LEU  12           HG       LEU  12  -7.953  -2.412  -3.859
   87   HD11  LEU  12          1HD1      LEU  12  -9.749  -3.332  -1.628
   88   HD12  LEU  12          2HD1      LEU  12  -8.639  -4.333  -2.566
   89   HD13  LEU  12          3HD1      LEU  12 -10.034  -3.591  -3.348
   90   HD21  LEU  12          1HD2      LEU  12  -9.803  -0.782  -2.117
   91   HD22  LEU  12          2HD2      LEU  12 -10.107  -1.217  -3.794
   92   HD23  LEU  12          3HD2      LEU  12  -8.753  -0.165  -3.394
   93    H    CYS  13           H        CYS  13  -4.047  -1.593  -1.873
   94    HA   CYS  13           HA       CYS  13  -3.699  -0.802   0.879
   95    HB2  CYS  13          2HB       CYS  13  -2.745  -2.908   0.225
   96    HB3  CYS  13          1HB       CYS  13  -1.908  -2.166  -1.140
   97    H    VAL  14           H        VAL  14  -2.417  -0.069  -2.330
   98    HA   VAL  14           HA       VAL  14  -0.500   1.847  -1.736
   99    HB   VAL  14           HB       VAL  14  -2.307   1.933  -4.156
  100   HG11  VAL  14          1HG1      VAL  14  -0.367   2.928  -5.298
  101   HG12  VAL  14          2HG1      VAL  14   0.511   2.926  -3.768
  102   HG13  VAL  14          3HG1      VAL  14  -0.939   3.912  -3.950
  103   HG21  VAL  14          1HG2      VAL  14  -0.662   0.510  -5.302
  104   HG22  VAL  14          2HG2      VAL  14  -1.379  -0.319  -3.915
  105   HG23  VAL  14          3HG2      VAL  14   0.242   0.360  -3.797
  106    H    VAL  15           H        VAL  15  -3.984   2.284  -2.225
  107    HA   VAL  15           HA       VAL  15  -4.021   5.070  -2.241
  108    HB   VAL  15           HB       VAL  15  -5.910   3.634  -2.962
  109   HG11  VAL  15          1HG1      VAL  15  -7.550   2.822  -1.336
  110   HG12  VAL  15          2HG1      VAL  15  -6.443   3.276  -0.036
  111   HG13  VAL  15          3HG1      VAL  15  -5.979   2.029  -1.191
  112   HG21  VAL  15          1HG2      VAL  15  -6.627   5.747  -0.938
  113   HG22  VAL  15          2HG2      VAL  15  -7.726   5.095  -2.151
  114   HG23  VAL  15          3HG2      VAL  15  -6.299   6.004  -2.653
  115    H    HIS  16           H        HIS  16  -3.758   2.885   0.439
  116    HA   HIS  16           HA       HIS  16  -4.561   4.695   2.488
  117    HB2  HIS  16          2HB       HIS  16  -4.477   2.263   2.936
  118    HB3  HIS  16          1HB       HIS  16  -2.771   2.249   2.542
  119    HD1  HIS  16          1HD       HIS  16  -5.036   3.801   5.190
  120    HD2  HIS  16          2HD       HIS  16  -1.189   2.346   4.659
  121    HE1  HIS  16          1HE       HIS  16  -3.940   3.867   7.470
  122    H    CYS  17           H        CYS  17  -1.566   3.833   0.982
  123    HA   CYS  17           HA       CYS  17   0.142   5.509   2.531
  124    HB2  CYS  17          2HB       CYS  17   0.563   4.404  -0.234
  125    HB3  CYS  17          1HB       CYS  17   1.801   4.865   0.932
  126    H    LEU  18           H        LEU  18  -1.702   5.871  -0.443
  127    HA   LEU  18           HA       LEU  18  -0.544   8.369  -1.190
  128    HB2  LEU  18          2HB       LEU  18  -3.244   7.247  -1.940
  129    HB3  LEU  18          1HB       LEU  18  -2.418   8.560  -2.745
  130    HG   LEU  18           HG       LEU  18  -1.573   5.670  -2.700
  131   HD11  LEU  18          1HD1      LEU  18  -2.621   7.398  -4.928
  132   HD12  LEU  18          2HD1      LEU  18  -3.489   6.094  -4.122
  133   HD13  LEU  18          3HD1      LEU  18  -2.059   5.736  -5.090
  134   HD21  LEU  18          1HD2      LEU  18  -0.277   8.023  -4.080
  135   HD22  LEU  18          2HD2      LEU  18   0.191   6.333  -4.266
  136   HD23  LEU  18          3HD2      LEU  18   0.390   7.134  -2.709
  137    H    ALA  19           H        ALA  19  -3.248   7.404   0.814
  138    HA   ALA  19           HA       ALA  19  -4.289  10.029   1.151
  139    HB1  ALA  19          1HB       ALA  19  -5.689   8.048   1.459
  140    HB2  ALA  19          2HB       ALA  19  -5.656   9.020   2.933
  141    HB3  ALA  19          3HB       ALA  19  -4.692   7.547   2.820
  142    H    LYS  20           H        LYS  20  -2.010   8.022   2.926
  143    HA   LYS  20           HA       LYS  20  -1.630   9.878   5.060
  144    HB2  LYS  20          2HB       LYS  20   0.054   7.611   4.040
  145    HB3  LYS  20          1HB       LYS  20   0.593   8.648   5.352
  146    HG2  LYS  20          2HG       LYS  20  -1.383   8.001   6.651
  147    HG3  LYS  20          1HG       LYS  20  -1.883   6.947   5.327
  148    HD2  LYS  20          2HD       LYS  20  -0.013   5.548   5.599
  149    HD3  LYS  20          1HD       LYS  20   0.784   6.688   6.696
  150    HE2  LYS  20          2HE       LYS  20  -0.982   6.315   8.328
  151    HE3  LYS  20          1HE       LYS  20  -1.786   5.216   7.210
  152    HZ1  LYS  20          1HZ       LYS  20  -0.513   4.023   8.851
  153    HZ2  LYS  20          2HZ       LYS  20   0.892   4.821   8.409
  154    HZ3  LYS  20          3HZ       LYS  20   0.155   3.753   7.334
  155    H    GLY  21           H        GLY  21  -0.154   9.465   1.967
  156    HA2  GLY  21          2HA       GLY  21   0.748  11.403   0.841
  157    HA3  GLY  21          1HA       GLY  21   1.270  12.006   2.415
  158    H    PHE  22           H        PHE  22   1.566   8.919   0.775
  159    HA   PHE  22           HA       PHE  22   4.423   9.062   1.269
  160    HB2  PHE  22          2HB       PHE  22   2.505   6.870   1.500
  161    HB3  PHE  22          1HB       PHE  22   4.006   6.372   0.745
  162    HD1  PHE  22          1HD       PHE  22   6.140   6.695   1.934
  163    HD2  PHE  22          2HD       PHE  22   2.363   7.391   3.791
  164    HE1  PHE  22          1HE       PHE  22   7.195   6.598   4.050
  165    HE2  PHE  22          2HE       PHE  22   3.442   7.283   5.991
  166    HZ   PHE  22           HZ       PHE  22   5.874   6.893   6.146
  167    H    ARG  23           H        ARG  23   5.788   8.135  -0.190
  168    HA   ARG  23           HA       ARG  23   5.521   8.993  -2.839
  169    HB2  ARG  23          2HB       ARG  23   7.343   6.870  -1.715
  170    HB3  ARG  23          1HB       ARG  23   7.606   7.811  -3.174
  171    HG2  ARG  23          2HG       ARG  23   7.905   9.815  -1.904
  172    HG3  ARG  23          1HG       ARG  23   7.447   8.986  -0.417
  173    HD2  ARG  23          2HD       ARG  23   9.846   9.215  -0.552
  174    HD3  ARG  23          1HD       ARG  23   9.381   7.519  -0.640
  175    HE   ARG  23           HE       ARG  23  10.064   9.123  -3.004
  176   HH11  ARG  23          1HH1      ARG  23  10.188   6.067  -1.241
  177   HH12  ARG  23          2HH1      ARG  23  11.363   5.359  -2.234
  178   HH21  ARG  23          1HH2      ARG  23  11.628   8.157  -4.422
  179   HH22  ARG  23          2HH2      ARG  23  12.213   6.590  -4.144
  180    H    GLY  24           H        GLY  24   4.696   6.069  -1.183
  181    HA2  GLY  24          2HA       GLY  24   2.812   5.181  -2.902
  182    HA3  GLY  24          1HA       GLY  24   4.312   4.491  -3.515
  183    H    GLY  25           H        GLY  25   2.397   2.845  -2.701
  184    HA2  GLY  25          2HA       GLY  25   3.571   1.656  -0.347
  185    HA3  GLY  25          1HA       GLY  25   1.841   1.998  -0.338
  186    H    TRP  26           H        TRP  26   2.926  -0.575  -0.182
  187    HA   TRP  26           HA       TRP  26   1.571  -1.780  -2.395
  188    HB2  TRP  26          2HB       TRP  26   3.439  -2.923  -3.400
  189    HB3  TRP  26          1HB       TRP  26   3.834  -1.211  -3.376
  190    HD1  TRP  26           HD       TRP  26   5.240  -4.502  -2.508
  191    HE1  TRP  26          1HE       TRP  26   7.383  -4.267  -1.076
  192    HE3  TRP  26          3HE       TRP  26   4.888   0.415  -1.281
  193    HZ2  TRP  26          2HZ       TRP  26   8.705  -2.297   0.376
  194    HZ3  TRP  26          3HZ       TRP  26   6.575   1.416   0.147
  195    HH2  TRP  26           HH       TRP  26   8.498   0.063   0.963
  196    H    CYS  27           H        CYS  27   1.159  -3.927  -1.981
  197    HA   CYS  27           HA       CYS  27   1.870  -4.992   0.606
  198    HB2  CYS  27          2HB       CYS  27   0.342  -6.127  -1.739
  199    HB3  CYS  27          1HB       CYS  27   0.684  -7.037  -0.271
  200    H    ASP  28           H        ASP  28   3.742  -5.893   0.856
  201    HA   ASP  28           HA       ASP  28   5.329  -6.593  -1.467
  202    HB2  ASP  28          2HB       ASP  28   6.214  -5.462   0.687
  203    HB3  ASP  28          1HB       ASP  28   6.123  -7.064   1.408
  204    H    SER  29           H        SER  29   6.722  -8.820  -0.779
  205    HA   SER  29           HA       SER  29   4.950 -10.825  -1.624
  206    HB2  SER  29          2HB       SER  29   7.729 -11.107  -0.510
  207    HB3  SER  29          1HB       SER  29   6.906 -12.224  -1.607
  208    HG   SER  29           HG       SER  29   7.518 -11.033  -3.199
  209    H    ARG  30           H        ARG  30   5.798  -9.715   1.496
  210    HA   ARG  30           HA       ARG  30   5.074 -12.233   2.777
  211    HB2  ARG  30          2HB       ARG  30   5.862  -9.628   4.112
  212    HB3  ARG  30          1HB       ARG  30   5.608 -11.159   4.929
  213    HG2  ARG  30          2HG       ARG  30   7.870 -11.213   4.795
  214    HG3  ARG  30          1HG       ARG  30   7.512 -11.920   3.218
  215    HD2  ARG  30          2HD       ARG  30   9.180 -10.225   2.909
  216    HD3  ARG  30          1HD       ARG  30   7.656  -9.612   2.255
  217    HE   ARG  30           HE       ARG  30   7.894  -8.833   4.945
  218   HH11  ARG  30          1HH1      ARG  30   9.162  -7.955   1.748
  219   HH12  ARG  30          2HH1      ARG  30   9.743  -6.450   2.286
  220   HH21  ARG  30          1HH2      ARG  30   8.656  -6.740   5.607
  221   HH22  ARG  30          2HH2      ARG  30   9.422  -5.729   4.471
  222    H    LYS  31           H        LYS  31   3.266 -10.114   1.333
  223    HA   LYS  31           HA       LYS  31   1.093  -9.478   1.385
  224    HB2  LYS  31          2HB       LYS  31   0.859 -11.394   3.730
  225    HB3  LYS  31          1HB       LYS  31  -0.494 -10.652   2.904
  226    HG2  LYS  31          2HG       LYS  31   1.454 -12.626   1.709
  227    HG3  LYS  31          1HG       LYS  31  -0.195 -12.965   2.227
  228    HD2  LYS  31          2HD       LYS  31  -1.001 -11.319   0.530
  229    HD3  LYS  31          1HD       LYS  31   0.661 -11.147  -0.024
  230    HE2  LYS  31          2HE       LYS  31  -0.476 -12.703  -1.476
  231    HE3  LYS  31          1HE       LYS  31   0.716 -13.578  -0.520
  232    HZ1  LYS  31          1HZ       LYS  31  -2.213 -13.491  -0.008
  233    HZ2  LYS  31          2HZ       LYS  31  -1.111 -14.317   0.944
  234    HZ3  LYS  31          3HZ       LYS  31  -1.369 -14.790  -0.644
  235    H    VAL  32           H        VAL  32   3.091  -8.079   2.841
  236    HA   VAL  32           HA       VAL  32   1.510  -6.756   4.957
  237    HB   VAL  32           HB       VAL  32   4.524  -6.775   4.594
  238   HG11  VAL  32          1HG1      VAL  32   2.848  -5.666   6.838
  239   HG12  VAL  32          2HG1      VAL  32   3.726  -4.725   5.634
  240   HG13  VAL  32          3HG1      VAL  32   4.611  -5.711   6.797
  241   HG21  VAL  32          1HG2      VAL  32   2.828  -8.227   6.619
  242   HG22  VAL  32          2HG2      VAL  32   4.585  -8.139   6.649
  243   HG23  VAL  32          3HG2      VAL  32   3.768  -8.963   5.320
  244    H    CYS  33           H        CYS  33   0.971  -4.776   4.684
  245    HA   CYS  33           HA       CYS  33   1.659  -3.386   2.292
  246    HB2  CYS  33          2HB       CYS  33  -0.254  -2.833   4.554
  247    HB3  CYS  33          1HB       CYS  33   0.276  -1.548   3.477
  248    H    ASN  34           H        ASN  34   3.221  -2.066   2.032
  249    HA   ASN  34           HA       ASN  34   4.436  -0.761   4.381
  250    HB2  ASN  34          2HB       ASN  34   5.864  -1.539   1.824
  251    HB3  ASN  34          1HB       ASN  34   6.583  -0.821   3.249
  252   HD21  ASN  34          1HD2      ASN  34   5.422  -3.685   1.760
  253   HD22  ASN  34          2HD2      ASN  34   6.040  -4.794   2.934
  254    H    CYS  35           H        CYS  35   4.574   1.435   4.145
  255    HA   CYS  35           HA       CYS  35   4.114   2.543   1.438
  256    HB2  CYS  35          2HB       CYS  35   3.607   3.928   4.094
  257    HB3  CYS  35          1HB       CYS  35   3.158   4.505   2.505
  258    H    ARG  36           H        ARG  36   5.960   3.194   0.587
  259    HA   ARG  36           HA       ARG  36   7.858   4.789   2.053
  260    HB2  ARG  36          2HB       ARG  36   8.707   2.038   1.136
  261    HB3  ARG  36          1HB       ARG  36   9.733   3.321   1.740
  262    HG2  ARG  36          2HG       ARG  36   8.834   3.072   3.946
  263    HG3  ARG  36          1HG       ARG  36   7.611   1.947   3.363
  264    HD2  ARG  36          2HD       ARG  36   9.521   0.444   2.661
  265    HD3  ARG  36          1HD       ARG  36  10.581   1.524   3.573
  266    HE   ARG  36           HE       ARG  36   8.734   1.034   5.349
  267   HH11  ARG  36          1HH1      ARG  36  10.615  -1.209   3.351
  268   HH12  ARG  36          2HH1      ARG  36  10.358  -2.543   4.395
  269   HH21  ARG  36          1HH2      ARG  36   8.395  -0.836   6.760
  270   HH22  ARG  36          2HH2      ARG  36   9.110  -2.311   6.338
  271    H    ARG  37           H        ARG  37   7.385   2.565  -0.684
  272    HA   ARG  37           HA       ARG  37   9.301   3.985  -2.304
  273    HB2  ARG  37          2HB       ARG  37   7.900   1.349  -2.697
  274    HB3  ARG  37          1HB       ARG  37   9.170   1.989  -3.744
  275    HG2  ARG  37          2HG       ARG  37  10.624   1.982  -1.686
  276    HG3  ARG  37          1HG       ARG  37   9.284   1.123  -0.910
  277    HD2  ARG  37          2HD       ARG  37  10.893  -0.508  -1.711
  278    HD3  ARG  37          1HD       ARG  37   9.409  -0.613  -2.653
  279    HE   ARG  37           HE       ARG  37  11.337   1.109  -3.849
  280   HH11  ARG  37          1HH1      ARG  37  10.279  -2.244  -3.594
  281   HH12  ARG  37          2HH1      ARG  37  11.176  -2.789  -4.927
  282   HH21  ARG  37          1HH2      ARG  37  12.588   0.339  -5.741
  283   HH22  ARG  37          2HH2      ARG  37  12.455  -1.304  -6.187
  Start of MODEL   16
    1    H1   GLY   1          1HT       GLY   1  -8.982  -3.201   7.180
    2    H2   GLY   1          2HT       GLY   1  -9.853  -2.232   6.130
    3    H3   GLY   1          3HT       GLY   1  -9.806  -1.861   7.792
    4    HA2  GLY   1          1HA       GLY   1  -8.352  -0.403   6.521
