*HEADER    TOXIN                                   25-JUL-19   6PX7              
*TITLE     DG12A 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, KNOTTIN, ULTRA-STABLE PEPTIDE, TOXIN    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.J.AGWA,C.SCHROEDER                                                  
*REVDAT   1   22-JAN-20 6PX7    0                                                
# Restraints file 1: Dg12a_13.prot
   1 999.000 0.000 N       1
   2  59.796 0.011 CA      1
   3   4.207 0.003 HA      1
   4  63.051 0.003 CB      1
   5 999.000 0.000 HB2     1
   6 999.000 0.000 HB3     1
   7   4.021 0.001 QB      1
   8 999.000 0.000 OG      1
   9 999.000 0.000 HG      1
  10 999.000 0.000 C       1
  11 120.953 0.000 N       2
  12   8.824 0.003 H      2
  13  56.266 0.000 CA      2
  14   4.438 0.001 HA      2
  15  29.561 0.019 CB      2
  16   2.126 0.001 HB2     2
  17   2.023 0.001 HB3     2
  18 999.000 0.000 QB      2
  19  33.775 0.003 CG      2
  20 999.000 0.000 HG2     2
  21 999.000 0.000 HG3     2
  22   2.393 0.001 QG      2
  23 999.000 0.000 CD      2
  24 999.000 0.000 OE1     2
  25 999.000 0.000 NE2     2
  26 999.000 0.000 HE21    2
  27 999.000 0.000 HE22    2
  28 999.000 0.000 QE2     2
  29 999.000 0.000 C       2
  30 122.491 0.000 N       3
  31   8.556 0.001 H      3
  32  55.737 0.000 CA      3
  33   4.349 0.002 HA      3
  34  29.062 0.013 CB      3
  35   2.089 0.002 HB2     3
  36   1.998 0.002 HB3     3
  37 999.000 0.000 QB      3
  38  33.221 0.000 CG      3
  39 999.000 0.000 HG2     3
  40 999.000 0.000 HG3     3
  41   2.464 0.002 QG      3
  42 999.000 0.000 CD      3
  43 999.000 0.000 OE1     3
  44 999.000 0.000 OE2     3
  45 999.000 0.000 C       3
  46 122.390 0.000 N       4
  47   8.504 0.000 H      4
  48  56.348 0.000 CA      4
  49   4.359 0.001 HA      4
  50  29.550 0.002 CB      4
  51   2.111 0.001 HB2     4
  52   2.004 0.001 HB3     4
  53 999.000 0.000 QB      4
  54  31.597 0.005 CG      4
  55 999.000 0.000 HG2     4
  56 999.000 0.000 HG3     4
  57   2.359 0.001 QG      4
  58 999.000 0.000 CD      4
  59 999.000 0.000 OE1     4
  60 999.000 0.000 NE2     4
  61 999.000 0.000 HE21    4
  62 999.000 0.000 HE22    4
  63 999.000 0.000 QE2     4
  64 999.000 0.000 C       4
  65 117.935 0.000 N       5
  66   8.443 0.004 H      5
  67  56.063 0.004 CA      5
  68   4.355 0.002 HA      5
  69  30.920 0.011 CB      5
  70   1.869 0.003 HB2     5
  71   1.791 0.003 HB3     5
  72 999.000 0.000 QB      5
  73  27.161 0.003 CG      5
  74 999.000 0.000 HG2     5
  75 999.000 0.000 HG3     5
  76   1.649 0.004 QG      5
  77  43.399 0.002 CD      5
  78 999.000 0.000 HD2     5
  79 999.000 0.000 HD3     5
  80   3.227 0.002 QD      5
  81 999.000 0.000 NE      5
  82   7.214 0.002 HE      5
  83 999.000 0.000 CZ      5
  84 999.000 0.000 NH1     5
  85 999.000 0.000 HH11    5
  86 999.000 0.000 HH12    5
  87 999.000 0.000 NH2     5
  88 999.000 0.000 HH21    5
  89 999.000 0.000 HH22    5
  90 999.000 0.000 QH2     5
  91 999.000 0.000 C       5
  92 121.964 0.000 N       6
  93   8.504 0.001 H      6
  94  55.419 0.000 CA      6
  95   4.479 0.002 HA      6
  96  29.557 0.006 CB      6
  97   2.143 0.006 HB2     6
  98   2.014 0.001 HB3     6
  99 999.000 0.000 QB      6
 100  33.795 0.013 CG      6
 101   2.428 0.012 HG2     6
 102   2.401 0.009 HG3     6
 103 999.000 0.000 QG      6
 104 999.000 0.000 CD      6
 105 999.000 0.000 OE1     6
 106 999.000 0.000 NE2     6
 107 999.000 0.000 HE21    6
 108 999.000 0.000 HE22    6
 109 999.000 0.000 QE2     6
 110 999.000 0.000 C       6
 111 119.096 0.000 N       7
 112   8.336 0.003 H      7
 113  59.256 0.000 CA      7
 114   4.779 0.001 HA      7
 115  41.806 0.016 CB      7
 116   3.189 0.003 HB2     7
 117   3.020 0.001 HB3     7
 118 999.000 0.000 QB      7
 119 999.000 0.000 SG      7
 120 999.000 0.000 C       7
 121 119.375 0.000 N       8
 122   9.138 0.002 H      8
 123  56.170 0.005 CA      8
 124   4.493 0.002 HA      8
 125  34.452 0.006 CB      8
 126   1.982 0.001 HB2     8
 127   1.844 0.002 HB3     8
 128 999.000 0.000 QB      8
 129  25.318 0.009 CG      8
 130   1.636 0.002 HG2     8
 131   1.521 0.002 HG3     8
 132 999.000 0.000 QG      8
 133  29.135 0.001 CD      8
 134 999.000 0.000 HD2     8
 135 999.000 0.000 HD3     8
 136   1.736 0.001 QD      8
 137  42.646 0.010 CE      8
 138 999.000 0.000 HE2     8
 139 999.000 0.000 HE3     8
 140   3.138 0.003 QE      8
 141 999.000 0.000 NZ      8
 142 999.000 0.000 HZ1     8
 143 999.000 0.000 HZ2     8
 144 999.000 0.000 HZ3     8
 145   7.630 0.002 QZ      8
 146 999.000 0.000 C       8
 147 124.318 0.000 N       9
 148   8.671 0.003 H      9
 149  55.707 0.002 CA      9
 150   4.173 0.002 HA      9
 151  33.877 0.044 CB      9
 152   2.029 0.003 HB2     9
 153   1.749 0.004 HB3     9
 154 999.000 0.000 QB      9
 155  25.304 0.008 CG      9
 156 999.000 0.000 HG2     9
 157 999.000 0.000 HG3     9
 158   1.529 0.002 QG      9
 159  29.195 0.002 CD      9
 160 999.000 0.000 HD2     9
 161 999.000 0.000 HD3     9
 162   1.620 0.004 QD      9
 163  42.146 0.001 CE      9
 164 999.000 0.000 HE2     9
 165 999.000 0.000 HE3     9
 166   3.068 0.002 QE      9
 167 999.000 0.000 NZ      9
 168 999.000 0.000 HZ1     9
 169 999.000 0.000 HZ2     9
 170 999.000 0.000 HZ3     9
 171   7.573 0.002 QZ      9
 172 999.000 0.000 C       9
 173 119.031 0.000 N      10
 174   7.808 0.003 H     10
 175  62.836 0.002 CA     10
 176   3.382 0.003 HA     10
 177  37.329 0.016 CB     10
 178   1.781 0.003 HB     10
 179   0.938 0.006 QG2    10
 180  17.254 0.004 CG2    10
 181 999.000 0.000 HG21   10
 182 999.000 0.000 HG22   10
 183 999.000 0.000 HG23   10
 184  27.855 0.015 CG1    10
 185   1.588 0.003 HG12   10
 186   1.113 0.004 HG13   10
 187 999.000 0.000 QG1    10
 188   0.828 0.003 QD1    10
 189  12.202 0.002 CD1    10
 190 999.000 0.000 HD11   10
 191 999.000 0.000 HD12   10
 192 999.000 0.000 HD13   10
 193 999.000 0.000 C      10
 194 114.148 0.000 N      11
 195   8.957 0.001 H     11
 196  45.187 0.010 CA     11
 197   4.455 0.002 HA3    11
 198   3.579 0.002 HA2    11
 199 999.000 0.000 QA     11
 200 999.000 0.000 C      11
 201 118.179 0.000 N      12
 202   7.821 0.003 H     12
 203  56.116 0.000 CA     12
 204   4.405 0.001 HA     12
 205  30.664 0.005 CB     12
 206   2.254 0.002 HB2    12
 207   2.169 0.003 HB3    12
 208 999.000 0.000 QB     12
 209  36.623 0.001 CG     12
 210   2.395 0.001 HG2    12
 211   2.309 0.003 HG3    12
 212 999.000 0.000 QG     12
 213 999.000 0.000 CD     12
 214 999.000 0.000 OE1    12
 215 999.000 0.000 OE2    12
 216 999.000 0.000 C      12
 217 118.425 0.000 N      13
 218   8.595 0.002 H     13
 219  56.396 0.014 CA     13
 220   5.023 0.004 HA     13
 221  28.843 0.011 CB     13
 222   3.316 0.003 HB2    13
 223   2.997 0.002 HB3    13
 224 999.000 0.000 QB     13
 225 999.000 0.000 CG     13
 226 999.000 0.000 ND1    13
 227 999.000 0.000 CD2    13
 228 999.000 0.000 HD1    13
 229 999.000 0.000 CE1    13
 230 999.000 0.000 NE2    13
 231   7.415 0.003 HD2    13
 232   7.265 0.002 HE1    13
 233 999.000 0.000 C      13
 234 117.740 0.000 N      14
 235   7.071 0.001 H     14
 236  53.010 0.000 CA     14
 237   4.686 0.003 HA     14
 238  38.048 0.000 CB     14
 239 999.000 0.000 HB2    14
 240 999.000 0.000 HB3    14
 241   2.927 0.003 QB     14
 242 999.000 0.000 SG     14
 243 999.000 0.000 C      14
 244 116.503 0.000 N      15
 245   9.282 0.001 H     15
 246  58.423 0.000 CA     15
 247   4.697 0.006 HA     15
 248  40.804 0.049 CB     15
 249   3.197 0.002 HB2    15
 250   2.997 0.005 HB3    15
 251 999.000 0.000 QB     15
 252   7.364 0.003 QD     15
 253   6.932 0.001 QE     15
 254 999.000 0.000 QR     15
 255 999.000 0.000 CG     15
 256 999.000 0.000 CD1    15
 257 999.000 0.000 HD1    15
 258 999.000 0.000 CE1    15
 259 999.000 0.000 HE1    15
 260 999.000 0.000 CZ     15
 261 999.000 0.000 CE2    15
 262 999.000 0.000 HE2    15
 263 999.000 0.000 CD2    15
 264 999.000 0.000 HD2    15
 265 999.000 0.000 OH     15
 266 999.000 0.000 HH     15
 267 999.000 0.000 C      15
 268 112.369 0.000 N      16
 269   7.890 0.003 H     16
 270  58.175 0.000 CA     16
 271   4.700 0.002 HA     16
 272  35.901 0.001 CB     16
 273   2.376 0.006 HB     16
 274   0.987 0.005 QG1    16
 275   0.921 0.004 QG2    16
 276  21.926 0.014 CG1    16
 277 999.000 0.000 HG11   16
 278 999.000 0.000 HG12   16
 279 999.000 0.000 HG13   16
 280  22.398 0.004 CG2    16
 281 999.000 0.000 HG21   16
 282 999.000 0.000 HG22   16
 283 999.000 0.000 HG23   16
 284 999.000 0.000 QQG    16
 285 999.000 0.000 C      16
 286 125.535 0.000 N      17
 287   8.934 0.003 H     17
 288  56.467 0.011 CA     17
 289   3.741 0.003 HA     17
 290   1.482 0.002 QB     17
 291  18.599 0.002 CB     17
 292 999.000 0.000 HB1    17
 293 999.000 0.000 HB2    17
 294 999.000 0.000 HB3    17
 295 999.000 0.000 C      17
 296 110.882 0.000 N      18
 297   8.352 0.002 H     18
 298  55.331 0.004 CA     18
 299   4.355 0.002 HA     18
 300  38.342 0.006 CB     18
 301 999.000 0.000 HB2    18
 302 999.000 0.000 HB3    18
 303   2.863 0.001 QB     18
 304 999.000 0.000 CG     18
 305 999.000 0.000 OD1    18
 306 999.000 0.000 OD2    18
 307 999.000 0.000 C      18
 308 116.201 0.000 N      19
 309   7.437 0.003 H     19
 310  57.703 0.016 CA     19
 311   4.270 0.004 HA     19
 312  31.691 0.006 CB     19
 313 999.000 0.000 HB2    19
 314 999.000 0.000 HB3    19
 315   2.084 0.003 QB     19
 316  36.761 0.031 CG     19
 317   2.596 0.004 HG2    19
 318   2.355 0.005 HG3    19
 319 999.000 0.000 QG     19
 320 999.000 0.000 CD     19
 321 999.000 0.000 OE1    19
 322 999.000 0.000 OE2    19
 323 999.000 0.000 C      19
 324 118.301 0.000 N      20
 325   7.829 0.003 H     20
 326  54.593 0.047 CA     20
 327   4.931 0.003 HA     20
 328  38.579 0.023 CB     20
 329   3.488 0.004 HB2    20
 330   2.676 0.002 HB3    20
 331 999.000 0.000 QB     20
 332 999.000 0.000 SG     20
 333 999.000 0.000 C      20
 334 129.388 0.000 N      21
 335  10.364 0.004 H     21
 336  57.261 0.062 CA     21
 337   4.508 0.003 HA     21
 338  38.041 0.044 CB     21
 339   3.268 0.003 HB2    21
 340   2.905 0.004 HB3    21
 341 999.000 0.000 QB     21
 342 999.000 0.000 SG     21
 343 999.000 0.000 C      21
 344 114.126 0.000 N      22
 345   9.095 0.003 H     22
 346  58.591 0.034 CA     22
 347   4.169 0.014 HA     22
 348  65.131 0.087 CB     22
 349   4.157 0.011 HB2    22
 350   3.751 0.002 HB3    22
 351 999.000 0.000 QB     22
 352 999.000 0.000 OG     22
 353 999.000 0.000 HG     22
 354 999.000 0.000 C      22
 355 113.582 0.000 N      23
 356   7.713 0.003 H     23
 357  57.254 0.039 CA     23
 358   3.977 0.002 HA     23
 359  29.592 0.033 CB     23
 360   2.139 0.004 HB2    23
 361   1.984 0.004 HB3    23
 362 999.000 0.000 QB     23
 363  25.447 0.022 CG     23
 364   1.460 0.003 HG2    23
 365   1.328 0.003 HG3    23
 366 999.000 0.000 QG     23
 367  29.020 0.012 CD     23
 368   1.829 0.003 HD2    23
 369   1.663 0.004 HD3    23
 370 999.000 0.000 QD     23
 371  42.549 0.010 CE     23
 372 999.000 0.000 HE2    23
 373 999.000 0.000 HE3    23
 374   3.054 0.004 QE     23
 375 999.000 0.000 NZ     23
 376 999.000 0.000 HZ1    23
 377 999.000 0.000 HZ2    23
 378 999.000 0.000 HZ3    23
 379   7.528 0.002 QZ     23
 380 999.000 0.000 C      23
 381 118.640 0.000 N      24
 382   8.095 0.002 H     24
 383  56.074 0.002 CA     24
 384   4.438 0.003 HA     24
 385  32.018 0.021 CB     24
 386   1.617 0.004 HB2    24
 387   1.507 0.004 HB3    24
 388 999.000 0.000 QB     24
 389  27.104 0.007 CG     24
 390 999.000 0.000 HG2    24
 391 999.000 0.000 HG3    24
 392   1.303 0.002 QG     24
 393  43.501 0.009 CD     24
 394 999.000 0.000 HD2    24
 395 999.000 0.000 HD3    24
 396   3.110 0.003 QD     24
 397 999.000 0.000 NE     24
 398   7.213 0.001 HE     24
 399 999.000 0.000 CZ     24
 400 999.000 0.000 NH1    24
 401 999.000 0.000 HH11   24
 402 999.000 0.000 HH12   24
 403 999.000 0.000 NH2    24
 404 999.000 0.000 HH21   24
 405 999.000 0.000 HH22   24
 406 999.000 0.000 QH2    24
 407 999.000 0.000 C      24
 408 123.342 0.000 N      25
 409   8.064 0.005 H     25
 410  59.219 0.000 CA     25
 411   4.756 0.007 HA     25
 412  42.261 0.006 CB     25
 413   2.641 0.001 HB2    25
 414   2.209 0.003 HB3    25
 415 999.000 0.000 QB     25
 416 999.000 0.000 SG     25
 417 999.000 0.000 C      25
 418 131.322 0.000 N      26
 419   8.632 0.003 H     26
 420  51.333 0.000 CA     26
 421   4.319 0.003 HA     26
 422  41.646 0.004 CB     26
 423   1.945 0.002 HB2    26
 424   1.363 0.003 HB3    26
 425 999.000 0.000 QB     26
 426  27.268 0.023 CG     26
 427   1.196 0.002 HG     26
 428   0.876 0.003 QD1    26
 429   0.996 0.004 QD2    26
 430  25.476 0.001 CD1    26
 431 999.000 0.000 HD11   26
 432 999.000 0.000 HD12   26
 433 999.000 0.000 HD13   26
 434  23.537 0.013 CD2    26
 435 999.000 0.000 HD21   26
 436 999.000 0.000 HD22   26
 437 999.000 0.000 HD23   26
 438 999.000 0.000 QQD    26
 439 999.000 0.000 C      26
 440 127.891 0.000 N      27
 441   7.785 0.002 H     27
 442  61.900 0.004 CA     27
 443   4.115 0.002 HA     27
 444  38.653 0.034 CB     27
 445   3.181 0.002 HB2    27
 446   3.107 0.002 HB3    27
 447 999.000 0.000 QB     27
 448   7.270 0.003 QD     27
 449   7.385 0.003 QE     27
 450 999.000 0.000 QR     27
 451 999.000 0.000 CG     27
 452 999.000 0.000 CD1    27
 453 999.000 0.000 HD1    27
 454 999.000 0.000 CE1    27
 455 999.000 0.000 HE1    27
 456 999.000 0.000 CZ     27
 457 999.000 0.000 HZ     27
 458 999.000 0.000 CE2    27
 459 999.000 0.000 HE2    27
 460 999.000 0.000 CD2    27
 461 999.000 0.000 HD2    27
 462 999.000 0.000 C      27
 463 116.337 0.000 N      28
 464   8.296 0.002 H     28
 465  60.382 0.018 CA     28
 466   4.313 0.002 HA     28
 467  37.095 0.028 CB     28
 468   3.220 0.002 HB2    28
 469   2.991 0.004 HB3    28
 470 999.000 0.000 QB     28
 471   7.152 0.002 QD     28
 472   6.903 0.003 QE     28
 473 999.000 0.000 QR     28
 474 999.000 0.000 CG     28
 475 999.000 0.000 CD1    28
 476 999.000 0.000 HD1    28
 477 999.000 0.000 CE1    28
 478 999.000 0.000 HE1    28
 479 999.000 0.000 CZ     28
 480 999.000 0.000 CE2    28
 481 999.000 0.000 HE2    28
 482 999.000 0.000 CD2    28
 483 999.000 0.000 HD2    28
 484 999.000 0.000 OH     28
 485 999.000 0.000 HH     28
 486 999.000 0.000 C      28
 487 120.834 0.000 N      29
 488   6.664 0.002 H     29
 489  53.698 0.001 CA     29
 490   4.326 0.002 HA     29
 491   1.197 0.001 QB     29
 492  20.209 0.007 CB     29
 493 999.000 0.000 HB1    29
 494 999.000 0.000 HB2    29
 495 999.000 0.000 HB3    29
 496 999.000 0.000 C      29
 497 121.775 0.000 N      30
 498   8.112 0.001 H     30
 499  52.413 0.000 CA     30
 500   3.781 0.003 HA     30
 501   1.250 0.001 QB     30
 502  17.400 0.014 CB     30
 503 999.000 0.000 HB1    30
 504 999.000 0.000 HB2    30
 505 999.000 0.000 HB3    30
 506 999.000 0.000 C      30
 507 114.024 0.000 N      31
 508   6.834 0.001 H     31
 509  54.424 0.016 CA     31
 510   5.188 0.003 HA     31
 511  38.049 0.004 CB     31
 512   1.478 0.015 HB2    31
 513   1.289 0.003 HB3    31
 514 999.000 0.000 QB     31
 515  24.635 0.011 CG     31
 516 999.000 0.000 HG2    31
 517 999.000 0.000 HG3    31
 518   1.099 0.003 QG     31
 519  29.860 0.021 CD     31
 520   1.586 0.002 HD2    31
 521   1.512 0.003 HD3    31
 522 999.000 0.000 QD     31
 523  42.243 0.015 CE     31
 524 999.000 0.000 HE2    31
 525 999.000 0.000 HE3    31
 526   2.912 0.004 QE     31
 527 999.000 0.000 NZ     31
 528 999.000 0.000 HZ1    31
 529 999.000 0.000 HZ2    31
 530 999.000 0.000 HZ3    31
 531   7.581 0.002 QZ     31
 532 999.000 0.000 C      31
 533 122.421 0.000 N      32
 534   8.526 0.001 H     32
 535  54.835 0.033 CA     32
 536   5.085 0.003 HA     32
 537  37.968 0.019 CB     32
 538   3.145 0.002 HB2    32
 539   2.949 0.003 HB3    32
 540 999.000 0.000 QB     32
 541 999.000 0.000 SG     32
 542 999.000 0.000 C      32
 543 122.800 0.000 N      33
 544   8.436 0.001 H     33
 545  59.739 0.000 CA     33
 546   4.798 0.001 HA     33
 547  35.860 0.000 CB     33
 548   2.369 0.005 HB     33
 549   0.911 0.006 QG1    33
 550   0.733 0.002 QG2    33
 551  22.397 0.000 CG1    33
 552 999.000 0.000 HG11   33
 553 999.000 0.000 HG12   33
 554 999.000 0.000 HG13   33
 555  18.451 0.003 CG2    33
 556 999.000 0.000 HG21   33
 557 999.000 0.000 HG22   33
 558 999.000 0.000 HG23   33
 559 999.000 0.000 QQG    33
 560 999.000 0.000 C      33
 561 118.534 0.000 N      34
 562   8.274 0.002 H     34
 563  57.161 0.000 CA     34
 564   4.213 0.002 HA     34
 565  63.997 0.009 CB     34
 566   3.922 0.006 HB2    34
 567   3.858 0.004 HB3    34
 568 999.000 0.000 QB     34
 569 999.000 0.000 OG     34
 570 999.000 0.000 HG     34
 571 999.000 0.000 C      34
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           H        SER   1 -12.434  13.490 -16.303
    2    HA   SER   1           HA       SER   1 -10.543  15.698 -16.725
    3    HB3  SER   1          2HB       SER   1 -12.295  15.377 -14.691
    4    HG   SER   1           HG       SER   1 -11.409  14.377 -13.013
    5    H    GLN   2           H        GLN   2  -8.465  15.418 -15.366
    6    HA   GLN   2           HA       GLN   2  -7.504  12.655 -15.404
    7    HB3  GLN   2          2HB       GLN   2  -5.321  14.006 -16.373
    8    HG3  GLN   2          2HG       GLN   2  -7.430  12.398 -17.742
    9   HE21  GLN   2          1HE2      GLN   2  -5.115  11.416 -19.381
   10   HE22  GLN   2          2HE2      GLN   2  -5.017  12.526 -20.700
   11    H    GLU   3           H        GLU   3  -7.199  12.498 -13.241
   12    HA   GLU   3           HA       GLU   3  -5.632  14.588 -11.901
   13    HB3  GLU   3          2HB       GLU   3  -7.663  14.144 -10.743
   14    HG3  GLU   3          2HG       GLU   3  -7.061  11.316 -11.328
   15    H    GLN   4           H        GLN   4  -3.688  14.178 -10.958
   16    HA   GLN   4           HA       GLN   4  -2.583  11.473 -11.346
   17    HB3  GLN   4          2HB       GLN   4  -0.428  13.229 -11.105
   18    HG3  GLN   4          2HG       GLN   4  -1.192  11.284 -12.853
   19   HE21  GLN   4          1HE2      GLN   4   0.495  12.921 -15.012
   20   HE22  GLN   4          2HE2      GLN   4  -0.755  13.464 -16.072
   21    H    ARG   5           H        ARG   5  -3.065  10.690  -9.308
   22    HA   ARG   5           HA       ARG   5  -1.558  11.939  -7.109
   23    HB3  ARG   5          2HB       ARG   5  -4.319  10.717  -6.995
   24    HG3  ARG   5          2HG       ARG   5  -2.581  11.695  -4.739
   25    HD3  ARG   5          2HD       ARG   5  -5.423  11.763  -5.048
   26    HE   ARG   5           HE       ARG   5  -4.777   9.430  -3.770
   27   HH11  ARG   5          1HH1      ARG   5  -6.356  12.400  -2.873
   28   HH12  ARG   5          2HH1      ARG   5  -7.373  11.653  -1.685
   29   HH21  ARG   5          1HH2      ARG   5  -6.109   8.435  -2.209
   30   HH22  ARG   5          2HH2      ARG   5  -7.231   9.398  -1.308
   31    H    GLN   6           H        GLN   6  -0.149  10.627  -6.153
   32    HA   GLN   6           HA       GLN   6  -0.593   7.725  -6.287
   33    HB3  GLN   6          2HB       GLN   6   1.050   8.502  -8.032
   34    HG3  GLN   6          2HG       GLN   6   3.175   8.705  -6.010
   35   HE21  GLN   6          1HE2      GLN   6   3.678  11.426  -7.026
   36   HE22  GLN   6          2HE2      GLN   6   4.306  11.214  -8.621
   37    H    CYS   7           H        CYS   7  -0.179   6.641  -4.446
   38    HA   CYS   7           HA       CYS   7   0.613   8.211  -2.122
   39    HB3  CYS   7          2HB       CYS   7  -0.362   6.530  -0.796
   40    H    LYS   8           H        LYS   8   1.479   5.086  -3.599
   41    HA   LYS   8           HA       LYS   8   4.268   5.521  -3.079
   42    HB3  LYS   8          2HB       LYS   8   4.269   3.186  -1.809
   43    HG3  LYS   8          2HG       LYS   8   4.643   5.793  -0.995
   44    HD3  LYS   8          2HD       LYS   8   2.192   4.970   0.105
   45    HE3  LYS   8          2HE       LYS   8   4.424   4.979   2.135
   46    HZ1  LYS   8          1HZ       LYS   8   2.874   5.116   3.787
   47    HZ2  LYS   8          2HZ       LYS   8   1.609   4.536   2.827
   48    HZ3  LYS   8          3HZ       LYS   8   2.152   6.126   2.638
   49    H    LYS   9           H        LYS   9   4.872   5.037  -5.107
   50    HA   LYS   9           HA       LYS   9   3.717   2.818  -6.547
   51    HB3  LYS   9          2HB       LYS   9   5.158   3.513  -8.382
   52    HG3  LYS   9          2HG       LYS   9   4.574   6.226  -7.606
   53    HD3  LYS   9          2HD       LYS   9   3.834   4.271  -9.706
   54    HE3  LYS   9          2HE       LYS   9   2.320   6.805  -9.763
   55    HZ1  LYS   9          1HZ       LYS   9   1.957   5.397 -11.562
   56    HZ2  LYS   9          2HZ       LYS   9   0.607   5.131 -10.580
   57    HZ3  LYS   9          3HZ       LYS   9   1.872   4.008 -10.602
   58    H    ILE  10           H        ILE  10   5.705   1.672  -7.928
   59    HA   ILE  10           HA       ILE  10   6.756  -0.226  -6.149
   60    HB   ILE  10           HB       ILE  10   7.739   0.392  -8.938
   61   HG13  ILE  10          2HG1      ILE  10   6.186  -1.422  -9.629
   62   HG21  ILE  10          1HG2      ILE  10   9.312  -1.089  -8.310
   63   HG22  ILE  10          2HG2      ILE  10   8.350  -1.700  -6.966
   64   HG23  ILE  10          3HG2      ILE  10   8.039  -2.273  -8.605
   65   HD11  ILE  10          1HD1      ILE  10   4.874  -2.589  -8.261
   66   HD12  ILE  10          2HD1      ILE  10   5.974  -2.060  -6.987
   67   HD13  ILE  10          3HD1      ILE  10   4.477  -1.176  -7.283
   68    H    GLY  11           H        GLY  11   8.414  -0.094  -4.795
   69    HA2  GLY  11          2HA       GLY  11  10.770   0.231  -4.430
   70    HA3  GLY  11          3HA       GLY  11  10.710   1.595  -5.536
   71    H    GLU  12           H        GLU  12   8.004   1.768  -3.657
   72    HA   GLU  12           HA       GLU  12   9.190   3.867  -2.026
   73    HB3  GLU  12          2HB       GLU  12   6.796   4.329  -1.404
   74    HG3  GLU  12          2HG       GLU  12   6.245   5.459  -3.333
   75    H    HIS  13           H        HIS  13   8.118   4.041   0.262
   76    HA   HIS  13           HA       HIS  13   8.595   1.463   1.584
   77    HB3  HIS  13          2HB       HIS  13   8.551   4.201   2.861
   78    HD1  HIS  13          1HD       HIS  13   7.657   3.270   5.087
   79    HD2  HIS  13          2HD       HIS  13  11.083   1.360   3.717
   80    HE1  HIS  13          1HE       HIS  13   8.477   1.890   7.023
   81    H    CYS  14           H        CYS  14   7.140   0.585   3.011
   82    HA   CYS  14           HA       CYS  14   4.821   1.955   3.932
   83    HB3  CYS  14          2HB       CYS  14   3.926   1.700   1.753
   84    H    TYR  15           H        TYR  15   3.720   0.806   5.512