    5    HA3  GLY   1          2HA       GLY   1  -7.453  -1.428   7.643
    6    H    ILE   2           H        ILE   2  -5.552  -1.269   6.351
    7    HA   ILE   2           HA       ILE   2  -5.587  -2.034   3.661
    8    HB   ILE   2           HB       ILE   2  -3.074  -2.211   4.031
    9   HG12  ILE   2          2HG1      ILE   2  -3.887  -1.140   6.765
   10   HG13  ILE   2          1HG1      ILE   2  -2.980  -2.600   6.418
   11   HG21  ILE   2          1HG2      ILE   2  -4.096  -0.324   2.992
   12   HG22  ILE   2          2HG2      ILE   2  -2.834   0.237   4.089
   13   HG23  ILE   2          3HG2      ILE   2  -4.529   0.359   4.555
   14   HD11  ILE   2          1HD1      ILE   2  -1.107  -1.212   5.622
   15   HD12  ILE   2          2HD1      ILE   2  -1.543  -0.871   7.291
   16   HD13  ILE   2          3HD1      ILE   2  -2.044   0.230   6.009
   17    H    THR   3           H        THR   3  -5.504  -3.908   2.756
   18    HA   THR   3           HA       THR   3  -4.709  -6.313   4.202
   19    HB   THR   3           HB       THR   3  -7.196  -6.000   2.521
   20    HG1  THR   3          1HG       THR   3  -6.782  -5.890   5.306
   21   HG21  THR   3          1HG2      THR   3  -6.264  -8.329   4.226
   22   HG22  THR   3          2HG2      THR   3  -6.252  -8.265   2.466
   23   HG23  THR   3          3HG2      THR   3  -7.786  -8.270   3.336
   24    H    CYS   4           H        CYS   4  -3.833  -7.832   2.652
   25    HA   CYS   4           HA       CYS   4  -3.551  -6.692  -0.017
   26    HB2  CYS   4          2HB       CYS   4  -1.548  -8.305   1.525
   27    HB3  CYS   4          1HB       CYS   4  -1.341  -7.652  -0.100
   28    H    ASP   5           H        ASP   5  -4.867  -7.822  -1.242
   29    HA   ASP   5           HA       ASP   5  -4.886 -10.732  -0.975
   30    HB2  ASP   5          2HB       ASP   5  -7.085  -9.587  -1.261
   31    HB3  ASP   5          1HB       ASP   5  -6.489  -8.900  -2.772
   32    H    LEU   6           H        LEU   6  -3.947  -8.036  -2.956
   33    HA   LEU   6           HA       LEU   6  -2.559  -9.810  -4.782
   34    HB2  LEU   6          2HB       LEU   6  -3.354  -6.912  -5.003
   35    HB3  LEU   6          1HB       LEU   6  -2.451  -7.797  -6.218
   36    HG   LEU   6           HG       LEU   6  -5.292  -8.354  -5.368
   37   HD11  LEU   6          1HD1      LEU   6  -5.098  -6.270  -6.601
   38   HD12  LEU   6          2HD1      LEU   6  -5.884  -7.503  -7.585
   39   HD13  LEU   6          3HD1      LEU   6  -4.195  -7.091  -7.874
   40   HD21  LEU   6          1HD2      LEU   6  -4.168 -10.387  -6.094
   41   HD22  LEU   6          2HD2      LEU   6  -3.607  -9.575  -7.554
   42   HD23  LEU   6          3HD2      LEU   6  -5.328  -9.864  -7.315
   43    H    ILE   7           H        ILE   7  -0.492  -9.152  -5.309
   44    HA   ILE   7           HA       ILE   7   0.978  -7.776  -3.171
   45    HB   ILE   7           HB       ILE   7   1.933  -9.855  -5.175
   46   HG12  ILE   7          2HG1      ILE   7   1.583  -9.989  -2.177
   47   HG13  ILE   7          1HG1      ILE   7   0.533 -10.741  -3.359
   48   HG21  ILE   7          1HG2      ILE   7   3.489  -8.491  -2.974
   49   HG22  ILE   7          2HG2      ILE   7   3.703  -8.232  -4.703
   50   HG23  ILE   7          3HG2      ILE   7   4.081  -9.804  -3.994
   51   HD11  ILE   7          1HD1      ILE   7   2.072 -12.344  -2.331
   52   HD12  ILE   7          2HD1      ILE   7   3.439 -11.413  -2.959
   53   HD13  ILE   7          3HD1      ILE   7   2.325 -12.205  -4.068
   54    H    GLY   8           H        GLY   8   1.730  -5.865  -3.671
   55    HA2  GLY   8          2HA       GLY   8   2.598  -4.079  -4.863
   56    HA3  GLY   8          1HA       GLY   8   2.799  -5.165  -6.228
   57    H    ASN   9           H        ASN   9   0.074  -5.903  -6.404
   58    HA   ASN   9           HA       ASN   9  -0.861  -3.636  -8.020
   59    HB2  ASN   9          2HB       ASN   9  -1.702  -6.532  -7.930
   60    HB3  ASN   9          1HB       ASN   9  -2.434  -5.334  -8.982
   61   HD21  ASN   9          1HD2      ASN   9   0.348  -7.362  -8.448
   62   HD22  ASN   9          2HD2      ASN   9   1.086  -7.026  -9.961
   63    H    GLU  10           H        GLU  10  -1.143  -4.292  -5.075
   64    HA   GLU  10           HA       GLU  10  -3.972  -4.491  -4.750
   65    HB2  GLU  10          2HB       GLU  10  -2.509  -5.782  -3.353
   66    HB3  GLU  10          1HB       GLU  10  -1.686  -4.355  -2.783
   67    HG2  GLU  10          2HG       GLU  10  -3.174  -5.167  -1.159
   68    HG3  GLU  10          1HG       GLU  10  -3.739  -3.608  -1.791
   69    H    ARG  11           H        ARG  11  -4.271  -2.610  -5.875
   70    HA   ARG  11           HA       ARG  11  -3.396  -0.021  -5.324
   71    HB2  ARG  11          2HB       ARG  11  -4.563  -0.665  -7.382
   72    HB3  ARG  11          1HB       ARG  11  -6.050  -0.847  -6.469
   73    HG2  ARG  11          2HG       ARG  11  -6.086   1.506  -5.962
   74    HG3  ARG  11          1HG       ARG  11  -4.537   1.733  -6.772
   75    HD2  ARG  11          2HD       ARG  11  -7.064   0.750  -8.080
   76    HD3  ARG  11          1HD       ARG  11  -6.432   2.394  -8.174
   77    HE   ARG  11           HE       ARG  11  -4.415   0.712  -8.992
   78   HH11  ARG  11          1HH1      ARG  11  -7.646   1.554 -10.076
   79   HH12  ARG  11          2HH1      ARG  11  -7.354   1.323 -11.735
   80   HH21  ARG  11          1HH2      ARG  11  -3.925   0.430 -11.259
   81   HH22  ARG  11          2HH2      ARG  11  -5.114   0.674 -12.440
   82    H    LEU  12           H        LEU  12  -6.015  -1.828  -3.873
   83    HA   LEU  12           HA       LEU  12  -7.269   0.294  -2.497
   84    HB2  LEU  12          2HB       LEU  12  -7.077  -2.618  -1.763
   85    HB3  LEU  12          1HB       LEU  12  -8.173  -1.475  -1.013
   86    HG   LEU  12           HG       LEU  12  -8.241  -2.342  -3.906
   87   HD11  LEU  12          1HD1      LEU  12 -10.298  -3.485  -3.281
   88   HD12  LEU  12          2HD1      LEU  12 -10.049  -3.008  -1.603
   89   HD13  LEU  12          3HD1      LEU  12  -8.915  -4.112  -2.384
   90   HD21  LEU  12          1HD2      LEU  12 -10.384  -1.153  -3.971
   91   HD22  LEU  12          2HD2      LEU  12  -9.038  -0.068  -3.652
   92   HD23  LEU  12          3HD2      LEU  12 -10.102  -0.564  -2.332
   93    H    CYS  13           H        CYS  13  -4.366  -1.446  -1.917
   94    HA   CYS  13           HA       CYS  13  -4.121  -0.428   0.766
   95    HB2  CYS  13          2HB       CYS  13  -3.289  -2.637   0.425
   96    HB3  CYS  13          1HB       CYS  13  -2.354  -2.133  -0.983
   97    H    VAL  14           H        VAL  14  -2.686   0.017  -2.426
   98    HA   VAL  14           HA       VAL  14  -0.633   1.814  -1.856
   99    HB   VAL  14           HB       VAL  14  -2.364   1.838  -4.328
  100   HG11  VAL  14          1HG1      VAL  14  -0.345   2.687  -5.474
  101   HG12  VAL  14          2HG1      VAL  14   0.480   2.753  -3.916
  102   HG13  VAL  14          3HG1      VAL  14  -0.920   3.778  -4.212
  103   HG21  VAL  14          1HG2      VAL  14  -1.544  -0.422  -3.901
  104   HG22  VAL  14          2HG2      VAL  14   0.105   0.187  -3.772
  105   HG23  VAL  14          3HG2      VAL  14  -0.751   0.271  -5.315
  106    H    VAL  15           H        VAL  15  -4.049   2.457  -2.511
  107    HA   VAL  15           HA       VAL  15  -3.919   5.243  -2.629
  108    HB   VAL  15           HB       VAL  15  -5.874   3.889  -3.354
  109   HG11  VAL  15          1HG1      VAL  15  -6.084   2.349  -1.545
  110   HG12  VAL  15          2HG1      VAL  15  -7.596   3.248  -1.720
  111   HG13  VAL  15          3HG1      VAL  15  -6.468   3.657  -0.428
  112   HG21  VAL  15          1HG2      VAL  15  -6.120   6.292  -3.114
  113   HG22  VAL  15          2HG2      VAL  15  -6.543   6.096  -1.413
  114   HG23  VAL  15          3HG2      VAL  15  -7.616   5.473  -2.667
  115    H    HIS  16           H        HIS  16  -3.890   3.123   0.128
  116    HA   HIS  16           HA       HIS  16  -4.599   5.080   2.079
  117    HB2  HIS  16          2HB       HIS  16  -4.886   2.777   2.680
  118    HB3  HIS  16          1HB       HIS  16  -3.235   2.386   2.239
  119    HD1  HIS  16          1HD       HIS  16  -5.069   4.397   4.931
  120    HD2  HIS  16          2HD       HIS  16  -1.513   2.363   4.272
  121    HE1  HIS  16          1HE       HIS  16  -3.819   4.395   7.150
  122    H    CYS  17           H        CYS  17  -1.614   3.841   0.774
  123    HA   CYS  17           HA       CYS  17   0.196   5.338   2.371
  124    HB2  CYS  17          2HB       CYS  17   0.548   4.412  -0.478
  125    HB3  CYS  17          1HB       CYS  17   1.818   4.742   0.693
  126    H    LEU  18           H        LEU  18  -1.395   5.967  -0.713
  127    HA   LEU  18           HA       LEU  18  -0.135   8.468  -1.184
  128    HB2  LEU  18          2HB       LEU  18  -2.784   7.461  -2.217
  129    HB3  LEU  18          1HB       LEU  18  -1.853   8.783  -2.888
  130    HG   LEU  18           HG       LEU  18  -1.057   5.872  -2.872
  131   HD11  LEU  18          1HD1      LEU  18  -2.835   6.355  -4.443
  132   HD12  LEU  18          2HD1      LEU  18  -1.325   6.003  -5.282
  133   HD13  LEU  18          3HD1      LEU  18  -1.883   7.670  -5.135
  134   HD21  LEU  18          1HD2      LEU  18   0.376   8.272  -4.014
  135   HD22  LEU  18          2HD2      LEU  18   0.823   6.593  -4.302
  136   HD23  LEU  18          3HD2      LEU  18   0.925   7.263  -2.674
  137    H    ALA  19           H        ALA  19  -3.041   7.512   0.527
  138    HA   ALA  19           HA       ALA  19  -4.089  10.096   0.960
  139    HB1  ALA  19          1HB       ALA  19  -5.457   9.036   2.693
  140    HB2  ALA  19          2HB       ALA  19  -4.427   7.607   2.635
  141    HB3  ALA  19          3HB       ALA  19  -5.408   8.037   1.238
  142    H    LYS  20           H        LYS  20  -1.895   8.056   2.815
  143    HA   LYS  20           HA       LYS  20  -1.626   9.874   4.995
  144    HB2  LYS  20          2HB       LYS  20   0.296   7.716   4.109
  145    HB3  LYS  20          1HB       LYS  20   0.312   8.527   5.668
  146    HG2  LYS  20          2HG       LYS  20  -1.911   7.564   6.155
  147    HG3  LYS  20          1HG       LYS  20  -1.863   6.730   4.606
  148    HD2  LYS  20          2HD       LYS  20  -1.202   5.151   6.240
  149    HD3  LYS  20          1HD       LYS  20   0.265   5.628   5.391
  150    HE2  LYS  20          2HE       LYS  20   0.731   5.532   7.754
  151    HE3  LYS  20          1HE       LYS  20   0.740   7.214   7.230
  152    HZ1  LYS  20          1HZ       LYS  20  -0.423   6.933   9.320
  153    HZ2  LYS  20          2HZ       LYS  20  -1.524   5.876   8.605
  154    HZ3  LYS  20          3HZ       LYS  20  -1.477   7.484   8.135
  155    H    GLY  21           H        GLY  21  -0.099   9.544   1.922
  156    HA2  GLY  21          2HA       GLY  21   0.739  11.594   0.902
  157    HA3  GLY  21          1HA       GLY  21   1.364  12.055   2.480
  158    H    PHE  22           H        PHE  22   1.609   8.856   1.200
  159    HA   PHE  22           HA       PHE  22   4.470   8.983   1.389
  160    HB2  PHE  22          2HB       PHE  22   2.452   6.864   1.225
  161    HB3  PHE  22          1HB       PHE  22   4.006   6.423   0.556
  162    HD1  PHE  22          1HD       PHE  22   6.029   6.838   1.976
  163    HD2  PHE  22          2HD       PHE  22   2.064   6.802   3.492
  164    HE1  PHE  22          1HE       PHE  22   6.908   6.407   4.145
  165    HE2  PHE  22          2HE       PHE  22   2.939   6.358   5.748
  166    HZ   PHE  22           HZ       PHE  22   5.374   6.161   6.097
  167    H    ARG  23           H        ARG  23   5.833   8.071  -0.225
  168    HA   ARG  23           HA       ARG  23   5.435   9.242  -2.791
  169    HB2  ARG  23          2HB       ARG  23   7.473   7.127  -2.128
  170    HB3  ARG  23          1HB       ARG  23   7.595   8.427  -3.300
  171    HG2  ARG  23          2HG       ARG  23   7.724  10.050  -1.487
  172    HG3  ARG  23          1HG       ARG  23   7.610   8.733  -0.315
  173    HD2  ARG  23          2HD       ARG  23   9.896   9.193  -0.475
  174    HD3  ARG  23          1HD       ARG  23   9.658   7.763  -1.472
  175    HE   ARG  23           HE       ARG  23   9.853  10.488  -2.526
  176   HH11  ARG  23          1HH1      ARG  23  10.388   7.007  -3.002
  177   HH12  ARG  23          2HH1      ARG  23  11.546   7.237  -4.216
  178   HH21  ARG  23          1HH2      ARG  23  11.435  10.754  -4.292
  179   HH22  ARG  23          2HH2      ARG  23  12.088   9.350  -4.998
  180    H    GLY  24           H        GLY  24   4.711   6.246  -1.285
  181    HA2  GLY  24          2HA       GLY  24   3.003   5.294  -3.152
  182    HA3  GLY  24          1HA       GLY  24   4.582   4.706  -3.661
  183    H    GLY  25           H        GLY  25   2.672   2.951  -3.059
  184    HA2  GLY  25          2HA       GLY  25   3.643   1.740  -0.614
  185    HA3  GLY  25          1HA       GLY  25   1.922   2.056  -0.754
  186    H    TRP  26           H        TRP  26   3.163  -0.489  -0.508
  187    HA   TRP  26           HA       TRP  26   1.929  -1.813  -2.707
  188    HB2  TRP  26          2HB       TRP  26   3.861  -2.888  -3.662
  189    HB3  TRP  26          1HB       TRP  26   4.159  -1.161  -3.679
  190    HD1  TRP  26           HD       TRP  26   5.914  -4.258  -3.028
  191    HE1  TRP  26          1HE       TRP  26   8.037  -3.890  -1.579
  192    HE3  TRP  26          3HE       TRP  26   4.953   0.409  -1.255
  193    HZ2  TRP  26          2HZ       TRP  26   9.122  -1.926   0.066
  194    HZ3  TRP  26          3HZ       TRP  26   6.538   1.476   0.255
  195    HH2  TRP  26           HH       TRP  26   8.613   0.332   0.903
  196    H    CYS  27           H        CYS  27   1.385  -3.812  -2.124
  197    HA   CYS  27           HA       CYS  27   2.158  -4.807   0.465
  198    HB2  CYS  27          2HB       CYS  27   0.505  -5.990  -1.761
  199    HB3  CYS  27          1HB       CYS  27   0.749  -6.732  -0.181
  200    H    ASP  28           H        ASP  28   3.888  -6.035   0.715
  201    HA   ASP  28           HA       ASP  28   5.224  -6.847  -1.764
  202    HB2  ASP  28          2HB       ASP  28   7.262  -7.074  -0.556
  203    HB3  ASP  28          1HB       ASP  28   6.490  -5.646   0.107
  204    H    SER  29           H        SER  29   6.668  -9.085  -1.045
  205    HA   SER  29           HA       SER  29   4.941 -11.172  -1.578