   85    HA   TYR  15           HA       TYR  15   5.150  -1.505   6.540
   86    HB3  TYR  15          2HB       TYR  15   3.623  -1.211   8.513
   87    HD1  TYR  15          1HD       TYR  15   4.029   2.280   7.608
   88    HD2  TYR  15          2HD       TYR  15   5.977  -1.114   9.278
   89    HE1  TYR  15          1HE       TYR  15   5.770   3.746   8.540
   90    HE2  TYR  15          2HE       TYR  15   7.723   0.342  10.215
   91    HH   TYR  15           HH       TYR  15   7.646   3.111  10.885
   92    H    VAL  16           H        VAL  16   2.040  -0.700   5.145
   93    HA   VAL  16           HA       VAL  16   1.417  -3.568   5.019
   94    HB   VAL  16           HB       VAL  16  -1.004  -2.996   5.349
   95   HG11  VAL  16          1HG1      VAL  16   0.299  -2.156   7.861
   96   HG12  VAL  16          2HG1      VAL  16  -0.845  -3.464   7.555
   97   HG13  VAL  16          3HG1      VAL  16   0.862  -3.673   7.160
   98   HG21  VAL  16          1HG2      VAL  16  -0.302  -0.442   4.989
   99   HG22  VAL  16          2HG2      VAL  16  -1.735  -0.920   5.899
  100   HG23  VAL  16          3HG2      VAL  16  -0.248  -0.501   6.750
  101    H    ALA  17           H        ALA  17  -0.590  -3.846   3.490
  102    HA   ALA  17           HA       ALA  17   0.214  -2.918   0.930
  103    HB1  ALA  17          1HB       ALA  17  -2.047  -3.972   0.260
  104    HB2  ALA  17          2HB       ALA  17  -0.776  -5.016   0.896
  105    HB3  ALA  17          3HB       ALA  17  -2.109  -4.516   1.937
  106    H    ASP  18           H        ASP  18  -2.473  -2.084   3.084
  107    HA   ASP  18           HA       ASP  18  -3.892  -0.390   1.407
  108    HB3  ASP  18          2HB       ASP  18  -3.999   0.761   3.980
  109    H    GLU  19           H        GLU  19  -0.963   0.194   3.242
  110    HA   GLU  19           HA       GLU  19  -0.902   2.995   3.064
  111    HB3  GLU  19          2HB       GLU  19   1.683   2.529   3.178
  112    HG3  GLU  19          2HG       GLU  19   1.201   1.515   5.615
  113    H    CYS  20           H        CYS  20  -0.023   0.489   0.794
  114    HA   CYS  20           HA       CYS  20   1.184   2.401  -1.040
  115    HB3  CYS  20          2HB       CYS  20   0.871  -0.148  -2.260
  116    H    CYS  21           H        CYS  21   0.130   3.356  -2.652
  117    HA   CYS  21           HA       CYS  21  -2.643   3.172  -2.973
  118    HB3  CYS  21          2HB       CYS  21  -1.527   4.121  -5.404
  119    H    SER  22           H        SER  22  -0.034   1.405  -4.454
  120    HA   SER  22           HA       SER  22  -1.705   0.276  -6.527
  121    HB3  SER  22          2HB       SER  22   1.132  -0.359  -5.679
  122    HG   SER  22           HG       SER  22  -0.415  -1.250  -7.883
  123    H    LYS  23           H        LYS  23  -0.986  -0.392  -3.275
  124    HA   LYS  23           HA       LYS  23  -1.613  -2.060  -1.861
  125    HB3  LYS  23          2HB       LYS  23  -3.482  -3.464  -2.452
  126    HG3  LYS  23          2HG       LYS  23  -4.716  -1.490  -3.981
  127    HD3  LYS  23          2HD       LYS  23  -4.501  -1.574  -0.975
  128    HE3  LYS  23          2HE       LYS  23  -6.882  -0.889  -2.679
  129    HZ1  LYS  23          1HZ       LYS  23  -6.736   0.435  -0.209
  130    HZ2  LYS  23          2HZ       LYS  23  -6.481  -1.215   0.063
  131    HZ3  LYS  23          3HZ       LYS  23  -7.883  -0.696  -0.729
  132    H    ARG  24           H        ARG  24   0.813  -2.384  -3.056
  133    HA   ARG  24           HA       ARG  24   0.941  -5.304  -3.403
  134    HB3  ARG  24          2HB       ARG  24   3.129  -4.401  -4.794
  135    HG3  ARG  24          2HG       ARG  24   1.922  -4.939  -6.845
  136    HD3  ARG  24          2HD       ARG  24   2.211  -6.638  -4.572
  137    HE   ARG  24           HE       ARG  24   0.148  -7.603  -4.517
  138   HH11  ARG  24          1HH1      ARG  24   0.913  -6.811  -7.820
  139   HH12  ARG  24          2HH1      ARG  24  -0.506  -7.568  -8.466
  140   HH21  ARG  24          1HH2      ARG  24  -1.723  -8.603  -5.357
  141   HH22  ARG  24          2HH2      ARG  24  -2.004  -8.587  -7.064
  142    H    CYS  25           H        CYS  25   1.279  -3.706  -1.015
  143    HA   CYS  25           HA       CYS  25   4.139  -3.669  -0.507
  144    HB3  CYS  25          2HB       CYS  25   2.047  -3.203   1.594
  145    H    LEU  26           H        LEU  26   5.161  -4.889   1.132
  146    HA   LEU  26           HA       LEU  26   3.677  -7.242   2.081
  147    HB3  LEU  26          2HB       LEU  26   6.510  -7.347   1.067
  148    HG   LEU  26           HG       LEU  26   5.595  -9.202   2.632
  149   HD11  LEU  26          1HD1      LEU  26   4.177 -10.807   1.745
  150   HD12  LEU  26          2HD1      LEU  26   4.432 -10.264   0.087
  151   HD13  LEU  26          3HD1      LEU  26   3.455  -9.296   1.191
  152   HD21  LEU  26          1HD2      LEU  26   7.132 -10.625   1.731
  153   HD22  LEU  26          2HD2      LEU  26   7.599  -9.138   0.907
  154   HD23  LEU  26          3HD2      LEU  26   6.601 -10.331   0.075
  155    H    PHE  27           H        PHE  27   4.439  -8.163   4.028
  156    HA   PHE  27           HA       PHE  27   5.418  -6.286   5.908
  157    HB3  PHE  27          2HB       PHE  27   5.620  -8.447   7.355
  158    HD1  PHE  27          1HD       PHE  27   4.221  -7.938   9.085
  159    HD2  PHE  27          2HD       PHE  27   2.750  -7.643   5.102
  160    HE1  PHE  27          1HE       PHE  27   2.037  -7.201   9.949
  161    HE2  PHE  27          2HE       PHE  27   0.565  -6.906   5.959
  162    HZ   PHE  27           HZ       PHE  27   0.206  -6.684   8.386
  163    H    TYR  28           H        TYR  28   6.938  -8.742   3.959
  164    HA   TYR  28           HA       TYR  28   9.440  -8.598   5.419
  165    HB3  TYR  28          2HB       TYR  28  10.244 -10.179   3.656
  166    HD1  TYR  28          1HD       TYR  28   6.762 -11.227   3.818
  167    HD2  TYR  28          2HD       TYR  28  10.507 -11.291   5.838
  168    HE1  TYR  28          1HE       TYR  28   5.945 -13.043   5.263
  169    HE2  TYR  28          2HE       TYR  28   9.701 -13.107   7.287
  170    HH   TYR  28           HH       TYR  28   6.394 -14.368   6.986
  171    H    ALA  29           H        ALA  29   8.292  -7.803   2.145
  172    HA   ALA  29           HA       ALA  29  10.714  -6.578   1.322
  173    HB1  ALA  29          1HB       ALA  29   8.299  -5.618  -0.012
  174    HB2  ALA  29          2HB       ALA  29   9.718  -6.429  -0.676
  175    HB3  ALA  29          3HB       ALA  29   8.424  -7.376   0.058
  176    H    ALA  30           H        ALA  30   7.709  -5.326   2.700
  177    HA   ALA  30           HA       ALA  30   7.186  -3.336   3.672
  178    HB1  ALA  30          1HB       ALA  30   8.694  -2.776   5.201
  179    HB2  ALA  30          2HB       ALA  30   9.832  -3.873   4.417
  180    HB3  ALA  30          3HB       ALA  30   9.794  -2.170   3.962
  181    H    LYS  31           H        LYS  31   8.179  -3.634   0.690
  182    HA   LYS  31           HA       LYS  31   7.802  -0.797   0.088
  183    HB3  LYS  31          2HB       LYS  31  10.148  -2.478  -0.718
  184    HG3  LYS  31          2HG       LYS  31  10.558  -0.351  -2.265
  185    HD3  LYS  31          2HD       LYS  31   9.540  -1.770  -4.162
  186    HE3  LYS  31          2HE       LYS  31  11.306  -3.641  -2.865
  187    HZ1  LYS  31          1HZ       LYS  31  11.600  -1.742  -5.122
  188    HZ2  LYS  31          2HZ       LYS  31  11.293  -3.403  -5.210
  189    HZ3  LYS  31          3HZ       LYS  31  12.799  -2.848  -4.674
  190    H    CYS  32           H        CYS  32   6.640  -0.403  -1.743
  191    HA   CYS  32           HA       CYS  32   4.906  -2.307  -2.739
  192    HB3  CYS  32          2HB       CYS  32   5.347  -0.425  -4.817
  193    H    VAL  33           H        VAL  33   5.355  -4.119  -3.788
  194    HA   VAL  33           HA       VAL  33   7.511  -4.086  -5.799
  195    HB   VAL  33           HB       VAL  33   7.480  -6.641  -5.400
  196   HG11  VAL  33          1HG1      VAL  33   8.894  -4.493  -4.186
  197   HG12  VAL  33          2HG1      VAL  33   8.676  -5.766  -2.985
  198   HG13  VAL  33          3HG1      VAL  33   9.454  -6.129  -4.526
  199   HG21  VAL  33          1HG2      VAL  33   6.739  -6.142  -2.608
  200   HG22  VAL  33          2HG2      VAL  33   5.397  -6.042  -3.748
  201   HG23  VAL  33          3HG2      VAL  33   6.367  -7.512  -3.655
  202    H    SER  34           H        SER  34   7.031  -4.665  -7.833
  203    HA   SER  34           HA       SER  34   4.429  -4.739  -8.779
  204    HB3  SER  34          2HB       SER  34   6.971  -5.831  -9.999
  205    HG   SER  34           HG       SER  34   5.254  -5.222 -11.873
  Start of MODEL    2
    1    H1   SER   1           H        SER   1  -0.364  19.625 -17.176
    2    HA   SER   1           HA       SER   1   1.748  20.063 -16.292
    3    HB3  SER   1          2HB       SER   1   1.617  20.937 -13.749
    4    HG   SER   1           HG       SER   1   1.860  22.996 -14.620
    5    H    GLN   2           H        GLN   2  -0.273  19.327 -13.455
    6    HA   GLN   2           HA       GLN   2   1.421  17.248 -12.562
    7    HB3  GLN   2          2HB       GLN   2  -0.608  16.678 -11.097
    8    HG3  GLN   2          2HG       GLN   2   0.209  19.561 -10.936
    9   HE21  GLN   2          1HE2      GLN   2   0.240  20.340  -8.793
   10   HE22  GLN   2          2HE2      GLN   2  -0.722  19.603  -7.561
   11    H    GLU   3           H        GLU   3   0.311  15.016 -12.023
   12    HA   GLU   3           HA       GLU   3  -1.300  14.023 -14.232
   13    HB3  GLU   3          2HB       GLU   3   0.912  13.740 -15.133
   14    HG3  GLU   3          2HG       GLU   3   1.574  12.790 -12.416
   15    H    GLN   4           H        GLN   4  -2.114  14.316 -11.651
   16    HA   GLN   4           HA       GLN   4  -3.077  13.220  -9.906
   17    HB3  GLN   4          2HB       GLN   4  -3.485  10.678 -10.398
   18    HG3  GLN   4          2HG       GLN   4  -4.781  12.335 -12.480
   19   HE21  GLN   4          1HE2      GLN   4  -5.423  10.234 -13.156
   20   HE22  GLN   4          2HE2      GLN   4  -6.666   9.380 -12.311
   21    H    ARG   5           H        ARG   5  -1.514  13.428  -8.349
   22    HA   ARG   5           HA       ARG   5   0.838  11.853  -8.228
   23    HB3  ARG   5          2HB       ARG   5  -0.391  13.055  -5.778
   24    HG3  ARG   5          2HG       ARG   5   2.323  12.469  -6.760
   25    HD3  ARG   5          2HD       ARG   5   1.549  15.085  -5.634
   26    HE   ARG   5           HE       ARG   5   3.168  13.556  -4.025
   27   HH11  ARG   5          1HH1      ARG   5   3.496  16.508  -5.841
   28   HH12  ARG   5          2HH1      ARG   5   4.667  17.195  -4.764
   29   HH21  ARG   5          1HH2      ARG   5   4.709  14.449  -2.599
   30   HH22  ARG   5          2HH2      ARG   5   5.357  16.021  -2.920
   31    H    GLN   6           H        GLN   6   1.290   9.972  -7.190
   32    HA   GLN   6           HA       GLN   6  -1.009   8.436  -6.234
   33    HB3  GLN   6          2HB       GLN   6   1.172   6.732  -6.238
   34    HG3  GLN   6          2HG       GLN   6  -0.325   7.074  -8.780
   35   HE21  GLN   6          1HE2      GLN   6  -0.432   5.200  -9.889
   36   HE22  GLN   6          2HE2      GLN   6   0.255   3.709  -9.351
   37    H    CYS   7           H        CYS   7  -0.221   6.709  -4.494
   38    HA   CYS   7           HA       CYS   7   0.650   8.305  -2.217
   39    HB3  CYS   7          2HB       CYS   7  -0.323   6.667  -0.839
   40    H    LYS   8           H        LYS   8   1.427   5.139  -3.656
   41    HA   LYS   8           HA       LYS   8   4.235   5.531  -3.207
   42    HB3  LYS   8          2HB       LYS   8   4.222   3.220  -1.895
   43    HG3  LYS   8          2HG       LYS   8   4.662   5.833  -1.137
   44    HD3  LYS   8          2HD       LYS   8   2.220   5.075   0.032
   45    HE3  LYS   8          2HE       LYS   8   4.497   5.079   2.011
   46    HZ1  LYS   8          1HZ       LYS   8   1.567   5.261   2.393
   47    HZ2  LYS   8          2HZ       LYS   8   2.763   6.287   3.004
   48    HZ3  LYS   8          3HZ       LYS   8   2.605   4.716   3.612
   49    H    LYS   9           H        LYS   9   4.782   5.002  -5.238
   50    HA   LYS   9           HA       LYS   9   3.556   2.779  -6.613
   51    HB3  LYS   9          2HB       LYS   9   4.969   3.416  -8.492
   52    HG3  LYS   9          2HG       LYS   9   4.454   6.151  -7.759
   53    HD3  LYS   9          2HD       LYS   9   2.569   5.628  -9.524
   54    HE3  LYS   9          2HE       LYS   9   5.085   5.246 -10.901
   55    HZ1  LYS   9          1HZ       LYS   9   4.193   6.814 -12.174
   56    HZ2  LYS   9          2HZ       LYS   9   4.002   7.887 -10.881
   57    HZ3  LYS   9          3HZ       LYS   9   2.811   6.728 -11.200
   58    H    ILE  10           H        ILE  10   5.488   1.571  -8.017
   59    HA   ILE  10           HA       ILE  10   6.545  -0.314  -6.228
   60    HB   ILE  10           HB       ILE  10   7.475   0.234  -9.049
   61   HG13  ILE  10          2HG1      ILE  10   5.871  -1.558  -9.673
   62   HG21  ILE  10          1HG2      ILE  10   9.033  -1.266  -8.428
   63   HG22  ILE  10          2HG2      ILE  10   8.089  -1.835  -7.052
   64   HG23  ILE  10          3HG2      ILE  10   7.731  -2.430  -8.673
   65   HD11  ILE  10          1HD1      ILE  10   4.571  -2.679  -8.255
   66   HD12  ILE  10          2HD1      ILE  10   5.708  -2.149  -7.015
   67   HD13  ILE  10          3HD1      ILE  10   4.221  -1.243  -7.293
   68    H    GLY  11           H        GLY  11   8.233  -0.186  -4.911
   69    HA2  GLY  11          2HA       GLY  11  10.605   0.099  -4.607
   70    HA3  GLY  11          3HA       GLY  11  10.543   1.445  -5.737
   71    H    GLU  12           H        GLU  12   7.887   1.701  -3.799
   72    HA   GLU  12           HA       GLU  12   9.148   3.806  -2.233
   73    HB3  GLU  12          2HB       GLU  12   6.779   4.325  -1.567
   74    HG3  GLU  12          2HG       GLU  12   6.204   5.430  -3.504
   75    H    HIS  13           H        HIS  13   8.131   4.041   0.074
   76    HA   HIS  13           HA       HIS  13   8.591   1.477   1.431
   77    HB3  HIS  13          2HB       HIS  13   8.624   4.238   2.660
   78    HD1  HIS  13          1HD       HIS  13   7.768   3.364   4.923
   79    HD2  HIS  13          2HD       HIS  13  11.123   1.365   3.506
   80    HE1  HIS  13          1HE       HIS  13   8.609   2.001   6.864
   81    H    CYS  14           H        CYS  14   7.153   0.653   2.907
   82    HA   CYS  14           HA       CYS  14   4.879   2.081   3.853
   83    HB3  CYS  14          2HB       CYS  14   3.931   1.805   1.701
   84    H    TYR  15           H        TYR  15   3.797   0.982   5.481
   85    HA   TYR  15           HA       TYR  15   5.206  -1.336   6.517
   86    HB3  TYR  15          2HB       TYR  15   3.686  -0.979   8.506
   87    HD1  TYR  15          1HD       TYR  15   5.919  -0.970   9.451
   88    HD2  TYR  15          2HD       TYR  15   4.414   2.434   7.388
   89    HE1  TYR  15          1HE       TYR  15   7.750   0.390  10.372
   90    HE2  TYR  15          2HE       TYR  15   6.242   3.802   8.302
   91    HH   TYR  15           HH       TYR  15   7.791   3.808  10.150
   92    H    VAL  16           H        VAL  16   2.081  -0.499   5.177
   93    HA   VAL  16           HA       VAL  16   1.406  -3.359   5.117
   94    HB   VAL  16           HB       VAL  16  -1.015  -2.680   5.455
   95   HG11  VAL  16          1HG1      VAL  16   0.400  -3.801   7.164
   96   HG12  VAL  16          2HG1      VAL  16   0.810  -2.210   7.808
   97   HG13  VAL  16          3HG1      VAL  16  -0.861  -2.775   7.849
   98   HG21  VAL  16          1HG2      VAL  16  -0.182  -0.314   6.984
   99   HG22  VAL  16          2HG2      VAL  16  -0.088  -0.139   5.231
  100   HG23  VAL  16          3HG2      VAL  16  -1.617  -0.579   5.994
  101    H    ALA  17           H        ALA  17  -0.643  -3.624   3.639
  102    HA   ALA  17           HA       ALA  17   0.119  -2.757   1.046
  103    HB1  ALA  17          1HB       ALA  17  -2.177  -3.780   0.446
  104    HB2  ALA  17          2HB       ALA  17  -0.910  -4.837   1.072
  105    HB3  ALA  17          3HB       ALA  17  -2.209  -4.293   2.133
  106    H    ASP  18           H        ASP  18  -2.502  -1.837   3.244
  107    HA   ASP  18           HA       ASP  18  -3.929  -0.146   1.570
  108    HB3  ASP  18          2HB       ASP  18  -4.733   0.952   3.620
  109    H    GLU  19           H        GLU  19  -0.948   0.416   3.327
  110    HA   GLU  19           HA       GLU  19  -0.839   3.212   3.097
  111    HB3  GLU  19          2HB       GLU  19   1.802   2.299   2.950
  112    HG3  GLU  19          2HG       GLU  19   0.685   3.977   4.539
  113    H    CYS  20           H        CYS  20  -0.059   0.650   0.853
  114    HA   CYS  20           HA       CYS  20   1.140   2.506  -1.042
  115    HB3  CYS  20          2HB       CYS  20   0.751  -0.057  -2.209
  116    H    CYS  21           H        CYS  21   0.068   3.452  -2.647
  117    HA   CYS  21           HA       CYS  21  -2.714   3.314  -2.902
  118    HB3  CYS  21          2HB       CYS  21  -1.638   4.198  -5.375
  119    H    SER  22           H        SER  22  -0.174   1.472  -4.408
  120    HA   SER  22           HA       SER  22  -1.913   0.338  -6.423
  121    HB3  SER  22          2HB       SER  22   0.942  -0.273  -5.630
  122    HG   SER  22           HG       SER  22   0.800  -1.338  -7.811
  123    H    LYS  23           H        LYS  23  -1.132  -0.285  -3.176
  124    HA   LYS  23           HA       LYS  23  -1.755  -1.916  -1.717
  125    HB3  LYS  23          2HB       LYS  23  -3.664  -3.294  -2.241
  126    HG3  LYS  23          2HG       LYS  23  -4.897  -1.327  -3.776
  127    HD3  LYS  23          2HD       LYS  23  -4.613  -1.360  -0.775
  128    HE3  LYS  23          2HE       LYS  23  -6.803  -0.450  -2.639
  129    HZ1  LYS  23          1HZ       LYS  23  -7.511   0.352  -0.182
  130    HZ2  LYS  23          2HZ       LYS  23  -6.854  -1.169   0.161
  131    HZ3  LYS  23          3HZ       LYS  23  -8.126  -1.027  -0.944
  132    H    ARG  24           H        ARG  24   0.636  -2.306  -2.964
  133    HA   ARG  24           HA       ARG  24   0.702  -5.233  -3.261
  134    HB3  ARG  24          2HB       ARG  24   2.874  -4.394  -4.716
  135    HG3  ARG  24          2HG       ARG  24   1.611  -4.949  -6.729
  136    HD3  ARG  24          2HD       ARG  24   0.549  -6.901  -4.770
  137    HE   ARG  24           HE       ARG  24   2.388  -7.775  -6.776
  138   HH11  ARG  24          1HH1      ARG  24  -0.896  -6.774  -6.203
  139   HH12  ARG  24          2HH1      ARG  24  -1.535  -7.643  -7.559
  140   HH21  ARG  24          1HH2      ARG  24   1.559  -8.923  -8.565
  141   HH22  ARG  24          2HH2      ARG  24  -0.138  -8.866  -8.902
  142    H    CYS  25           H        CYS  25   1.124  -3.600  -0.910
  143    HA   CYS  25           HA       CYS  25   3.995  -3.607  -0.467
  144    HB3  CYS  25          2HB       CYS  25   1.963  -3.066   1.673
  145    H    LEU  26           H        LEU  26   5.031  -4.817   1.170
  146    HA   LEU  26           HA       LEU  26   3.528  -7.125   2.194
  147    HB3  LEU  26          2HB       LEU  26   6.334  -7.301   1.119
  148    HG   LEU  26           HG       LEU  26   5.421  -9.110   2.738
  149   HD11  LEU  26          1HD1      LEU  26   3.955 -10.704   1.912
  150   HD12  LEU  26          2HD1      LEU  26   4.182 -10.195   0.239
  151   HD13  LEU  26          3HD1      LEU  26   3.247  -9.190   1.345
  152   HD21  LEU  26          1HD2      LEU  26   6.349 -10.304   0.180
  153   HD22  LEU  26          2HD2      LEU  26   6.912 -10.578   1.830
  154   HD23  LEU  26          3HD2      LEU  26   7.386  -9.113   0.967
  155    H    PHE  27           H        PHE  27   4.317  -8.025   4.141
  156    HA   PHE  27           HA       PHE  27   5.370  -6.134   5.962
  157    HB3  PHE  27          2HB       PHE  27   5.569  -8.275   7.442
  158    HD1  PHE  27          1HD       PHE  27   4.227  -7.699   9.198
  159    HD2  PHE  27          2HD       PHE  27   2.656  -7.459   5.249
  160    HE1  PHE  27          1HE       PHE  27   2.081  -6.904  10.103
  161    HE2  PHE  27          2HE       PHE  27   0.509  -6.663   6.147
  162    HZ   PHE  27           HZ       PHE  27   0.219  -6.385   8.577
  163    H    TYR  28           H        TYR  28   6.802  -8.651   4.027
  164    HA   TYR  28           HA       TYR  28   9.338  -8.528   5.427
  165    HB3  TYR  28          2HB       TYR  28  10.074 -10.154   3.676
  166    HD1  TYR  28          1HD       TYR  28   6.578 -11.136   3.935
  167    HD2  TYR  28          2HD       TYR  28  10.366 -11.232   5.871
  168    HE1  TYR  28          1HE       TYR  28   5.763 -12.910   5.430
  169    HE2  TYR  28          2HE       TYR  28   9.561 -13.007   7.371
  170    HH   TYR  28           HH       TYR  28   7.178 -14.900   6.868
  171    H    ALA  29           H        ALA  29   8.132  -7.770   2.165
  172    HA   ALA  29           HA       ALA  29  10.555  -6.606   1.266
  173    HB1  ALA  29          1HB       ALA  29   9.519  -6.549  -0.705
  174    HB2  ALA  29          2HB       ALA  29   8.164  -7.343   0.098
  175    HB3  ALA  29          3HB       ALA  29   8.186  -5.587  -0.064
  176    H    ALA  30           H        ALA  30   7.606  -5.274   2.689
  177    HA   ALA  30           HA       ALA  30   7.143  -3.257   3.636
  178    HB1  ALA  30          1HB       ALA  30   9.778  -2.135   3.845
  179    HB2  ALA  30          2HB       ALA  30   8.696  -2.697   5.119
  180    HB3  ALA  30          3HB       ALA  30   9.793  -3.831   4.332
  181    H    LYS  31           H        LYS  31   8.061  -3.626   0.638
  182    HA   LYS  31           HA       LYS  31   7.721  -0.794  -0.006
  183    HB3  LYS  31          2HB       LYS  31  10.018  -2.531  -0.835
  184    HG3  LYS  31          2HG       LYS  31  10.432  -0.440  -2.428
  185    HD3  LYS  31          2HD       LYS  31   9.346  -1.875  -4.275
  186    HE3  LYS  31          2HE       LYS  31  11.165  -3.634  -2.774
  187    HZ1  LYS  31          1HZ       LYS  31  11.936  -4.041  -4.812
  188    HZ2  LYS  31          2HZ       LYS  31  12.052  -2.402  -5.216
  189    HZ3  LYS  31          3HZ       LYS  31  10.574  -3.211  -5.378
  190    H    CYS  32           H        CYS  32   6.525  -0.410  -1.817
  191    HA   CYS  32           HA       CYS  32   4.735  -2.298  -2.739
  192    HB3  CYS  32          2HB       CYS  32   5.163  -0.461  -4.860
  193    H    VAL  33           H        VAL  33   5.125  -4.137  -3.767
  194    HA   VAL  33           HA       VAL  33   7.236  -4.179  -5.826
  195    HB   VAL  33           HB       VAL  33   7.170  -6.724  -5.380