  206    HB2  SER  29          2HB       SER  29   7.588 -11.432  -0.185
  207    HB3  SER  29          1HB       SER  29   6.858 -12.529  -1.351
  208    HG   SER  29           HG       SER  29   8.547 -11.087  -2.108
  209    H    ARG  30           H        ARG  30   5.742  -9.710   1.435
  210    HA   ARG  30           HA       ARG  30   5.064 -11.847   3.214
  211    HB2  ARG  30          2HB       ARG  30   5.325  -8.882   3.565
  212    HB3  ARG  30          1HB       ARG  30   4.985  -9.987   4.881
  213    HG2  ARG  30          2HG       ARG  30   7.096 -10.905   4.822
  214    HG3  ARG  30          1HG       ARG  30   7.389 -10.376   3.161
  215    HD2  ARG  30          2HD       ARG  30   8.631  -9.061   4.855
  216    HD3  ARG  30          1HD       ARG  30   7.560  -8.093   3.851
  217    HE   ARG  30           HE       ARG  30   6.898  -8.957   6.581
  218   HH11  ARG  30          1HH1      ARG  30   6.565  -6.562   3.990
  219   HH12  ARG  30          2HH1      ARG  30   6.249  -5.251   5.018
  220   HH21  ARG  30          1HH2      ARG  30   6.291  -7.197   7.998
  221   HH22  ARG  30          2HH2      ARG  30   6.056  -5.628   7.384
  222    H    LYS  31           H        LYS  31   3.140  -9.912   1.215
  223    HA   LYS  31           HA       LYS  31   0.920  -9.454   1.061
  224    HB2  LYS  31          2HB       LYS  31   0.698 -11.426   3.360
  225    HB3  LYS  31          1HB       LYS  31  -0.692 -10.696   2.579
  226    HG2  LYS  31          2HG       LYS  31   1.334 -12.379   1.130
  227    HG3  LYS  31          1HG       LYS  31  -0.127 -13.035   1.868
  228    HD2  LYS  31          2HD       LYS  31  -1.458 -11.467   0.443
  229    HD3  LYS  31          1HD       LYS  31   0.043 -11.004  -0.362
  230    HE2  LYS  31          2HE       LYS  31   0.389 -13.240  -1.152
  231    HE3  LYS  31          1HE       LYS  31  -0.962 -13.839  -0.195
  232    HZ1  LYS  31          1HZ       LYS  31  -1.598 -13.612  -2.475
  233    HZ2  LYS  31          2HZ       LYS  31  -1.162 -12.012  -2.554
  234    HZ3  LYS  31          3HZ       LYS  31  -2.454 -12.501  -1.561
  235    H    VAL  32           H        VAL  32   2.798  -8.057   2.816
  236    HA   VAL  32           HA       VAL  32   0.923  -6.759   4.667
  237    HB   VAL  32           HB       VAL  32   3.963  -6.789   4.732
  238   HG11  VAL  32          1HG1      VAL  32   3.047  -4.704   5.628
  239   HG12  VAL  32          2HG1      VAL  32   3.773  -5.684   6.902
  240   HG13  VAL  32          3HG1      VAL  32   2.019  -5.625   6.729
  241   HG21  VAL  32          1HG2      VAL  32   3.037  -8.950   5.372
  242   HG22  VAL  32          2HG2      VAL  32   1.985  -8.165   6.548
  243   HG23  VAL  32          3HG2      VAL  32   3.735  -8.133   6.770
  244    H    CYS  33           H        CYS  33   0.570  -4.701   4.512
  245    HA   CYS  33           HA       CYS  33   1.200  -3.310   2.128
  246    HB2  CYS  33          2HB       CYS  33  -0.434  -2.714   4.587
  247    HB3  CYS  33          1HB       CYS  33   0.058  -1.411   3.503
  248    H    ASN  34           H        ASN  34   2.984  -2.229   1.782
  249    HA   ASN  34           HA       ASN  34   4.365  -1.013   4.082
  250    HB2  ASN  34          2HB       ASN  34   5.595  -1.787   1.427
  251    HB3  ASN  34          1HB       ASN  34   6.433  -1.184   2.841
  252   HD21  ASN  34          1HD2      ASN  34   5.051  -3.837   1.280
  253   HD22  ASN  34          2HD2      ASN  34   5.591  -5.095   2.333
  254    H    CYS  35           H        CYS  35   4.288   1.151   3.970
  255    HA   CYS  35           HA       CYS  35   4.132   2.415   1.298
  256    HB2  CYS  35          2HB       CYS  35   3.368   3.623   3.974
  257    HB3  CYS  35          1HB       CYS  35   3.043   4.286   2.384
  258    H    ARG  36           H        ARG  36   5.932   3.484   0.698
  259    HA   ARG  36           HA       ARG  36   7.590   4.955   2.403
  260    HB2  ARG  36          2HB       ARG  36   8.108   2.799   3.493
  261    HB3  ARG  36          1HB       ARG  36   8.653   2.161   1.956
  262    HG2  ARG  36          2HG       ARG  36  10.464   3.771   1.898
  263    HG3  ARG  36          1HG       ARG  36   9.919   4.460   3.430
  264    HD2  ARG  36          2HD       ARG  36  10.820   1.609   3.015
  265    HD3  ARG  36          1HD       ARG  36  11.811   2.890   3.710
  266    HE   ARG  36           HE       ARG  36   9.652   2.924   5.289
  267   HH11  ARG  36          1HH1      ARG  36  11.743   0.222   4.265
  268   HH12  ARG  36          2HH1      ARG  36  11.490  -0.646   5.714
  269   HH21  ARG  36          1HH2      ARG  36   9.374   1.696   7.250
  270   HH22  ARG  36          2HH2      ARG  36  10.157   0.187   7.409
  271    H    ARG  37           H        ARG  37   7.726   2.681  -0.286
  272    HA   ARG  37           HA       ARG  37  10.039   3.741  -1.380
  273    HB2  ARG  37          2HB       ARG  37   9.767   2.155  -3.170
  274    HB3  ARG  37          1HB       ARG  37   9.191   1.477  -1.640
  275    HG2  ARG  37          2HG       ARG  37   7.009   1.602  -2.225
  276    HG3  ARG  37          1HG       ARG  37   7.311   2.592  -3.664
  277    HD2  ARG  37          2HD       ARG  37   8.151  -0.276  -3.187
  278    HD3  ARG  37          1HD       ARG  37   6.880   0.258  -4.280
  279    HE   ARG  37           HE       ARG  37   9.061   1.565  -5.168
  280   HH11  ARG  37          1HH1      ARG  37   8.411  -1.864  -4.502
  281   HH12  ARG  37          2HH1      ARG  37   9.461  -2.440  -5.701
  282   HH21  ARG  37          1HH2      ARG  37  10.563   0.741  -6.824
  283   HH22  ARG  37          2HH2      ARG  37  10.687  -0.954  -7.027
  Start of MODEL   17
    1    H1   GLY   1          1HT       GLY   1  -9.674  -1.418   5.038
    2    H2   GLY   1          2HT       GLY   1 -10.123  -1.781   6.620
    3    H3   GLY   1          3HT       GLY   1  -9.692  -3.022   5.549
    4    HA2  GLY   1          1HA       GLY   1  -7.868  -0.909   6.509
    5    HA3  GLY   1          2HA       GLY   1  -7.911  -2.572   7.090
    6    H    ILE   2           H        ILE   2  -5.601  -1.557   6.026
    7    HA   ILE   2           HA       ILE   2  -5.426  -2.223   3.265
    8    HB   ILE   2           HB       ILE   2  -2.921  -2.064   3.626
    9   HG12  ILE   2          2HG1      ILE   2  -3.791  -1.144   6.380
   10   HG13  ILE   2          1HG1      ILE   2  -2.860  -2.592   6.031
   11   HG21  ILE   2          1HG2      ILE   2  -4.604   0.299   4.396
   12   HG22  ILE   2          2HG2      ILE   2  -4.246  -0.237   2.758
   13   HG23  ILE   2          3HG2      ILE   2  -2.950   0.366   3.793
   14   HD11  ILE   2          1HD1      ILE   2  -1.014  -1.182   5.227
   15   HD12  ILE   2          2HD1      ILE   2  -1.441  -0.832   6.900
   16   HD13  ILE   2          3HD1      ILE   2  -1.965   0.252   5.611
   17    H    THR   3           H        THR   3  -5.306  -4.076   2.421
   18    HA   THR   3           HA       THR   3  -4.326  -6.396   3.905
   19    HB   THR   3           HB       THR   3  -6.859  -6.162   2.288
   20    HG1  THR   3          1HG       THR   3  -7.428  -5.247   4.138
   21   HG21  THR   3          1HG2      THR   3  -5.798  -8.452   3.963
   22   HG22  THR   3          2HG2      THR   3  -5.910  -8.418   2.204
   23   HG23  THR   3          3HG2      THR   3  -7.379  -8.423   3.182
   24    H    CYS   4           H        CYS   4  -3.607  -8.063   2.319
   25    HA   CYS   4           HA       CYS   4  -3.209  -6.853  -0.286
   26    HB2  CYS   4          2HB       CYS   4  -1.454  -8.827   1.152
   27    HB3  CYS   4          1HB       CYS   4  -1.188  -8.177  -0.464
   28    H    ASP   5           H        ASP   5  -4.935  -7.597  -1.293
   29    HA   ASP   5           HA       ASP   5  -5.434 -10.478  -1.368
   30    HB2  ASP   5          2HB       ASP   5  -7.382  -8.902  -1.317
   31    HB3  ASP   5          1HB       ASP   5  -6.818  -8.207  -2.835
   32    H    LEU   6           H        LEU   6  -4.270  -7.757  -3.146
   33    HA   LEU   6           HA       LEU   6  -3.267  -9.512  -5.246
   34    HB2  LEU   6          2HB       LEU   6  -3.756  -6.535  -5.303
   35    HB3  LEU   6          1HB       LEU   6  -3.246  -7.542  -6.640
   36    HG   LEU   6           HG       LEU   6  -5.938  -7.667  -5.289
   37   HD11  LEU   6          1HD1      LEU   6  -5.157  -6.574  -7.984
   38   HD12  LEU   6          2HD1      LEU   6  -5.592  -5.618  -6.571
   39   HD13  LEU   6          3HD1      LEU   6  -6.792  -6.662  -7.324
   40   HD21  LEU   6          1HD2      LEU   6  -4.875  -9.084  -7.727
   41   HD22  LEU   6          2HD2      LEU   6  -6.544  -9.134  -7.157
   42   HD23  LEU   6          3HD2      LEU   6  -5.255  -9.825  -6.174
   43    H    ILE   7           H        ILE   7  -1.183  -8.841  -5.968
   44    HA   ILE   7           HA       ILE   7   0.430  -7.436  -3.939
   45    HB   ILE   7           HB       ILE   7   1.370  -9.463  -6.004
   46   HG12  ILE   7          2HG1      ILE   7   1.057  -9.760  -3.006
   47   HG13  ILE   7          1HG1      ILE   7   0.016 -10.491  -4.220
   48   HG21  ILE   7          1HG2      ILE   7   3.090  -7.807  -5.471
   49   HG22  ILE   7          2HG2      ILE   7   3.520  -9.386  -4.815
   50   HG23  ILE   7          3HG2      ILE   7   2.886  -8.134  -3.748
   51   HD11  ILE   7          1HD1      ILE   7   1.600 -12.096  -3.326
   52   HD12  ILE   7          2HD1      ILE   7   2.935 -11.050  -3.825
   53   HD13  ILE   7          3HD1      ILE   7   1.900 -11.798  -5.043
   54    H    GLY   8           H        GLY   8   1.096  -5.500  -4.568
   55    HA2  GLY   8          2HA       GLY   8   1.889  -3.779  -5.902
   56    HA3  GLY   8          1HA       GLY   8   2.004  -4.916  -7.234
   57    H    ASN   9           H        ASN   9  -0.691  -5.679  -7.208
   58    HA   ASN   9           HA       ASN   9  -1.845  -3.460  -8.721
   59    HB2  ASN   9          2HB       ASN   9  -2.881  -6.279  -8.285
   60    HB3  ASN   9          1HB       ASN   9  -3.545  -5.118  -9.419
   61   HD21  ASN   9          1HD2      ASN   9  -2.570  -7.756  -9.961
   62   HD22  ASN   9          2HD2      ASN   9  -1.260  -7.576 -11.059
   63    H    GLU  10           H        GLU  10  -1.658  -4.215  -5.705
   64    HA   GLU  10           HA       GLU  10  -4.347  -4.213  -4.778
   65    HB2  GLU  10          2HB       GLU  10  -2.517  -5.525  -3.764
   66    HB3  GLU  10          1HB       GLU  10  -1.702  -4.036  -3.339
   67    HG2  GLU  10          2HG       GLU  10  -2.832  -5.092  -1.498
   68    HG3  GLU  10          1HG       GLU  10  -3.414  -3.457  -1.839
   69    H    ARG  11           H        ARG  11  -4.663  -2.203  -5.960
   70    HA   ARG  11           HA       ARG  11  -3.386   0.238  -5.298
   71    HB2  ARG  11          2HB       ARG  11  -4.689  -0.345  -7.413
   72    HB3  ARG  11          1HB       ARG  11  -6.125   0.048  -6.479
   73    HG2  ARG  11          2HG       ARG  11  -4.389   2.181  -6.065
   74    HG3  ARG  11          1HG       ARG  11  -4.271   1.809  -7.783
   75    HD2  ARG  11          2HD       ARG  11  -6.031   3.391  -7.517
   76    HD3  ARG  11          1HD       ARG  11  -6.765   1.823  -7.852
   77    HE   ARG  11           HE       ARG  11  -6.419   2.560  -5.088
   78   HH11  ARG  11          1HH1      ARG  11  -8.611   2.176  -7.845
   79   HH12  ARG  11          2HH1      ARG  11 -10.044   2.381  -6.955
   80   HH21  ARG  11          1HH2      ARG  11  -8.502   2.851  -3.808
   81   HH22  ARG  11          2HH2      ARG  11  -9.969   2.752  -4.640
   82    H    LEU  12           H        LEU  12  -6.046  -1.467  -3.903
   83    HA   LEU  12           HA       LEU  12  -7.190   0.691  -2.472
   84    HB2  LEU  12          2HB       LEU  12  -7.176  -2.264  -1.860
   85    HB3  LEU  12          1HB       LEU  12  -8.180  -1.081  -1.047
   86    HG   LEU  12           HG       LEU  12  -8.349  -1.777  -3.981
   87   HD11  LEU  12          1HD1      LEU  12 -10.458  -2.843  -3.371
   88   HD12  LEU  12          2HD1      LEU  12 -10.111  -2.531  -1.667
   89   HD13  LEU  12          3HD1      LEU  12  -9.071  -3.607  -2.598
   90   HD21  LEU  12          1HD2      LEU  12  -9.036   0.516  -3.551
   91   HD22  LEU  12          2HD2      LEU  12 -10.081  -0.033  -2.242
   92   HD23  LEU  12          3HD2      LEU  12 -10.441  -0.490  -3.907
   93    H    CYS  13           H        CYS  13  -4.353  -1.216  -2.022
   94    HA   CYS  13           HA       CYS  13  -4.011  -0.313   0.691
   95    HB2  CYS  13          2HB       CYS  13  -3.224  -2.550   0.174
   96    HB3  CYS  13          1HB       CYS  13  -2.255  -1.931  -1.166
   97    H    VAL  14           H        VAL  14  -2.578   0.171  -2.500
   98    HA   VAL  14           HA       VAL  14  -0.504   1.926  -1.962
   99    HB   VAL  14           HB       VAL  14  -2.334   2.233  -4.328
  100   HG11  VAL  14          1HG1      VAL  14  -0.698   3.997  -4.145
  101   HG12  VAL  14          2HG1      VAL  14  -0.308   2.965  -5.520
  102   HG13  VAL  14          3HG1      VAL  14   0.606   2.817  -4.019
  103   HG21  VAL  14          1HG2      VAL  14  -0.941   0.619  -5.520
  104   HG22  VAL  14          2HG2      VAL  14  -1.768  -0.097  -4.139
  105   HG23  VAL  14          3HG2      VAL  14  -0.045   0.292  -4.030
  106    H    VAL  15           H        VAL  15  -3.912   2.702  -2.549
  107    HA   VAL  15           HA       VAL  15  -3.680   5.474  -2.546
  108    HB   VAL  15           HB       VAL  15  -5.691   4.282  -3.339
  109   HG11  VAL  15          1HG1      VAL  15  -5.954   2.628  -1.624
  110   HG12  VAL  15          2HG1      VAL  15  -7.434   3.579  -1.780
  111   HG13  VAL  15          3HG1      VAL  15  -6.327   3.878  -0.437
  112   HG21  VAL  15          1HG2      VAL  15  -5.859   6.659  -2.955
  113   HG22  VAL  15          2HG2      VAL  15  -6.204   6.388  -1.249
  114   HG23  VAL  15          3HG2      VAL  15  -7.373   5.887  -2.468
  115    H    HIS  16           H        HIS  16  -3.799   3.272   0.150
  116    HA   HIS  16           HA       HIS  16  -4.497   5.168   2.144
  117    HB2  HIS  16          2HB       HIS  16  -4.726   2.826   2.654
  118    HB3  HIS  16          1HB       HIS  16  -3.045   2.517   2.259
  119    HD1  HIS  16          1HD       HIS  16  -5.002   4.499   4.899
  120    HD2  HIS  16          2HD       HIS  16  -1.465   2.398   4.371
  121    HE1  HIS  16          1HE       HIS  16  -3.849   4.505   7.144
  122    H    CYS  17           H        CYS  17  -1.483   4.026   0.839
  123    HA   CYS  17           HA       CYS  17   0.172   5.612   2.544
  124    HB2  CYS  17          2HB       CYS  17   0.771   4.353  -0.125