  196   HG11  VAL  33          1HG1      VAL  33   8.648  -4.581  -4.237
  197   HG12  VAL  33          2HG1      VAL  33   8.434  -5.829  -3.007
  198   HG13  VAL  33          3HG1      VAL  33   9.171  -6.235  -4.557
  199   HG21  VAL  33          1HG2      VAL  33   6.080  -7.547  -3.599
  200   HG22  VAL  33          2HG2      VAL  33   6.501  -6.169  -2.581
  201   HG23  VAL  33          3HG2      VAL  33   5.136  -6.059  -3.693
  202    H    SER  34           H        SER  34   6.699  -4.786  -7.838
  203    HA   SER  34           HA       SER  34   4.076  -4.827  -8.724
  204    HB3  SER  34          2HB       SER  34   6.625  -5.878  -9.941
  205    HG   SER  34           HG       SER  34   5.429  -6.934 -11.300
  Start of MODEL    3
    1    H1   SER   1           H        SER   1  -7.708  13.961 -14.453
    2    HA   SER   1           HA       SER   1  -5.342  14.532 -15.874
    3    HB3  SER   1          2HB       SER   1  -7.844  16.112 -15.308
    4    HG   SER   1           HG       SER   1  -5.724  16.934 -17.003
    5    H    GLN   2           H        GLN   2  -6.861  16.579 -13.378
    6    HA   GLN   2           HA       GLN   2  -4.153  17.324 -12.487
    7    HB3  GLN   2          2HB       GLN   2  -6.455  19.186 -12.104
    8    HG3  GLN   2          2HG       GLN   2  -3.796  20.050 -13.068
    9   HE21  GLN   2          1HE2      GLN   2  -5.508  21.682 -13.654
   10   HE22  GLN   2          2HE2      GLN   2  -5.867  22.890 -12.472
   11    H    GLU   3           H        GLU   3  -5.583  15.144 -11.427
   12    HA   GLU   3           HA       GLU   3  -5.600  15.883  -8.651
   13    HB3  GLU   3          2HB       GLU   3  -7.874  16.526  -9.215
   14    HG3  GLU   3          2HG       GLU   3  -8.042  13.787 -10.403
   15    H    GLN   4           H        GLN   4  -3.912  14.200  -9.921
   16    HA   GLN   4           HA       GLN   4  -4.778  11.551  -8.967
   17    HB3  GLN   4          2HB       GLN   4  -2.894  12.008 -11.279
   18    HG3  GLN   4          2HG       GLN   4  -4.256   9.598 -10.148
   19   HE21  GLN   4          1HE2      GLN   4  -1.993   8.571 -12.151
   20   HE22  GLN   4          2HE2      GLN   4  -2.922   8.256 -13.573
   21    H    ARG   5           H        ARG   5  -3.786  12.171  -6.943
   22    HA   ARG   5           HA       ARG   5  -0.871  12.406  -6.975
   23    HB3  ARG   5          2HB       ARG   5  -2.876  12.717  -4.735
   24    HG3  ARG   5          2HG       ARG   5   0.089  12.728  -4.718
   25    HD3  ARG   5          2HD       ARG   5  -0.705  15.090  -4.240
   26    HE   ARG   5           HE       ARG   5  -2.399  13.812  -2.393
   27   HH11  ARG   5          1HH1      ARG   5  -0.256  16.545  -2.646
   28   HH12  ARG   5          2HH1      ARG   5  -1.106  17.485  -1.465
   29   HH21  ARG   5          1HH2      ARG   5  -3.526  15.041  -0.836
   30   HH22  ARG   5          2HH2      ARG   5  -2.965  16.628  -0.436
   31    H    GLN   6           H        GLN   6   0.232  10.566  -6.953
   32    HA   GLN   6           HA       GLN   6  -0.889   8.092  -6.079
   33    HB3  GLN   6          2HB       GLN   6   0.719   8.073  -7.868
   34    HG3  GLN   6          2HG       GLN   6   3.212   8.437  -6.800
   35   HE21  GLN   6          1HE2      GLN   6   4.206   9.002  -8.583
   36   HE22  GLN   6          2HE2      GLN   6   3.638  10.131  -9.761
   37    H    CYS   7           H        CYS   7  -0.292   6.814  -4.308
   38    HA   CYS   7           HA       CYS   7   0.557   8.354  -1.985
   39    HB3  CYS   7          2HB       CYS   7  -0.413   6.672  -0.657
   40    H    LYS   8           H        LYS   8   1.362   5.233  -3.506
   41    HA   LYS   8           HA       LYS   8   4.165   5.632  -3.031
   42    HB3  LYS   8          2HB       LYS   8   4.161   3.286  -1.781
   43    HG3  LYS   8          2HG       LYS   8   4.579   5.881  -0.951
   44    HD3  LYS   8          2HD       LYS   8   2.139   5.075   0.185
   45    HE3  LYS   8          2HE       LYS   8   4.406   5.042   2.175
   46    HZ1  LYS   8          1HZ       LYS   8   2.926   5.305   3.835
   47    HZ2  LYS   8          2HZ       LYS   8   1.660   4.553   3.002
   48    HZ3  LYS   8          3HZ       LYS   8   2.060   6.161   2.661
   49    H    LYS   9           H        LYS   9   4.727   5.161  -5.073
   50    HA   LYS   9           HA       LYS   9   3.523   2.967  -6.511
   51    HB3  LYS   9          2HB       LYS   9   4.941   3.663  -8.365
   52    HG3  LYS   9          2HG       LYS   9   4.394   6.374  -7.566
   53    HD3  LYS   9          2HD       LYS   9   4.401   5.394  -9.877
   54    HE3  LYS   9          2HE       LYS   9   1.939   4.086  -8.779
   55    HZ1  LYS   9          1HZ       LYS   9   1.137   3.722 -10.975
   56    HZ2  LYS   9          2HZ       LYS   9   2.461   4.513 -11.668
   57    HZ3  LYS   9          3HZ       LYS   9   1.322   5.392 -10.779
   58    H    ILE  10           H        ILE  10   5.470   1.810  -7.939
   59    HA   ILE  10           HA       ILE  10   6.532  -0.115  -6.195
   60    HB   ILE  10           HB       ILE  10   7.472   0.518  -8.995
   61   HG13  ILE  10          2HG1      ILE  10   5.886  -1.271  -9.675
   62   HG21  ILE  10          1HG2      ILE  10   7.745  -2.155  -8.690
   63   HG22  ILE  10          2HG2      ILE  10   9.038  -0.988  -8.412
   64   HG23  ILE  10          3HG2      ILE  10   8.096  -1.599  -7.053
   65   HD11  ILE  10          1HD1      ILE  10   5.714  -1.934  -7.038
   66   HD12  ILE  10          2HD1      ILE  10   4.223  -1.030  -7.297
   67   HD13  ILE  10          3HD1      ILE  10   4.586  -2.437  -8.296
   68    H    GLY  11           H        GLY  11   8.214  -0.013  -4.869
   69    HA2  GLY  11          2HA       GLY  11  10.581   0.283  -4.544
   70    HA3  GLY  11          3HA       GLY  11  10.515   1.658  -5.637
   71    H    GLU  12           H        GLU  12   7.847   1.846  -3.709
   72    HA   GLU  12           HA       GLU  12   9.084   3.915  -2.079
   73    HB3  GLU  12          2HB       GLU  12   6.708   4.398  -1.411
   74    HG3  GLU  12          2HG       GLU  12   6.137   5.553  -3.321
   75    H    HIS  13           H        HIS  13   8.058   4.080   0.228
   76    HA   HIS  13           HA       HIS  13   8.528   1.485   1.518
   77    HB3  HIS  13          2HB       HIS  13   8.536   4.212   2.820
   78    HD1  HIS  13          1HD       HIS  13   7.672   3.271   5.054
   79    HD2  HIS  13          2HD       HIS  13  11.050   1.335   3.605
   80    HE1  HIS  13          1HE       HIS  13   8.511   1.865   6.962
   81    H    CYS  14           H        CYS  14   7.089   0.612   2.964
   82    HA   CYS  14           HA       CYS  14   4.801   1.998   3.937
   83    HB3  CYS  14          2HB       CYS  14   3.867   1.773   1.773
   84    H    TYR  15           H        TYR  15   3.716   0.847   5.527
   85    HA   TYR  15           HA       TYR  15   5.137  -1.490   6.507
   86    HB3  TYR  15          2HB       TYR  15   3.636  -1.197   8.507
   87    HD1  TYR  15          1HD       TYR  15   3.894   2.302   8.045
   88    HD2  TYR  15          2HD       TYR  15   6.219  -1.171   8.837
   89    HE1  TYR  15          1HE       TYR  15   5.679   3.717   8.973
   90    HE2  TYR  15          2HE       TYR  15   8.009   0.233   9.770
   91    HH   TYR  15           HH       TYR  15   8.064   2.650  10.882
   92    H    VAL  16           H        VAL  16   2.012  -0.636   5.178
   93    HA   VAL  16           HA       VAL  16   1.355  -3.498   5.036
   94    HB   VAL  16           HB       VAL  16  -1.055  -2.896   5.411
   95   HG11  VAL  16          1HG1      VAL  16   0.814  -2.345   7.715
   96   HG12  VAL  16          2HG1      VAL  16  -0.874  -2.850   7.836
   97   HG13  VAL  16          3HG1      VAL  16   0.328  -3.942   7.147
   98   HG21  VAL  16          1HG2      VAL  16  -0.536  -0.529   6.963
   99   HG22  VAL  16          2HG2      VAL  16  -0.060  -0.283   5.282
  100   HG23  VAL  16          3HG2      VAL  16  -1.706  -0.785   5.668
  101    H    ALA  17           H        ALA  17  -0.682  -3.738   3.541
  102    HA   ALA  17           HA       ALA  17   0.086  -2.796   0.976
  103    HB1  ALA  17          1HB       ALA  17  -0.926  -4.884   0.945
  104    HB2  ALA  17          2HB       ALA  17  -2.239  -4.374   2.008
  105    HB3  ALA  17          3HB       ALA  17  -2.195  -3.821   0.334
  106    H    ASP  18           H        ASP  18  -2.552  -1.953   3.185
  107    HA   ASP  18           HA       ASP  18  -3.982  -0.227   1.548
  108    HB3  ASP  18          2HB       ASP  18  -4.005   0.889   4.150
  109    H    GLU  19           H        GLU  19  -1.014   0.307   3.336
  110    HA   GLU  19           HA       GLU  19  -0.924   3.110   3.181
  111    HB3  GLU  19          2HB       GLU  19   1.686   2.521   3.174
  112    HG3  GLU  19          2HG       GLU  19   0.961   1.642   5.719
  113    H    CYS  20           H        CYS  20  -0.114   0.613   0.874
  114    HA   CYS  20           HA       CYS  20   1.082   2.529  -0.965
  115    HB3  CYS  20          2HB       CYS  20   0.718  -0.005  -2.201
  116    H    CYS  21           H        CYS  21   0.011   3.509  -2.549
  117    HA   CYS  21           HA       CYS  21  -2.770   3.359  -2.822
  118    HB3  CYS  21          2HB       CYS  21  -1.687   4.316  -5.265
  119    H    SER  22           H        SER  22  -0.208   1.577  -4.366
  120    HA   SER  22           HA       SER  22  -1.929   0.485  -6.418
  121    HB3  SER  22          2HB       SER  22   0.882  -0.332  -5.642
  122    HG   SER  22           HG       SER  22  -0.271  -0.602  -8.189
  123    H    LYS  23           H        LYS  23  -1.159  -0.220  -3.185
  124    HA   LYS  23           HA       LYS  23  -1.779  -1.893  -1.774
  125    HB3  LYS  23          2HB       LYS  23  -3.674  -3.270  -2.344
  126    HG3  LYS  23          2HG       LYS  23  -4.913  -1.270  -3.835
  127    HD3  LYS  23          2HD       LYS  23  -4.646  -1.383  -0.834
  128    HE3  LYS  23          2HE       LYS  23  -7.160  -0.769  -2.303
  129    HZ1  LYS  23          1HZ       LYS  23  -6.428   0.876  -0.092
  130    HZ2  LYS  23          2HZ       LYS  23  -6.380  -0.763   0.321
  131    HZ3  LYS  23          3HZ       LYS  23  -7.801  -0.090  -0.303
  132    H    ARG  24           H        ARG  24   0.621  -2.234  -3.016
  133    HA   ARG  24           HA       ARG  24   0.711  -5.150  -3.392
  134    HB3  ARG  24          2HB       ARG  24   2.883  -4.260  -4.812
  135    HG3  ARG  24          2HG       ARG  24   1.634  -4.768  -6.846
  136    HD3  ARG  24          2HD       ARG  24   0.618  -6.756  -4.876
  137    HE   ARG  24           HE       ARG  24   1.355  -6.844  -7.593
  138   HH11  ARG  24          1HH1      ARG  24   1.599  -8.701  -4.659
  139   HH12  ARG  24          2HH1      ARG  24   1.669 -10.227  -5.476
  140   HH21  ARG  24          1HH2      ARG  24   1.446  -8.847  -8.681
  141   HH22  ARG  24          2HH2      ARG  24   1.582 -10.309  -7.764
  142    H    CYS  25           H        CYS  25   1.108  -3.580  -0.995
  143    HA   CYS  25           HA       CYS  25   3.976  -3.577  -0.537
  144    HB3  CYS  25          2HB       CYS  25   1.928  -3.108   1.605
  145    H    LEU  26           H        LEU  26   5.014  -4.824   1.071
  146    HA   LEU  26           HA       LEU  26   3.521  -7.169   2.026
  147    HB3  LEU  26          2HB       LEU  26   6.333  -7.297   0.960
  148    HG   LEU  26           HG       LEU  26   5.426  -9.156   2.525
  149   HD11  LEU  26          1HD1      LEU  26   3.260  -9.213   1.120
  150   HD12  LEU  26          2HD1      LEU  26   3.974 -10.735   1.650
  151   HD13  LEU  26          3HD1      LEU  26   4.208 -10.182  -0.008
  152   HD21  LEU  26          1HD2      LEU  26   6.375 -10.272  -0.059
  153   HD22  LEU  26          2HD2      LEU  26   6.930 -10.588   1.584
  154   HD23  LEU  26          3HD2      LEU  26   7.400  -9.098   0.766
  155    H    PHE  27           H        PHE  27   4.307  -8.116   3.951
  156    HA   PHE  27           HA       PHE  27   5.340  -6.266   5.829
  157    HB3  PHE  27          2HB       PHE  27   5.546  -8.446   7.251
  158    HD1  PHE  27          1HD       PHE  27   4.192  -7.926   9.015
  159    HD2  PHE  27          2HD       PHE  27   2.638  -7.588   5.068
  160    HE1  PHE  27          1HE       PHE  27   2.039  -7.169   9.932
  161    HE2  PHE  27          2HE       PHE  27   0.481  -6.829   5.978
  162    HZ   PHE  27           HZ       PHE  27   0.180  -6.618   8.414
  163    H    TYR  28           H        TYR  28   6.797  -8.722   3.832
  164    HA   TYR  28           HA       TYR  28   9.326  -8.620   5.249
  165    HB3  TYR  28          2HB       TYR  28  10.081 -10.192   3.458
  166    HD1  TYR  28          1HD       TYR  28   6.591 -11.205   3.673
  167    HD2  TYR  28          2HD       TYR  28  10.370 -11.328   5.624
  168    HE1  TYR  28          1HE       TYR  28   5.780 -13.024   5.116
  169    HE2  TYR  28          2HE       TYR  28   9.571 -13.149   7.071
  170    HH   TYR  28           HH       TYR  28   6.267 -14.424   6.764
  171    H    ALA  29           H        ALA  29   8.130  -7.781   2.002
  172    HA   ALA  29           HA       ALA  29  10.551  -6.577   1.148
  173    HB1  ALA  29          1HB       ALA  29   8.183  -7.309  -0.058
  174    HB2  ALA  29          2HB       ALA  29   8.169  -5.548  -0.161
  175    HB3  ALA  29          3HB       ALA  29   9.523  -6.459  -0.827
  176    H    ALA  30           H        ALA  30   7.584  -5.304   2.590
  177    HA   ALA  30           HA       ALA  30   7.102  -3.316   3.589
  178    HB1  ALA  30          1HB       ALA  30   9.728  -2.182   3.842
  179    HB2  ALA  30          2HB       ALA  30   8.644  -2.787   5.095
  180    HB3  ALA  30          3HB       ALA  30   9.754  -3.890   4.281
  181    H    LYS  31           H        LYS  31   8.038  -3.600   0.587
  182    HA   LYS  31           HA       LYS  31   7.682  -0.752   0.018
  183    HB3  LYS  31          2HB       LYS  31   9.995  -2.451  -0.846
  184    HG3  LYS  31          2HG       LYS  31  10.401  -0.315  -2.381
  185    HD3  LYS  31          2HD       LYS  31   9.335  -1.707  -4.271
  186    HE3  LYS  31          2HE       LYS  31  11.729  -1.922  -2.895
  187    HZ1  LYS  31          1HZ       LYS  31  12.074  -4.011  -2.241
  188    HZ2  LYS  31          2HZ       LYS  31  11.262  -4.677  -3.568
  189    HZ3  LYS  31          3HZ       LYS  31  10.390  -4.170  -2.210
  190    H    CYS  32           H        CYS  32   6.491  -0.329  -1.790
  191    HA   CYS  32           HA       CYS  32   4.720  -2.204  -2.770
  192    HB3  CYS  32          2HB       CYS  32   5.145  -0.309  -4.840
  193    H    VAL  33           H        VAL  33   5.129  -4.013  -3.844
  194    HA   VAL  33           HA       VAL  33   7.250  -3.985  -5.893
  195    HB   VAL  33           HB       VAL  33   7.198  -6.542  -5.516
  196   HG11  VAL  33          1HG1      VAL  33   8.656  -4.421  -4.310
  197   HG12  VAL  33          2HG1      VAL  33   8.446  -5.702  -3.114
  198   HG13  VAL  33          3HG1      VAL  33   9.192  -6.062  -4.672
  199   HG21  VAL  33          1HG2      VAL  33   5.152  -5.936  -3.824
  200   HG22  VAL  33          2HG2      VAL  33   6.106  -7.419  -3.759
  201   HG23  VAL  33          3HG2      VAL  33   6.511  -6.062  -2.707
  202    H    SER  34           H        SER  34   6.727  -4.540  -7.923
  203    HA   SER  34           HA       SER  34   4.109  -4.575  -8.824
  204    HB3  SER  34          2HB       SER  34   6.672  -5.574 -10.056
  205    HG   SER  34           HG       SER  34   5.315  -5.540 -12.038
  Start of MODEL    4
    1    H1   SER   1           H        SER   1  -9.295  17.229 -12.182
    2    HA   SER   1           HA       SER   1  -7.391  15.514 -11.258
    3    HB3  SER   1          2HB       SER   1  -9.366  17.000  -9.508
    4    HG   SER   1           HG       SER   1  -7.961  15.549  -8.398
    5    H    GLN   2           H        GLN   2  -7.443  13.406 -10.887
    6    HA   GLN   2           HA       GLN   2  -9.727  12.281  -9.430
    7    HB3  GLN   2          2HB       GLN   2  -8.438  10.925 -11.801
    8    HG3  GLN   2          2HG       GLN   2 -10.453  10.112  -9.843
    9   HE21  GLN   2          1HE2      GLN   2 -10.076   9.697 -13.352
   10   HE22  GLN   2          2HE2      GLN   2 -11.754   9.436 -13.671
   11    H    GLU   3           H        GLU   3  -6.639  11.179 -10.841
   12    HA   GLU   3           HA       GLU   3  -5.947  10.080  -8.195
   13    HB3  GLU   3          2HB       GLU   3  -6.329   8.267  -9.733
   14    HG3  GLU   3          2HG       GLU   3  -4.616   9.851 -11.582
   15    H    GLN   4           H        GLN   4  -5.315  12.671  -8.635
   16    HA   GLN   4           HA       GLN   4  -2.738  13.026  -9.808
   17    HB3  GLN   4          2HB       GLN   4  -3.803  14.917  -7.756
   18    HG3  GLN   4          2HG       GLN   4  -2.152  15.066 -10.188
   19   HE21  GLN   4          1HE2      GLN   4  -2.482  16.358 -11.840
   20   HE22  GLN   4          2HE2      GLN   4  -3.560  17.707 -11.883
   21    H    ARG   5           H        ARG   5  -0.819  12.566  -8.972
   22    HA   ARG   5           HA       ARG   5   0.837  12.053  -7.499
   23    HB3  ARG   5          2HB       ARG   5  -0.786  13.278  -5.288
   24    HG3  ARG   5          2HG       ARG   5   1.878  14.233  -5.436
   25    HD3  ARG   5          2HD       ARG   5   0.437  12.384  -3.543
   26    HE   ARG   5           HE       ARG   5   2.507  12.113  -2.623
   27   HH11  ARG   5          1HH1      ARG   5   2.235  15.371  -3.817
   28   HH12  ARG   5          2HH1      ARG   5   3.757  15.877  -3.164
   29   HH21  ARG   5          1HH2      ARG   5   4.513  12.766  -1.758
   30   HH22  ARG   5          2HH2      ARG   5   5.053  14.395  -1.994
   31    H    GLN   6           H        GLN   6   0.898   9.897  -7.281
   32    HA   GLN   6           HA       GLN   6  -1.161   8.378  -6.030
   33    HB3  GLN   6          2HB       GLN   6   0.673   6.546  -6.144
   34    HG3  GLN   6          2HG       GLN   6  -1.184   6.912  -7.827
   35   HE21  GLN   6          1HE2      GLN   6  -1.811   8.725  -8.824
   36   HE22  GLN   6          2HE2      GLN   6  -0.937   9.510 -10.092
   37    H    CYS   7           H        CYS   7  -0.352   6.662  -4.315
   38    HA   CYS   7           HA       CYS   7   0.513   8.239  -2.021
   39    HB3  CYS   7          2HB       CYS   7  -0.438   6.573  -0.661
   40    H    LYS   8           H        LYS   8   1.316   5.099  -3.504
   41    HA   LYS   8           HA       LYS   8   4.122   5.516  -3.060
   42    HB3  LYS   8          2HB       LYS   8   4.140   3.188  -1.778
   43    HG3  LYS   8          2HG       LYS   8   4.555   5.796  -0.989
   44    HD3  LYS   8          2HD       LYS   8   2.126   4.997   0.180
   45    HE3  LYS   8          2HE       LYS   8   4.412   5.002   2.149
   46    HZ1  LYS   8          1HZ       LYS   8   1.489   4.897   2.666
   47    HZ2  LYS   8          2HZ       LYS   8   2.482   6.232   2.969
   48    HZ3  LYS   8          3HZ       LYS   8   2.713   4.796   3.831
   49    H    LYS   9           H        LYS   9   4.668   5.019  -5.100
   50    HA   LYS   9           HA       LYS   9   3.459   2.801  -6.498
   51    HB3  LYS   9          2HB       LYS   9   4.857   3.476  -8.374
   52    HG3  LYS   9          2HG       LYS   9   4.314   6.196  -7.605
   53    HD3  LYS   9          2HD       LYS   9   2.465   5.745  -9.380
   54    HE3  LYS   9          2HE       LYS   9   5.427   5.730  -9.779
   55    HZ1  LYS   9          1HZ       LYS   9   3.411   5.108 -11.784
   56    HZ2  LYS   9          2HZ       LYS   9   5.054   4.713 -11.742
   57    HZ3  LYS   9          3HZ       LYS   9   4.570   6.260 -12.225
   58    H    ILE  10           H        ILE  10   5.400   1.631  -7.926
   59    HA   ILE  10           HA       ILE  10   6.485  -0.264  -6.165
   60    HB   ILE  10           HB       ILE  10   7.397   0.330  -8.982
   61   HG13  ILE  10          2HG1      ILE  10   5.811  -1.472  -9.623
   62   HG21  ILE  10          1HG2      ILE  10   8.044  -1.756  -7.014
   63   HG22  ILE  10          2HG2      ILE  10   7.681  -2.337  -8.638
   64   HG23  ILE  10          3HG2      ILE  10   8.973  -1.163  -8.391
   65   HD11  ILE  10          1HD1      ILE  10   5.666  -2.100  -6.974
   66   HD12  ILE  10          2HD1      ILE  10   4.168  -1.205  -7.233
   67   HD13  ILE  10          3HD1      ILE  10   4.529  -2.624  -8.216
   68    H    GLY  11           H        GLY  11   8.178  -0.136  -4.855
   69    HA2  GLY  11          2HA       GLY  11  10.546   0.173  -4.556
   70    HA3  GLY  11          3HA       GLY  11  10.466   1.532  -5.667
   71    H    GLU  12           H        GLU  12   7.814   1.736  -3.717
   72    HA   GLU  12           HA       GLU  12   9.058   3.835  -2.130
   73    HB3  GLU  12          2HB       GLU  12   6.687   4.318  -1.447
   74    HG3  GLU  12          2HG       GLU  12   6.091   5.441  -3.369
   75    H    HIS  13           H        HIS  13   8.048   4.028   0.184
   76    HA   HIS  13           HA       HIS  13   8.542   1.454   1.507
   77    HB3  HIS  13          2HB       HIS  13   8.550   4.199   2.769
   78    HD1  HIS  13          1HD       HIS  13   7.710   3.286   5.024
   79    HD2  HIS  13          2HD       HIS  13  11.085   1.346   3.573
   80    HE1  HIS  13          1HE       HIS  13   8.573   1.911   6.945
   81    H    CYS  14           H        CYS  14   7.120   0.596   2.979
   82    HA   CYS  14           HA       CYS  14   4.836   1.986   3.953
   83    HB3  CYS  14          2HB       CYS  14   3.882   1.727   1.801
   84    H    TYR  15           H        TYR  15   3.770   0.851   5.569
   85    HA   TYR  15           HA       TYR  15   5.210  -1.464   6.568
   86    HB3  TYR  15          2HB       TYR  15   3.750  -1.151   8.583
   87    HD1  TYR  15          1HD       TYR  15   6.208  -1.054   9.131
   88    HD2  TYR  15          2HD       TYR  15   4.036   2.348   7.784
   89    HE1  TYR  15          1HE       TYR  15   7.978   0.414  10.003
   90    HE2  TYR  15          2HE       TYR  15   5.802   3.825   8.651
   91    HH   TYR  15           HH       TYR  15   8.009   2.972  10.824
   92    H    VAL  16           H        VAL  16   2.068  -0.642   5.257
   93    HA   VAL  16           HA       VAL  16   1.423  -3.508   5.161
   94    HB   VAL  16           HB       VAL  16  -0.994  -2.886   5.533
   95   HG11  VAL  16          1HG1      VAL  16   0.094  -2.141   8.092
   96   HG12  VAL  16          2HG1      VAL  16  -0.672  -3.651   7.595
   97   HG13  VAL  16          3HG1      VAL  16   1.059  -3.419   7.353
   98   HG21  VAL  16          1HG2      VAL  16  -1.654  -0.805   6.145
   99   HG22  VAL  16          2HG2      VAL  16  -0.141  -0.448   6.977
  100   HG23  VAL  16          3HG2      VAL  16  -0.227  -0.343   5.218
  101    H    ALA  17           H        ALA  17  -0.627  -3.778   3.687