  125    HB3  CYS  17          1HB       CYS  17   1.953   4.906   1.061
  126    H    LEU  18           H        LEU  18  -1.239   6.053  -0.656
  127    HA   LEU  18           HA       LEU  18   0.127   8.468  -1.258
  128    HB2  LEU  18          2HB       LEU  18  -2.580   7.537  -2.225
  129    HB3  LEU  18          1HB       LEU  18  -1.627   8.815  -2.943
  130    HG   LEU  18           HG       LEU  18  -0.894   5.886  -2.882
  131   HD11  LEU  18          1HD1      LEU  18  -2.743   6.357  -4.379
  132   HD12  LEU  18          2HD1      LEU  18  -1.283   5.976  -5.293
  133   HD13  LEU  18          3HD1      LEU  18  -1.817   7.649  -5.139
  134   HD21  LEU  18          1HD2      LEU  18   1.097   7.287  -2.827
  135   HD22  LEU  18          2HD2      LEU  18   0.488   8.227  -4.187
  136   HD23  LEU  18          3HD2      LEU  18   0.919   6.531  -4.411
  137    H    ALA  19           H        ALA  19  -2.805   7.724   0.506
  138    HA   ALA  19           HA       ALA  19  -3.670  10.422   0.775
  139    HB1  ALA  19          1HB       ALA  19  -4.436   7.983   2.379
  140    HB2  ALA  19          2HB       ALA  19  -5.221   8.522   0.896
  141    HB3  ALA  19          3HB       ALA  19  -5.302   9.519   2.348
  142    H    LYS  20           H        LYS  20  -1.738   8.225   2.710
  143    HA   LYS  20           HA       LYS  20  -1.577   9.946   4.977
  144    HB2  LYS  20          2HB       LYS  20   0.195   7.654   4.150
  145    HB3  LYS  20          1HB       LYS  20   0.340   8.506   5.677
  146    HG2  LYS  20          2HG       LYS  20  -1.962   7.812   6.240
  147    HG3  LYS  20          1HG       LYS  20  -2.025   6.904   4.730
  148    HD2  LYS  20          2HD       LYS  20  -1.483   5.364   6.466
  149    HD3  LYS  20          1HD       LYS  20  -0.029   5.619   5.509
  150    HE2  LYS  20          2HE       LYS  20   0.526   5.595   7.867
  151    HE3  LYS  20          1HE       LYS  20   0.774   7.205   7.203
  152    HZ1  LYS  20          1HZ       LYS  20  -1.318   7.906   8.172
  153    HZ2  LYS  20          2HZ       LYS  20  -0.322   7.279   9.358
  154    HZ3  LYS  20          3HZ       LYS  20  -1.601   6.358   8.778
  155    H    GLY  21           H        GLY  21   0.250   9.646   2.065
  156    HA2  GLY  21          2HA       GLY  21   1.288  11.814   1.369
  157    HA3  GLY  21          1HA       GLY  21   1.937  11.892   3.004
  158    H    PHE  22           H        PHE  22   1.723   9.103   0.927
  159    HA   PHE  22           HA       PHE  22   4.630   8.968   0.855
  160    HB2  PHE  22          2HB       PHE  22   2.548   6.921   1.370
  161    HB3  PHE  22          1HB       PHE  22   3.997   6.336   0.585
  162    HD1  PHE  22          1HD       PHE  22   6.129   6.654   1.636
  163    HD2  PHE  22          2HD       PHE  22   2.495   7.477   3.650
  164    HE1  PHE  22          1HE       PHE  22   7.295   6.527   3.670
  165    HE2  PHE  22          2HE       PHE  22   3.665   7.357   5.805
  166    HZ   PHE  22           HZ       PHE  22   6.091   6.885   5.850
  167    H    ARG  23           H        ARG  23   5.515   8.006  -0.973
  168    HA   ARG  23           HA       ARG  23   4.189   8.754  -3.390
  169    HB2  ARG  23          2HB       ARG  23   6.842   7.391  -2.892
  170    HB3  ARG  23          1HB       ARG  23   6.234   7.825  -4.476
  171    HG2  ARG  23          2HG       ARG  23   6.881   9.742  -2.245
  172    HG3  ARG  23          1HG       ARG  23   7.851   9.445  -3.690
  173    HD2  ARG  23          2HD       ARG  23   5.096  10.666  -3.549
  174    HD3  ARG  23          1HD       ARG  23   6.593  11.445  -4.055
  175    HE   ARG  23           HE       ARG  23   6.142   9.217  -5.692
  176   HH11  ARG  23          1HH1      ARG  23   4.853  12.476  -5.183
  177   HH12  ARG  23          2HH1      ARG  23   4.213  12.583  -6.754
  178   HH21  ARG  23          1HH2      ARG  23   5.231   9.373  -7.779
  179   HH22  ARG  23          2HH2      ARG  23   4.404  10.791  -8.260
  180    H    GLY  24           H        GLY  24   4.369   5.974  -1.421
  181    HA2  GLY  24          2HA       GLY  24   2.287   4.759  -2.699
  182    HA3  GLY  24          1HA       GLY  24   3.712   4.186  -3.537
  183    H    GLY  25           H        GLY  25   1.922   2.617  -2.291
  184    HA2  GLY  25          2HA       GLY  25   3.476   1.500  -0.118
  185    HA3  GLY  25          1HA       GLY  25   1.719   1.651  -0.021
  186    H    TRP  26           H        TRP  26   3.288  -0.724  -0.017
  187    HA   TRP  26           HA       TRP  26   2.113  -2.058  -2.307
  188    HB2  TRP  26          2HB       TRP  26   4.174  -2.898  -3.180
  189    HB3  TRP  26          1HB       TRP  26   4.460  -1.178  -2.947
  190    HD1  TRP  26           HD       TRP  26   5.866  -4.494  -2.090
  191    HE1  TRP  26          1HE       TRP  26   7.706  -4.282  -0.290
  192    HE3  TRP  26          3HE       TRP  26   5.164   0.364  -0.735
  193    HZ2  TRP  26          2HZ       TRP  26   8.691  -2.422   1.409
  194    HZ3  TRP  26          3HZ       TRP  26   6.587   1.337   0.991
  195    HH2  TRP  26           HH       TRP  26   8.367  -0.043   2.072
  196    H    CYS  27           H        CYS  27   2.350  -4.359  -2.026
  197    HA   CYS  27           HA       CYS  27   2.499  -5.167   0.746
  198    HB2  CYS  27          2HB       CYS  27   1.560  -6.564  -1.744
  199    HB3  CYS  27          1HB       CYS  27   1.520  -7.248  -0.119
  200    H    ASP  28           H        ASP  28   4.355  -5.949   1.419
  201    HA   ASP  28           HA       ASP  28   6.478  -6.739  -0.364
  202    HB2  ASP  28          2HB       ASP  28   6.185  -6.730   2.607
  203    HB3  ASP  28          1HB       ASP  28   7.387  -7.803   1.907
  204    H    SER  29           H        SER  29   7.624  -8.992   0.252
  205    HA   SER  29           HA       SER  29   5.884 -11.014  -0.634
  206    HB2  SER  29          2HB       SER  29   7.976 -12.448  -0.076
  207    HB3  SER  29          1HB       SER  29   8.127 -11.206  -1.321
  208    HG   SER  29           HG       SER  29   9.611 -10.342  -0.162
  209    H    ARG  30           H        ARG  30   6.403  -9.698   2.341
  210    HA   ARG  30           HA       ARG  30   5.648 -11.950   3.995
  211    HB2  ARG  30          2HB       ARG  30   5.852  -8.991   4.561
  212    HB3  ARG  30          1HB       ARG  30   5.426 -10.190   5.769
  213    HG2  ARG  30          2HG       ARG  30   7.578 -11.177   5.665
  214    HG3  ARG  30          1HG       ARG  30   8.011 -10.239   4.236
  215    HD2  ARG  30          2HD       ARG  30   7.389  -9.087   6.959
  216    HD3  ARG  30          1HD       ARG  30   9.015  -9.328   6.320
  217    HE   ARG  30           HE       ARG  30   8.251  -7.811   4.462
  218   HH11  ARG  30          1HH1      ARG  30   7.142  -7.444   7.805
  219   HH12  ARG  30          2HH1      ARG  30   6.787  -5.786   7.659
  220   HH21  ARG  30          1HH2      ARG  30   7.736  -5.447   4.274
  221   HH22  ARG  30          2HH2      ARG  30   7.118  -4.655   5.633
  222    H    LYS  31           H        LYS  31   4.004 -10.019   1.825
  223    HA   LYS  31           HA       LYS  31   1.881  -9.578   1.325
  224    HB2  LYS  31          2HB       LYS  31   1.337 -11.709   3.389
  225    HB3  LYS  31          1HB       LYS  31   0.049 -10.944   2.478
  226    HG2  LYS  31          2HG       LYS  31   2.344 -12.515   1.308
  227    HG3  LYS  31          1HG       LYS  31   0.698 -13.109   1.521
  228    HD2  LYS  31          2HD       LYS  31   1.532 -10.791  -0.240
  229    HD3  LYS  31          1HD       LYS  31   1.112 -12.411  -0.807
  230    HE2  LYS  31          2HE       LYS  31  -0.678 -10.465   0.625
  231    HE3  LYS  31          1HE       LYS  31  -0.704 -10.796  -1.100
  232    HZ1  LYS  31          1HZ       LYS  31  -1.387 -13.054  -0.597
  233    HZ2  LYS  31          2HZ       LYS  31  -2.462 -11.940   0.078
  234    HZ3  LYS  31          3HZ       LYS  31  -1.355 -12.738   1.057
  235    H    VAL  32           H        VAL  32   3.251  -8.092   3.329
  236    HA   VAL  32           HA       VAL  32   0.972  -6.950   4.836
  237    HB   VAL  32           HB       VAL  32   3.918  -6.506   5.355
  238   HG11  VAL  32          1HG1      VAL  32   1.500  -5.921   7.055
  239   HG12  VAL  32          2HG1      VAL  32   2.493  -4.741   6.199
  240   HG13  VAL  32          3HG1      VAL  32   3.177  -5.665   7.537
  241   HG21  VAL  32          1HG2      VAL  32   2.075  -8.416   6.783
  242   HG22  VAL  32          2HG2      VAL  32   3.729  -8.028   7.266
  243   HG23  VAL  32          3HG2      VAL  32   3.426  -8.860   5.740
  244    H    CYS  33           H        CYS  33   0.412  -4.970   4.429
  245    HA   CYS  33           HA       CYS  33   1.504  -3.500   2.270
  246    HB2  CYS  33          2HB       CYS  33  -0.574  -3.021   4.342
  247    HB3  CYS  33          1HB       CYS  33   0.021  -1.685   3.371
  248    H    ASN  34           H        ASN  34   2.976  -1.987   2.290
  249    HA   ASN  34           HA       ASN  34   3.784  -0.696   4.815
  250    HB2  ASN  34          2HB       ASN  34   5.710  -1.553   2.638
  251    HB3  ASN  34          1HB       ASN  34   6.117  -0.800   4.167
  252   HD21  ASN  34          1HD2      ASN  34   5.141  -3.655   2.573
  253   HD22  ASN  34          2HD2      ASN  34   5.526  -4.760   3.840
  254    H    CYS  35           H        CYS  35   4.436   1.463   4.470
  255    HA   CYS  35           HA       CYS  35   4.010   2.506   1.734
  256    HB2  CYS  35          2HB       CYS  35   3.728   3.975   4.374
  257    HB3  CYS  35          1HB       CYS  35   3.353   4.611   2.781
  258    H    ARG  36           H        ARG  36   5.841   3.308   0.778
  259    HA   ARG  36           HA       ARG  36   7.843   4.790   1.977
  260    HB2  ARG  36          2HB       ARG  36   8.091   2.614   3.324
  261    HB3  ARG  36          1HB       ARG  36   8.756   1.935   1.849
  262    HG2  ARG  36          2HG       ARG  36  10.531   3.560   1.869
  263    HG3  ARG  36          1HG       ARG  36   9.857   4.299   3.327
  264    HD2  ARG  36          2HD       ARG  36  11.647   2.832   3.991
  265    HD3  ARG  36          1HD       ARG  36  10.116   2.116   4.485
  266    HE   ARG  36           HE       ARG  36  11.646   1.290   2.114
  267   HH11  ARG  36          1HH1      ARG  36   9.495   0.409   4.830
  268   HH12  ARG  36          2HH1      ARG  36   9.595  -1.259   4.485
  269   HH21  ARG  36          1HH2      ARG  36  11.746  -1.010   1.730
  270   HH22  ARG  36          2HH2      ARG  36  10.865  -2.060   2.732
  271    H    ARG  37           H        ARG  37   6.755   2.725  -0.594
  272    HA   ARG  37           HA       ARG  37   9.107   3.456  -2.161
  273    HB2  ARG  37          2HB       ARG  37   7.183   1.142  -2.482
  274    HB3  ARG  37          1HB       ARG  37   8.388   1.574  -3.690
  275    HG2  ARG  37          2HG       ARG  37  10.147   1.146  -2.029
  276    HG3  ARG  37          1HG       ARG  37   8.871   0.746  -0.866
  277    HD2  ARG  37          2HD       ARG  37   9.895  -1.270  -1.919
  278    HD3  ARG  37          1HD       ARG  37   8.159  -1.132  -2.168
  279    HE   ARG  37           HE       ARG  37   9.715  -0.003  -4.284
  280   HH11  ARG  37          1HH1      ARG  37   8.326  -3.046  -3.062
  281   HH12  ARG  37          2HH1      ARG  37   8.261  -3.781  -4.605
  282   HH21  ARG  37          1HH2      ARG  37   9.559  -1.050  -6.419
  283   HH22  ARG  37          2HH2      ARG  37   8.983  -2.633  -6.517
  Start of MODEL   18
    1    H1   GLY   1          1HT       GLY   1  -9.768   0.145   5.095
    2    H2   GLY   1          2HT       GLY   1 -10.314  -0.240   6.654
    3    H3   GLY   1          3HT       GLY   1 -10.172  -1.443   5.472
    4    HA2  GLY   1          1HA       GLY   1  -7.910   0.072   6.578
    5    HA3  GLY   1          2HA       GLY   1  -8.380  -1.566   7.041
    6    H    ILE   2           H        ILE   2  -5.897  -1.495   6.163
    7    HA   ILE   2           HA       ILE   2  -5.697  -1.620   3.364
    8    HB   ILE   2           HB       ILE   2  -3.393  -2.512   3.917
    9   HG12  ILE   2          2HG1      ILE   2  -4.295  -1.844   6.740
   10   HG13  ILE   2          1HG1      ILE   2  -3.861  -3.440   6.141
   11   HG21  ILE   2          1HG2      ILE   2  -2.600  -0.313   4.639
   12   HG22  ILE   2          2HG2      ILE   2  -4.253   0.134   5.059
   13   HG23  ILE   2          3HG2      ILE   2  -3.827  -0.194   3.379
   14   HD11  ILE   2          1HD1      ILE   2  -1.581  -2.750   5.885
   15   HD12  ILE   2          2HD1      ILE   2  -2.117  -2.336   7.525
   16   HD13  ILE   2          3HD1      ILE   2  -2.020  -1.092   6.264
   17    H    THR   3           H        THR   3  -5.436  -3.347   2.094
   18    HA   THR   3           HA       THR   3  -5.964  -5.990   3.203
   19    HB   THR   3           HB       THR   3  -7.123  -4.776   0.696
   20    HG1  THR   3          1HG       THR   3  -8.173  -5.102   3.319
   21   HG21  THR   3          1HG2      THR   3  -6.882  -7.217   0.599
   22   HG22  THR   3          2HG2      THR   3  -8.587  -6.779   0.686
   23   HG23  THR   3          3HG2      THR   3  -7.756  -7.375   2.122
   24    H    CYS   4           H        CYS   4  -4.736  -7.559   2.040
   25    HA   CYS   4           HA       CYS   4  -3.299  -6.590  -0.294
   26    HB2  CYS   4          2HB       CYS   4  -2.037  -8.245   1.882
   27    HB3  CYS   4          1HB       CYS   4  -1.315  -7.747   0.343
   28    H    ASP   5           H        ASP   5  -4.743  -7.665  -1.542
   29    HA   ASP   5           HA       ASP   5  -4.750 -10.579  -1.316
   30    HB2  ASP   5          2HB       ASP   5  -6.838  -9.393  -1.964
   31    HB3  ASP   5          1HB       ASP   5  -6.014  -8.763  -3.386
   32    H    LEU   6           H        LEU   6  -3.514  -7.931  -3.102
   33    HA   LEU   6           HA       LEU   6  -1.908  -9.728  -4.737
   34    HB2  LEU   6          2HB       LEU   6  -2.832  -6.920  -5.296
   35    HB3  LEU   6          1HB       LEU   6  -1.685  -7.801  -6.280
   36    HG   LEU   6           HG       LEU   6  -4.547  -8.636  -5.820
   37   HD11  LEU   6          1HD1      LEU   6  -4.918  -7.897  -8.121
   38   HD12  LEU   6          2HD1      LEU   6  -3.259  -7.317  -8.210
   39   HD13  LEU   6          3HD1      LEU   6  -4.400  -6.554  -7.102
   40   HD21  LEU   6          1HD2      LEU   6  -4.112 -10.181  -7.687
   41   HD22  LEU   6          2HD2      LEU   6  -3.076 -10.518  -6.306
   42   HD23  LEU   6          3HD2      LEU   6  -2.426  -9.669  -7.707
   43    H    ILE   7           H        ILE   7   0.116  -9.409  -4.845
   44    HA   ILE   7           HA       ILE   7   1.553  -7.700  -3.015
   45    HB   ILE   7           HB       ILE   7   2.544  -9.577  -5.195
   46   HG12  ILE   7          2HG1      ILE   7   2.428 -10.013  -2.203
   47   HG13  ILE   7          1HG1      ILE   7   1.309 -10.712  -3.367
   48   HG21  ILE   7          1HG2      ILE   7   4.073  -8.245  -2.960
   49   HG22  ILE   7          2HG2      ILE   7   4.201  -7.868  -4.677
   50   HG23  ILE   7          3HG2      ILE   7   4.725  -9.444  -4.076
   51   HD11  ILE   7          1HD1      ILE   7   3.023 -12.301  -2.657
   52   HD12  ILE   7          2HD1      ILE   7   4.273 -11.214  -3.284
   53   HD13  ILE   7          3HD1      ILE   7   3.116 -11.954  -4.384
   54    H    GLY   8           H        GLY   8   2.209  -5.736  -3.575
   55    HA2  GLY   8          2HA       GLY   8   2.941  -3.901  -4.824
   56    HA3  GLY   8          1HA       GLY   8   3.175  -5.009  -6.152
   57    H    ASN   9           H        ASN   9   0.520  -5.768  -6.507
   58    HA   ASN   9           HA       ASN   9  -0.320  -3.532  -8.176
   59    HB2  ASN   9          2HB       ASN   9  -1.358  -6.360  -7.918
   60    HB3  ASN   9          1HB       ASN   9  -1.966  -5.189  -9.077
   61   HD21  ASN   9          1HD2      ASN   9  -1.412  -6.602 -10.736
   62   HD22  ASN   9          2HD2      ASN   9   0.224  -6.786 -11.255
   63    H    GLU  10           H        GLU  10  -0.848  -4.476  -5.189
   64    HA   GLU  10           HA       GLU  10  -3.625  -4.339  -4.930
   65    HB2  GLU  10          2HB       GLU  10  -2.367  -5.732  -3.515
   66    HB3  GLU  10          1HB       GLU  10  -1.382  -4.416  -2.930
   67    HG2  GLU  10          2HG       GLU  10  -2.969  -5.000  -1.318
   68    HG3  GLU  10          1HG       GLU  10  -3.346  -3.412  -2.018
   69    H    ARG  11           H        ARG  11  -4.016  -2.570  -5.840
   70    HA   ARG  11           HA       ARG  11  -3.339   0.087  -5.444
   71    HB2  ARG  11          2HB       ARG  11  -6.153  -0.893  -5.901
   72    HB3  ARG  11          1HB       ARG  11  -5.539   0.707  -6.241
   73    HG2  ARG  11          2HG       ARG  11  -4.711  -1.833  -7.653
   74    HG3  ARG  11          1HG       ARG  11  -5.840  -0.633  -8.267
   75    HD2  ARG  11          2HD       ARG  11  -3.849  -0.121  -9.366
   76    HD3  ARG  11          1HD       ARG  11  -3.884   1.018  -8.025
   77    HE   ARG  11           HE       ARG  11  -2.458  -1.461  -7.613
   78   HH11  ARG  11          1HH1      ARG  11  -2.266   1.987  -8.395
   79   HH12  ARG  11          2HH1      ARG  11  -0.585   2.116  -8.166
   80   HH21  ARG  11          1HH2      ARG  11  -0.023  -1.270  -7.323
   81   HH22  ARG  11          2HH2      ARG  11   0.672   0.261  -7.569
   82    H    LEU  12           H        LEU  12  -5.406  -1.940  -3.418
   83    HA   LEU  12           HA       LEU  12  -6.540   0.171  -1.906
   84    HB2  LEU  12          2HB       LEU  12  -6.327  -2.764  -1.304
   85    HB3  LEU  12          1HB       LEU  12  -7.271  -1.622  -0.368
   86    HG   LEU  12           HG       LEU  12  -7.742  -2.351  -3.257
   87   HD11  LEU  12          1HD1      LEU  12  -9.774  -3.391  -2.416
   88   HD12  LEU  12          2HD1      LEU  12  -9.294  -2.992  -0.765
   89   HD13  LEU  12          3HD1      LEU  12  -8.331  -4.123  -1.713
   90   HD21  LEU  12          1HD2      LEU  12  -9.792  -1.022  -3.022
   91   HD22  LEU  12          2HD2      LEU  12  -8.351  -0.034  -2.841
   92   HD23  LEU  12          3HD2      LEU  12  -9.276  -0.513  -1.414
   93    H    CYS  13           H        CYS  13  -3.528  -1.391  -1.767
   94    HA   CYS  13           HA       CYS  13  -3.044  -0.515   0.954
   95    HB2  CYS  13          2HB       CYS  13  -2.025  -2.577   0.317
   96    HB3  CYS  13          1HB       CYS  13  -1.353  -1.878  -1.144
   97    H    VAL  14           H        VAL  14  -2.136   0.229  -2.339
   98    HA   VAL  14           HA       VAL  14  -0.272   2.245  -2.003
   99    HB   VAL  14           HB       VAL  14  -2.405   2.236  -4.127
  100   HG11  VAL  14          1HG1      VAL  14  -0.682   3.316  -5.513
  101   HG12  VAL  14          2HG1      VAL  14   0.410   3.291  -4.117
  102   HG13  VAL  14          3HG1      VAL  14  -1.068   4.239  -4.053
  103   HG21  VAL  14          1HG2      VAL  14   0.196   0.711  -4.088
  104   HG22  VAL  14          2HG2      VAL  14  -0.889   0.839  -5.473
  105   HG23  VAL  14          3HG2      VAL  14  -1.419   0.012  -4.008
  106    H    VAL  15           H        VAL  15  -3.797   2.513  -2.270
  107    HA   VAL  15           HA       VAL  15  -3.958   5.294  -2.102
  108    HB   VAL  15           HB       VAL  15  -5.764   3.828  -2.907
  109   HG11  VAL  15          1HG1      VAL  15  -7.324   2.766  -1.360
  110   HG12  VAL  15          2HG1      VAL  15  -6.232   3.177  -0.033
  111   HG13  VAL  15          3HG1      VAL  15  -5.699   2.076  -1.299
  112   HG21  VAL  15          1HG2      VAL  15  -6.340   6.115  -2.404
  113   HG22  VAL  15          2HG2      VAL  15  -6.577   5.716  -0.712
  114   HG23  VAL  15          3HG2      VAL  15  -7.679   5.070  -1.926
  115    H    HIS  16           H        HIS  16  -3.507   2.955   0.422
  116    HA   HIS  16           HA       HIS  16  -4.329   4.654   2.588
  117    HB2  HIS  16          2HB       HIS  16  -4.284   2.236   2.987
  118    HB3  HIS  16          1HB       HIS  16  -2.600   2.145   2.526
  119    HD1  HIS  16          1HD       HIS  16  -4.786   3.392   5.367
  120    HD2  HIS  16          2HD       HIS  16  -0.813   2.568   4.494
  121    HE1  HIS  16          1HE       HIS  16  -3.570   3.486   7.548
  122    H    CYS  17           H        CYS  17  -1.329   3.807   1.046
  123    HA   CYS  17           HA       CYS  17   0.358   5.403   2.697
  124    HB2  CYS  17          2HB       CYS  17   0.781   4.369  -0.093
  125    HB3  CYS  17          1HB       CYS  17   2.024   4.849   1.063
  126    H    LEU  18           H        LEU  18  -1.418   5.934  -0.278
  127    HA   LEU  18           HA       LEU  18  -0.299   8.498  -0.782
  128    HB2  LEU  18          2HB       LEU  18  -2.948   7.360  -1.676
  129    HB3  LEU  18          1HB       LEU  18  -2.195   8.805  -2.319
  130    HG   LEU  18           HG       LEU  18  -1.136   5.994  -2.563
  131   HD11  LEU  18          1HD1      LEU  18  -1.604   6.268  -4.942
  132   HD12  LEU  18          2HD1      LEU  18  -2.328   7.840  -4.611
  133   HD13  LEU  18          3HD1      LEU  18  -3.064   6.374  -3.961
  134   HD21  LEU  18          1HD2      LEU  18   0.697   7.581  -2.410
  135   HD22  LEU  18          2HD2      LEU  18  -0.044   8.585  -3.654
  136   HD23  LEU  18          3HD2      LEU  18   0.550   6.972  -4.056
  137    H    ALA  19           H        ALA  19  -3.018   7.361   1.135
  138    HA   ALA  19           HA       ALA  19  -4.068   9.922   1.722
  139    HB1  ALA  19          1HB       ALA  19  -5.225   8.805   3.575
  140    HB2  ALA  19          2HB       ALA  19  -4.242   7.360   3.309
  141    HB3  ALA  19          3HB       ALA  19  -5.366   7.913   2.063
  142    H    LYS  20           H        LYS  20  -1.682   7.878   3.309
  143    HA   LYS  20           HA       LYS  20  -1.254   9.672   5.461
  144    HB2  LYS  20          2HB       LYS  20   0.334   7.357   4.422
  145    HB3  LYS  20          1HB       LYS  20   0.967   8.368   5.708
  146    HG2  LYS  20          2HG       LYS  20  -1.102   7.870   7.005
  147    HG3  LYS  20          1HG       LYS  20  -1.552   6.725   5.740
  148    HD2  LYS  20          2HD       LYS  20   0.404   5.397   6.169
  149    HD3  LYS  20          1HD       LYS  20   1.034   6.603   7.294
  150    HE2  LYS  20          2HE       LYS  20  -1.514   5.026   7.657
  151    HE3  LYS  20          1HE       LYS  20   0.016   4.662   8.440
  152    HZ1  LYS  20          1HZ       LYS  20  -1.528   7.176   8.782
  153    HZ2  LYS  20          2HZ       LYS  20  -0.098   6.787   9.591
  154    HZ3  LYS  20          3HZ       LYS  20  -1.503   5.906   9.877
  155    H    GLY  21           H        GLY  21   0.177   9.434   2.311
  156    HA2  GLY  21          2HA       GLY  21   0.975  11.571   1.393
  157    HA3  GLY  21          1HA       GLY  21   1.691  11.894   2.971
  158    H    PHE  22           H        PHE  22   1.688   8.981   1.082
  159    HA   PHE  22           HA       PHE  22   4.609   8.983   1.060
  160    HB2  PHE  22          2HB       PHE  22   2.525   6.892   1.262
  161    HB3  PHE  22          1HB       PHE  22   3.981   6.391   0.448
  162    HD1  PHE  22          1HD       PHE  22   2.425   7.320   3.583
  163    HD2  PHE  22          2HD       PHE  22   6.028   6.362   1.590
  164    HE1  PHE  22          1HE       PHE  22   3.488   6.834   5.746
  165    HE2  PHE  22          2HE       PHE  22   7.101   5.874   3.626
  166    HZ   PHE  22           HZ       PHE  22   5.848   6.102   5.810
  167    H    ARG  23           H        ARG  23   5.567   7.995  -0.839
  168    HA   ARG  23           HA       ARG  23   4.592   8.939  -3.312
  169    HB2  ARG  23          2HB       ARG  23   6.739   7.051  -2.491
  170    HB3  ARG  23          1HB       ARG  23   6.172   6.961  -4.146
  171    HG2  ARG  23          2HG       ARG  23   8.139   8.341  -3.968
  172    HG3  ARG  23          1HG       ARG  23   6.744   9.288  -4.479
  173    HD2  ARG  23          2HD       ARG  23   6.504  10.116  -2.187
  174    HD3  ARG  23          1HD       ARG  23   7.915   9.164  -1.711
  175    HE   ARG  23           HE       ARG  23   8.527  10.819  -3.897
  176   HH11  ARG  23          1HH1      ARG  23   7.890  11.079  -0.443
  177   HH12  ARG  23          2HH1      ARG  23   8.980  12.356  -0.183
  178   HH21  ARG  23          1HH2      ARG  23   9.955  12.566  -3.591
  179   HH22  ARG  23          2HH2      ARG  23  10.160  13.277  -2.038
  180    H    GLY  24           H        GLY  24   4.178   6.004  -1.515
  181    HA2  GLY  24          2HA       GLY  24   1.781   5.284  -2.513
  182    HA3  GLY  24          1HA       GLY  24   2.935   4.603  -3.657
  183    H    GLY  25           H        GLY  25   1.925   2.609  -2.822
  184    HA2  GLY  25          2HA       GLY  25   3.471   1.623  -0.620
  185    HA3  GLY  25          1HA       GLY  25   1.729   1.663  -0.381
  186    H    TRP  26           H        TRP  26   3.187  -0.643  -0.362
  187    HA   TRP  26           HA       TRP  26   1.886  -2.040  -2.499
  188    HB2  TRP  26          2HB       TRP  26   3.844  -3.034  -3.480
  189    HB3  TRP  26          1HB       TRP  26   4.106  -1.293  -3.489
  190    HD1  TRP  26           HD       TRP  26   5.743  -4.458  -2.712
  191    HE1  TRP  26          1HE       TRP  26   7.863  -4.113  -1.303
  192    HE3  TRP  26          3HE       TRP  26   5.007   0.377  -1.317
  193    HZ2  TRP  26          2HZ       TRP  26   9.037  -2.091   0.209
  194    HZ3  TRP  26          3HZ       TRP  26   6.642   1.463   0.135
  195    HH2  TRP  26           HH       TRP  26   8.655   0.242   0.890
  196    H    CYS  27           H        CYS  27   1.228  -3.922  -1.738
  197    HA   CYS  27           HA       CYS  27   2.173  -4.887   0.772
  198    HB2  CYS  27          2HB       CYS  27   0.387  -6.153  -1.309
  199    HB3  CYS  27          1HB       CYS  27   0.673  -6.784   0.313
  200    H    ASP  28           H        ASP  28   3.852  -6.156   1.020
  201    HA   ASP  28           HA       ASP  28   5.240  -6.989  -1.421
  202    HB2  ASP  28          2HB       ASP  28   7.238  -7.322  -0.089
  203    HB3  ASP  28          1HB       ASP  28   6.470  -5.856   0.455
  204    H    SER  29           H        SER  29   6.624  -9.269  -0.647
  205    HA   SER  29           HA       SER  29   4.759 -11.246  -1.274
  206    HB2  SER  29          2HB       SER  29   7.518 -11.659  -0.123
  207    HB3  SER  29          1HB       SER  29   6.611 -12.747  -1.172
  208    HG   SER  29           HG       SER  29   7.210 -11.645  -2.853
  209    H    ARG  30           H        ARG  30   5.700  -9.983   1.818
  210    HA   ARG  30           HA       ARG  30   4.748 -12.248   3.355
  211    HB2  ARG  30          2HB       ARG  30   5.347  -9.404   4.169
  212    HB3  ARG  30          1HB       ARG  30   4.994 -10.714   5.280
  213    HG2  ARG  30          2HG       ARG  30   7.040 -11.787   4.792
  214    HG3  ARG  30          1HG       ARG  30   7.340 -10.736   3.398
  215    HD2  ARG  30          2HD       ARG  30   7.244  -9.916   6.301
  216    HD3  ARG  30          1HD       ARG  30   8.686 -10.025   5.283
  217    HE   ARG  30           HE       ARG  30   7.063  -8.374   3.904
  218   HH11  ARG  30          1HH1      ARG  30   8.421  -8.259   7.180
  219   HH12  ARG  30          2HH1      ARG  30   8.279  -6.572   7.321
  220   HH21  ARG  30          1HH2      ARG  30   6.841  -6.145   4.100
  221   HH22  ARG  30          2HH2      ARG  30   7.388  -5.287   5.483
  222    H    LYS  31           H        LYS  31   3.247  -9.947   1.518
  223    HA   LYS  31           HA       LYS  31   1.203  -9.111   1.266
  224    HB2  LYS  31          2HB       LYS  31   0.480 -11.260   3.263
  225    HB3  LYS  31          1HB       LYS  31  -0.728 -10.225   2.515
  226    HG2  LYS  31          2HG       LYS  31   1.142 -12.067   1.026
  227    HG3  LYS  31          1HG       LYS  31  -0.535 -12.433   1.432
  228    HD2  LYS  31          2HD       LYS  31  -1.266 -10.490   0.099
  229    HD3  LYS  31          1HD       LYS  31   0.412 -10.156  -0.325
  230    HE2  LYS  31          2HE       LYS  31  -0.702 -11.333  -2.131
  231    HE3  LYS  31          1HE       LYS  31   0.565 -12.334  -1.431
  232    HZ1  LYS  31          1HZ       LYS  31  -1.195 -13.522  -0.174
  233    HZ2  LYS  31          2HZ       LYS  31  -1.409 -13.631  -1.829
  234    HZ3  LYS  31          3HZ       LYS  31  -2.363 -12.598  -0.949
  235    H    VAL  32           H        VAL  32   3.016  -7.973   3.089
  236    HA   VAL  32           HA       VAL  32   1.312  -6.663   5.075
  237    HB   VAL  32           HB       VAL  32   4.312  -6.482   4.582
  238   HG11  VAL  32          1HG1      VAL  32   3.434  -4.432   5.595
  239   HG12  VAL  32          2HG1      VAL  32   4.452  -5.325   6.724
  240   HG13  VAL  32          3HG1      VAL  32   2.699  -5.385   6.888
  241   HG21  VAL  32          1HG2      VAL  32   2.805  -7.904   6.765
  242   HG22  VAL  32          2HG2      VAL  32   4.561  -7.784   6.622
  243   HG23  VAL  32          3HG2      VAL  32   3.632  -8.670   5.410
  244    H    CYS  33           H        CYS  33   0.651  -4.581   4.729