  102    HA   ALA  17           HA       ALA  17   0.115  -2.869   1.103
  103    HB1  ALA  17          1HB       ALA  17  -0.888  -4.961   1.106
  104    HB2  ALA  17          2HB       ALA  17  -2.190  -4.445   2.178
  105    HB3  ALA  17          3HB       ALA  17  -2.170  -3.912   0.498
  106    H    ASP  18           H        ASP  18  -2.506  -2.005   3.323
  107    HA   ASP  18           HA       ASP  18  -3.959  -0.310   1.675
  108    HB3  ASP  18          2HB       ASP  18  -4.222   0.919   4.085
  109    H    GLU  19           H        GLU  19  -0.977   0.263   3.427
  110    HA   GLU  19           HA       GLU  19  -0.901   3.063   3.232
  111    HB3  GLU  19          2HB       GLU  19   1.666   2.621   3.316
  112    HG3  GLU  19          2HG       GLU  19   1.308   1.543   5.716
  113    H    CYS  20           H        CYS  20  -0.101   0.537   0.953
  114    HA   CYS  20           HA       CYS  20   1.070   2.431  -0.923
  115    HB3  CYS  20          2HB       CYS  20   0.706  -0.122  -2.120
  116    H    CYS  21           H        CYS  21  -0.019   3.384  -2.512
  117    HA   CYS  21           HA       CYS  21  -2.801   3.218  -2.758
  118    HB3  CYS  21          2HB       CYS  21  -1.745   4.145  -5.224
  119    H    SER  22           H        SER  22  -0.247   1.424  -4.297
  120    HA   SER  22           HA       SER  22  -1.979   0.296  -6.320
  121    HB3  SER  22          2HB       SER  22   0.683  -0.903  -5.716
  122    HG   SER  22           HG       SER  22   0.638  -0.431  -8.154
  123    H    LYS  23           H        LYS  23  -1.180  -0.360  -3.083
  124    HA   LYS  23           HA       LYS  23  -1.780  -2.015  -1.643
  125    HB3  LYS  23          2HB       LYS  23  -3.674  -3.408  -2.177
  126    HG3  LYS  23          2HG       LYS  23  -4.935  -1.434  -3.684
  127    HD3  LYS  23          2HD       LYS  23  -4.640  -1.502  -0.684
  128    HE3  LYS  23          2HE       LYS  23  -6.389  -0.127  -2.577
  129    HZ1  LYS  23          1HZ       LYS  23  -8.024  -1.694  -1.983
  130    HZ2  LYS  23          2HZ       LYS  23  -8.319  -0.343  -1.010
  131    HZ3  LYS  23          3HZ       LYS  23  -7.556  -1.704  -0.356
  132    H    ARG  24           H        ARG  24   0.612  -2.363  -2.903
  133    HA   ARG  24           HA       ARG  24   0.710  -5.285  -3.236
  134    HB3  ARG  24          2HB       ARG  24   2.865  -4.404  -4.689
  135    HG3  ARG  24          2HG       ARG  24   1.601  -4.950  -6.705
  136    HD3  ARG  24          2HD       ARG  24   0.541  -6.956  -4.821
  137    HE   ARG  24           HE       ARG  24   2.515  -7.738  -6.733
  138   HH11  ARG  24          1HH1      ARG  24  -0.822  -6.826  -6.338
  139   HH12  ARG  24          2HH1      ARG  24  -1.358  -7.678  -7.748
  140   HH21  ARG  24          1HH2      ARG  24   1.822  -8.863  -8.592
  141   HH22  ARG  24          2HH2      ARG  24   0.147  -8.837  -9.029
  142    H    CYS  25           H        CYS  25   1.121  -3.677  -0.866
  143    HA   CYS  25           HA       CYS  25   3.995  -3.657  -0.435
  144    HB3  CYS  25          2HB       CYS  25   1.965  -3.166   1.719
  145    H    LEU  26           H        LEU  26   5.052  -4.875   1.182
  146    HA   LEU  26           HA       LEU  26   3.578  -7.212   2.183
  147    HB3  LEU  26          2HB       LEU  26   6.382  -7.342   1.095
  148    HG   LEU  26           HG       LEU  26   5.497  -9.183   2.694
  149   HD11  LEU  26          1HD1      LEU  26   4.260 -10.250   0.188
  150   HD12  LEU  26          2HD1      LEU  26   3.318  -9.270   1.312
  151   HD13  LEU  26          3HD1      LEU  26   4.044 -10.782   1.856
  152   HD21  LEU  26          1HD2      LEU  26   6.428 -10.333   0.118
  153   HD22  LEU  26          2HD2      LEU  26   7.000 -10.623   1.761
  154   HD23  LEU  26          3HD2      LEU  26   7.455  -9.141   0.916
  155    H    PHE  27           H        PHE  27   4.386  -8.127   4.115
  156    HA   PHE  27           HA       PHE  27   5.426  -6.248   5.956
  157    HB3  PHE  27          2HB       PHE  27   5.655  -8.406   7.407
  158    HD1  PHE  27          1HD       PHE  27   2.721  -7.597   5.241
  159    HD2  PHE  27          2HD       PHE  27   4.320  -7.856   9.178
  160    HE1  PHE  27          1HE       PHE  27   0.571  -6.834   6.162
  161    HE2  PHE  27          2HE       PHE  27   2.172  -7.094  10.104
  162    HZ   PHE  27           HZ       PHE  27   0.293  -6.582   8.596
  163    H    TYR  28           H        TYR  28   6.877  -8.725   3.984
  164    HA   TYR  28           HA       TYR  28   9.417  -8.591   5.376
  165    HB3  TYR  28          2HB       TYR  28  10.163 -10.186   3.601
  166    HD1  TYR  28          1HD       TYR  28   6.681 -11.211   3.861
  167    HD2  TYR  28          2HD       TYR  28  10.477 -11.288   5.783
  168    HE1  TYR  28          1HE       TYR  28   5.891 -13.012   5.337
  169    HE2  TYR  28          2HE       TYR  28   9.697 -13.091   7.263
  170    HH   TYR  28           HH       TYR  28   7.859 -14.200   8.003
  171    H    ALA  29           H        ALA  29   8.189  -7.805   2.128
  172    HA   ALA  29           HA       ALA  29  10.597  -6.603   1.234
  173    HB1  ALA  29          1HB       ALA  29   8.462  -7.478  -0.062
  174    HB2  ALA  29          2HB       ALA  29   7.999  -5.779   0.056
  175    HB3  ALA  29          3HB       ALA  29   9.511  -6.228  -0.734
  176    H    ALA  30           H        ALA  30   7.638  -5.322   2.685
  177    HA   ALA  30           HA       ALA  30   7.156  -3.323   3.659
  178    HB1  ALA  30          1HB       ALA  30   9.820  -3.875   4.332
  179    HB2  ALA  30          2HB       ALA  30   9.777  -2.171   3.875
  180    HB3  ALA  30          3HB       ALA  30   8.710  -2.770   5.144
  181    H    LYS  31           H        LYS  31   8.067  -3.644   0.654
  182    HA   LYS  31           HA       LYS  31   7.693  -0.808   0.046
  183    HB3  LYS  31          2HB       LYS  31  10.006  -2.510  -0.814
  184    HG3  LYS  31          2HG       LYS  31  10.390  -0.395  -2.383
  185    HD3  LYS  31          2HD       LYS  31   9.311  -1.819  -4.244
  186    HE3  LYS  31          2HE       LYS  31  11.256  -3.354  -2.556
  187    HZ1  LYS  31          1HZ       LYS  31  10.826  -4.374  -4.608
  188    HZ2  LYS  31          2HZ       LYS  31  12.297  -3.568  -4.826
  189    HZ3  LYS  31          3HZ       LYS  31  10.872  -2.911  -5.458
  190    H    CYS  32           H        CYS  32   6.485  -0.416  -1.756
  191    HA   CYS  32           HA       CYS  32   4.712  -2.312  -2.693
  192    HB3  CYS  32          2HB       CYS  32   5.112  -0.444  -4.794
  193    H    VAL  33           H        VAL  33   5.119  -4.134  -3.746
  194    HA   VAL  33           HA       VAL  33   7.222  -4.126  -5.813
  195    HB   VAL  33           HB       VAL  33   7.183  -6.680  -5.399
  196   HG11  VAL  33          1HG1      VAL  33   8.644  -4.535  -4.236
  197   HG12  VAL  33          2HG1      VAL  33   8.450  -5.800  -3.022
  198   HG13  VAL  33          3HG1      VAL  33   9.184  -6.179  -4.581
  199   HG21  VAL  33          1HG2      VAL  33   6.112  -7.533  -3.619
  200   HG22  VAL  33          2HG2      VAL  33   6.520  -6.160  -2.590
  201   HG23  VAL  33          3HG2      VAL  33   5.150  -6.056  -3.696
  202    H    SER  34           H        SER  34   6.683  -4.714  -7.830
  203    HA   SER  34           HA       SER  34   4.057  -4.771  -8.707
  204    HB3  SER  34          2HB       SER  34   6.681  -5.517  -9.892
  205    HG   SER  34           HG       SER  34   4.212  -6.158 -11.137
  Start of MODEL    5
    1    H1   SER   1           H        SER   1   0.430  12.633 -18.086
    2    HA   SER   1           HA       SER   1  -0.492  13.241 -16.091
    3    HB3  SER   1          2HB       SER   1  -0.415  11.452 -14.737
    4    HG   SER   1           HG       SER   1   1.806  10.238 -14.807
    5    H    GLN   2           H        GLN   2   0.296  14.196 -13.820
    6    HA   GLN   2           HA       GLN   2   2.832  15.517 -13.855
    7    HB3  GLN   2          2HB       GLN   2   1.420  17.814 -13.729
    8    HG3  GLN   2          2HG       GLN   2   1.881  17.175 -16.517
    9   HE21  GLN   2          1HE2      GLN   2   0.899  19.403 -15.457
   10   HE22  GLN   2          2HE2      GLN   2   2.074  20.669 -15.446
   11    H    GLU   3           H        GLU   3  -0.437  16.262 -12.629
   12    HA   GLU   3           HA       GLU   3   0.635  16.713  -9.978
   13    HB3  GLU   3          2HB       GLU   3  -1.118  18.188 -10.852
   14    HG3  GLU   3          2HG       GLU   3  -2.635  15.647 -11.116
   15    H    GLN   4           H        GLN   4  -0.324  15.681  -8.072
   16    HA   GLN   4           HA       GLN   4  -0.824  13.850  -6.818
   17    HB3  GLN   4          2HB       GLN   4  -2.226  12.129  -8.524
   18    HG3  GLN   4          2HG       GLN   4  -2.794  13.015  -6.182
   19   HE21  GLN   4          1HE2      GLN   4  -5.248  14.366  -8.246
   20   HE22  GLN   4          2HE2      GLN   4  -5.208  15.963  -7.588
   21    H    ARG   5           H        ARG   5   1.123  12.902  -6.488
   22    HA   ARG   5           HA       ARG   5   2.212  11.135  -8.549
   23    HB3  ARG   5          2HB       ARG   5   3.592  11.622  -5.946
   24    HG3  ARG   5          2HG       ARG   5   4.551  11.424  -8.793
   25    HD3  ARG   5          2HD       ARG   5   5.821  12.431  -6.363
   26    HE   ARG   5           HE       ARG   5   6.868  10.004  -7.391
   27   HH11  ARG   5          1HH1      ARG   5   7.812  13.162  -6.269
   28   HH12  ARG   5          2HH1      ARG   5   9.387  12.653  -5.758
   29   HH21  ARG   5          1HH2      ARG   5   8.940   9.322  -6.724
   30   HH22  ARG   5          2HH2      ARG   5  10.028  10.468  -6.019
   31    H    GLN   6           H        GLN   6  -0.141  10.266  -7.271
   32    HA   GLN   6           HA       GLN   6  -1.054   8.484  -6.185
   33    HB3  GLN   6          2HB       GLN   6   1.346   6.813  -6.248
   34    HG3  GLN   6          2HG       GLN   6  -1.005   6.407  -8.020
   35   HE21  GLN   6          1HE2      GLN   6  -1.134   4.347  -8.691
   36   HE22  GLN   6          2HE2      GLN   6  -0.056   3.087  -8.207
   37    H    CYS   7           H        CYS   7  -0.250   6.602  -4.465
   38    HA   CYS   7           HA       CYS   7   0.537   8.180  -2.144
   39    HB3  CYS   7          2HB       CYS   7  -0.424   6.492  -0.814
   40    H    LYS   8           H        LYS   8   1.418   5.059  -3.621
   41    HA   LYS   8           HA       LYS   8   4.206   5.510  -3.106
   42    HB3  LYS   8          2HB       LYS   8   4.223   3.176  -1.835
   43    HG3  LYS   8          2HG       LYS   8   4.584   5.784  -1.022
   44    HD3  LYS   8          2HD       LYS   8   2.138   4.950   0.081
   45    HE3  LYS   8          2HE       LYS   8   4.370   4.971   2.109
   46    HZ1  LYS   8          1HZ       LYS   8   2.157   6.132   2.663
   47    HZ2  LYS   8          2HZ       LYS   8   2.790   5.019   3.767
   48    HZ3  LYS   8          3HZ       LYS   8   1.523   4.566   2.744
   49    H    LYS   9           H        LYS   9   4.808   5.030  -5.134
   50    HA   LYS   9           HA       LYS   9   3.664   2.803  -6.572
   51    HB3  LYS   9          2HB       LYS   9   5.103   3.505  -8.409
   52    HG3  LYS   9          2HG       LYS   9   4.494   6.213  -7.649
   53    HD3  LYS   9          2HD       LYS   9   2.840   4.544  -9.492
   54    HE3  LYS   9          2HE       LYS   9   3.923   7.351  -9.485
   55    HZ1  LYS   9          1HZ       LYS   9   4.029   6.427 -11.739
   56    HZ2  LYS   9          2HZ       LYS   9   2.869   7.652 -11.611
   57    HZ3  LYS   9          3HZ       LYS   9   2.386   6.030 -11.655
   58    H    ILE  10           H        ILE  10   5.653   1.665  -7.957
   59    HA   ILE  10           HA       ILE  10   6.720  -0.224  -6.179
   60    HB   ILE  10           HB       ILE  10   7.694   0.395  -8.970
   61   HG13  ILE  10          2HG1      ILE  10   6.145  -1.423  -9.658
   62   HG21  ILE  10          1HG2      ILE  10   8.316  -1.693  -6.996
   63   HG22  ILE  10          2HG2      ILE  10   8.001  -2.270  -8.633
   64   HG23  ILE  10          3HG2      ILE  10   9.273  -1.082  -8.345
   65   HD11  ILE  10          1HD1      ILE  10   5.942  -2.065  -7.016
   66   HD12  ILE  10          2HD1      ILE  10   4.440  -1.188  -7.309
   67   HD13  ILE  10          3HD1      ILE  10   4.843  -2.598  -8.288
   68    H    GLY  11           H        GLY  11   8.377  -0.075  -4.825
   69    HA2  GLY  11          2HA       GLY  11  10.735   0.262  -4.468
   70    HA3  GLY  11          3HA       GLY  11  10.662   1.625  -5.576
   71    H    GLU  12           H        GLU  12   7.962   1.780  -3.686
   72    HA   GLU  12           HA       GLU  12   9.139   3.888  -2.061
   73    HB3  GLU  12          2HB       GLU  12   6.745   4.338  -1.434
   74    HG3  GLU  12          2HG       GLU  12   6.184   5.463  -3.365
   75    H    HIS  13           H        HIS  13   8.069   4.057   0.229
   76    HA   HIS  13           HA       HIS  13   8.565   1.483   1.552
   77    HB3  HIS  13          2HB       HIS  13   8.506   4.221   2.827
   78    HD1  HIS  13          1HD       HIS  13   7.625   3.288   5.058
   79    HD2  HIS  13          2HD       HIS  13  11.054   1.393   3.677
   80    HE1  HIS  13          1HE       HIS  13   8.458   1.912   6.991
   81    H    CYS  14           H        CYS  14   7.117   0.597   2.981
   82    HA   CYS  14           HA       CYS  14   4.791   1.953   3.904
   83    HB3  CYS  14          2HB       CYS  14   3.894   1.691   1.729
   84    H    TYR  15           H        TYR  15   3.702   0.799   5.489
   85    HA   TYR  15           HA       TYR  15   5.147  -1.501   6.517
   86    HB3  TYR  15          2HB       TYR  15   3.652  -1.215   8.499
   87    HD1  TYR  15          1HD       TYR  15   3.917   2.281   7.572
   88    HD2  TYR  15          2HD       TYR  15   6.020  -1.031   9.218
   89    HE1  TYR  15          1HE       TYR  15   5.619   3.815   8.467
   90    HE2  TYR  15          2HE       TYR  15   7.727   0.493  10.119
   91    HH   TYR  15           HH       TYR  15   7.487   3.363  10.742
   92    H    VAL  16           H        VAL  16   2.031  -0.718   5.125
   93    HA   VAL  16           HA       VAL  16   1.429  -3.592   5.001
   94    HB   VAL  16           HB       VAL  16  -0.992  -3.049   5.344
   95   HG11  VAL  16          1HG1      VAL  16   0.528  -3.955   7.121
   96   HG12  VAL  16          2HG1      VAL  16   0.717  -2.302   7.709
   97   HG13  VAL  16          3HG1      VAL  16  -0.872  -3.068   7.723
   98   HG21  VAL  16          1HG2      VAL  16  -0.235  -0.459   5.014
   99   HG22  VAL  16          2HG2      VAL  16  -1.751  -0.973   5.753
  100   HG23  VAL  16          3HG2      VAL  16  -0.370  -0.561   6.769
  101    H    ALA  17           H        ALA  17  -0.583  -3.882   3.477
  102    HA   ALA  17           HA       ALA  17   0.210  -2.951   0.916
  103    HB1  ALA  17          1HB       ALA  17  -2.092  -4.568   1.933
  104    HB2  ALA  17          2HB       ALA  17  -2.053  -4.017   0.257
  105    HB3  ALA  17          3HB       ALA  17  -0.766  -5.052   0.875
  106    H    ASP  18           H        ASP  18  -2.477  -2.133   3.074
  107    HA   ASP  18           HA       ASP  18  -3.910  -0.448   1.400
  108    HB3  ASP  18          2HB       ASP  18  -4.077   0.726   3.932
  109    H    GLU  19           H        GLU  19  -0.982   0.154   3.229
  110    HA   GLU  19           HA       GLU  19  -0.937   2.956   3.051
  111    HB3  GLU  19          2HB       GLU  19   1.629   2.556   3.202
  112    HG3  GLU  19          2HG       GLU  19   1.064   1.309   5.568
  113    H    CYS  20           H        CYS  20  -0.048   0.454   0.779
  114    HA   CYS  20           HA       CYS  20   1.143   2.374  -1.058
  115    HB3  CYS  20          2HB       CYS  20   0.842  -0.177  -2.278
  116    H    CYS  21           H        CYS  21   0.080   3.322  -2.669
  117    HA   CYS  21           HA       CYS  21  -2.693   3.122  -2.983
  118    HB3  CYS  21          2HB       CYS  21  -1.587   4.078  -5.417
  119    H    SER  22           H        SER  22  -0.076   1.370  -4.468
  120    HA   SER  22           HA       SER  22  -1.745   0.231  -6.539
  121    HB3  SER  22          2HB       SER  22   1.130  -0.120  -5.721
  122    HG   SER  22           HG       SER  22  -0.264  -1.620  -7.690
  123    H    LYS  23           H        LYS  23  -1.016  -0.433  -3.289
  124    HA   LYS  23           HA       LYS  23  -1.629  -2.105  -1.873
  125    HB3  LYS  23          2HB       LYS  23  -3.491  -3.520  -2.462
  126    HG3  LYS  23          2HG       LYS  23  -4.740  -1.552  -3.988
  127    HD3  LYS  23          2HD       LYS  23  -4.519  -1.636  -0.981
  128    HE3  LYS  23          2HE       LYS  23  -6.857  -0.917  -2.740
  129    HZ1  LYS  23          1HZ       LYS  23  -7.052   0.289  -0.294
  130    HZ2  LYS  23          2HZ       LYS  23  -6.498  -1.268   0.067
  131    HZ3  LYS  23          3HZ       LYS  23  -7.926  -1.062  -0.815
  132    H    ARG  24           H        ARG  24   0.797  -2.416  -3.070
  133    HA   ARG  24           HA       ARG  24   0.941  -5.333  -3.420
  134    HB3  ARG  24          2HB       ARG  24   3.120  -4.415  -4.815
  135    HG3  ARG  24          2HG       ARG  24   1.912  -4.966  -6.863
  136    HD3  ARG  24          2HD       ARG  24   2.421  -6.662  -4.733
  137    HE   ARG  24           HE       ARG  24   0.387  -7.513  -4.160
  138   HH11  ARG  24          1HH1      ARG  24   0.392  -6.861  -7.579
  139   HH12  ARG  24          2HH1      ARG  24  -1.171  -7.556  -7.848
  140   HH21  ARG  24          1HH2      ARG  24  -1.674  -8.432  -4.499
  141   HH22  ARG  24          2HH2      ARG  24  -2.346  -8.449  -6.095
  142    H    CYS  25           H        CYS  25   1.276  -3.734  -1.032
  143    HA   CYS  25           HA       CYS  25   4.135  -3.678  -0.530
  144    HB3  CYS  25          2HB       CYS  25   2.048  -3.225   1.575
  145    H    LEU  26           H        LEU  26   5.168  -4.891   1.107
  146    HA   LEU  26           HA       LEU  26   3.702  -7.254   2.058
  147    HB3  LEU  26          2HB       LEU  26   6.533  -7.340   1.041
  148    HG   LEU  26           HG       LEU  26   5.634  -9.201   2.608
  149   HD11  LEU  26          1HD1      LEU  26   4.225 -10.814   1.725
  150   HD12  LEU  26          2HD1      LEU  26   4.474 -10.271   0.066
  151   HD13  LEU  26          3HD1      LEU  26   3.491  -9.310   1.171
  152   HD21  LEU  26          1HD2      LEU  26   7.180 -10.612   1.707
  153   HD22  LEU  26          2HD2      LEU  26   7.634  -9.122   0.878
  154   HD23  LEU  26          3HD2      LEU  26   6.643 -10.325   0.051
  155    H    PHE  27           H        PHE  27   4.472  -8.168   4.005
  156    HA   PHE  27           HA       PHE  27   5.439  -6.285   5.883
  157    HB3  PHE  27          2HB       PHE  27   5.662  -8.446   7.329
  158    HD1  PHE  27          1HD       PHE  27   2.776  -7.670   5.085
  159    HD2  PHE  27          2HD       PHE  27   4.266  -7.932   9.064
  160    HE1  PHE  27          1HE       PHE  27   0.589  -6.946   5.947
  161    HE2  PHE  27          2HE       PHE  27   2.081  -7.209   9.932
  162    HZ   PHE  27           HZ       PHE  27   0.239  -6.717   8.374
  163    H    TYR  28           H        TYR  28   6.975  -8.732   3.935
  164    HA   TYR  28           HA       TYR  28   9.477  -8.569   5.391
  165    HB3  TYR  28          2HB       TYR  28  10.290 -10.146   3.630
  166    HD1  TYR  28          1HD       TYR  28   6.817 -11.220   3.793
  167    HD2  TYR  28          2HD       TYR  28  10.561 -11.253   5.814
  168    HE1  TYR  28          1HE       TYR  28   6.013 -13.039   5.241
  169    HE2  TYR  28          2HE       TYR  28   9.768 -13.073   7.266
  170    HH   TYR  28           HH       TYR  28   8.121 -14.501   7.695
  171    H    ALA  29           H        ALA  29   8.319  -7.785   2.118
  172    HA   ALA  29           HA       ALA  29  10.730  -6.546   1.287
  173    HB1  ALA  29          1HB       ALA  29   9.732  -6.480  -0.703
  174    HB2  ALA  29          2HB       ALA  29   8.382  -7.321   0.058
  175    HB3  ALA  29          3HB       ALA  29   8.363  -5.563  -0.073
  176    H    ALA  30           H        ALA  30   7.721  -5.311   2.672
  177    HA   ALA  30           HA       ALA  30   7.189  -3.323   3.644
  178    HB1  ALA  30          1HB       ALA  30   8.696  -2.749   5.168
  179    HB2  ALA  30          2HB       ALA  30   9.835  -3.846   4.389
  180    HB3  ALA  30          3HB       ALA  30   9.794  -2.145   3.926
  181    H    LYS  31           H        LYS  31   8.177  -3.618   0.661
  182    HA   LYS  31           HA       LYS  31   7.782  -0.783   0.058
  183    HB3  LYS  31          2HB       LYS  31  10.137  -2.450  -0.753
  184    HG3  LYS  31          2HG       LYS  31  10.531  -0.321  -2.301
  185    HD3  LYS  31          2HD       LYS  31   9.521  -1.747  -4.196
  186    HE3  LYS  31          2HE       LYS  31  11.564  -2.926  -2.314
  187    HZ1  LYS  31          1HZ       LYS  31  11.178  -4.646  -3.754
  188    HZ2  LYS  31          2HZ       LYS  31  12.362  -3.797  -4.612
  189    HZ3  LYS  31          3HZ       LYS  31  10.733  -3.639  -5.040
  190    H    CYS  32           H        CYS  32   6.614  -0.397  -1.773
  191    HA   CYS  32           HA       CYS  32   4.890  -2.312  -2.763
  192    HB3  CYS  32          2HB       CYS  32   5.316  -0.427  -4.843
  193    H    VAL  33           H        VAL  33   5.344  -4.121  -3.817
  194    HA   VAL  33           HA       VAL  33   7.497  -4.074  -5.831
  195    HB   VAL  33           HB       VAL  33   7.486  -6.629  -5.431
  196   HG11  VAL  33          1HG1      VAL  33   8.678  -5.745  -3.017
  197   HG12  VAL  33          2HG1      VAL  33   9.458  -6.103  -4.558
  198   HG13  VAL  33          3HG1      VAL  33   8.885  -4.470  -4.217
  199   HG21  VAL  33          1HG2      VAL  33   6.380  -7.509  -3.688
  200   HG22  VAL  33          2HG2      VAL  33   6.747  -6.141  -2.637
  201   HG23  VAL  33          3HG2      VAL  33   5.403  -6.043  -3.774
  202    H    SER  34           H        SER  34   7.016  -4.659  -7.863
  203    HA   SER  34           HA       SER  34   4.413  -4.748  -8.804
  204    HB3  SER  34          2HB       SER  34   7.054  -5.570  -9.951
  205    HG   SER  34           HG       SER  34   5.848  -5.960 -11.943
  Start of MODEL    6
    1    H1   SER   1           H        SER   1 -12.721  15.663 -11.544
    2    HA   SER   1           HA       SER   1 -10.875  14.146 -12.680
    3    HB3  SER   1          2HB       SER   1  -9.696  14.135 -10.296
    4    HG   SER   1           HG       SER   1  -9.584  16.592 -10.678
    5    H    GLN   2           H        GLN   2 -10.228  12.085 -12.804
    6    HA   GLN   2           HA       GLN   2 -11.761  10.077 -11.382
    7    HB3  GLN   2          2HB       GLN   2 -10.556   8.476 -12.838
    8    HG3  GLN   2          2HG       GLN   2 -11.380  10.653 -14.688
    9   HE21  GLN   2          1HE2      GLN   2 -12.676   7.525 -13.668
   10   HE22  GLN   2          2HE2      GLN   2 -12.488   6.749 -15.200
   11    H    GLU   3           H        GLU   3  -8.269  10.365 -12.053
   12    HA   GLU   3           HA       GLU   3  -7.722   9.750  -9.242
   13    HB3  GLU   3          2HB       GLU   3  -7.684   7.631 -10.592
   14    HG3  GLU   3          2HG       GLU   3  -5.026   8.305 -11.664
   15    H    GLN   4           H        GLN   4  -5.718  10.479  -8.480
   16    HA   GLN   4           HA       GLN   4  -3.737  11.639 -10.140
   17    HB3  GLN   4          2HB       GLN   4  -4.809  13.853  -8.568
   18    HG3  GLN   4          2HG       GLN   4  -3.081  14.055 -10.345
   19   HE21  GLN   4          1HE2      GLN   4  -6.179  14.375 -12.009
   20   HE22  GLN   4          2HE2      GLN   4  -5.711  13.505 -13.426
   21    H    ARG   5           H        ARG   5  -1.906  12.309  -8.980
   22    HA   ARG   5           HA       ARG   5  -0.419  12.303  -7.258
   23    HB3  ARG   5          2HB       ARG   5  -2.707  12.512  -5.321
   24    HG3  ARG   5          2HG       ARG   5   0.004  13.820  -5.403
   25    HD3  ARG   5          2HD       ARG   5  -1.450  13.864  -2.896
   26    HE   ARG   5           HE       ARG   5   0.109  15.535  -2.875
   27   HH11  ARG   5          1HH1      ARG   5  -1.728  15.735  -5.826
   28   HH12  ARG   5          2HH1      ARG   5  -1.021  17.238  -6.318
   29   HH21  ARG   5          1HH2      ARG   5   1.047  17.514  -3.512
   30   HH22  ARG   5          2HH2      ARG   5   0.558  18.249  -5.001
   31    H    GLN   6           H        GLN   6   0.478  10.333  -7.156
   32    HA   GLN   6           HA       GLN   6  -0.999   8.036  -6.231
   33    HB3  GLN   6          2HB       GLN   6   1.373   6.979  -6.455
   34    HG3  GLN   6          2HG       GLN   6  -0.543   6.819  -8.123
   35   HE21  GLN   6          1HE2      GLN   6  -1.661   8.642  -8.752
   36   HE22  GLN   6          2HE2      GLN   6  -1.138   9.656 -10.049
   37    H    CYS   7           H        CYS   7  -0.323   6.686  -4.455
   38    HA   CYS   7           HA       CYS   7   0.525   8.283  -2.170
   39    HB3  CYS   7          2HB       CYS   7  -0.440   6.630  -0.801
   40    H    LYS   8           H        LYS   8   1.337   5.129  -3.616
   41    HA   LYS   8           HA       LYS   8   4.139   5.548  -3.153
   42    HB3  LYS   8          2HB       LYS   8   4.145   3.232  -1.850
   43    HG3  LYS   8          2HG       LYS   8   4.554   5.846  -1.080
   44    HD3  LYS   8          2HD       LYS   8   2.114   5.061   0.073
   45    HE3  LYS   8          2HE       LYS   8   4.381   5.077   2.065
   46    HZ1  LYS   8          1HZ       LYS   8   2.621   6.267   3.043
   47    HZ2  LYS   8          2HZ       LYS   8   2.496   4.697   3.659
   48    HZ3  LYS   8          3HZ       LYS   8   1.446   5.211   2.438
   49    H    LYS   9           H        LYS   9   4.703   5.031  -5.184
   50    HA   LYS   9           HA       LYS   9   3.503   2.802  -6.573
   51    HB3  LYS   9          2HB       LYS   9   4.923   3.459  -8.441
   52    HG3  LYS   9          2HG       LYS   9   4.369   6.186  -7.705
   53    HD3  LYS   9          2HD       LYS   9   2.486   4.806  -9.461
   54    HE3  LYS   9          2HE       LYS   9   3.555   7.331  -9.198
   55    HZ1  LYS   9          1HZ       LYS   9   5.087   5.872 -11.148
   56    HZ2  LYS   9          2HZ       LYS   9   5.401   7.370 -10.427
   57    HZ3  LYS   9          3HZ       LYS   9   4.377   7.276 -11.770
   58    H    ILE  10           H        ILE  10   5.460   1.623  -7.974
   59    HA   ILE  10           HA       ILE  10   6.525  -0.260  -6.187
   60    HB   ILE  10           HB       ILE  10   7.462   0.309  -9.001
   61   HG13  ILE  10          2HG1      ILE  10   5.881  -1.499  -9.640
   62   HG21  ILE  10          1HG2      ILE  10   8.092  -1.759  -7.010
   63   HG22  ILE  10          2HG2      ILE  10   7.742  -2.355  -8.632
   64   HG23  ILE  10          3HG2      ILE  10   9.033  -1.178  -8.384
   65   HD11  ILE  10          1HD1      ILE  10   4.583  -2.636  -8.232
   66   HD12  ILE  10          2HD1      ILE  10   5.713  -2.104  -6.987
   67   HD13  ILE  10          3HD1      ILE  10   4.219  -1.209  -7.263
   68    H    GLY  11           H        GLY  11   8.205  -0.122  -4.862
   69    HA2  GLY  11          2HA       GLY  11  10.572   0.186  -4.545
   70    HA3  GLY  11          3HA       GLY  11  10.503   1.536  -5.669
   71    H    GLU  12           H        GLU  12   7.834   1.758  -3.744
   72    HA   GLU  12           HA       GLU  12   9.067   3.869  -2.164
   73    HB3  GLU  12          2HB       GLU  12   6.690   4.362  -1.506
   74    HG3  GLU  12          2HG       GLU  12   6.111   5.465  -3.444
   75    H    HIS  13           H        HIS  13   8.031   4.084   0.140
   76    HA   HIS  13           HA       HIS  13   8.514   1.520   1.489
   77    HB3  HIS  13          2HB       HIS  13   8.514   4.276   2.728
   78    HD1  HIS  13          1HD       HIS  13   7.652   3.383   4.983
   79    HD2  HIS  13          2HD       HIS  13  11.037   1.426   3.579
   80    HE1  HIS  13          1HE       HIS  13   8.497   2.024   6.923
   81    H    CYS  14           H        CYS  14   7.077   0.674   2.954
   82    HA   CYS  14           HA       CYS  14   4.786   2.076   3.897
   83    HB3  CYS  14          2HB       CYS  14   3.850   1.799   1.739
   84    H    TYR  15           H        TYR  15   3.705   0.958   5.513
   85    HA   TYR  15           HA       TYR  15   5.134  -1.351   6.546
   86    HB3  TYR  15          2HB       TYR  15   3.584  -1.017   8.525
   87    HD1  TYR  15          1HD       TYR  15   5.749  -1.003   9.570
   88    HD2  TYR  15          2HD       TYR  15   4.398   2.378   7.369
   89    HE1  TYR  15          1HE       TYR  15   7.576   0.340  10.524
   90    HE2  TYR  15          2HE       TYR  15   6.222   3.730   8.315
   91    HH   TYR  15           HH       TYR  15   7.697   3.378  10.753
   92    H    VAL  16           H        VAL  16   2.007  -0.539   5.195
   93    HA   VAL  16           HA       VAL  16   1.360  -3.405   5.119
   94    HB   VAL  16           HB       VAL  16  -1.068  -2.751   5.447
   95   HG11  VAL  16          1HG1      VAL  16   0.588  -2.175   7.883
   96   HG12  VAL  16          2HG1      VAL  16  -0.950  -3.032   7.767
   97   HG13  VAL  16          3HG1      VAL  16   0.528  -3.783   7.164
   98   HG21  VAL  16          1HG2      VAL  16  -1.683  -0.677   6.214
   99   HG22  VAL  16          2HG2      VAL  16  -0.087  -0.326   6.875
  100   HG23  VAL  16          3HG2      VAL  16  -0.358  -0.241   5.134
  101    H    ALA  17           H        ALA  17  -0.676  -3.687   3.630
  102    HA   ALA  17           HA       ALA  17   0.089  -2.801   1.044
  103    HB1  ALA  17          1HB       ALA  17  -0.915  -4.887   1.044
  104    HB2  ALA  17          2HB       ALA  17  -2.217  -4.375   2.118
  105    HB3  ALA  17          3HB       ALA  17  -2.200  -3.843   0.436
  106    H    ASP  18           H        ASP  18  -2.551  -1.916   3.233
  107    HA   ASP  18           HA       ASP  18  -3.987  -0.234   1.557
  108    HB3  ASP  18          2HB       ASP  18  -4.179   1.000   4.020
  109    H    GLU  19           H        GLU  19  -1.023   0.351   3.333
  110    HA   GLU  19           HA       GLU  19  -0.943   3.149   3.116
  111    HB3  GLU  19          2HB       GLU  19   1.658   2.610   3.149
  112    HG3  GLU  19          2HG       GLU  19   0.188   1.706   5.579
  113    H    CYS  20           H        CYS  20  -0.125   0.606   0.865
  114    HA   CYS  20           HA       CYS  20   1.066   2.483  -1.016
  115    HB3  CYS  20          2HB       CYS  20   0.710  -0.079  -2.195
  116    H    CYS  21           H        CYS  21  -0.009   3.425  -2.622
  117    HA   CYS  21           HA       CYS  21  -2.788   3.258  -2.892
  118    HB3  CYS  21          2HB       CYS  21  -1.709   4.168  -5.354
  119    H    SER  22           H        SER  22  -0.220   1.451  -4.392
  120    HA   SER  22           HA       SER  22  -1.935   0.309  -6.424
  121    HB3  SER  22          2HB       SER  22   0.865  -0.525  -5.635
  122    HG   SER  22           HG       SER  22  -0.427  -0.765  -8.141
  123    H    LYS  23           H        LYS  23  -1.168  -0.322  -3.175
  124    HA   LYS  23           HA       LYS  23  -1.782  -1.967  -1.729
  125    HB3  LYS  23          2HB       LYS  23  -3.673  -3.361  -2.270
  126    HG3  LYS  23          2HG       LYS  23  -4.920  -1.401  -3.800
  127    HD3  LYS  23          2HD       LYS  23  -5.561  -0.566  -1.413
  128    HE3  LYS  23          2HE       LYS  23  -6.148  -3.453  -2.000
  129    HZ1  LYS  23          1HZ       LYS  23  -8.211  -3.004  -1.046
  130    HZ2  LYS  23          2HZ       LYS  23  -8.026  -1.327  -1.164
  131    HZ3  LYS  23          3HZ       LYS  23  -7.121  -2.201  -0.032
  132    H    ARG  24           H        ARG  24   0.620  -2.328  -2.953
  133    HA   ARG  24           HA       ARG  24   0.718  -5.252  -3.267
  134    HB3  ARG  24          2HB       ARG  24   2.888  -4.384  -4.708
  135    HG3  ARG  24          2HG       ARG  24   1.641  -4.946  -6.730
  136    HD3  ARG  24          2HD       ARG  24   0.632  -6.895  -4.719
  137    HE   ARG  24           HE       ARG  24   2.325  -7.745  -6.880
  138   HH11  ARG  24          1HH1      ARG  24  -0.921  -6.909  -5.941
  139   HH12  ARG  24          2HH1      ARG  24  -1.663  -7.829  -7.208
  140   HH21  ARG  24          1HH2      ARG  24   1.360  -8.960  -8.552
  141   HH22  ARG  24          2HH2      ARG  24  -0.365  -8.996  -8.691
  142    H    CYS  25           H        CYS  25   1.112  -3.625  -0.907
  143    HA   CYS  25           HA       CYS  25   3.981  -3.604  -0.452
  144    HB3  CYS  25          2HB       CYS  25   1.934  -3.092   1.680
  145    H    LEU  26           H        LEU  26   5.023  -4.809   1.185
  146    HA   LEU  26           HA       LEU  26   3.538  -7.136   2.193
  147    HB3  LEU  26          2HB       LEU  26   6.352  -7.279   1.131
  148    HG   LEU  26           HG       LEU  26   5.451  -9.104   2.738
  149   HD11  LEU  26          1HD1      LEU  26   3.285  -9.203   1.337
  150   HD12  LEU  26          2HD1      LEU  26   4.006 -10.710   1.899
  151   HD13  LEU  26          3HD1      LEU  26   4.236 -10.193   0.230
  152   HD21  LEU  26          1HD2      LEU  26   6.403 -10.277   0.180
  153   HD22  LEU  26          2HD2      LEU  26   6.962 -10.552   1.830
  154   HD23  LEU  26          3HD2      LEU  26   7.424  -9.080   0.976
  155    H    PHE  27           H        PHE  27   4.327  -8.037   4.140
  156    HA   PHE  27           HA       PHE  27   5.353  -6.142   5.974
  157    HB3  PHE  27          2HB       PHE  27   5.564  -8.282   7.450
  158    HD1  PHE  27          1HD       PHE  27   2.665  -7.488   5.230
  159    HD2  PHE  27          2HD       PHE  27   4.193  -7.743   9.195
  160    HE1  PHE  27          1HE       PHE  27   0.498  -6.723   6.110
  161    HE2  PHE  27          2HE       PHE  27   2.027  -6.981  10.082
  162    HZ   PHE  27           HZ       PHE  27   0.176  -6.471   8.538
  163    H    TYR  28           H        TYR  28   6.820  -8.636   4.036
  164    HA   TYR  28           HA       TYR  28   9.348  -8.492   5.450
  165    HB3  TYR  28          2HB       TYR  28  10.109 -10.103   3.696
  166    HD1  TYR  28          1HD       TYR  28  10.402 -11.188   5.886
  167    HD2  TYR  28          2HD       TYR  28   6.624 -11.123   3.933
  168    HE1  TYR  28          1HE       TYR  28   9.609 -12.977   7.376
  169    HE2  TYR  28          2HE       TYR  28   5.818 -12.910   5.418
  170    HH   TYR  28           HH       TYR  28   7.939 -14.655   7.511
  171    H    ALA  29           H        ALA  29   8.149  -7.733   2.184
  172    HA   ALA  29           HA       ALA  29  10.565  -6.541   1.301
  173    HB1  ALA  29          1HB       ALA  29   8.164  -5.559  -0.020
  174    HB2  ALA  29          2HB       ALA  29   9.536  -6.452  -0.677
  175    HB3  ALA  29          3HB       ALA  29   8.214  -7.318   0.105
  176    H    ALA  30           H        ALA  30   7.594  -5.245   2.714
  177    HA   ALA  30           HA       ALA  30   7.106  -3.236   3.667
  178    HB1  ALA  30          1HB       ALA  30   9.756  -3.788   4.376
  179    HB2  ALA  30          2HB       ALA  30   9.731  -2.092   3.893
  180    HB3  ALA  30          3HB       ALA  30   8.645  -2.663   5.160
  181    H    LYS  31           H        LYS  31   8.043  -3.586   0.672
  182    HA   LYS  31           HA       LYS  31   7.678  -0.753   0.038
  183    HB3  LYS  31          2HB       LYS  31   9.997  -2.466  -0.787
  184    HG3  LYS  31          2HG       LYS  31  10.396  -0.364  -2.370
  185    HD3  LYS  31          2HD       LYS  31   9.331  -1.803  -4.228
  186    HE3  LYS  31          2HE       LYS  31  11.280  -3.277  -2.483
  187    HZ1  LYS  31          1HZ       LYS  31  12.284  -3.481  -4.847
  188    HZ2  LYS  31          2HZ       LYS  31  10.716  -3.113  -5.362
  189    HZ3  LYS  31          3HZ       LYS  31  10.992  -4.476  -4.400
  190    H    CYS  32           H        CYS  32   6.486  -0.376  -1.778
  191    HA   CYS  32           HA       CYS  32   4.719  -2.277  -2.714
  192    HB3  CYS  32          2HB       CYS  32   5.139  -0.428  -4.828
  193    H    VAL  33           H        VAL  33   5.133  -4.108  -3.748
  194    HA   VAL  33           HA       VAL  33   7.254  -4.121  -5.797
  195    HB   VAL  33           HB       VAL  33   7.209  -6.669  -5.362
  196   HG11  VAL  33          1HG1      VAL  33   8.662  -4.517  -4.204
  197   HG12  VAL  33          2HG1      VAL  33   8.457  -5.772  -2.981
  198   HG13  VAL  33          3HG1      VAL  33   9.204  -6.163  -4.531
  199   HG21  VAL  33          1HG2      VAL  33   5.163  -6.030  -3.683
  200   HG22  VAL  33          2HG2      VAL  33   6.121  -7.508  -3.585
  201   HG23  VAL  33          3HG2      VAL  33   6.522  -6.127  -2.564
  202    H    SER  34           H        SER  34   6.732  -4.724  -7.813
  203    HA   SER  34           HA       SER  34   4.113  -4.789  -8.710
  204    HB3  SER  34          2HB       SER  34   6.431  -6.162 -10.084
  205    HG   SER  34           HG       SER  34   4.501  -6.437 -11.172
  Start of MODEL    7
    1    H1   SER   1           H        SER   1  -6.628  21.215 -12.346
    2    HA   SER   1           HA       SER   1  -4.466  20.561 -14.231
    3    HB3  SER   1          2HB       SER   1  -4.148  22.079 -11.629
    4    HG   SER   1           HG       SER   1  -1.967  22.207 -12.296
    5    H    GLN   2           H        GLN   2  -2.941  19.004 -13.475
    6    HA   GLN   2           HA       GLN   2  -3.927  17.375 -11.226
    7    HB3  GLN   2          2HB       GLN   2  -2.890  15.427 -12.534
    8    HG3  GLN   2          2HG       GLN   2  -4.838  15.321 -14.178
    9   HE21  GLN   2          1HE2      GLN   2  -6.456  16.787 -11.587
   10   HE22  GLN   2          2HE2      GLN   2  -6.750  15.365 -10.650
   11    H    GLU   3           H        GLU   3  -2.491  16.840  -9.691
   12    HA   GLU   3           HA       GLU   3   0.349  16.813 -10.230
   13    HB3  GLU   3          2HB       GLU   3   0.221  19.127  -9.802
   14    HG3  GLU   3          2HG       GLU   3  -1.880  18.394  -7.874
   15    H    GLN   4           H        GLN   4  -1.042  14.655  -9.595
   16    HA   GLN   4           HA       GLN   4  -0.551  14.231  -6.721
   17    HB3  GLN   4          2HB       GLN   4  -2.191  12.157  -7.744
   18    HG3  GLN   4          2HG       GLN   4  -2.890  14.513  -6.008
   19   HE21  GLN   4          1HE2      GLN   4  -4.847  14.486  -5.018
   20   HE22  GLN   4          2HE2      GLN   4  -6.110  13.375  -5.412
   21    H    ARG   5           H        ARG   5   1.172  13.030  -6.313
   22    HA   ARG   5           HA       ARG   5   2.203  11.244  -8.386
   23    HB3  ARG   5          2HB       ARG   5   3.616  11.722  -5.797
   24    HG3  ARG   5          2HG       ARG   5   4.698  11.679  -8.600
   25    HD3  ARG   5          2HD       ARG   5   6.436  10.747  -6.514
   26    HE   ARG   5           HE       ARG   5   7.106  13.211  -7.806
   27   HH11  ARG   5          1HH1      ARG   5   6.803   9.772  -8.253
   28   HH12  ARG   5          2HH1      ARG   5   7.941   9.710  -9.558
   29   HH21  ARG   5          1HH2      ARG   5   8.607  13.143  -9.523
   30   HH22  ARG   5          2HH2      ARG   5   8.968  11.627 -10.278
   31    H    GLN   6           H        GLN   6  -0.154  10.434  -7.046
   32    HA   GLN   6           HA       GLN   6  -1.081   8.670  -5.943
   33    HB3  GLN   6          2HB       GLN   6   1.272   6.937  -6.083
   34    HG3  GLN   6          2HG       GLN   6  -1.139   6.603  -7.790
   35   HE21  GLN   6          1HE2      GLN   6  -1.264   4.588  -8.540
   36   HE22  GLN   6          2HE2      GLN   6  -0.235   3.283  -8.067
   37    H    CYS   7           H        CYS   7  -0.276   6.759  -4.256
   38    HA   CYS   7           HA       CYS   7   0.618   8.301  -1.952
   39    HB3  CYS   7          2HB       CYS   7  -0.348   6.633  -0.603
   40    H    LYS   8           H        LYS   8   1.376   5.167  -3.468
   41    HA   LYS   8           HA       LYS   8   4.187   5.543  -3.032
   42    HB3  LYS   8          2HB       LYS   8   4.180   3.203  -1.774
   43    HG3  LYS   8          2HG       LYS   8   4.632   5.796  -0.960
   44    HD3  LYS   8          2HD       LYS   8   2.198   5.018   0.211
   45    HE3  LYS   8          2HE       LYS   8   4.490   4.973   2.172
   46    HZ1  LYS   8          1HZ       LYS   8   2.870   4.878   3.875
   47    HZ2  LYS   8          2HZ       LYS   8   1.592   4.787   2.770
   48    HZ3  LYS   8          3HZ       LYS   8   2.480   6.220   2.922
   49    H    LYS   9           H        LYS   9   4.717   5.060  -5.080
   50    HA   LYS   9           HA       LYS   9   3.475   2.872  -6.495
   51    HB3  LYS   9          2HB       LYS   9   4.878   3.547  -8.369
   52    HG3  LYS   9          2HG       LYS   9   4.363   6.266  -7.580
   53    HD3  LYS   9          2HD       LYS   9   2.581   4.684  -9.369
   54    HE3  LYS   9          2HE       LYS   9   3.994   7.260  -9.957
   55    HZ1  LYS   9          1HZ       LYS   9   2.102   5.711 -11.275
   56    HZ2  LYS   9          2HZ       LYS   9   2.675   7.240 -11.718
   57    HZ3  LYS   9          3HZ       LYS   9   1.296   7.102 -10.749
   58    H    ILE  10           H        ILE  10   5.392   1.690  -7.941
   59    HA   ILE  10           HA       ILE  10   6.462  -0.235  -6.205
   60    HB   ILE  10           HB       ILE  10   7.369   0.375  -9.021
   61   HG13  ILE  10          2HG1      ILE  10   5.755  -1.400  -9.672
   62   HG21  ILE  10          1HG2      ILE  10   8.929  -1.143  -8.448
   63   HG22  ILE  10          2HG2      ILE  10   7.995  -1.741  -7.077
   64   HG23  ILE  10          3HG2      ILE  10   7.622  -2.298  -8.707
   65   HD11  ILE  10          1HD1      ILE  10   4.125  -1.136  -7.273
   66   HD12  ILE  10          2HD1      ILE  10   4.470  -2.552  -8.268
   67   HD13  ILE  10          3HD1      ILE  10   5.615  -2.047  -7.025
   68    H    GLY  11           H        GLY  11   8.159  -0.137  -4.899
   69    HA2  GLY  11          2HA       GLY  11  10.535   0.137  -4.610
   70    HA3  GLY  11          3HA       GLY  11  10.466   1.507  -5.708
   71    H    GLU  12           H        GLU  12   7.826   1.721  -3.739
   72    HA   GLU  12           HA       GLU  12   9.105   3.788  -2.138
   73    HB3  GLU  12          2HB       GLU  12   6.742   4.297  -1.440
   74    HG3  GLU  12          2HG       GLU  12   6.155   5.448  -3.348
   75    H    HIS  13           H        HIS  13   8.109   3.973   0.182
   76    HA   HIS  13           HA       HIS  13   8.573   1.379   1.478
   77    HB3  HIS  13          2HB       HIS  13   8.620   4.110   2.769
   78    HD1  HIS  13          1HD       HIS  13   7.783   3.187   5.019
   79    HD2  HIS  13          2HD       HIS  13  11.120   1.213   3.527
   80    HE1  HIS  13          1HE       HIS  13   8.639   1.779   6.920
   81    H    CYS  14           H        CYS  14   7.145   0.524   2.945
   82    HA   CYS  14           HA       CYS  14   4.882   1.934   3.941
   83    HB3  CYS  14          2HB       CYS  14   3.916   1.707   1.792
   84    H    TYR  15           H        TYR  15   3.812   0.801   5.552
   85    HA   TYR  15           HA       TYR  15   5.225  -1.542   6.526
   86    HB3  TYR  15          2HB       TYR  15   3.967  -1.212   8.585
   87    HD1  TYR  15          1HD       TYR  15   6.441  -0.710   8.858
   88    HD2  TYR  15          2HD       TYR  15   3.600   2.254   7.743
   89    HE1  TYR  15          1HE       TYR  15   8.018   1.049   9.540
   90    HE2  TYR  15          2HE       TYR  15   5.170   4.022   8.422
   91    HH   TYR  15           HH       TYR  15   8.216   3.766   8.708
   92    H    VAL  16           H        VAL  16   2.090  -0.672   5.230
   93    HA   VAL  16           HA       VAL  16   1.411  -3.529   5.109
   94    HB   VAL  16           HB       VAL  16  -0.998  -2.879   5.496
   95   HG11  VAL  16          1HG1      VAL  16   0.087  -2.189   8.064
   96   HG12  VAL  16          2HG1      VAL  16  -0.668  -3.694   7.537
   97   HG13  VAL  16          3HG1      VAL  16   1.064  -3.447   7.307
   98   HG21  VAL  16          1HG2      VAL  16  -1.623  -0.802   6.195
   99   HG22  VAL  16          2HG2      VAL  16  -0.062  -0.460   6.940
  100   HG23  VAL  16          3HG2      VAL  16  -0.245  -0.353   5.189
  101    H    ALA  17           H        ALA  17  -0.651  -3.757   3.644
  102    HA   ALA  17           HA       ALA  17   0.091  -2.833   1.065
  103    HB1  ALA  17          1HB       ALA  17  -2.212  -3.837   0.462
  104    HB2  ALA  17          2HB       ALA  17  -0.941  -4.910   1.049
  105    HB3  ALA  17          3HB       ALA  17  -2.228  -4.392   2.136
  106    H    ASP  18           H        ASP  18  -2.509  -1.958   3.305
  107    HA   ASP  18           HA       ASP  18  -3.947  -0.227   1.680
  108    HB3  ASP  18          2HB       ASP  18  -3.941   0.909   4.267
  109    H    GLU  19           H        GLU  19  -0.951   0.290   3.424
  110    HA   GLU  19           HA       GLU  19  -0.840   3.090   3.258
  111    HB3  GLU  19          2HB       GLU  19   1.725   2.608   3.320
  112    HG3  GLU  19          2HG       GLU  19   1.090   1.360   5.714
  113    H    CYS  20           H        CYS  20  -0.082   0.578   0.950
  114    HA   CYS  20           HA       CYS  20   1.105   2.475  -0.913
  115    HB3  CYS  20          2HB       CYS  20   0.702  -0.059  -2.134
  116    H    CYS  21           H        CYS  21   0.021   3.460  -2.487
  117    HA   CYS  21           HA       CYS  21  -2.764   3.333  -2.722
  118    HB3  CYS  21          2HB       CYS  21  -1.706   4.271  -5.182
  119    H    SER  22           H        SER  22  -0.239   1.520  -4.288