  245    HA   CYS  33           HA       CYS  33   1.129  -3.329   2.183
  246    HB2  CYS  33          2HB       CYS  33  -1.128  -3.042   3.568
  247    HB3  CYS  33          1HB       CYS  33  -0.119  -2.123   4.646
  248    H    ASN  34           H        ASN  34   3.065  -2.357   1.843
  249    HA   ASN  34           HA       ASN  34   4.404  -1.008   4.113
  250    HB2  ASN  34          2HB       ASN  34   5.633  -1.803   1.462
  251    HB3  ASN  34          1HB       ASN  34   6.471  -1.216   2.886
  252   HD21  ASN  34          1HD2      ASN  34   5.010  -3.860   1.331
  253   HD22  ASN  34          2HD2      ASN  34   5.529  -5.098   2.438
  254    H    CYS  35           H        CYS  35   4.967   1.162   3.825
  255    HA   CYS  35           HA       CYS  35   4.051   2.356   1.302
  256    HB2  CYS  35          2HB       CYS  35   4.116   3.646   4.048
  257    HB3  CYS  35          1HB       CYS  35   3.574   4.389   2.562
  258    H    ARG  36           H        ARG  36   5.433   3.423   0.136
  259    HA   ARG  36           HA       ARG  36   7.511   5.076   0.857
  260    HB2  ARG  36          2HB       ARG  36   8.656   3.121   1.870
  261    HB3  ARG  36          1HB       ARG  36   8.527   2.266   0.341
  262    HG2  ARG  36          2HG       ARG  36   9.952   4.033  -0.678
  263    HG3  ARG  36          1HG       ARG  36  10.188   4.692   0.943
  264    HD2  ARG  36          2HD       ARG  36  11.136   2.562   1.677
  265    HD3  ARG  36          1HD       ARG  36  10.868   1.892   0.068
  266    HE   ARG  36           HE       ARG  36  12.439   4.256   0.032
  267   HH11  ARG  36          1HH1      ARG  36  12.634   0.738   0.513
  268   HH12  ARG  36          2HH1      ARG  36  14.280   0.623   0.114
  269   HH21  ARG  36          1HH2      ARG  36  14.751   4.085  -0.485
  270   HH22  ARG  36          2HH2      ARG  36  15.507   2.569  -0.448
  271    H    ARG  37           H        ARG  37   6.564   2.466  -1.350
  272    HA   ARG  37           HA       ARG  37   7.776   3.925  -3.562
  273    HB2  ARG  37          2HB       ARG  37   7.288   0.977  -3.251
  274    HB3  ARG  37          1HB       ARG  37   8.163   1.754  -4.573
  275    HG2  ARG  37          2HG       ARG  37   9.859   2.511  -2.919
  276    HG3  ARG  37          1HG       ARG  37   8.957   1.637  -1.682
  277    HD2  ARG  37          2HD       ARG  37  10.841   0.303  -2.427
  278    HD3  ARG  37          1HD       ARG  37   9.327  -0.460  -2.905
  279    HE   ARG  37           HE       ARG  37  10.212   1.178  -4.981
  280   HH11  ARG  37          1HH1      ARG  37  11.231  -1.814  -3.350
  281   HH12  ARG  37          2HH1      ARG  37  11.883  -2.507  -4.757
  282   HH21  ARG  37          1HH2      ARG  37  11.163   0.223  -6.889
  283   HH22  ARG  37          2HH2      ARG  37  11.831  -1.337  -6.820
  Start of MODEL   19
    1    H1   GLY   1          1HT       GLY   1  -9.707  -1.081   7.087
    2    H2   GLY   1          2HT       GLY   1  -8.469  -2.213   6.985
    3    H3   GLY   1          3HT       GLY   1  -9.662  -2.169   5.795
    4    HA2  GLY   1          1HA       GLY   1  -8.925   0.011   5.110
    5    HA3  GLY   1          2HA       GLY   1  -7.641  -0.077   6.297
    6    H    ILE   2           H        ILE   2  -5.793  -1.294   5.825
    7    HA   ILE   2           HA       ILE   2  -5.272  -1.676   3.118
    8    HB   ILE   2           HB       ILE   2  -3.118  -2.625   3.893
    9   HG12  ILE   2          2HG1      ILE   2  -4.329  -2.234   6.653
   10   HG13  ILE   2          1HG1      ILE   2  -3.842  -3.762   5.937
   11   HG21  ILE   2          1HG2      ILE   2  -2.344  -0.551   4.952
   12   HG22  ILE   2          2HG2      ILE   2  -4.023  -0.081   5.222
   13   HG23  ILE   2          3HG2      ILE   2  -3.405  -0.246   3.578
   14   HD11  ILE   2          1HD1      ILE   2  -1.531  -3.096   5.996
   15   HD12  ILE   2          2HD1      ILE   2  -2.234  -2.886   7.609
   16   HD13  ILE   2          3HD1      ILE   2  -1.987  -1.491   6.543
   17    H    THR   3           H        THR   3  -4.955  -3.487   1.904
   18    HA   THR   3           HA       THR   3  -5.862  -6.040   2.961
   19    HB   THR   3           HB       THR   3  -6.937  -4.642   0.522
   20    HG1  THR   3          1HG       THR   3  -7.618  -4.448   3.092
   21   HG21  THR   3          1HG2      THR   3  -6.950  -7.075   0.264
   22   HG22  THR   3          2HG2      THR   3  -8.605  -6.495   0.468
   23   HG23  THR   3          3HG2      THR   3  -7.758  -7.254   1.819
   24    H    CYS   4           H        CYS   4  -5.023  -7.771   1.608
   25    HA   CYS   4           HA       CYS   4  -3.389  -6.882  -0.625
   26    HB2  CYS   4          2HB       CYS   4  -2.660  -9.118   1.273
   27    HB3  CYS   4          1HB       CYS   4  -1.777  -8.620  -0.171
   28    H    ASP   5           H        ASP   5  -4.887  -7.353  -2.063
   29    HA   ASP   5           HA       ASP   5  -5.705 -10.159  -2.358
   30    HB2  ASP   5          2HB       ASP   5  -7.500  -8.429  -2.578
   31    HB3  ASP   5          1HB       ASP   5  -6.580  -7.668  -3.871
   32    H    LEU   6           H        LEU   6  -3.904  -7.474  -3.566
   33    HA   LEU   6           HA       LEU   6  -2.576  -9.155  -5.521
   34    HB2  LEU   6          2HB       LEU   6  -2.956  -6.166  -5.354
   35    HB3  LEU   6          1HB       LEU   6  -1.978  -6.989  -6.552
   36    HG   LEU   6           HG       LEU   6  -4.955  -7.397  -6.262
   37   HD11  LEU   6          1HD1      LEU   6  -4.460  -5.082  -6.887
   38   HD12  LEU   6          2HD1      LEU   6  -5.173  -5.976  -8.227
   39   HD13  LEU   6          3HD1      LEU   6  -3.439  -5.656  -8.205
   40   HD21  LEU   6          1HD2      LEU   6  -2.996  -8.122  -8.432
   41   HD22  LEU   6          2HD2      LEU   6  -4.738  -8.394  -8.477
   42   HD23  LEU   6          3HD2      LEU   6  -3.747  -9.239  -7.294
   43    H    ILE   7           H        ILE   7  -0.368  -8.860  -5.541
   44    HA   ILE   7           HA       ILE   7   0.843  -7.734  -3.131
   45    HB   ILE   7           HB       ILE   7   1.820  -9.972  -4.955
   46   HG12  ILE   7          2HG1      ILE   7   0.850 -10.025  -2.089
   47   HG13  ILE   7          1HG1      ILE   7  -0.019 -10.634  -3.484
   48   HG21  ILE   7          1HG2      ILE   7   3.710  -8.662  -4.127
   49   HG22  ILE   7          2HG2      ILE   7   3.678 -10.251  -3.364
   50   HG23  ILE   7          3HG2      ILE   7   3.123  -8.836  -2.473
   51   HD11  ILE   7          1HD1      ILE   7   0.994 -12.440  -2.209
   52   HD12  ILE   7          2HD1      ILE   7   2.587 -11.712  -2.436
   53   HD13  ILE   7          3HD1      ILE   7   1.685 -12.322  -3.826
   54    H    GLY   8           H        GLY   8   2.277  -6.130  -3.475
   55    HA2  GLY   8          2HA       GLY   8   3.628  -4.657  -4.639
   56    HA3  GLY   8          1HA       GLY   8   3.443  -5.676  -6.047
   57    H    ASN   9           H        ASN   9   0.806  -5.673  -6.619
   58    HA   ASN   9           HA       ASN   9   0.459  -3.095  -7.867
   59    HB2  ASN   9          2HB       ASN   9   0.473  -5.372  -8.942
   60    HB3  ASN   9          1HB       ASN   9  -0.979  -5.713  -8.007
   61   HD21  ASN   9          1HD2      ASN   9  -2.190  -6.039  -9.786
   62   HD22  ASN   9          2HD2      ASN   9  -2.662  -4.731 -10.793
   63    H    GLU  10           H        GLU  10  -0.079  -3.647  -5.002
   64    HA   GLU  10           HA       GLU  10  -2.880  -4.059  -4.889
   65    HB2  GLU  10          2HB       GLU  10  -1.587  -5.440  -3.521
   66    HB3  GLU  10          1HB       GLU  10  -0.808  -4.090  -2.726
   67    HG2  GLU  10          2HG       GLU  10  -2.537  -5.104  -1.412
   68    HG3  GLU  10          1HG       GLU  10  -2.872  -3.399  -1.830
   69    H    ARG  11           H        ARG  11  -3.482  -2.318  -5.686
   70    HA   ARG  11           HA       ARG  11  -3.240   0.328  -4.901
   71    HB2  ARG  11          2HB       ARG  11  -5.724  -1.040  -5.906
   72    HB3  ARG  11          1HB       ARG  11  -5.519   0.698  -5.790
   73    HG2  ARG  11          2HG       ARG  11  -3.911  -1.176  -7.516
   74    HG3  ARG  11          1HG       ARG  11  -5.152  -0.046  -8.061
   75    HD2  ARG  11          2HD       ARG  11  -2.499   0.661  -6.790
   76    HD3  ARG  11          1HD       ARG  11  -2.949   0.882  -8.472
   77    HE   ARG  11           HE       ARG  11  -4.790   2.236  -6.828
   78   HH11  ARG  11          1HH1      ARG  11  -1.439   2.508  -7.910
   79   HH12  ARG  11          2HH1      ARG  11  -1.395   4.208  -7.815
   80   HH21  ARG  11          1HH2      ARG  11  -4.712   4.536  -6.624
   81   HH22  ARG  11          2HH2      ARG  11  -3.292   5.394  -7.040
   82    H    LEU  12           H        LEU  12  -5.053  -2.191  -3.198
   83    HA   LEU  12           HA       LEU  12  -6.511  -0.342  -1.569
   84    HB2  LEU  12          2HB       LEU  12  -5.905  -3.262  -1.105
   85    HB3  LEU  12          1HB       LEU  12  -7.063  -2.312  -0.196
   86    HG   LEU  12           HG       LEU  12  -7.247  -3.014  -3.120
   87   HD11  LEU  12          1HD1      LEU  12  -8.846  -3.960  -0.756
   88   HD12  LEU  12          2HD1      LEU  12  -7.689  -4.911  -1.688
   89   HD13  LEU  12          3HD1      LEU  12  -9.179  -4.348  -2.442
   90   HD21  LEU  12          1HD2      LEU  12  -8.204  -0.835  -2.734
   91   HD22  LEU  12          2HD2      LEU  12  -9.118  -1.445  -1.360
   92   HD23  LEU  12          3HD2      LEU  12  -9.497  -2.004  -2.990
   93    H    CYS  13           H        CYS  13  -3.372  -1.588  -1.562
   94    HA   CYS  13           HA       CYS  13  -2.860  -0.776   1.168
   95    HB2  CYS  13          2HB       CYS  13  -1.719  -2.741   0.386
   96    HB3  CYS  13          1HB       CYS  13  -1.123  -1.904  -1.038
   97    H    VAL  14           H        VAL  14  -2.138   0.159  -2.153
   98    HA   VAL  14           HA       VAL  14  -0.450   2.323  -1.755
   99    HB   VAL  14           HB       VAL  14  -2.537   2.089  -3.938
  100   HG11  VAL  14          1HG1      VAL  14   0.052   3.633  -3.868
  101   HG12  VAL  14          2HG1      VAL  14  -1.576   4.313  -3.830
  102   HG13  VAL  14          3HG1      VAL  14  -1.008   3.468  -5.269
  103   HG21  VAL  14          1HG2      VAL  14  -1.149   0.090  -3.838
  104   HG22  VAL  14          2HG2      VAL  14   0.306   1.085  -3.895
  105   HG23  VAL  14          3HG2      VAL  14  -0.785   1.035  -5.281
  106    H    VAL  15           H        VAL  15  -3.983   2.245  -1.688
  107    HA   VAL  15           HA       VAL  15  -4.358   5.022  -1.586
  108    HB   VAL  15           HB       VAL  15  -6.144   3.400  -2.118
  109   HG11  VAL  15          1HG1      VAL  15  -6.202   2.858   0.825
  110   HG12  VAL  15          2HG1      VAL  15  -5.770   1.722  -0.454
  111   HG13  VAL  15          3HG1      VAL  15  -7.426   2.324  -0.325
  112   HG21  VAL  15          1HG2      VAL  15  -7.988   4.581  -0.983
  113   HG22  VAL  15          2HG2      VAL  15  -6.762   5.679  -1.619
  114   HG23  VAL  15          3HG2      VAL  15  -6.811   5.315   0.106
  115    H    HIS  16           H        HIS  16  -3.507   2.756   0.936
  116    HA   HIS  16           HA       HIS  16  -4.146   4.476   3.128
  117    HB2  HIS  16          2HB       HIS  16  -3.930   2.065   3.496
  118    HB3  HIS  16          1HB       HIS  16  -2.269   2.047   2.963
  119    HD1  HIS  16          1HD       HIS  16  -4.423   3.053   5.854
  120    HD2  HIS  16          2HD       HIS  16  -0.412   2.725   4.863
  121    HE1  HIS  16          1HE       HIS  16  -3.126   3.404   8.015
  122    H    CYS  17           H        CYS  17  -1.405   3.809   1.168
  123    HA   CYS  17           HA       CYS  17   0.474   5.465   2.478
  124    HB2  CYS  17          2HB       CYS  17   0.419   4.517  -0.378
  125    HB3  CYS  17          1HB       CYS  17   1.838   4.999   0.549
  126    H    LEU  18           H        LEU  18  -1.738   5.931  -0.257
  127    HA   LEU  18           HA       LEU  18  -0.866   8.538  -0.940
  128    HB2  LEU  18          2HB       LEU  18  -3.572   7.258  -1.337
  129    HB3  LEU  18          1HB       LEU  18  -3.058   8.750  -2.088
  130    HG   LEU  18           HG       LEU  18  -1.876   6.021  -2.579
  131   HD11  LEU  18          1HD1      LEU  18  -2.868   6.247  -4.805
  132   HD12  LEU  18          2HD1      LEU  18  -3.605   7.773  -4.317
  133   HD13  LEU  18          3HD1      LEU  18  -4.094   6.269  -3.537
  134   HD21  LEU  18          1HD2      LEU  18  -0.621   7.113  -4.383
  135   HD22  LEU  18          2HD2      LEU  18  -0.177   7.758  -2.805
  136   HD23  LEU  18          3HD2      LEU  18  -1.246   8.678  -3.868
  137    H    ALA  19           H        ALA  19  -3.184   7.325   1.382
  138    HA   ALA  19           HA       ALA  19  -4.219   9.855   2.121
  139    HB1  ALA  19          1HB       ALA  19  -4.128   7.290   3.710
  140    HB2  ALA  19          2HB       ALA  19  -5.407   7.759   2.589
  141    HB3  ALA  19          3HB       ALA  19  -5.140   8.691   4.063
  142    H    LYS  20           H        LYS  20  -1.641   7.814   3.440
  143    HA   LYS  20           HA       LYS  20  -1.000   9.626   5.534
  144    HB2  LYS  20          2HB       LYS  20   0.444   7.260   4.412
  145    HB3  LYS  20          1HB       LYS  20   1.219   8.306   5.589
  146    HG2  LYS  20          2HG       LYS  20  -0.674   7.842   7.145
  147    HG3  LYS  20          1HG       LYS  20  -1.296   6.677   5.976
  148    HD2  LYS  20          2HD       LYS  20   0.632   5.321   6.155
  149    HD3  LYS  20          1HD       LYS  20   1.502   6.552   7.076
  150    HE2  LYS  20          2HE       LYS  20  -0.958   5.063   7.984
  151    HE3  LYS  20          1HE       LYS  20   0.696   4.709   8.475
  152    HZ1  LYS  20          1HZ       LYS  20  -0.783   7.229   9.028
  153    HZ2  LYS  20          2HZ       LYS  20   0.816   6.947   9.432
  154    HZ3  LYS  20          3HZ       LYS  20  -0.397   6.028  10.151
  155    H    GLY  21           H        GLY  21  -0.077   9.512   2.242
  156    HA2  GLY  21          2HA       GLY  21   0.733  11.518   1.204
  157    HA3  GLY  21          1HA       GLY  21   1.522  11.939   2.721
  158    H    PHE  22           H        PHE  22   1.522   8.981   0.861
  159    HA   PHE  22           HA       PHE  22   4.445   9.064   0.789
  160    HB2  PHE  22          2HB       PHE  22   2.445   6.876   0.929
  161    HB3  PHE  22          1HB       PHE  22   3.992   6.485   0.192
  162    HD1  PHE  22          1HD       PHE  22   2.308   7.546   3.281
  163    HD2  PHE  22          2HD       PHE  22   5.892   6.329   1.406