  120    HA   SER  22           HA       SER  22  -1.996   0.436  -6.315
  121    HB3  SER  22          2HB       SER  22   0.837  -0.326  -5.563
  122    HG   SER  22           HG       SER  22   0.219  -1.964  -6.793
  123    H    LYS  23           H        LYS  23  -1.190  -0.263  -3.090
  124    HA   LYS  23           HA       LYS  23  -1.804  -1.926  -1.664
  125    HB3  LYS  23          2HB       LYS  23  -3.718  -3.289  -2.203
  126    HG3  LYS  23          2HG       LYS  23  -4.961  -1.284  -3.682
  127    HD3  LYS  23          2HD       LYS  23  -4.653  -1.384  -0.685
  128    HE3  LYS  23          2HE       LYS  23  -6.135   0.288  -2.375
  129    HZ1  LYS  23          1HZ       LYS  23  -8.382  -0.451  -1.185
  130    HZ2  LYS  23          2HZ       LYS  23  -7.700  -1.978  -1.437
  131    HZ3  LYS  23          3HZ       LYS  23  -7.969  -0.944  -2.749
  132    H    ARG  24           H        ARG  24   0.576  -2.291  -2.939
  133    HA   ARG  24           HA       ARG  24   0.635  -5.210  -3.304
  134    HB3  ARG  24          2HB       ARG  24   2.797  -4.342  -4.757
  135    HG3  ARG  24          2HG       ARG  24   1.515  -4.848  -6.773
  136    HD3  ARG  24          2HD       ARG  24   0.370  -6.910  -5.073
  137    HE   ARG  24           HE       ARG  24   1.915  -6.808  -7.436
  138   HH11  ARG  24          1HH1      ARG  24   1.317  -8.810  -4.652
  139   HH12  ARG  24          2HH1      ARG  24   1.718 -10.286  -5.464
  140   HH21  ARG  24          1HH2      ARG  24   2.446  -8.745  -8.517
  141   HH22  ARG  24          2HH2      ARG  24   2.361 -10.248  -7.663
  142    H    CYS  25           H        CYS  25   1.079  -3.633  -0.919
  143    HA   CYS  25           HA       CYS  25   3.953  -3.655  -0.501
  144    HB3  CYS  25          2HB       CYS  25   1.939  -3.159   1.668
  145    H    LEU  26           H        LEU  26   5.001  -4.903   1.100
  146    HA   LEU  26           HA       LEU  26   3.500  -7.231   2.083
  147    HB3  LEU  26          2HB       LEU  26   6.298  -7.387   0.983
  148    HG   LEU  26           HG       LEU  26   5.394  -9.232   2.566
  149   HD11  LEU  26          1HD1      LEU  26   3.210  -9.278   1.190
  150   HD12  LEU  26          2HD1      LEU  26   3.919 -10.804   1.716
  151   HD13  LEU  26          3HD1      LEU  26   4.137 -10.259   0.053
  152   HD21  LEU  26          1HD2      LEU  26   6.301 -10.368  -0.024
  153   HD22  LEU  26          2HD2      LEU  26   6.876 -10.680   1.614
  154   HD23  LEU  26          3HD2      LEU  26   7.346  -9.197   0.782
  155    H    PHE  27           H        PHE  27   4.303  -8.178   4.002
  156    HA   PHE  27           HA       PHE  27   5.374  -6.330   5.860
  157    HB3  PHE  27          2HB       PHE  27   5.581  -8.506   7.287
  158    HD1  PHE  27          1HD       PHE  27   4.254  -7.967   9.066
  159    HD2  PHE  27          2HD       PHE  27   2.652  -7.636   5.137
  160    HE1  PHE  27          1HE       PHE  27   2.118  -7.190  10.007
  161    HE2  PHE  27          2HE       PHE  27   0.512  -6.858   6.072
  162    HZ   PHE  27           HZ       PHE  27   0.244  -6.633   8.509
  163    H    TYR  28           H        TYR  28   6.786  -8.804   3.855
  164    HA   TYR  28           HA       TYR  28   9.333  -8.716   5.239
  165    HB3  TYR  28          2HB       TYR  28  10.053 -10.304   3.446
  166    HD1  TYR  28          1HD       TYR  28  10.361 -11.430   5.614
  167    HD2  TYR  28          2HD       TYR  28   6.560 -11.289   3.706
  168    HE1  TYR  28          1HE       TYR  28   9.564 -13.237   7.080
  169    HE2  TYR  28          2HE       TYR  28   5.754 -13.095   5.167
  170    HH   TYR  28           HH       TYR  28   6.886 -13.918   7.873
  171    H    ALA  29           H        ALA  29   8.103  -7.883   2.004
  172    HA   ALA  29           HA       ALA  29  10.522  -6.702   1.112
  173    HB1  ALA  29          1HB       ALA  29   9.462  -6.442  -0.853
  174    HB2  ALA  29          2HB       ALA  29   8.242  -7.484  -0.117
  175    HB3  ALA  29          3HB       ALA  29   8.030  -5.732  -0.108
  176    H    ALA  30           H        ALA  30   7.585  -5.399   2.588
  177    HA   ALA  30           HA       ALA  30   7.133  -3.403   3.585
  178    HB1  ALA  30          1HB       ALA  30   9.789  -3.998   4.246
  179    HB2  ALA  30          2HB       ALA  30   9.771  -2.290   3.800
  180    HB3  ALA  30          3HB       ALA  30   8.699  -2.882   5.069
  181    H    LYS  31           H        LYS  31   8.028  -3.706   0.573
  182    HA   LYS  31           HA       LYS  31   7.688  -0.858  -0.004
  183    HB3  LYS  31          2HB       LYS  31   9.975  -2.580  -0.892
  184    HG3  LYS  31          2HG       LYS  31  10.380  -0.453  -2.439
  185    HD3  LYS  31          2HD       LYS  31   9.276  -1.842  -4.310
  186    HE3  LYS  31          2HE       LYS  31  11.644  -2.231  -2.765
  187    HZ1  LYS  31          1HZ       LYS  31  10.392  -4.467  -2.453
  188    HZ2  LYS  31          2HZ       LYS  31  12.032  -4.473  -2.867
  189    HZ3  LYS  31          3HZ       LYS  31  10.859  -4.752  -4.053
  190    H    CYS  32           H        CYS  32   6.478  -0.431  -1.798
  191    HA   CYS  32           HA       CYS  32   4.678  -2.295  -2.747
  192    HB3  CYS  32          2HB       CYS  32   5.092  -0.411  -4.830
  193    H    VAL  33           H        VAL  33   5.055  -4.111  -3.820
  194    HA   VAL  33           HA       VAL  33   7.150  -4.108  -5.897
  195    HB   VAL  33           HB       VAL  33   7.085  -6.664  -5.509
  196   HG11  VAL  33          1HG1      VAL  33   8.574  -4.548  -4.329
  197   HG12  VAL  33          2HG1      VAL  33   8.368  -5.823  -3.126
  198   HG13  VAL  33          3HG1      VAL  33   9.093  -6.194  -4.690
  199   HG21  VAL  33          1HG2      VAL  33   5.066  -6.033  -3.792
  200   HG22  VAL  33          2HG2      VAL  33   6.005  -7.525  -3.739
  201   HG23  VAL  33          3HG2      VAL  33   6.439  -6.173  -2.693
  202    H    SER  34           H        SER  34   6.594  -4.669  -7.917
  203    HA   SER  34           HA       SER  34   3.965  -4.686  -8.782
  204    HB3  SER  34          2HB       SER  34   6.493  -5.734 -10.050
  205    HG   SER  34           HG       SER  34   5.313  -6.650 -11.512
  Start of MODEL    8
    1    H1   SER   1           H        SER   1  -5.437  20.129 -16.759
    2    HA   SER   1           HA       SER   1  -8.122  19.642 -17.763
    3    HB3  SER   1          2HB       SER   1  -6.447  17.772 -18.945
    4    HG   SER   1           HG       SER   1  -7.275  18.811 -20.559
    5    H    GLN   2           H        GLN   2  -5.495  17.694 -16.342
    6    HA   GLN   2           HA       GLN   2  -7.490  16.069 -14.970
    7    HB3  GLN   2          2HB       GLN   2  -5.845  14.081 -15.748
    8    HG3  GLN   2          2HG       GLN   2  -8.040  14.981 -17.583
    9   HE21  GLN   2          1HE2      GLN   2  -8.380  12.104 -15.858
   10   HE22  GLN   2          2HE2      GLN   2  -7.892  11.009 -17.101
   11    H    GLU   3           H        GLU   3  -6.297  14.396 -13.531
   12    HA   GLU   3           HA       GLU   3  -3.703  15.332 -12.600
   13    HB3  GLU   3          2HB       GLU   3  -5.370  16.686 -11.361
   14    HG3  GLU   3          2HG       GLU   3  -6.174  14.327  -9.761
   15    H    GLN   4           H        GLN   4  -2.620  13.833 -11.238
   16    HA   GLN   4           HA       GLN   4  -3.881  11.229 -10.852
   17    HB3  GLN   4          2HB       GLN   4  -1.256  10.678 -11.750
   18    HG3  GLN   4          2HG       GLN   4  -3.602  10.293 -13.539
   19   HE21  GLN   4          1HE2      GLN   4  -3.342   7.433 -13.040
   20   HE22  GLN   4          2HE2      GLN   4  -1.888   6.938 -13.829
   21    H    ARG   5           H        ARG   5  -3.779  11.379  -8.654
   22    HA   ARG   5           HA       ARG   5  -1.281  12.106  -7.360
   23    HB3  ARG   5          2HB       ARG   5  -3.797  11.170  -5.993
   24    HG3  ARG   5          2HG       ARG   5  -1.424  12.784  -5.168
   25    HD3  ARG   5          2HD       ARG   5  -2.921  13.164  -3.051
   26    HE   ARG   5           HE       ARG   5  -3.710  15.140  -4.929
   27   HH11  ARG   5          1HH1      ARG   5  -0.920  13.773  -3.357
   28   HH12  ARG   5          2HH1      ARG   5   0.022  15.222  -3.481
   29   HH21  ARG   5          1HH2      ARG   5  -2.479  17.053  -5.100
   30   HH22  ARG   5          2HH2      ARG   5  -0.866  17.087  -4.472
   31    H    GLN   6           H        GLN   6   0.060  10.737  -6.288
   32    HA   GLN   6           HA       GLN   6  -0.661   7.881  -6.275
   33    HB3  GLN   6          2HB       GLN   6   1.030   8.506  -8.035
   34    HG3  GLN   6          2HG       GLN   6   3.195   8.557  -6.062
   35   HE21  GLN   6          1HE2      GLN   6   3.750  11.314  -7.065
   36   HE22  GLN   6          2HE2      GLN   6   4.348  11.088  -8.669
   37    H    CYS   7           H        CYS   7  -0.185   6.728  -4.462
   38    HA   CYS   7           HA       CYS   7   0.608   8.278  -2.126
   39    HB3  CYS   7          2HB       CYS   7  -0.367   6.586  -0.813
   40    H    LYS   8           H        LYS   8   1.472   5.165  -3.632
   41    HA   LYS   8           HA       LYS   8   4.262   5.594  -3.110
   42    HB3  LYS   8          2HB       LYS   8   4.262   3.248  -1.860
   43    HG3  LYS   8          2HG       LYS   8   4.642   5.847  -1.025
   44    HD3  LYS   8          2HD       LYS   8   2.190   5.020   0.072
   45    HE3  LYS   8          2HE       LYS   8   4.424   5.006   2.100
   46    HZ1  LYS   8          1HZ       LYS   8   1.487   4.879   2.529
   47    HZ2  LYS   8          2HZ       LYS   8   2.471   6.206   2.895
   48    HZ3  LYS   8          3HZ       LYS   8   2.674   4.748   3.728
   49    H    LYS   9           H        LYS   9   4.865   5.128  -5.142
   50    HA   LYS   9           HA       LYS   9   3.707   2.924  -6.601
   51    HB3  LYS   9          2HB       LYS   9   5.148   3.633  -8.430
   52    HG3  LYS   9          2HG       LYS   9   4.574   6.339  -7.628
   53    HD3  LYS   9          2HD       LYS   9   3.844   4.414  -9.751
   54    HE3  LYS   9          2HE       LYS   9   2.147   6.795  -9.024
   55    HZ1  LYS   9          1HZ       LYS   9   1.016   6.453 -11.100
   56    HZ2  LYS   9          2HZ       LYS   9   2.051   5.182 -11.514
   57    HZ3  LYS   9          3HZ       LYS   9   2.650   6.760 -11.412
   58    H    ILE  10           H        ILE  10   5.703   1.795  -7.995
   59    HA   ILE  10           HA       ILE  10   6.745  -0.125  -6.232
   60    HB   ILE  10           HB       ILE  10   7.730   0.516  -9.014
   61   HG13  ILE  10          2HG1      ILE  10   6.173  -1.286  -9.724
   62   HG21  ILE  10          1HG2      ILE  10   8.023  -2.153  -8.704
   63   HG22  ILE  10          2HG2      ILE  10   9.299  -0.975  -8.403
   64   HG23  ILE  10          3HG2      ILE  10   8.337  -1.594  -7.061
   65   HD11  ILE  10          1HD1      ILE  10   4.861  -2.467  -8.367
   66   HD12  ILE  10          2HD1      ILE  10   5.961  -1.951  -7.088
   67   HD13  ILE  10          3HD1      ILE  10   4.465  -1.064  -7.375
   68    H    GLY  11           H        GLY  11   8.406  -0.013  -4.880
   69    HA2  GLY  11          2HA       GLY  11  10.763   0.307  -4.510
   70    HA3  GLY  11          3HA       GLY  11  10.704   1.681  -5.604
   71    H    GLU  12           H        GLU  12   7.999   1.845  -3.725
   72    HA   GLU  12           HA       GLU  12   9.187   3.926  -2.076
   73    HB3  GLU  12          2HB       GLU  12   6.796   4.385  -1.446
   74    HG3  GLU  12          2HG       GLU  12   6.239   5.525  -3.369
   75    H    HIS  13           H        HIS  13   8.108   4.079   0.214
   76    HA   HIS  13           HA       HIS  13   8.590   1.489   1.514
   77    HB3  HIS  13          2HB       HIS  13   8.551   4.216   2.814
   78    HD1  HIS  13          1HD       HIS  13   7.658   3.264   5.034
   79    HD2  HIS  13          2HD       HIS  13  11.082   1.366   3.641
   80    HE1  HIS  13          1HE       HIS  13   8.481   1.867   6.956
   81    H    CYS  14           H        CYS  14   7.135   0.601   2.933
   82    HA   CYS  14           HA       CYS  14   4.819   1.964   3.872
   83    HB3  CYS  14          2HB       CYS  14   3.921   1.731   1.693
   84    H    TYR  15           H        TYR  15   3.720   0.800   5.442
   85    HA   TYR  15           HA       TYR  15   5.148  -1.521   6.446
   86    HB3  TYR  15          2HB       TYR  15   3.694  -1.242   8.442
   87    HD1  TYR  15          1HD       TYR  15   3.809   2.265   7.585
   88    HD2  TYR  15          2HD       TYR  15   6.108  -1.000   9.053
   89    HE1  TYR  15          1HE       TYR  15   5.483   3.843   8.456
   90    HE2  TYR  15          2HE       TYR  15   7.787   0.569   9.929
   91    HH   TYR  15           HH       TYR  15   7.411   4.080   9.521
   92    H    VAL  16           H        VAL  16   2.040  -0.701   5.059
   93    HA   VAL  16           HA       VAL  16   1.415  -3.568   4.908
   94    HB   VAL  16           HB       VAL  16  -1.019  -2.955   5.219
   95   HG11  VAL  16          1HG1      VAL  16   0.897  -2.614   7.520
   96   HG12  VAL  16          2HG1      VAL  16  -0.838  -2.875   7.697
   97   HG13  VAL  16          3HG1      VAL  16   0.171  -4.116   6.953
   98   HG21  VAL  16          1HG2      VAL  16  -1.691  -0.891   5.880
   99   HG22  VAL  16          2HG2      VAL  16  -0.192  -0.557   6.748
  100   HG23  VAL  16          3HG2      VAL  16  -0.247  -0.406   4.991
  101    H    ALA  17           H        ALA  17  -0.594  -3.829   3.378
  102    HA   ALA  17           HA       ALA  17   0.206  -2.877   0.827
  103    HB1  ALA  17          1HB       ALA  17  -2.116  -4.482   1.822
  104    HB2  ALA  17          2HB       ALA  17  -2.057  -3.923   0.150
  105    HB3  ALA  17          3HB       ALA  17  -0.786  -4.974   0.774
  106    H    ASP  18           H        ASP  18  -2.475  -2.061   2.993
  107    HA   ASP  18           HA       ASP  18  -3.896  -0.350   1.333
  108    HB3  ASP  18          2HB       ASP  18  -3.498   0.053   4.302
  109    H    GLU  19           H        GLU  19  -0.964   0.215   3.170
  110    HA   GLU  19           HA       GLU  19  -0.899   3.017   3.017
  111    HB3  GLU  19          2HB       GLU  19   1.762   2.110   2.889
  112    HG3  GLU  19          2HG       GLU  19   0.370   3.708   4.535
  113    H    CYS  20           H        CYS  20  -0.027   0.530   0.723
  114    HA   CYS  20           HA       CYS  20   1.178   2.457  -1.096
  115    HB3  CYS  20          2HB       CYS  20   0.863  -0.080  -2.339
  116    H    CYS  21           H        CYS  21   0.124   3.426  -2.700
  117    HA   CYS  21           HA       CYS  21  -2.650   3.245  -3.019
  118    HB3  CYS  21          2HB       CYS  21  -1.540   4.214  -5.444
  119    H    SER  22           H        SER  22  -0.046   1.486  -4.514
  120    HA   SER  22           HA       SER  22  -1.720   0.376  -6.596
  121    HB3  SER  22          2HB       SER  22   1.057  -0.513  -5.798
  122    HG   SER  22           HG       SER  22   0.242  -0.482  -8.431
  123    H    LYS  23           H        LYS  23  -0.996  -0.318  -3.350
  124    HA   LYS  23           HA       LYS  23  -1.619  -1.998  -1.949
  125    HB3  LYS  23          2HB       LYS  23  -3.489  -3.397  -2.549
  126    HG3  LYS  23          2HG       LYS  23  -4.728  -1.414  -4.060
  127    HD3  LYS  23          2HD       LYS  23  -4.505  -1.519  -1.055
  128    HE3  LYS  23          2HE       LYS  23  -6.732  -0.661  -2.901
  129    HZ1  LYS  23          1HZ       LYS  23  -7.863  -0.005  -0.895
  130    HZ2  LYS  23          2HZ       LYS  23  -6.584  -0.560   0.064
  131    HZ3  LYS  23          3HZ       LYS  23  -7.516  -1.660  -0.823
  132    H    ARG  24           H        ARG  24   0.804  -2.308  -3.162
  133    HA   ARG  24           HA       ARG  24   0.933  -5.225  -3.533
  134    HB3  ARG  24          2HB       ARG  24   3.123  -4.293  -4.910
  135    HG3  ARG  24          2HG       ARG  24   1.921  -4.835  -6.968
  136    HD3  ARG  24          2HD       ARG  24   2.562  -6.553  -4.972
  137    HE   ARG  24           HE       ARG  24  -0.102  -6.538  -4.620
  138   HH11  ARG  24          1HH1      ARG  24   2.071  -8.897  -5.973
  139   HH12  ARG  24          2HH1      ARG  24   1.104 -10.253  -5.496
  140   HH21  ARG  24          1HH2      ARG  24  -1.383  -8.314  -3.986
  141   HH22  ARG  24          2HH2      ARG  24  -0.861  -9.920  -4.366
  142    H    CYS  25           H        CYS  25   1.271  -3.648  -1.128
  143    HA   CYS  25           HA       CYS  25   4.131  -3.617  -0.619
  144    HB3  CYS  25          2HB       CYS  25   2.040  -3.169   1.486
  145    H    LEU  26           H        LEU  26   5.153  -4.854   1.006
  146    HA   LEU  26           HA       LEU  26   3.667  -7.212   1.936
  147    HB3  LEU  26          2HB       LEU  26   6.498  -7.313   0.917
  148    HG   LEU  26           HG       LEU  26   5.581  -9.181   2.467
  149   HD11  LEU  26          1HD1      LEU  26   4.414 -10.216  -0.086
  150   HD12  LEU  26          2HD1      LEU  26   3.439  -9.260   1.029
  151   HD13  LEU  26          3HD1      LEU  26   4.161 -10.776   1.567
  152   HD21  LEU  26          1HD2      LEU  26   7.585  -9.105   0.743
  153   HD22  LEU  26          2HD2      LEU  26   6.585 -10.286  -0.103
  154   HD23  LEU  26          3HD2      LEU  26   7.115 -10.600   1.550
  155    H    PHE  27           H        PHE  27   4.431  -8.152   3.874
  156    HA   PHE  27           HA       PHE  27   5.415  -6.293   5.768
  157    HB3  PHE  27          2HB       PHE  27   5.615  -8.466   7.197
  158    HD1  PHE  27          1HD       PHE  27   2.743  -7.645   4.954
  159    HD2  PHE  27          2HD       PHE  27   4.219  -7.962   8.933
  160    HE1  PHE  27          1HE       PHE  27   0.559  -6.911   5.819
  161    HE2  PHE  27          2HE       PHE  27   2.038  -7.231   9.804
  162    HZ   PHE  27           HZ       PHE  27   0.204  -6.704   8.246
  163    H    TYR  28           H        TYR  28   6.927  -8.732   3.794
  164    HA   TYR  28           HA       TYR  28   9.431  -8.608   5.253
  165    HB3  TYR  28          2HB       TYR  28  10.230 -10.173   3.472
  166    HD1  TYR  28          1HD       TYR  28   6.748 -11.217   3.635
  167    HD2  TYR  28          2HD       TYR  28  10.499 -11.306   5.642
  168    HE1  TYR  28          1HE       TYR  28   5.933 -13.045   5.065
  169    HE2  TYR  28          2HE       TYR  28   9.694 -13.136   7.076
  170    HH   TYR  28           HH       TYR  28   6.739 -13.866   7.640
  171    H    ALA  29           H        ALA  29   8.282  -7.780   1.987
  172    HA   ALA  29           HA       ALA  29  10.705  -6.551   1.174
  173    HB1  ALA  29          1HB       ALA  29   9.647  -6.083  -0.809
  174    HB2  ALA  29          2HB       ALA  29   8.674  -7.431  -0.223
  175    HB3  ALA  29          3HB       ALA  29   8.093  -5.777  -0.035
  176    H    ALA  30           H        ALA  30   7.701  -5.308   2.564
  177    HA   ALA  30           HA       ALA  30   7.182  -3.326   3.555
  178    HB1  ALA  30          1HB       ALA  30   9.789  -2.164   3.855
  179    HB2  ALA  30          2HB       ALA  30   8.692  -2.785   5.089
  180    HB3  ALA  30          3HB       ALA  30   9.829  -3.871   4.292
  181    H    LYS  31           H        LYS  31   8.174  -3.598   0.570
  182    HA   LYS  31           HA       LYS  31   7.799  -0.755  -0.005
  183    HB3  LYS  31          2HB       LYS  31  10.143  -2.431  -0.827
  184    HG3  LYS  31          2HG       LYS  31  10.550  -0.289  -2.357
  185    HD3  LYS  31          2HD       LYS  31   9.527  -1.707  -4.262
  186    HE3  LYS  31          2HE       LYS  31  11.751  -2.435  -2.423
  187    HZ1  LYS  31          1HZ       LYS  31  10.834  -4.126  -4.684
  188    HZ2  LYS  31          2HZ       LYS  31  10.953  -4.587  -3.061
  189    HZ3  LYS  31          3HZ       LYS  31  12.353  -4.253  -3.950
  190    H    CYS  32           H        CYS  32   6.629  -0.344  -1.827
  191    HA   CYS  32           HA       CYS  32   4.895  -2.236  -2.840
  192    HB3  CYS  32          2HB       CYS  32   5.338  -0.335  -4.902
  193    H    VAL  33           H        VAL  33   5.341  -4.040  -3.906
  194    HA   VAL  33           HA       VAL  33   7.496  -3.992  -5.918
  195    HB   VAL  33           HB       VAL  33   7.458  -6.551  -5.543
  196   HG11  VAL  33          1HG1      VAL  33   8.661  -5.705  -3.123
  197   HG12  VAL  33          2HG1      VAL  33   9.436  -6.049  -4.669
  198   HG13  VAL  33          3HG1      VAL  33   8.877  -4.416  -4.307
  199   HG21  VAL  33          1HG2      VAL  33   5.380  -5.963  -3.886
  200   HG22  VAL  33          2HG2      VAL  33   6.347  -7.436  -3.802
  201   HG23  VAL  33          3HG2      VAL  33   6.721  -6.074  -2.745
  202    H    SER  34           H        SER  34   7.014  -4.551  -7.956
  203    HA   SER  34           HA       SER  34   4.412  -4.610  -8.903
  204    HB3  SER  34          2HB       SER  34   7.057  -5.404 -10.047
  205    HG   SER  34           HG       SER  34   6.186  -6.610 -11.514
  Start of MODEL    9
    1    H1   SER   1           H        SER   1   1.108  19.489 -12.174
    2    HA   SER   1           HA       SER   1  -1.279  20.581 -13.353
    3    HB3  SER   1          2HB       SER   1   0.833  21.763 -13.624
    4    HG   SER   1           HG       SER   1   2.007  20.164 -15.437
    5    H    GLN   2           H        GLN   2  -2.701  19.059 -14.014
    6    HA   GLN   2           HA       GLN   2  -3.626  17.397 -15.260
    7    HB3  GLN   2          2HB       GLN   2  -1.288  17.466 -17.128
    8    HG3  GLN   2          2HG       GLN   2  -4.121  17.759 -17.963
    9   HE21  GLN   2          1HE2      GLN   2  -2.764  14.898 -18.906
   10   HE22  GLN   2          2HE2      GLN   2  -2.092  15.390 -20.419
   11    H    GLU   3           H        GLU   3  -2.010  16.608 -13.094
   12    HA   GLU   3           HA       GLU   3  -1.115  13.983 -14.064
   13    HB3  GLU   3          2HB       GLU   3   0.878  15.342 -13.648
   14    HG3  GLU   3          2HG       GLU   3  -0.250  15.646 -10.879
   15    H    GLN   4           H        GLN   4  -0.611  12.616 -11.895
   16    HA   GLN   4           HA       GLN   4  -2.656  13.098  -9.879
   17    HB3  GLN   4          2HB       GLN   4  -2.558  10.395 -11.184
   18    HG3  GLN   4          2HG       GLN   4  -4.534  11.858  -9.478
   19   HE21  GLN   4          1HE2      GLN   4  -6.506  10.639  -9.007
   20   HE22  GLN   4          2HE2      GLN   4  -7.292   9.804 -10.300
   21    H    ARG   5           H        ARG   5  -1.064  13.319  -8.339
   22    HA   ARG   5           HA       ARG   5   1.132  11.574  -8.033
   23    HB3  ARG   5          2HB       ARG   5  -0.200  13.327  -5.962
   24    HG3  ARG   5          2HG       ARG   5   1.763  11.497  -5.481
   25    HD3  ARG   5          2HD       ARG   5   2.994  14.068  -6.365