  164    HE1  PHE  22          1HE       PHE  22   3.332   7.161   5.490
  165    HE2  PHE  22          2HE       PHE  22   6.923   5.942   3.460
  166    HZ   PHE  22           HZ       PHE  22   5.661   6.355   5.628
  167    H    ARG  23           H        ARG  23   5.448   8.148  -1.087
  168    HA   ARG  23           HA       ARG  23   4.371   9.136  -3.513
  169    HB2  ARG  23          2HB       ARG  23   6.700   7.283  -3.021
  170    HB3  ARG  23          1HB       ARG  23   6.323   8.040  -4.563
  171    HG2  ARG  23          2HG       ARG  23   6.671  10.232  -3.589
  172    HG3  ARG  23          1HG       ARG  23   7.016   9.493  -2.025
  173    HD2  ARG  23          2HD       ARG  23   8.899   8.286  -3.068
  174    HD3  ARG  23          1HD       ARG  23   8.575   9.147  -4.571
  175    HE   ARG  23           HE       ARG  23   8.831  11.107  -2.743
  176   HH11  ARG  23          1HH1      ARG  23  10.869   8.385  -3.714
  177   HH12  ARG  23          2HH1      ARG  23  12.341   9.143  -3.345
  178   HH21  ARG  23          1HH2      ARG  23  10.903  12.206  -2.278
  179   HH22  ARG  23          2HH2      ARG  23  12.357  11.355  -2.548
  180    H    GLY  24           H        GLY  24   4.148   6.194  -1.753
  181    HA2  GLY  24          2HA       GLY  24   1.948   5.281  -3.017
  182    HA3  GLY  24          1HA       GLY  24   3.276   4.642  -3.976
  183    H    GLY  25           H        GLY  25   2.109   2.683  -3.154
  184    HA2  GLY  25          2HA       GLY  25   3.566   1.716  -0.882
  185    HA3  GLY  25          1HA       GLY  25   1.813   1.752  -0.727
  186    H    TRP  26           H        TRP  26   2.987  -0.606  -0.549
  187    HA   TRP  26           HA       TRP  26   1.828  -2.014  -2.724
  188    HB2  TRP  26          2HB       TRP  26   3.792  -3.065  -3.626
  189    HB3  TRP  26          1HB       TRP  26   4.109  -1.343  -3.642
  190    HD1  TRP  26           HD       TRP  26   5.675  -4.519  -2.728
  191    HE1  TRP  26          1HE       TRP  26   7.746  -4.164  -1.244
  192    HE3  TRP  26          3HE       TRP  26   4.960   0.359  -1.468
  193    HZ2  TRP  26          2HZ       TRP  26   8.900  -2.132   0.255
  194    HZ3  TRP  26          3HZ       TRP  26   6.563   1.467   0.011
  195    HH2  TRP  26           HH       TRP  26   8.537   0.227   0.869
  196    H    CYS  27           H        CYS  27   1.373  -4.094  -2.070
  197    HA   CYS  27           HA       CYS  27   2.065  -4.749   0.676
  198    HB2  CYS  27          2HB       CYS  27  -0.270  -5.135  -0.042
  199    HB3  CYS  27          1HB       CYS  27   0.300  -6.202  -1.323
  200    H    ASP  28           H        ASP  28   3.643  -6.167   1.129
  201    HA   ASP  28           HA       ASP  28   5.092  -7.179  -1.193
  202    HB2  ASP  28          2HB       ASP  28   7.046  -7.354   0.175
  203    HB3  ASP  28          1HB       ASP  28   6.240  -5.885   0.659
  204    H    SER  29           H        SER  29   6.400  -9.399  -0.290
  205    HA   SER  29           HA       SER  29   4.463 -11.349  -0.787
  206    HB2  SER  29          2HB       SER  29   6.438 -12.883  -0.400
  207    HB3  SER  29          1HB       SER  29   6.638 -11.649  -1.643
  208    HG   SER  29           HG       SER  29   8.057 -12.059   0.577
  209    H    ARG  30           H        ARG  30   5.601 -10.005   2.181
  210    HA   ARG  30           HA       ARG  30   4.858 -12.276   3.826
  211    HB2  ARG  30          2HB       ARG  30   5.438  -9.416   4.566
  212    HB3  ARG  30          1HB       ARG  30   5.274 -10.750   5.693
  213    HG2  ARG  30          2HG       ARG  30   7.290 -11.732   4.951
  214    HG3  ARG  30          1HG       ARG  30   7.364 -10.661   3.546
  215    HD2  ARG  30          2HD       ARG  30   7.575  -9.815   6.436
  216    HD3  ARG  30          1HD       ARG  30   8.900  -9.883   5.266
  217    HE   ARG  30           HE       ARG  30   7.035  -8.339   4.070
  218   HH11  ARG  30          1HH1      ARG  30   8.923  -8.052   7.068
  219   HH12  ARG  30          2HH1      ARG  30   8.676  -6.376   7.206
  220   HH21  ARG  30          1HH2      ARG  30   6.726  -6.134   4.249
  221   HH22  ARG  30          2HH2      ARG  30   7.434  -5.200   5.506
  222    H    LYS  31           H        LYS  31   3.137 -10.058   2.112
  223    HA   LYS  31           HA       LYS  31   1.025  -9.373   2.012
  224    HB2  LYS  31          2HB       LYS  31   0.553 -11.168   4.417
  225    HB3  LYS  31          1HB       LYS  31  -0.720 -10.327   3.552
  226    HG2  LYS  31          2HG       LYS  31   1.087 -12.451   2.410
  227    HG3  LYS  31          1HG       LYS  31  -0.595 -12.664   2.893
  228    HD2  LYS  31          2HD       LYS  31  -1.255 -10.981   1.198
  229    HD3  LYS  31          1HD       LYS  31   0.429 -10.868   0.688
  230    HE2  LYS  31          2HE       LYS  31  -0.761 -12.325  -0.814
  231    HE3  LYS  31          1HE       LYS  31   0.386 -13.268   0.129
  232    HZ1  LYS  31          1HZ       LYS  31  -1.799 -14.342  -0.074
  233    HZ2  LYS  31          2HZ       LYS  31  -2.526 -13.072   0.729
  234    HZ3  LYS  31          3HZ       LYS  31  -1.415 -14.036   1.530
  235    H    VAL  32           H        VAL  32   3.056  -7.993   3.399
  236    HA   VAL  32           HA       VAL  32   1.532  -6.519   5.394
  237    HB   VAL  32           HB       VAL  32   4.502  -6.407   4.762
  238   HG11  VAL  32          1HG1      VAL  32   4.704  -5.089   6.825
  239   HG12  VAL  32          2HG1      VAL  32   2.950  -5.105   7.005
  240   HG13  VAL  32          3HG1      VAL  32   3.688  -4.276   5.635
  241   HG21  VAL  32          1HG2      VAL  32   3.069  -7.638   7.112
  242   HG22  VAL  32          2HG2      VAL  32   4.819  -7.556   6.888
  243   HG23  VAL  32          3HG2      VAL  32   3.830  -8.520   5.791
  244    H    CYS  33           H        CYS  33   0.831  -4.514   4.932
  245    HA   CYS  33           HA       CYS  33   1.228  -3.398   2.308
  246    HB2  CYS  33          2HB       CYS  33  -0.978  -3.080   3.606
  247    HB3  CYS  33          1HB       CYS  33  -0.040  -2.160   4.758
  248    H    ASN  34           H        ASN  34   3.019  -2.207   1.820
  249    HA   ASN  34           HA       ASN  34   4.343  -0.788   4.042
  250    HB2  ASN  34          2HB       ASN  34   5.688  -1.764   1.509
  251    HB3  ASN  34          1HB       ASN  34   6.459  -1.065   2.921
  252   HD21  ASN  34          1HD2      ASN  34   5.127  -3.837   1.488
  253   HD22  ASN  34          2HD2      ASN  34   5.586  -4.997   2.674
  254    H    CYS  35           H        CYS  35   4.845   1.340   3.646
  255    HA   CYS  35           HA       CYS  35   4.008   2.390   1.035
  256    HB2  CYS  35          2HB       CYS  35   3.980   3.745   3.743
  257    HB3  CYS  35          1HB       CYS  35   3.516   4.494   2.225
  258    H    ARG  36           H        ARG  36   5.498   3.390  -0.164
  259    HA   ARG  36           HA       ARG  36   7.559   5.037   0.633
  260    HB2  ARG  36          2HB       ARG  36   8.544   3.014   1.725
  261    HB3  ARG  36          1HB       ARG  36   8.559   2.217   0.161
  262    HG2  ARG  36          2HG       ARG  36  10.094   3.995  -0.657
  263    HG3  ARG  36          1HG       ARG  36  10.145   4.617   0.996
  264    HD2  ARG  36          2HD       ARG  36  10.926   1.821   0.175
  265    HD3  ARG  36          1HD       ARG  36  12.068   3.131   0.462
  266    HE   ARG  36           HE       ARG  36  10.886   3.132   2.772
  267   HH11  ARG  36          1HH1      ARG  36  11.746   0.248   0.898
  268   HH12  ARG  36          2HH1      ARG  36  12.024  -0.740   2.254
  269   HH21  ARG  36          1HH2      ARG  36  11.303   1.786   4.643
  270   HH22  ARG  36          2HH2      ARG  36  11.759   0.155   4.442
  271    H    ARG  37           H        ARG  37   6.815   2.353  -1.569
  272    HA   ARG  37           HA       ARG  37   8.309   3.500  -3.722
  273    HB2  ARG  37          2HB       ARG  37   6.543   1.061  -3.592
  274    HB3  ARG  37          1HB       ARG  37   7.490   1.527  -4.999
  275    HG2  ARG  37          2HG       ARG  37   9.531   1.337  -3.612
  276    HG3  ARG  37          1HG       ARG  37   8.476   0.822  -2.284
  277    HD2  ARG  37          2HD       ARG  37   9.538  -1.097  -3.461
  278    HD3  ARG  37          1HD       ARG  37   7.780  -1.131  -3.495
  279    HE   ARG  37           HE       ARG  37   8.810   0.141  -5.805
  280   HH11  ARG  37          1HH1      ARG  37   8.418  -3.075  -4.377
  281   HH12  ARG  37          2HH1      ARG  37   8.301  -3.883  -5.865
  282   HH21  ARG  37          1HH2      ARG  37   8.658  -1.004  -7.871
  283   HH22  ARG  37          2HH2      ARG  37   8.463  -2.703  -7.890
  Start of MODEL   20
    1    H1   GLY   1          1HT       GLY   1 -10.116  -0.711   5.642
    2    H2   GLY   1          2HT       GLY   1  -9.399  -2.232   5.422
    3    H3   GLY   1          3HT       GLY   1  -9.673  -1.259   4.095
    4    HA2  GLY   1          1HA       GLY   1  -8.083   0.343   4.911
    5    HA3  GLY   1          2HA       GLY   1  -7.800  -0.713   6.295
    6    H    ILE   2           H        ILE   2  -5.636  -1.163   5.786
    7    HA   ILE   2           HA       ILE   2  -4.936  -2.020   3.196
    8    HB   ILE   2           HB       ILE   2  -2.751  -2.590   4.282
    9   HG12  ILE   2          2HG1      ILE   2  -4.095  -1.378   6.727
   10   HG13  ILE   2          1HG1      ILE   2  -3.540  -3.037   6.560
   11   HG21  ILE   2          1HG2      ILE   2  -2.141  -0.233   4.591
   12   HG22  ILE   2          2HG2      ILE   2  -3.858   0.183   4.620
   13   HG23  ILE   2          3HG2      ILE   2  -3.142  -0.511   3.165
   14   HD11  ILE   2          1HD1      ILE   2  -1.259  -2.293   6.453
   15   HD12  ILE   2          2HD1      ILE   2  -2.036  -1.642   7.904
   16   HD13  ILE   2          3HD1      ILE   2  -1.788  -0.613   6.485
   17    H    THR   3           H        THR   3  -5.290  -3.854   2.378
   18    HA   THR   3           HA       THR   3  -4.935  -6.317   3.881
   19    HB   THR   3           HB       THR   3  -7.364  -5.928   2.087
   20    HG1  THR   3          1HG       THR   3  -6.942  -5.419   4.801
   21   HG21  THR   3          1HG2      THR   3  -8.130  -7.995   3.202
   22   HG22  THR   3          2HG2      THR   3  -6.615  -8.056   4.103
   23   HG23  THR   3          3HG2      THR   3  -6.604  -8.225   2.350
   24    H    CYS   4           H        CYS   4  -4.046  -7.898   2.505
   25    HA   CYS   4           HA       CYS   4  -3.525  -6.872  -0.178
   26    HB2  CYS   4          2HB       CYS   4  -1.768  -8.625   1.502
   27    HB3  CYS   4          1HB       CYS   4  -1.409  -8.042  -0.124
   28    H    ASP   5           H        ASP   5  -4.766  -7.858  -1.587
   29    HA   ASP   5           HA       ASP   5  -4.992 -10.768  -1.458
   30    HB2  ASP   5          2HB       ASP   5  -7.082  -9.468  -1.843
   31    HB3  ASP   5          1HB       ASP   5  -6.353  -8.718  -3.248
   32    H    LEU   6           H        LEU   6  -3.878  -8.012  -3.291
   33    HA   LEU   6           HA       LEU   6  -2.281  -9.753  -4.979
   34    HB2  LEU   6          2HB       LEU   6  -3.168  -6.899  -5.336
   35    HB3  LEU   6          1HB       LEU   6  -1.988  -7.689  -6.358
   36    HG   LEU   6           HG       LEU   6  -4.871  -8.507  -6.052
   37   HD11  LEU   6          1HD1      LEU   6  -5.118  -7.679  -8.328
   38   HD12  LEU   6          2HD1      LEU   6  -3.427  -7.205  -8.359
   39   HD13  LEU   6          3HD1      LEU   6  -4.550  -6.384  -7.273
   40   HD21  LEU   6          1HD2      LEU   6  -3.479 -10.424  -6.507
   41   HD22  LEU   6          2HD2      LEU   6  -2.653  -9.550  -7.793
   42   HD23  LEU   6          3HD2      LEU   6  -4.352  -9.979  -7.975
   43    H    ILE   7           H        ILE   7  -0.239  -9.053  -5.413
   44    HA   ILE   7           HA       ILE   7   1.123  -7.676  -3.220
   45    HB   ILE   7           HB       ILE   7   2.163  -9.619  -5.316
   46   HG12  ILE   7          2HG1      ILE   7   1.898  -9.910  -2.325
   47   HG13  ILE   7          1HG1      ILE   7   0.772 -10.568  -3.490
   48   HG21  ILE   7          1HG2      ILE   7   3.667  -8.277  -3.062
   49   HG22  ILE   7          2HG2      ILE   7   3.885  -7.962  -4.782
   50   HG23  ILE   7          3HG2      ILE   7   4.307  -9.539  -4.114
   51   HD11  ILE   7          1HD1      ILE   7   2.369 -12.234  -2.623
   52   HD12  ILE   7          2HD1      ILE   7   3.683 -11.296  -3.367
   53   HD13  ILE   7          3HD1      ILE   7   2.442 -12.029  -4.371
   54    H    GLY   8           H        GLY   8   1.799  -5.725  -3.638
   55    HA2  GLY   8          2HA       GLY   8   2.631  -3.874  -4.752
   56    HA3  GLY   8          1HA       GLY   8   2.897  -4.909  -6.141
   57    H    ASN   9           H        ASN   9   0.122  -5.668  -6.445
   58    HA   ASN   9           HA       ASN   9  -0.742  -3.275  -7.926
   59    HB2  ASN   9          2HB       ASN   9  -1.633  -6.158  -8.088
   60    HB3  ASN   9          1HB       ASN   9  -2.335  -4.870  -9.053
   61   HD21  ASN   9          1HD2      ASN   9  -1.001  -7.288  -9.948
   62   HD22  ASN   9          2HD2      ASN   9   0.334  -6.756 -10.882
   63    H    GLU  10           H        GLU  10  -1.138  -4.181  -5.043
   64    HA   GLU  10           HA       GLU  10  -3.979  -4.365  -4.815
   65    HB2  GLU  10          2HB       GLU  10  -2.546  -5.792  -3.517
   66    HB3  GLU  10          1HB       GLU  10  -1.768  -4.421  -2.766
   67    HG2  GLU  10          2HG       GLU  10  -3.320  -5.374  -1.302
   68    HG3  GLU  10          1HG       GLU  10  -3.897  -3.784  -1.830
   69    H    ARG  11           H        ARG  11  -4.275  -2.389  -5.712
   70    HA   ARG  11           HA       ARG  11  -3.377   0.083  -4.809
   71    HB2  ARG  11          2HB       ARG  11  -5.948  -0.521  -6.229
   72    HB3  ARG  11          1HB       ARG  11  -5.280   1.091  -6.004
   73    HG2  ARG  11          2HG       ARG  11  -3.243   0.329  -7.203
   74    HG3  ARG  11          1HG       ARG  11  -4.079  -1.180  -7.561
   75    HD2  ARG  11          2HD       ARG  11  -4.262   0.335  -9.435
   76    HD3  ARG  11          1HD       ARG  11  -5.847   0.090  -8.699
   77    HE   ARG  11           HE       ARG  11  -4.645   2.325  -7.549
   78   HH11  ARG  11          1HH1      ARG  11  -5.955   1.357 -10.676
   79   HH12  ARG  11          2HH1      ARG  11  -6.523   2.897 -11.104
   80   HH21  ARG  11          1HH2      ARG  11  -5.410   4.479  -8.100
   81   HH22  ARG  11          2HH2      ARG  11  -6.200   4.735  -9.587
   82    H    LEU  12           H        LEU  12  -6.016  -1.826  -3.546
   83    HA   LEU  12           HA       LEU  12  -7.176   0.216  -1.962
   84    HB2  LEU  12          2HB       LEU  12  -7.147  -2.776  -1.619
   85    HB3  LEU  12          1HB       LEU  12  -8.070  -1.704  -0.586
   86    HG   LEU  12           HG       LEU  12  -8.476  -1.990  -3.568
   87   HD11  LEU  12          1HD1      LEU  12 -10.519  -3.178  -2.970
   88   HD12  LEU  12          2HD1      LEU  12 -10.070  -3.082  -1.267
   89   HD13  LEU  12          3HD1      LEU  12  -9.086  -4.024  -2.385
   90   HD21  LEU  12          1HD2      LEU  12 -10.069  -0.543  -1.453
   91   HD22  LEU  12          2HD2      LEU  12 -10.557  -0.759  -3.129
   92   HD23  LEU  12          3HD2      LEU  12  -9.134   0.207  -2.749
   93    H    CYS  13           H        CYS  13  -4.326  -1.621  -1.647
   94    HA   CYS  13           HA       CYS  13  -3.922  -0.860   1.105
   95    HB2  CYS  13          2HB       CYS  13  -3.083  -3.003   0.532
   96    HB3  CYS  13          1HB       CYS  13  -2.283  -2.390  -0.917
   97    H    VAL  14           H        VAL  14  -2.564  -0.226  -2.095
   98    HA   VAL  14           HA       VAL  14  -0.548   1.579  -1.457
   99    HB   VAL  14           HB       VAL  14  -2.258   1.672  -3.943
  100   HG11  VAL  14          1HG1      VAL  14  -0.252   2.572  -5.047
  101   HG12  VAL  14          2HG1      VAL  14   0.583   2.575  -3.492
  102   HG13  VAL  14          3HG1      VAL  14  -0.823   3.612  -3.741
  103   HG21  VAL  14          1HG2      VAL  14   0.213   0.018  -3.421
  104   HG22  VAL  14          2HG2      VAL  14  -0.616   0.154  -4.974
  105   HG23  VAL  14          3HG2      VAL  14  -1.429  -0.597  -3.599
  106    H    VAL  15           H        VAL  15  -3.984   2.192  -2.042
  107    HA   VAL  15           HA       VAL  15  -3.936   4.967  -2.117
  108    HB   VAL  15           HB       VAL  15  -5.898   3.611  -2.762
  109   HG11  VAL  15          1HG1      VAL  15  -6.345   3.263   0.183
  110   HG12  VAL  15          2HG1      VAL  15  -5.919   2.002  -0.974
  111   HG13  VAL  15          3HG1      VAL  15  -7.483   2.812  -1.088
  112   HG21  VAL  15          1HG2      VAL  15  -6.521   5.681  -0.667
  113   HG22  VAL  15          2HG2      VAL  15  -7.640   5.107  -1.905
  114   HG23  VAL  15          3HG2      VAL  15  -6.187   5.996  -2.366
  115    H    HIS  16           H        HIS  16  -3.737   2.843   0.628
  116    HA   HIS  16           HA       HIS  16  -4.441   4.720   2.632
  117    HB2  HIS  16          2HB       HIS  16  -4.409   2.323   3.135
  118    HB3  HIS  16          1HB       HIS  16  -2.712   2.234   2.712
  119    HD1  HIS  16          1HD       HIS  16  -4.959   3.670   5.437
  120    HD2  HIS  16          2HD       HIS  16  -1.014   2.572   4.756
  121    HE1  HIS  16          1HE       HIS  16  -3.799   3.864   7.646
  122    H    CYS  17           H        CYS  17  -1.450   3.810   1.097
  123    HA   CYS  17           HA       CYS  17   0.294   5.542   2.599
  124    HB2  CYS  17          2HB       CYS  17   0.681   4.314  -0.121
  125    HB3  CYS  17          1HB       CYS  17   1.932   4.866   0.991
  126    H    LEU  18           H        LEU  18  -1.432   5.745  -0.461
  127    HA   LEU  18           HA       LEU  18  -0.278   8.205  -1.260
  128    HB2  LEU  18          2HB       LEU  18  -2.944   7.033  -2.046
  129    HB3  LEU  18          1HB       LEU  18  -2.094   8.307  -2.893
  130    HG   LEU  18           HG       LEU  18  -1.231   5.431  -2.644
  131   HD11  LEU  18          1HD1      LEU  18  -1.585   5.355  -5.056
  132   HD12  LEU  18          2HD1      LEU  18  -2.192   7.010  -5.015
  133   HD13  LEU  18          3HD1      LEU  18  -3.065   5.727  -4.176
  134   HD21  LEU  18          1HD2      LEU  18   0.727   6.892  -2.653
  135   HD22  LEU  18          2HD2      LEU  18   0.123   7.706  -4.099
  136   HD23  LEU  18          3HD2      LEU  18   0.594   6.010  -4.173
  137    H    ALA  19           H        ALA  19  -3.044   7.360   0.710
  138    HA   ALA  19           HA       ALA  19  -4.058  10.000   0.947
  139    HB1  ALA  19          1HB       ALA  19  -4.410   7.625   2.768
  140    HB2  ALA  19          2HB       ALA  19  -5.428   8.023   1.384
  141    HB3  ALA  19          3HB       ALA  19  -5.382   9.096   2.784
  142    H    LYS  20           H        LYS  20  -1.903   8.000   2.930
  143    HA   LYS  20           HA       LYS  20  -1.516   9.892   4.984
  144    HB2  LYS  20          2HB       LYS  20   0.129   7.549   4.086
  145    HB3  LYS  20          1HB       LYS  20   0.702   8.616   5.356
  146    HG2  LYS  20          2HG       LYS  20  -1.371   8.100   6.641
  147    HG3  LYS  20          1HG       LYS  20  -1.805   6.943   5.389
  148    HD2  LYS  20          2HD       LYS  20   0.079   5.587   5.854
  149    HD3  LYS  20          1HD       LYS  20   0.797   6.823   6.890
  150    HE2  LYS  20          2HE       LYS  20  -0.950   6.558   8.512
  151    HE3  LYS  20          1HE       LYS  20  -1.833   5.468   7.448
  152    HZ1  LYS  20          1HZ       LYS  20   0.824   4.909   8.664
  153    HZ2  LYS  20          2HZ       LYS  20  -0.058   3.870   7.650
  154    HZ3  LYS  20          3HZ       LYS  20  -0.654   4.260   9.156
  155    H    GLY  21           H        GLY  21  -0.042   9.568   1.884
  156    HA2  GLY  21          2HA       GLY  21   0.853  11.573   0.859
  157    HA3  GLY  21          1HA       GLY  21   1.441  12.056   2.450
  158    H    PHE  22           H        PHE  22   1.605   9.147   0.531
  159    HA   PHE  22           HA       PHE  22   4.493   9.131   0.892
  160    HB2  PHE  22          2HB       PHE  22   2.461   6.987   1.104
  161    HB3  PHE  22          1HB       PHE  22   3.984   6.467   0.429
  162    HD1  PHE  22          1HD       PHE  22   2.224   7.661   3.363
  163    HD2  PHE  22          2HD       PHE  22   5.969   6.604   1.694
  164    HE1  PHE  22          1HE       PHE  22   3.184   7.497   5.622
  165    HE2  PHE  22          2HE       PHE  22   6.935   6.426   3.842
  166    HZ   PHE  22           HZ       PHE  22   5.563   6.877   5.893
  167    H    ARG  23           H        ARG  23   5.715   8.246  -0.790
  168    HA   ARG  23           HA       ARG  23   4.839   9.077  -3.388
  169    HB2  ARG  23          2HB       ARG  23   7.320   7.581  -2.512
  170    HB3  ARG  23          1HB       ARG  23   7.027   8.115  -4.155
  171    HG2  ARG  23          2HG       ARG  23   7.256   9.937  -1.767
  172    HG3  ARG  23          1HG       ARG  23   8.557   9.580  -2.902
  173    HD2  ARG  23          2HD       ARG  23   5.918  10.868  -3.596
  174    HD3  ARG  23          1HD       ARG  23   7.450  11.715  -3.404
  175    HE   ARG  23           HE       ARG  23   7.680   9.642  -5.314
  176   HH11  ARG  23          1HH1      ARG  23   6.250  12.863  -4.974
  177   HH12  ARG  23          2HH1      ARG  23   6.440  13.262  -6.616
  178   HH21  ARG  23          1HH2      ARG  23   7.903  10.172  -7.531
  179   HH22  ARG  23          2HH2      ARG  23   7.404  11.685  -8.122
  180    H    GLY  24           H        GLY  24   4.603   6.271  -1.521
  181    HA2  GLY  24          2HA       GLY  24   2.761   5.075  -3.099
  182    HA3  GLY  24          1HA       GLY  24   4.302   4.496  -3.711
  183    H    GLY  25           H        GLY  25   2.243   3.008  -2.555
  184    HA2  GLY  25          2HA       GLY  25   3.686   1.856  -0.307
  185    HA3  GLY  25          1HA       GLY  25   1.932   2.064  -0.267
  186    H    TRP  26           H        TRP  26   3.073  -0.459  -0.084
  187    HA   TRP  26           HA       TRP  26   1.873  -1.680  -2.375
  188    HB2  TRP  26          2HB       TRP  26   3.813  -2.756  -3.293
  189    HB3  TRP  26          1HB       TRP  26   4.157  -1.035  -3.222
  190    HD1  TRP  26           HD       TRP  26   5.634  -4.290  -2.408
  191    HE1  TRP  26          1HE       TRP  26   7.719  -4.025  -0.898
  192    HE3  TRP  26          3HE       TRP  26   5.065   0.562  -0.979
  193    HZ2  TRP  26          2HZ       TRP  26   8.923  -2.093   0.690
  194    HZ3  TRP  26          3HZ       TRP  26   6.702   1.556   0.548
  195    HH2  TRP  26           HH       TRP  26   8.626   0.216   1.370
  196    H    CYS  27           H        CYS  27   1.408  -3.771  -1.999
  197    HA   CYS  27           HA       CYS  27   2.000  -4.923   0.582
  198    HB2  CYS  27          2HB       CYS  27   0.535  -5.970  -1.840
  199    HB3  CYS  27          1HB       CYS  27   0.760  -6.880  -0.353
  200    H    ASP  28           H        ASP  28   3.813  -6.013   0.842
  201    HA   ASP  28           HA       ASP  28   5.258  -6.812  -1.548
  202    HB2  ASP  28          2HB       ASP  28   7.174  -7.239  -0.157
  203    HB3  ASP  28          1HB       ASP  28   6.460  -5.743   0.416
  204    H    SER  29           H        SER  29   6.471  -9.101  -1.033
  205    HA   SER  29           HA       SER  29   4.536 -11.006  -1.625
  206    HB2  SER  29          2HB       SER  29   6.939 -11.112  -2.282
  207    HB3  SER  29          1HB       SER  29   7.343 -11.521  -0.620
  208    HG   SER  29           HG       SER  29   5.857 -13.019  -2.501
  209    H    ARG  30           H        ARG  30   5.650  -9.984   1.517
  210    HA   ARG  30           HA       ARG  30   4.715 -12.342   2.924
  211    HB2  ARG  30          2HB       ARG  30   5.519  -9.625   3.948
  212    HB3  ARG  30          1HB       ARG  30   5.236 -11.051   4.929
  213    HG2  ARG  30          2HG       ARG  30   7.171 -12.108   4.140
  214    HG3  ARG  30          1HG       ARG  30   7.351 -10.957   2.806
  215    HD2  ARG  30          2HD       ARG  30   7.598 -10.345   5.744
  216    HD3  ARG  30          1HD       ARG  30   8.928 -10.426   4.579
  217    HE   ARG  30           HE       ARG  30   7.061  -8.639   3.580
  218   HH11  ARG  30          1HH1      ARG  30   9.306  -8.760   6.306
  219   HH12  ARG  30          2HH1      ARG  30   9.411  -7.073   6.469
  220   HH21  ARG  30          1HH2      ARG  30   7.107  -6.397   3.839
  221   HH22  ARG  30          2HH2      ARG  30   8.116  -5.657   5.015
  222    H    LYS  31           H        LYS  31   3.102  -9.964   1.380
  223    HA   LYS  31           HA       LYS  31   0.954  -9.246   1.313
  224    HB2  LYS  31          2HB       LYS  31   0.475 -11.059   3.700
  225    HB3  LYS  31          1HB       LYS  31  -0.773 -10.295   2.736
  226    HG2  LYS  31          2HG       LYS  31   1.190 -12.316   1.658
  227    HG3  LYS  31          1HG       LYS  31  -0.404 -12.724   2.275
  228    HD2  LYS  31          2HD       LYS  31  -1.416 -11.294   0.517
  229    HD3  LYS  31          1HD       LYS  31   0.203 -10.950  -0.103
  230    HE2  LYS  31          2HE       LYS  31   0.573 -13.267  -0.617
  231    HE3  LYS  31          1HE       LYS  31  -0.925 -13.730   0.179
  232    HZ1  LYS  31          1HZ       LYS  31  -2.162 -12.602  -1.564
  233    HZ2  LYS  31          2HZ       LYS  31  -1.150 -13.748  -2.204
  234    HZ3  LYS  31          3HZ       LYS  31  -0.739 -12.138  -2.351
  235    H    VAL  32           H        VAL  32   3.055  -8.050   2.966
  236    HA   VAL  32           HA       VAL  32   1.524  -6.646   5.038
  237    HB   VAL  32           HB       VAL  32   4.498  -6.538   4.428
  238   HG11  VAL  32          1HG1      VAL  32   4.715  -5.473   6.627
  239   HG12  VAL  32          2HG1      VAL  32   2.962  -5.498   6.811
  240   HG13  VAL  32          3HG1      VAL  32   3.700  -4.520   5.542
  241   HG21  VAL  32          1HG2      VAL  32   3.056  -8.038   6.603
  242   HG22  VAL  32          2HG2      VAL  32   4.807  -7.901   6.425
  243   HG23  VAL  32          3HG2      VAL  32   3.855  -8.748   5.203
  244    H    CYS  33           H        CYS  33   0.973  -4.638   4.881
  245    HA   CYS  33           HA       CYS  33   1.439  -3.251   2.413
  246    HB2  CYS  33          2HB       CYS  33  -0.406  -2.802   4.752
  247    HB3  CYS  33          1HB       CYS  33  -0.015  -1.501   3.632
  248    H    ASN  34           H        ASN  34   3.159  -2.144   2.163
  249    HA   ASN  34           HA       ASN  34   4.403  -0.816   4.489
  250    HB2  ASN  34          2HB       ASN  34   5.752  -1.571   1.885
  251    HB3  ASN  34          1HB       ASN  34   6.517  -1.045   3.370
  252   HD21  ASN  34          1HD2      ASN  34   5.115  -3.665   1.641
  253   HD22  ASN  34          2HD2      ASN  34   5.603  -4.942   2.692
  254    H    CYS  35           H        CYS  35   4.669   1.402   4.243
  255    HA   CYS  35           HA       CYS  35   4.134   2.534   1.571
  256    HB2  CYS  35          2HB       CYS  35   3.852   3.968   4.237
  257    HB3  CYS  35          1HB       CYS  35   3.409   4.567   2.654
  258    H    ARG  36           H        ARG  36   5.969   3.354   0.608
  259    HA   ARG  36           HA       ARG  36   7.888   4.947   1.800
  260    HB2  ARG  36          2HB       ARG  36   8.263   2.839   3.182
  261    HB3  ARG  36          1HB       ARG  36   8.894   2.118   1.714
  262    HG2  ARG  36          2HG       ARG  36  10.654   3.746   1.625
  263    HG3  ARG  36          1HG       ARG  36  10.001   4.562   3.052
  264    HD2  ARG  36          2HD       ARG  36  11.068   1.744   2.916
  265    HD3  ARG  36          1HD       ARG  36  11.834   3.111   3.720
  266    HE   ARG  36           HE       ARG  36   9.837   3.155   5.192
  267   HH11  ARG  36          1HH1      ARG  36  10.800   0.117   3.621
  268   HH12  ARG  36          2HH1      ARG  36  10.028  -0.867   4.755
  269   HH21  ARG  36          1HH2      ARG  36   8.783   1.780   6.754
  270   HH22  ARG  36          2HH2      ARG  36   8.869   0.091   6.624
  271    H    ARG  37           H        ARG  37   6.848   2.926  -0.820
  272    HA   ARG  37           HA       ARG  37   9.271   3.560  -2.293
  273    HB2  ARG  37          2HB       ARG  37   7.108   1.522  -2.869
  274    HB3  ARG  37          1HB       ARG  37   8.333   1.961  -4.052
  275    HG2  ARG  37          2HG       ARG  37   8.706   0.651  -1.382
  276    HG3  ARG  37          1HG       ARG  37   8.940  -0.069  -2.974
  277    HD2  ARG  37          2HD       ARG  37  10.597   2.103  -1.684
  278    HD3  ARG  37          1HD       ARG  37  11.079   0.450  -2.032
  279    HE   ARG  37           HE       ARG  37  10.368   1.494  -4.457
  280   HH11  ARG  37          1HH1      ARG  37  12.755   2.290  -1.988
  281   HH12  ARG  37          2HH1      ARG  37  13.825   3.072  -3.070
  282   HH21  ARG  37          1HH2      ARG  37  11.815   2.493  -5.938
  283   HH22  ARG  37          2HH2      ARG  37  13.285   3.162  -5.408