   26    HE   ARG   5           HE       ARG   5   3.707  12.806  -3.914
   27   HH11  ARG   5          1HH1      ARG   5   5.019  14.364  -6.737
   28   HH12  ARG   5          2HH1      ARG   5   6.464  14.888  -5.937
   29   HH21  ARG   5          1HH2      ARG   5   5.605  13.489  -2.850
   30   HH22  ARG   5          2HH2      ARG   5   6.797  14.389  -3.726
   31    H    GLN   6           H        GLN   6   0.988   9.480  -7.586
   32    HA   GLN   6           HA       GLN   6  -1.294   8.317  -6.323
   33    HB3  GLN   6          2HB       GLN   6  -0.112   6.210  -6.541
   34    HG3  GLN   6          2HG       GLN   6   0.193   8.045  -8.888
   35   HE21  GLN   6          1HE2      GLN   6  -0.070   4.550  -8.367
   36   HE22  GLN   6          2HE2      GLN   6   1.182   4.115  -9.476
   37    H    CYS   7           H        CYS   7  -0.456   6.449  -4.600
   38    HA   CYS   7           HA       CYS   7   0.332   8.046  -2.293
   39    HB3  CYS   7          2HB       CYS   7  -0.605   6.360  -0.948
   40    H    LYS   8           H        LYS   8   1.236   4.927  -3.761
   41    HA   LYS   8           HA       LYS   8   4.022   5.411  -3.271
   42    HB3  LYS   8          2HB       LYS   8   4.073   3.083  -1.989
   43    HG3  LYS   8          2HG       LYS   8   4.417   5.699  -1.195
   44    HD3  LYS   8          2HD       LYS   8   1.991   4.842  -0.058
   45    HE3  LYS   8          2HE       LYS   8   4.248   4.910   1.943
   46    HZ1  LYS   8          1HZ       LYS   8   1.376   4.541   2.546
   47    HZ2  LYS   8          2HZ       LYS   8   2.103   6.068   2.579
   48    HZ3  LYS   8          3HZ       LYS   8   2.644   4.851   3.622
   49    H    LYS   9           H        LYS   9   4.619   4.923  -5.299
   50    HA   LYS   9           HA       LYS   9   3.484   2.683  -6.721
   51    HB3  LYS   9          2HB       LYS   9   4.887   3.389  -8.571
   52    HG3  LYS   9          2HG       LYS   9   3.166   5.269  -7.197
   53    HD3  LYS   9          2HD       LYS   9   4.746   6.635  -9.278
   54    HE3  LYS   9          2HE       LYS   9   3.656   7.494  -6.600
   55    HZ1  LYS   9          1HZ       LYS   9   3.811   9.682  -8.136
   56    HZ2  LYS   9          2HZ       LYS   9   5.198   8.853  -8.633
   57    HZ3  LYS   9          3HZ       LYS   9   4.983   9.237  -6.999
   58    H    ILE  10           H        ILE  10   5.522   1.595  -8.120
   59    HA   ILE  10           HA       ILE  10   6.588  -0.299  -6.334
   60    HB   ILE  10           HB       ILE  10   7.546   0.319  -9.130
   61   HG13  ILE  10          2HG1      ILE  10   6.014  -1.520  -9.803
   62   HG21  ILE  10          1HG2      ILE  10   8.198  -1.756  -7.151
   63   HG22  ILE  10          2HG2      ILE  10   7.882  -2.342  -8.783
   64   HG23  ILE  10          3HG2      ILE  10   9.143  -1.140  -8.507
   65   HD11  ILE  10          1HD1      ILE  10   4.312  -1.289  -7.453
   66   HD12  ILE  10          2HD1      ILE  10   4.735  -2.702  -8.420
   67   HD13  ILE  10          3HD1      ILE  10   5.826  -2.142  -7.153
   68    H    GLY  11           H        GLY  11   8.259  -0.154  -4.998
   69    HA2  GLY  11          2HA       GLY  11  10.611   0.209  -4.646
   70    HA3  GLY  11          3HA       GLY  11  10.525   1.569  -5.755
   71    H    GLU  12           H        GLU  12   7.830   1.714  -3.861
   72    HA   GLU  12           HA       GLU  12   8.993   3.838  -2.249
   73    HB3  GLU  12          2HB       GLU  12   6.606   4.268  -1.606
   74    HG3  GLU  12          2HG       GLU  12   5.998   5.350  -3.547
   75    H    HIS  13           H        HIS  13   7.903   3.996   0.048
   76    HA   HIS  13           HA       HIS  13   8.455   1.434   1.376
   77    HB3  HIS  13          2HB       HIS  13   8.392   4.179   2.638
   78    HD1  HIS  13          1HD       HIS  13   7.521   3.240   4.875
   79    HD2  HIS  13          2HD       HIS  13  10.973   1.386   3.493
   80    HE1  HIS  13          1HE       HIS  13   8.379   1.886   6.812
   81    H    CYS  14           H        CYS  14   7.024   0.535   2.809
   82    HA   CYS  14           HA       CYS  14   4.700   1.878   3.760
   83    HB3  CYS  14          2HB       CYS  14   3.780   1.608   1.597
   84    H    TYR  15           H        TYR  15   3.633   0.718   5.356
   85    HA   TYR  15           HA       TYR  15   5.106  -1.569   6.374
   86    HB3  TYR  15          2HB       TYR  15   3.653  -1.290   8.375
   87    HD1  TYR  15          1HD       TYR  15   3.681   2.213   7.594
   88    HD2  TYR  15          2HD       TYR  15   6.126  -1.028   8.867
   89    HE1  TYR  15          1HE       TYR  15   5.346   3.811   8.444
   90    HE2  TYR  15          2HE       TYR  15   7.797   0.562   9.721
   91    HH   TYR  15           HH       TYR  15   8.387   3.148   9.052
   92    H    VAL  16           H        VAL  16   1.973  -0.816   5.005
   93    HA   VAL  16           HA       VAL  16   1.394  -3.696   4.892
   94    HB   VAL  16           HB       VAL  16  -1.043  -3.130   5.222
   95   HG11  VAL  16          1HG1      VAL  16   0.792  -3.906   6.994
   96   HG12  VAL  16          2HG1      VAL  16   0.327  -2.374   7.738
   97   HG13  VAL  16          3HG1      VAL  16  -0.890  -3.614   7.435
   98   HG21  VAL  16          1HG2      VAL  16  -0.303  -0.563   4.945
   99   HG22  VAL  16          2HG2      VAL  16  -1.761  -1.064   5.800
  100   HG23  VAL  16          3HG2      VAL  16  -0.294  -0.688   6.705
  101    H    ALA  17           H        ALA  17  -0.624  -4.007   3.384
  102    HA   ALA  17           HA       ALA  17   0.143  -3.076   0.814
  103    HB1  ALA  17          1HB       ALA  17  -2.153  -4.699   1.845
  104    HB2  ALA  17          2HB       ALA  17  -2.104  -4.167   0.164
  105    HB3  ALA  17          3HB       ALA  17  -0.818  -5.191   0.802
  106    H    ASP  18           H        ASP  18  -2.532  -2.271   2.992
  107    HA   ASP  18           HA       ASP  18  -3.993  -0.604   1.323
  108    HB3  ASP  18          2HB       ASP  18  -3.564  -0.505   4.309
  109    H    GLU  19           H        GLU  19  -1.054   0.029   3.123
  110    HA   GLU  19           HA       GLU  19  -1.032   2.830   2.932
  111    HB3  GLU  19          2HB       GLU  19   1.536   2.456   3.067
  112    HG3  GLU  19          2HG       GLU  19   1.308   1.481   5.439
  113    H    CYS  20           H        CYS  20  -0.144   0.325   0.663
  114    HA   CYS  20           HA       CYS  20   1.012   2.249  -1.194
  115    HB3  CYS  20          2HB       CYS  20   0.730  -0.310  -2.399
  116    H    CYS  21           H        CYS  21  -0.074   3.174  -2.802
  117    HA   CYS  21           HA       CYS  21  -2.848   2.941  -3.090
  118    HB3  CYS  21          2HB       CYS  21  -1.781   3.895  -5.539
  119    H    SER  22           H        SER  22  -0.227   1.207  -4.584
  120    HA   SER  22           HA       SER  22  -1.900   0.039  -6.636
  121    HB3  SER  22          2HB       SER  22   0.752  -1.148  -6.031
  122    HG   SER  22           HG       SER  22  -0.048  -0.049  -8.480
  123    H    LYS  23           H        LYS  23  -1.138  -0.596  -3.387
  124    HA   LYS  23           HA       LYS  23  -1.721  -2.266  -1.956
  125    HB3  LYS  23          2HB       LYS  23  -3.571  -3.706  -2.522
  126    HG3  LYS  23          2HG       LYS  23  -4.855  -1.767  -4.052
  127    HD3  LYS  23          2HD       LYS  23  -4.607  -1.825  -1.048
  128    HE3  LYS  23          2HE       LYS  23  -7.165  -1.342  -2.447
  129    HZ1  LYS  23          1HZ       LYS  23  -7.540   0.095  -0.634
  130    HZ2  LYS  23          2HZ       LYS  23  -5.903   0.138  -0.212
  131    HZ3  LYS  23          3HZ       LYS  23  -6.798  -1.279   0.017
  132    H    ARG  24           H        ARG  24   0.697  -2.551  -3.198
  133    HA   ARG  24           HA       ARG  24   0.875  -5.470  -3.524
  134    HB3  ARG  24          2HB       ARG  24   3.037  -4.520  -4.933
  135    HG3  ARG  24          2HG       ARG  24   1.827  -5.108  -6.973
  136    HD3  ARG  24          2HD       ARG  24   2.517  -6.789  -4.961
  137    HE   ARG  24           HE       ARG  24  -0.144  -6.816  -4.585
  138   HH11  ARG  24          1HH1      ARG  24   2.060  -9.154  -5.924
  139   HH12  ARG  24          2HH1      ARG  24   1.122 -10.520  -5.420
  140   HH21  ARG  24          1HH2      ARG  24  -1.387  -8.607  -3.915
  141   HH22  ARG  24          2HH2      ARG  24  -0.839 -10.209  -4.278
  142    H    CYS  25           H        CYS  25   1.204  -3.857  -1.144
  143    HA   CYS  25           HA       CYS  25   4.067  -3.770  -0.660
  144    HB3  CYS  25          2HB       CYS  25   1.988  -3.329   1.457
  145    H    LEU  26           H        LEU  26   5.121  -4.964   0.977
  146    HA   LEU  26           HA       LEU  26   3.685  -7.338   1.948
  147    HB3  LEU  26          2HB       LEU  26   6.511  -7.400   0.913
  148    HG   LEU  26           HG       LEU  26   5.641  -9.262   2.494
  149   HD11  LEU  26          1HD1      LEU  26   4.473 -10.354  -0.035
  150   HD12  LEU  26          2HD1      LEU  26   3.490  -9.400   1.075
  151   HD13  LEU  26          3HD1      LEU  26   4.243 -10.895   1.628
  152   HD21  LEU  26          1HD2      LEU  26   7.197 -10.660   1.590
  153   HD22  LEU  26          2HD2      LEU  26   7.628  -9.171   0.748
  154   HD23  LEU  26          3HD2      LEU  26   6.644 -10.392  -0.063
  155    H    PHE  27           H        PHE  27   4.475  -8.236   3.894
  156    HA   PHE  27           HA       PHE  27   5.435  -6.334   5.758
  157    HB3  PHE  27          2HB       PHE  27   5.689  -8.490   7.209
  158    HD1  PHE  27          1HD       PHE  27   4.309  -7.978   8.955
  159    HD2  PHE  27          2HD       PHE  27   2.777  -7.747   4.990
  160    HE1  PHE  27          1HE       PHE  27   2.126  -7.269   9.843
  161    HE2  PHE  27          2HE       PHE  27   0.592  -7.038   5.872
  162    HZ   PHE  27           HZ       PHE  27   0.265  -6.797   8.301
  163    H    TYR  28           H        TYR  28   6.983  -8.777   3.813
  164    HA   TYR  28           HA       TYR  28   9.493  -8.578   5.253
  165    HB3  TYR  28          2HB       TYR  28  10.312 -10.162   3.502
  166    HD1  TYR  28          1HD       TYR  28  10.603 -11.255   5.687
  167    HD2  TYR  28          2HD       TYR  28   6.847 -11.262   3.688
  168    HE1  TYR  28          1HE       TYR  28   9.831 -13.072   7.155
  169    HE2  TYR  28          2HE       TYR  28   6.065 -13.076   5.151
  170    HH   TYR  28           HH       TYR  28   6.635 -13.948   7.469
  171    H    ALA  29           H        ALA  29   8.303  -7.827   1.983
  172    HA   ALA  29           HA       ALA  29  10.696  -6.573   1.124
  173    HB1  ALA  29          1HB       ALA  29   8.427  -7.425  -0.117
  174    HB2  ALA  29          2HB       ALA  29   8.232  -5.673  -0.175
  175    HB3  ALA  29          3HB       ALA  29   9.672  -6.424  -0.863
  176    H    ALA  30           H        ALA  30   7.689  -5.355   2.530
  177    HA   ALA  30           HA       ALA  30   7.150  -3.364   3.491
  178    HB1  ALA  30          1HB       ALA  30   9.802  -3.868   4.223
  179    HB2  ALA  30          2HB       ALA  30   9.751  -2.170   3.748
  180    HB3  ALA  30          3HB       ALA  30   8.663  -2.767   5.001
  181    H    LYS  31           H        LYS  31   8.117  -3.668   0.503
  182    HA   LYS  31           HA       LYS  31   7.700  -0.840  -0.112
  183    HB3  LYS  31          2HB       LYS  31  10.059  -2.496  -0.931
  184    HG3  LYS  31          2HG       LYS  31  10.430  -0.374  -2.494
  185    HD3  LYS  31          2HD       LYS  31   9.408  -1.819  -4.372
  186    HE3  LYS  31          2HE       LYS  31  11.740  -2.174  -2.717
  187    HZ1  LYS  31          1HZ       LYS  31  12.207  -4.393  -2.981
  188    HZ2  LYS  31          2HZ       LYS  31  11.079  -4.613  -4.222
  189    HZ3  LYS  31          3HZ       LYS  31  10.555  -4.459  -2.621
  190    H    CYS  32           H        CYS  32   6.513  -0.471  -1.933
  191    HA   CYS  32           HA       CYS  32   4.797  -2.403  -2.901
  192    HB3  CYS  32          2HB       CYS  32   5.193  -0.521  -4.990
  193    H    VAL  33           H        VAL  33   5.263  -4.215  -3.947
  194    HA   VAL  33           HA       VAL  33   7.399  -4.157  -5.979
  195    HB   VAL  33           HB       VAL  33   7.405  -6.711  -5.573
  196   HG11  VAL  33          1HG1      VAL  33   8.611  -5.816  -3.172
  197   HG12  VAL  33          2HG1      VAL  33   9.381  -6.171  -4.720
  198   HG13  VAL  33          3HG1      VAL  33   8.800  -4.540  -4.374
  199   HG21  VAL  33          1HG2      VAL  33   6.323  -7.592  -3.814
  200   HG22  VAL  33          2HG2      VAL  33   6.681  -6.213  -2.775
  201   HG23  VAL  33          3HG2      VAL  33   5.330  -6.137  -3.905
  202    H    SER  34           H        SER  34   6.908  -4.747  -8.007
  203    HA   SER  34           HA       SER  34   4.301  -4.856  -8.931
  204    HB3  SER  34          2HB       SER  34   6.926  -5.716 -10.105
  205    HG   SER  34           HG       SER  34   5.789  -6.123 -12.060
  Start of MODEL   10
    1    H1   SER   1           H        SER   1   5.378  11.554 -14.561
    2    HA   SER   1           HA       SER   1   4.100  13.310 -13.367
    3    HB3  SER   1          2HB       SER   1   4.268  15.085 -15.273
    4    HG   SER   1           HG       SER   1   6.365  15.278 -14.780
    5    H    GLN   2           H        GLN   2   2.026  11.722 -13.648
    6    HA   GLN   2           HA       GLN   2   0.080  13.036 -15.400
    7    HB3  GLN   2          2HB       GLN   2  -0.831  10.735 -13.824
    8    HG3  GLN   2          2HG       GLN   2  -0.708  11.069 -16.806
    9   HE21  GLN   2          1HE2      GLN   2  -3.232  10.173 -14.520
   10   HE22  GLN   2          2HE2      GLN   2  -3.467   8.573 -15.126
   11    H    GLU   3           H        GLU   3  -2.117  13.401 -14.508
   12    HA   GLU   3           HA       GLU   3  -2.003  15.049 -12.224
   13    HB3  GLU   3          2HB       GLU   3  -3.638  15.318 -14.071
   14    HG3  GLU   3          2HG       GLU   3  -5.182  13.084 -12.786
   15    H    GLN   4           H        GLN   4  -3.308  14.803 -10.255
   16    HA   GLN   4           HA       GLN   4  -3.801  13.717  -8.319
   17    HB3  GLN   4          2HB       GLN   4  -4.587  11.178  -8.895
   18    HG3  GLN   4          2HG       GLN   4  -6.416  13.429  -9.615
   19   HE21  GLN   4          1HE2      GLN   4  -8.561  12.974  -9.121
   20   HE22  GLN   4          2HE2      GLN   4  -9.109  11.368  -8.806
   21    H    ARG   5           H        ARG   5  -1.814  13.591  -7.359
   22    HA   ARG   5           HA       ARG   5   0.219  11.774  -8.087
   23    HB3  ARG   5          2HB       ARG   5  -0.056  12.858  -5.305
   24    HG3  ARG   5          2HG       ARG   5   2.358  12.816  -7.089
   25    HD3  ARG   5          2HD       ARG   5   1.776  13.485  -4.263
   26    HE   ARG   5           HE       ARG   5   3.862  11.650  -4.878
   27   HH11  ARG   5          1HH1      ARG   5   3.093  14.451  -2.957
   28   HH12  ARG   5          2HH1      ARG   5   4.258  14.090  -1.728
   29   HH21  ARG   5          1HH2      ARG   5   5.401  11.165  -3.266
   30   HH22  ARG   5          2HH2      ARG   5   5.571  12.220  -1.905
   31    H    GLN   6           H        GLN   6   0.814   9.797  -7.263
   32    HA   GLN   6           HA       GLN   6  -1.310   8.227  -6.113
   33    HB3  GLN   6          2HB       GLN   6   0.649   6.460  -6.169
   34    HG3  GLN   6          2HG       GLN   6  -1.378   6.795  -7.788
   35   HE21  GLN   6          1HE2      GLN   6  -2.034   7.969  -9.426
   36   HE22  GLN   6          2HE2      GLN   6  -1.041   8.645 -10.667
   37    H    CYS   7           H        CYS   7  -0.478   6.535  -4.379
   38    HA   CYS   7           HA       CYS   7   0.348   8.144  -2.095
   39    HB3  CYS   7          2HB       CYS   7  -0.583   6.475  -0.726
   40    H    LYS   8           H        LYS   8   1.213   5.008  -3.550
   41    HA   LYS   8           HA       LYS   8   4.009   5.477  -3.087
   42    HB3  LYS   8          2HB       LYS   8   4.066   3.157  -1.803
   43    HG3  LYS   8          2HG       LYS   8   4.406   5.766  -1.003
   44    HD3  LYS   8          2HD       LYS   8   1.962   4.949   0.098
   45    HE3  LYS   8          2HE       LYS   8   3.568   3.653   1.672
   46    HZ1  LYS   8          1HZ       LYS   8   4.970   5.738   1.985
   47    HZ2  LYS   8          2HZ       LYS   8   4.570   4.857   3.372
   48    HZ3  LYS   8          3HZ       LYS   8   3.736   6.283   3.005
   49    H    LYS   9           H        LYS   9   4.578   4.992  -5.124
   50    HA   LYS   9           HA       LYS   9   3.423   2.752  -6.531
   51    HB3  LYS   9          2HB       LYS   9   4.822   3.455  -8.397
   52    HG3  LYS   9          2HG       LYS   9   4.217   6.164  -7.629
   53    HD3  LYS   9          2HD       LYS   9   2.356   5.597  -9.412
   54    HE3  LYS   9          2HE       LYS   9   5.009   5.349 -10.648
   55    HZ1  LYS   9          1HZ       LYS   9   2.578   6.518 -11.232
   56    HZ2  LYS   9          2HZ       LYS   9   3.995   6.593 -12.155
   57    HZ3  LYS   9          3HZ       LYS   9   3.656   7.807 -11.025
   58    H    ILE  10           H        ILE  10   5.397   1.623  -7.945
   59    HA   ILE  10           HA       ILE  10   6.505  -0.253  -6.178
   60    HB   ILE  10           HB       ILE  10   7.428   0.361  -8.986
   61   HG13  ILE  10          2HG1      ILE  10   5.882  -1.472  -9.641
   62   HG21  ILE  10          1HG2      ILE  10   8.098  -1.714  -7.016
   63   HG22  ILE  10          2HG2      ILE  10   7.760  -2.301  -8.643
   64   HG23  ILE  10          3HG2      ILE  10   9.027  -1.102  -8.384
   65   HD11  ILE  10          1HD1      ILE  10   5.726  -2.102  -6.995
   66   HD12  ILE  10          2HD1      ILE  10   4.215  -1.232  -7.264
   67   HD13  ILE  10          3HD1      ILE  10   4.606  -2.644  -8.244
   68    H    GLY  11           H        GLY  11   8.188  -0.097  -4.857
   69    HA2  GLY  11          2HA       GLY  11  10.547   0.260  -4.539
   70    HA3  GLY  11          3HA       GLY  11  10.447   1.618  -5.649
   71    H    GLU  12           H        GLU  12   7.778   1.762  -3.716
   72    HA   GLU  12           HA       GLU  12   8.969   3.883  -2.116
   73    HB3  GLU  12          2HB       GLU  12   6.582   4.316  -1.449
   74    HG3  GLU  12          2HG       GLU  12   5.981   5.436  -3.370
   75    H    HIS  13           H        HIS  13   7.940   4.052   0.192
   76    HA   HIS  13           HA       HIS  13   8.472   1.483   1.512
   77    HB3  HIS  13          2HB       HIS  13   8.425   4.227   2.779
   78    HD1  HIS  13          1HD       HIS  13   7.580   3.293   5.024
   79    HD2  HIS  13          2HD       HIS  13  11.004   1.419   3.601
   80    HE1  HIS  13          1HE       HIS  13   8.451   1.931   6.950
   81    H    CYS  14           H        CYS  14   7.054   0.596   2.970
   82    HA   CYS  14           HA       CYS  14   4.740   1.944   3.934
   83    HB3  CYS  14          2HB       CYS  14   3.805   1.674   1.776
   84    H    TYR  15           H        TYR  15   3.680   0.784   5.536
   85    HA   TYR  15           HA       TYR  15   5.156  -1.507   6.542
   86    HB3  TYR  15          2HB       TYR  15   3.681  -1.224   8.548
   87    HD1  TYR  15          1HD       TYR  15   6.278  -1.066   8.807
   88    HD2  TYR  15          2HD       TYR  15   3.749   2.272   8.060
   89    HE1  TYR  15          1HE       TYR  15   8.013   0.438   9.689
   90    HE2  TYR  15          2HE       TYR  15   5.477   3.785   8.938
   91    HH   TYR  15           HH       TYR  15   8.677   2.624   9.791
   92    H    VAL  16           H        VAL  16   2.010  -0.738   5.209
   93    HA   VAL  16           HA       VAL  16   1.415  -3.614   5.104
   94    HB   VAL  16           HB       VAL  16  -1.003  -3.067   5.477
   95   HG11  VAL  16          1HG1      VAL  16  -0.779  -3.566   7.660
   96   HG12  VAL  16          2HG1      VAL  16   0.938  -3.668   7.267
   97   HG13  VAL  16          3HG1      VAL  16   0.280  -2.192   7.973
   98   HG21  VAL  16          1HG2      VAL  16  -1.751  -0.997   5.998
   99   HG22  VAL  16          2HG2      VAL  16  -0.277  -0.563   6.866
  100   HG23  VAL  16          3HG2      VAL  16  -0.314  -0.498   5.104
  101    H    ALA  17           H        ALA  17  -0.614  -3.921   3.612
  102    HA   ALA  17           HA       ALA  17   0.131  -2.991   1.035
  103    HB1  ALA  17          1HB       ALA  17  -2.151  -4.616   2.090
  104    HB2  ALA  17          2HB       ALA  17  -2.130  -4.077   0.410
  105    HB3  ALA  17          3HB       ALA  17  -0.832  -5.101   1.025
  106    H    ASP  18           H        ASP  18  -2.526  -2.185   3.235
  107    HA   ASP  18           HA       ASP  18  -3.997  -0.514   1.578
  108    HB3  ASP  18          2HB       ASP  18  -3.607   0.115   4.491
  109    H    GLU  19           H        GLU  19  -1.043   0.112   3.357
  110    HA   GLU  19           HA       GLU  19  -1.020   2.913   3.172
  111    HB3  GLU  19          2HB       GLU  19   1.546   2.540   3.292
  112    HG3  GLU  19          2HG       GLU  19   1.019   1.256   5.654
  113    H    CYS  20           H        CYS  20  -0.152   0.412   0.892
  114    HA   CYS  20           HA       CYS  20   0.997   2.334  -0.970
  115    HB3  CYS  20          2HB       CYS  20   0.694  -0.222  -2.176
  116    H    CYS  21           H        CYS  21  -0.098   3.268  -2.568
  117    HA   CYS  21           HA       CYS  21  -2.874   3.048  -2.836
  118    HB3  CYS  21          2HB       CYS  21  -1.819   4.002  -5.292
  119    H    SER  22           H        SER  22  -0.270   1.310  -4.359
  120    HA   SER  22           HA       SER  22  -1.964   0.151  -6.398
  121    HB3  SER  22          2HB       SER  22   0.927  -0.123  -5.636
  122    HG   SER  22           HG       SER  22   0.601  -1.587  -7.737
  123    H    LYS  23           H        LYS  23  -1.178  -0.496  -3.156
  124    HA   LYS  23           HA       LYS  23  -1.758  -2.167  -1.725
  125    HB3  LYS  23          2HB       LYS  23  -3.621  -3.593  -2.277
  126    HG3  LYS  23          2HG       LYS  23  -4.907  -1.640  -3.788
  127    HD3  LYS  23          2HD       LYS  23  -4.634  -1.715  -0.786
  128    HE3  LYS  23          2HE       LYS  23  -6.625  -0.606  -2.719
  129    HZ1  LYS  23          1HZ       LYS  23  -7.472  -0.834   0.049
  130    HZ2  LYS  23          2HZ       LYS  23  -7.532  -2.265  -0.851
  131    HZ3  LYS  23          3HZ       LYS  23  -8.386  -0.901  -1.374
  132    H    ARG  24           H        ARG  24   0.650  -2.467  -2.961
  133    HA   ARG  24           HA       ARG  24   0.805  -5.385  -3.302
  134    HB3  ARG  24          2HB       ARG  24   2.956  -4.460  -4.736
  135    HG3  ARG  24          2HG       ARG  24   1.718  -5.024  -6.763
  136    HD3  ARG  24          2HD       ARG  24   0.781  -6.997  -4.729
  137    HE   ARG  24           HE       ARG  24   2.354  -7.935  -6.902
  138   HH11  ARG  24          1HH1      ARG  24  -0.810  -6.741  -6.076
  139   HH12  ARG  24          2HH1      ARG  24  -1.605  -7.572  -7.371
  140   HH21  ARG  24          1HH2      ARG  24   1.319  -9.035  -8.612
  141   HH22  ARG  24          2HH2      ARG  24  -0.392  -8.878  -8.812
  142    H    CYS  25           H        CYS  25   1.169  -3.775  -0.927
  143    HA   CYS  25           HA       CYS  25   4.037  -3.701  -0.472
  144    HB3  CYS  25          2HB       CYS  25   1.981  -3.254   1.667
  145    H    LEU  26           H        LEU  26   5.104  -4.905   1.150
  146    HA   LEU  26           HA       LEU  26   3.667  -7.271   2.135
  147    HB3  LEU  26          2HB       LEU  26   6.480  -7.347   1.068
  148    HG   LEU  26           HG       LEU  26   5.617  -9.207   2.656
  149   HD11  LEU  26          1HD1      LEU  26   4.418 -10.291   0.138
  150   HD12  LEU  26          2HD1      LEU  26   3.450  -9.332   1.256
  151   HD13  LEU  26          3HD1      LEU  26   4.201 -10.831   1.803
  152   HD21  LEU  26          1HD2      LEU  26   6.587 -10.334   0.084
  153   HD22  LEU  26          2HD2      LEU  26   7.153 -10.617   1.731
  154   HD23  LEU  26          3HD2      LEU  26   7.587  -9.126   0.893
  155    H    PHE  27           H        PHE  27   4.476  -8.177   4.070
  156    HA   PHE  27           HA       PHE  27   5.469  -6.281   5.924
  157    HB3  PHE  27          2HB       PHE  27   5.725  -8.436   7.374
  158    HD1  PHE  27          1HD       PHE  27   2.801  -7.674   5.177
  159    HD2  PHE  27          2HD       PHE  27   4.357  -7.928   9.131
  160    HE1  PHE  27          1HE       PHE  27   0.625  -6.955   6.076
  161    HE2  PHE  27          2HE       PHE  27   2.184  -7.210  10.036
  162    HZ   PHE  27           HZ       PHE  27   0.314  -6.724   8.508
  163    H    TYR  28           H        TYR  28   6.979  -8.727   3.956
  164    HA   TYR  28           HA       TYR  28   9.506  -8.551   5.368
  165    HB3  TYR  28          2HB       TYR  28  10.294 -10.129   3.595
  166    HD1  TYR  28          1HD       TYR  28  10.613 -11.231   5.772
  167    HD2  TYR  28          2HD       TYR  28   6.829 -11.216   3.828
  168    HE1  TYR  28          1HE       TYR  28   9.856 -13.052   7.244
  169    HE2  TYR  28          2HE       TYR  28   6.061 -13.035   5.294
  170    HH   TYR  28           HH       TYR  28   8.066 -14.929   7.077
  171    H    ALA  29           H        ALA  29   8.288  -7.780   2.113
  172    HA   ALA  29           HA       ALA  29  10.681  -6.532   1.240
  173    HB1  ALA  29          1HB       ALA  29   9.635  -6.312  -0.741
  174    HB2  ALA  29          2HB       ALA  29   8.450  -7.398  -0.015
  175    HB3  ALA  29          3HB       ALA  29   8.167  -5.657  -0.014
  176    H    ALA  30           H        ALA  30   7.687  -5.309   2.670
  177    HA   ALA  30           HA       ALA  30   7.161  -3.320   3.645
  178    HB1  ALA  30          1HB       ALA  30   8.692  -2.742   5.144
  179    HB2  ALA  30          2HB       ALA  30   9.828  -3.825   4.339
  180    HB3  ALA  30          3HB       ALA  30   9.759  -2.122   3.883
  181    H    LYS  31           H        LYS  31   8.101  -3.619   0.645
  182    HA   LYS  31           HA       LYS  31   7.679  -0.788   0.041
  183    HB3  LYS  31          2HB       LYS  31  10.029  -2.446  -0.805
  184    HG3  LYS  31          2HG       LYS  31  10.385  -0.320  -2.366
  185    HD3  LYS  31          2HD       LYS  31   9.345  -1.758  -4.238
  186    HE3  LYS  31          2HE       LYS  31  11.690  -2.128  -2.602
  187    HZ1  LYS  31          1HZ       LYS  31  10.449  -4.419  -2.575
  188    HZ2  LYS  31          2HZ       LYS  31  12.122  -4.338  -2.812
  189    HZ3  LYS  31          3HZ       LYS  31  11.089  -4.549  -4.136
  190    H    CYS  32           H        CYS  32   6.477  -0.414  -1.769
  191    HA   CYS  32           HA       CYS  32   4.747  -2.340  -2.723
  192    HB3  CYS  32          2HB       CYS  32   5.125  -0.461  -4.816
  193    H    VAL  33           H        VAL  33   5.195  -4.152  -3.774
  194    HA   VAL  33           HA       VAL  33   7.311  -4.100  -5.828
  195    HB   VAL  33           HB       VAL  33   7.318  -6.655  -5.419
  196   HG11  VAL  33          1HG1      VAL  33   8.730  -4.486  -4.242
  197   HG12  VAL  33          2HG1      VAL  33   8.550  -5.757  -3.031
  198   HG13  VAL  33          3HG1      VAL  33   9.302  -6.118  -4.585
  199   HG21  VAL  33          1HG2      VAL  33   6.250  -7.533  -3.651
  200   HG22  VAL  33          2HG2      VAL  33   6.625  -6.156  -2.614
  201   HG23  VAL  33          3HG2      VAL  33   5.262  -6.074  -3.730
  202    H    SER  34           H        SER  34   6.797  -4.693  -7.850
  203    HA   SER  34           HA       SER  34   4.177  -4.801  -8.743
  204    HB3  SER  34          2HB       SER  34   6.769  -5.726  -9.966
  205    HG   SER  34           HG       SER  34   4.830  -5.487 -11.789
  Start of MODEL   11
    1    H1   SER   1           H        SER   1   5.890  21.349 -11.048
    2    HA   SER   1           HA       SER   1   3.953  20.789 -12.280
    3    HB3  SER   1          2HB       SER   1   4.460  19.516 -14.534
    4    HG   SER   1           HG       SER   1   3.480  21.407 -14.811
    5    H    GLN   2           H        GLN   2   2.846  18.871 -12.092
    6    HA   GLN   2           HA       GLN   2   4.169  16.332 -12.037
    7    HB3  GLN   2          2HB       GLN   2   2.925  17.104  -9.421
    8    HG3  GLN   2          2HG       GLN   2   3.492  14.723  -9.925
    9   HE21  GLN   2          1HE2      GLN   2   4.730  13.854 -11.458
   10   HE22  GLN   2          2HE2      GLN   2   6.456  13.916 -11.498
   11    H    GLU   3           H        GLU   3   2.752  14.996 -12.927
   12    HA   GLU   3           HA       GLU   3  -0.117  15.496 -12.497
   13    HB3  GLU   3          2HB       GLU   3   0.568  15.707 -14.831
   14    HG3  GLU   3          2HG       GLU   3   1.047  12.892 -15.332
   15    H    GLN   4           H        GLN   4  -1.508  13.739 -12.112
   16    HA   GLN   4           HA       GLN   4  -2.142  11.796 -11.115
   17    HB3  GLN   4          2HB       GLN   4  -0.052  10.003 -11.715
   18    HG3  GLN   4          2HG       GLN   4  -1.602   9.352 -13.637
   19   HE21  GLN   4          1HE2      GLN   4  -3.921  10.162 -11.283
   20   HE22  GLN   4          2HE2      GLN   4  -3.896   8.674 -10.406
   21    H    ARG   5           H        ARG   5  -1.933  12.372  -8.979
   22    HA   ARG   5           HA       ARG   5   0.649  11.944  -7.671
   23    HB3  ARG   5          2HB       ARG   5  -1.912  13.221  -6.706
   24    HG3  ARG   5          2HG       ARG   5   0.389  12.291  -5.187
   25    HD3  ARG   5          2HD       ARG   5  -0.565  15.020  -4.453
   26    HE   ARG   5           HE       ARG   5   1.398  13.276  -3.440
   27   HH11  ARG   5          1HH1      ARG   5   0.883  16.643  -4.157
   28   HH12  ARG   5          2HH1      ARG   5   1.983  17.204  -2.942
   29   HH21  ARG   5          1HH2      ARG   5   2.848  14.002  -1.836
   30   HH22  ARG   5          2HH2      ARG   5   3.100  15.701  -1.622
   31    H    GLN   6           H        GLN   6   0.961   9.855  -7.185
   32    HA   GLN   6           HA       GLN   6  -1.269   8.252  -6.191
   33    HB3  GLN   6          2HB       GLN   6   0.627   6.442  -6.261
   34    HG3  GLN   6          2HG       GLN   6   0.404   6.609  -8.946
   35   HE21  GLN   6          1HE2      GLN   6  -2.609   6.605  -7.189
   36   HE22  GLN   6          2HE2      GLN   6  -2.824   4.891  -7.169
   37    H    CYS   7           H        CYS   7  -0.447   6.559  -4.453
   38    HA   CYS   7           HA       CYS   7   0.415   8.172  -2.185
   39    HB3  CYS   7          2HB       CYS   7  -0.529   6.523  -0.798
   40    H    LYS   8           H        LYS   8   1.230   5.015  -3.625
   41    HA   LYS   8           HA       LYS   8   4.034   5.450  -3.184
   42    HB3  LYS   8          2HB       LYS   8   4.069   3.137  -1.885
   43    HG3  LYS   8          2HG       LYS   8   4.449   5.748  -1.105
   44    HD3  LYS   8          2HD       LYS   8   2.001   4.980   0.013
   45    HE3  LYS   8          2HE       LYS   8   3.600   3.652   1.577
   46    HZ1  LYS   8          1HZ       LYS   8   4.490   4.903   3.374
   47    HZ2  LYS   8          2HZ       LYS   8   3.839   6.349   2.789
   48    HZ3  LYS   8          3HZ       LYS   8   5.091   5.584   1.947
   49    H    LYS   9           H        LYS   9   4.587   4.942  -5.220
   50    HA   LYS   9           HA       LYS   9   3.390   2.714  -6.608
   51    HB3  LYS   9          2HB       LYS   9   4.794   3.381  -8.483
   52    HG3  LYS   9          2HG       LYS   9   3.073   5.271  -7.123
   53    HD3  LYS   9          2HD       LYS   9   5.444   6.277  -8.633
   54    HE3  LYS   9          2HE       LYS   9   2.642   7.155  -8.974
   55    HZ1  LYS   9          1HZ       LYS   9   2.939   9.291  -8.530
   56    HZ2  LYS   9          2HZ       LYS   9   4.389   9.350  -9.400
   57    HZ3  LYS   9          3HZ       LYS   9   4.400   8.899  -7.769
   58    H    ILE  10           H        ILE  10   5.377   1.576  -8.034
   59    HA   ILE  10           HA       ILE  10   6.448  -0.321  -6.255
   60    HB   ILE  10           HB       ILE  10   7.367   0.266  -9.071
   61   HG13  ILE  10          2HG1      ILE  10   5.795  -1.553  -9.707
   62   HG21  ILE  10          1HG2      ILE  10   7.670  -2.397  -8.718
   63   HG22  ILE  10          2HG2      ILE  10   8.951  -1.213  -8.468
   64   HG23  ILE  10          3HG2      ILE  10   8.022  -1.808  -7.093
   65   HD11  ILE  10          1HD1      ILE  10   4.141  -1.276  -7.326
   66   HD12  ILE  10          2HD1      ILE  10   4.516  -2.702  -8.293
   67   HD13  ILE  10          3HD1      ILE  10   5.643  -2.157  -7.051
   68    H    GLY  11           H        GLY  11   8.140  -0.186  -4.944
   69    HA2  GLY  11          2HA       GLY  11  10.505   0.138  -4.637
   70    HA3  GLY  11          3HA       GLY  11  10.420   1.493  -5.753
   71    H    GLU  12           H        GLU  12   7.763   1.680  -3.805
   72    HA   GLU  12           HA       GLU  12   8.987   3.794  -2.224
   73    HB3  GLU  12          2HB       GLU  12   6.618   4.270  -1.547
   74    HG3  GLU  12          2HG       GLU  12   6.005   5.361  -3.480
   75    H    HIS  13           H        HIS  13   7.946   3.982   0.089
   76    HA   HIS  13           HA       HIS  13   8.468   1.415   1.419
   77    HB3  HIS  13          2HB       HIS  13   8.468   4.165   2.671
   78    HD1  HIS  13          1HD       HIS  13   7.619   3.251   4.926
   79    HD2  HIS  13          2HD       HIS  13  11.013   1.328   3.496
   80    HE1  HIS  13          1HE       HIS  13   8.483   1.889   6.855
   81    H    CYS  14           H        CYS  14   7.046   0.550   2.885
   82    HA   CYS  14           HA       CYS  14   4.758   1.935   3.861
   83    HB3  CYS  14          2HB       CYS  14   3.802   1.670   1.712
   84    H    TYR  15           H        TYR  15   3.693   0.796   5.475
   85    HA   TYR  15           HA       TYR  15   5.143  -1.511   6.481
   86    HB3  TYR  15          2HB       TYR  15   3.821  -1.189   8.522
   87    HD1  TYR  15          1HD       TYR  15   3.660   2.279   7.470
   88    HD2  TYR  15          2HD       TYR  15   6.203  -0.743   9.055
   89    HE1  TYR  15          1HE       TYR  15   5.257   4.007   8.187
   90    HE2  TYR  15          2HE       TYR  15   7.805   0.977   9.778
   91    HH   TYR  15           HH       TYR  15   7.050   4.368   9.640
   92    H    VAL  16           H        VAL  16   2.004  -0.709   5.153
   93    HA   VAL  16           HA       VAL  16   1.373  -3.578   5.063
   94    HB   VAL  16           HB       VAL  16  -1.052  -2.959   5.422
   95   HG11  VAL  16          1HG1      VAL  16  -0.463  -3.977   7.322
   96   HG12  VAL  16          2HG1      VAL  16   1.095  -3.148   7.384
   97   HG13  VAL  16          3HG1      VAL  16  -0.352  -2.356   8.010
   98   HG21  VAL  16          1HG2      VAL  16  -0.310  -0.569   6.946
   99   HG22  VAL  16          2HG2      VAL  16  -0.172  -0.389   5.198
  100   HG23  VAL  16          3HG2      VAL  16  -1.709  -0.870   5.916
  101    H    ALA  17           H        ALA  17  -0.671  -3.861   3.584
  102    HA   ALA  17           HA       ALA  17   0.073  -2.951   1.000
  103    HB1  ALA  17          1HB       ALA  17  -2.224  -4.542   2.074
  104    HB2  ALA  17          2HB       ALA  17  -2.207  -4.007   0.393
  105    HB3  ALA  17          3HB       ALA  17  -0.920  -5.048   1.001
  106    H    ASP  18           H        ASP  18  -2.560  -2.100   3.212
  107    HA   ASP  18           HA       ASP  18  -4.017  -0.415   1.557
  108    HB3  ASP  18          2HB       ASP  18  -4.121   0.777   4.084
  109    H    GLU  19           H        GLU  19  -1.044   0.177   3.317
  110    HA   GLU  19           HA       GLU  19  -0.983   2.977   3.120
  111    HB3  GLU  19          2HB       GLU  19   1.651   2.328   3.051
  112    HG3  GLU  19          2HG       GLU  19   0.873   1.718   5.686
  113    H    CYS  20           H        CYS  20  -0.163   0.455   0.845
  114    HA   CYS  20           HA       CYS  20   0.999   2.355  -1.031
  115    HB3  CYS  20          2HB       CYS  20   0.657  -0.203  -2.225
  116    H    CYS  21           H        CYS  21  -0.092   3.296  -2.627
  117    HA   CYS  21           HA       CYS  21  -2.873   3.109  -2.878
  118    HB3  CYS  21          2HB       CYS  21  -1.819   4.040  -5.343
  119    H    SER  22           H        SER  22  -0.301   1.330  -4.406
  120    HA   SER  22           HA       SER  22  -2.018   0.187  -6.433
  121    HB3  SER  22          2HB       SER  22   0.635  -1.019  -5.834
  122    HG   SER  22           HG       SER  22   0.196  -0.097  -8.334
  123    H    LYS  23           H        LYS  23  -1.227  -0.458  -3.192
  124    HA   LYS  23           HA       LYS  23  -1.822  -2.116  -1.752
  125    HB3  LYS  23          2HB       LYS  23  -3.705  -3.520  -2.291
  126    HG3  LYS  23          2HG       LYS  23  -4.973  -1.555  -3.803
  127    HD3  LYS  23          2HD       LYS  23  -4.686  -1.619  -0.802
  128    HE3  LYS  23          2HE       LYS  23  -7.137  -0.975  -2.409
  129    HZ1  LYS  23          1HZ       LYS  23  -6.966   0.502  -0.090
  130    HZ2  LYS  23          2HZ       LYS  23  -6.458  -1.051   0.344
  131    HZ3  LYS  23          3HZ       LYS  23  -7.972  -0.826  -0.377
  132    H    ARG  24           H        ARG  24   0.576  -2.451  -3.004
  133    HA   ARG  24           HA       ARG  24   0.691  -5.373  -3.332
  134    HB3  ARG  24          2HB       ARG  24   2.846  -4.481  -4.782
  135    HG3  ARG  24          2HG       ARG  24   1.590  -5.041  -6.799
  136    HD3  ARG  24          2HD       ARG  24   0.721  -6.954  -4.657
  137    HE   ARG  24           HE       ARG  24   1.205  -7.195  -7.484
  138   HH11  ARG  24          1HH1      ARG  24   1.054  -8.874  -4.438
  139   HH12  ARG  24          2HH1      ARG  24   0.740 -10.419  -5.157
  140   HH21  ARG  24          1HH2      ARG  24   0.792  -9.223  -8.442
  141   HH22  ARG  24          2HH2      ARG  24   0.592 -10.617  -7.434
  142    H    CYS  25           H        CYS  25   1.090  -3.758  -0.965
  143    HA   CYS  25           HA       CYS  25   3.960  -3.718  -0.527
  144    HB3  CYS  25          2HB       CYS  25   1.922  -3.235   1.621
  145    H    LEU  26           H        LEU  26   5.020  -4.926   1.097
  146    HA   LEU  26           HA       LEU  26   3.559  -7.271   2.099
  147    HB3  LEU  26          2HB       LEU  26   6.367  -7.385   1.020
  148    HG   LEU  26           HG       LEU  26   5.490  -9.228   2.621
  149   HD11  LEU  26          1HD1      LEU  26   4.264 -10.308   0.115
  150   HD12  LEU  26          2HD1      LEU  26   3.315  -9.333   1.235
  151   HD13  LEU  26          3HD1      LEU  26   4.051 -10.839   1.783
  152   HD21  LEU  26          1HD2      LEU  26   6.433 -10.380   0.051
  153   HD22  LEU  26          2HD2      LEU  26   7.006 -10.658   1.695
  154   HD23  LEU  26          3HD2      LEU  26   7.450  -9.178   0.844
  155    H    PHE  27           H        PHE  27   4.365  -8.177   4.035
  156    HA   PHE  27           HA       PHE  27   5.387  -6.286   5.876
  157    HB3  PHE  27          2HB       PHE  27   5.622  -8.435   7.336
  158    HD1  PHE  27          1HD       PHE  27   2.709  -7.636   5.139
  159    HD2  PHE  27          2HD       PHE  27   4.254  -7.926   9.094
  160    HE1  PHE  27          1HE       PHE  27   0.542  -6.892   6.036
  161    HE2  PHE  27          2HE       PHE  27   2.090  -7.184   9.998
  162    HZ   PHE  27           HZ       PHE  27   0.230  -6.667   8.469
  163    H    TYR  28           H        TYR  28   6.861  -8.762   3.917
  164    HA   TYR  28           HA       TYR  28   9.396  -8.605   5.316
  165    HB3  TYR  28          2HB       TYR  28  10.158 -10.206   3.553
  166    HD1  TYR  28          1HD       TYR  28   6.680 -11.248   3.797
  167    HD2  TYR  28          2HD       TYR  28  10.464 -11.295   5.742
  168    HE1  TYR  28          1HE       TYR  28   5.891 -13.047   5.276
  169    HE2  TYR  28          2HE       TYR  28   9.686 -13.096   7.225
  170    HH   TYR  28           HH       TYR  28   8.058 -14.631   7.562
  171    H    ALA  29           H        ALA  29   8.171  -7.842   2.062
  172    HA   ALA  29           HA       ALA  29  10.573  -6.629   1.167
  173    HB1  ALA  29          1HB       ALA  29   9.319  -5.911  -0.742
  174    HB2  ALA  29          2HB       ALA  29   8.793  -7.541  -0.317
  175    HB3  ALA  29          3HB       ALA  29   7.792  -6.153   0.109
  176    H    ALA  30           H        ALA  30   7.606  -5.358   2.609
  177    HA   ALA  30           HA       ALA  30   7.112  -3.356   3.574
  178    HB1  ALA  30          1HB       ALA  30   9.739  -2.205   3.784
  179    HB2  ALA  30          2HB       ALA  30   8.658  -2.773   5.057
  180    HB3  ALA  30          3HB       ALA  30   9.764  -3.900   4.272
  181    H    LYS  31           H        LYS  31   8.030  -3.686   0.572
  182    HA   LYS  31           HA       LYS  31   7.649  -0.851  -0.046
  183    HB3  LYS  31          2HB       LYS  31   9.968  -2.549  -0.896
  184    HG3  LYS  31          2HG       LYS  31  10.349  -0.437  -2.470
  185    HD3  LYS  31          2HD       LYS  31   9.277  -1.869  -4.328
  186    HE3  LYS  31          2HE       LYS  31  11.699  -1.966  -3.119
  187    HZ1  LYS  31          1HZ       LYS  31  10.327  -4.324  -2.309
  188    HZ2  LYS  31          2HZ       LYS  31  11.856  -3.763  -1.852
  189    HZ3  LYS  31          3HZ       LYS  31  11.683  -4.705  -3.246
  190    H    CYS  32           H        CYS  32   6.441  -0.470  -1.850
  191    HA   CYS  32           HA       CYS  32   4.679  -2.375  -2.785
  192    HB3  CYS  32          2HB       CYS  32   5.069  -0.510  -4.888
  193    H    VAL  33           H        VAL  33   5.096  -4.198  -3.832
  194    HA   VAL  33           HA       VAL  33   7.200  -4.183  -5.899
  195    HB   VAL  33           HB       VAL  33   7.180  -6.734  -5.480
  196   HG11  VAL  33          1HG1      VAL  33   9.174  -6.222  -4.651
  197   HG12  VAL  33          2HG1      VAL  33   8.625  -4.578  -4.319
  198   HG13  VAL  33          3HG1      VAL  33   8.432  -5.837  -3.099
  199   HG21  VAL  33          1HG2      VAL  33   6.510  -6.219  -2.674
  200   HG22  VAL  33          2HG2      VAL  33   5.139  -6.120  -3.780
  201   HG23  VAL  33          3HG2      VAL  33   6.106  -7.593  -3.704
  202    H    SER  34           H        SER  34   6.665  -4.777  -7.914
  203    HA   SER  34           HA       SER  34   4.041  -4.852  -8.793
  204    HB3  SER  34          2HB       SER  34   6.588  -5.887 -10.039
  205    HG   SER  34           HG       SER  34   5.313  -6.935 -11.347
  Start of MODEL   12
    1    H1   SER   1           H        SER   1  -1.365  16.685 -20.422
    2    HA   SER   1           HA       SER   1  -2.972  17.135 -18.369
    3    HB3  SER   1          2HB       SER   1  -4.708  15.388 -18.284
    4    HG   SER   1           HG       SER   1  -5.099  16.606 -20.775
    5    H    GLN   2           H        GLN   2  -1.620  16.480 -16.844
    6    HA   GLN   2           HA       GLN   2  -0.658  13.702 -16.915
    7    HB3  GLN   2          2HB       GLN   2   1.139  15.232 -17.668
    8    HG3  GLN   2          2HG       GLN   2   1.755  16.292 -15.046
    9   HE21  GLN   2          1HE2      GLN   2   1.074  18.985 -16.003
   10   HE22  GLN   2          2HE2      GLN   2   2.226  19.348 -17.238
   11    H    GLU   3           H        GLU   3  -0.474  12.675 -14.945
   12    HA   GLU   3           HA       GLU   3  -1.407  14.196 -12.601
   13    HB3  GLU   3          2HB       GLU   3  -3.233  12.815 -13.219
   14    HG3  GLU   3          2HG       GLU   3  -1.189  10.925 -14.032
   15    H    GLN   4           H        GLN   4  -0.760  13.265 -10.514
   16    HA   GLN   4           HA       GLN   4   1.260  11.288 -10.332
   17    HB3  GLN   4          2HB       GLN   4   2.673  12.980 -11.339
   18    HG3  GLN   4          2HG       GLN   4   1.722  14.757  -9.109
   19   HE21  GLN   4          1HE2      GLN   4   3.928  14.689 -11.893
   20   HE22  GLN   4          2HE2      GLN   4   5.132  15.701 -11.179
   21    H    ARG   5           H        ARG   5  -1.164  11.779  -9.032
   22    HA   ARG   5           HA       ARG   5  -0.396  12.707  -6.358
   23    HB3  ARG   5          2HB       ARG   5  -3.190  11.916  -7.072
   24    HG3  ARG   5          2HG       ARG   5  -2.182  14.258  -5.478
   25    HD3  ARG   5          2HD       ARG   5  -4.577  14.097  -6.508
   26    HE   ARG   5           HE       ARG   5  -4.683  11.867  -4.783
   27   HH11  ARG   5          1HH1      ARG   5  -6.530  14.657  -5.741
   28   HH12  ARG   5          2HH1      ARG   5  -8.061  13.926  -5.395
   29   HH21  ARG   5          1HH2      ARG   5  -6.693  10.892  -4.322
   30   HH22  ARG   5          2HH2      ARG   5  -8.153  11.784  -4.586
   31    H    GLN   6           H        GLN   6   0.655  10.248  -7.208
   32    HA   GLN   6           HA       GLN   6  -0.946   8.097  -6.180
   33    HB3  GLN   6          2HB       GLN   6   1.474   6.975  -6.347
   34    HG3  GLN   6          2HG       GLN   6  -0.730   7.011  -7.982
   35   HE21  GLN   6          1HE2      GLN   6  -1.194   7.237 -10.120
   36   HE22  GLN   6          2HE2      GLN   6  -0.181   8.080 -11.237
   37    H    CYS   7           H        CYS   7  -0.238   6.691  -4.413
   38    HA   CYS   7           HA       CYS   7   0.636   8.292  -2.140
   39    HB3  CYS   7          2HB       CYS   7  -0.332   6.653  -0.758
   40    H    LYS   8           H        LYS   8   1.418   5.128  -3.581
   41    HA   LYS   8           HA       LYS   8   4.225   5.530  -3.128
   42    HB3  LYS   8          2HB       LYS   8   4.230   3.216  -1.831
   43    HG3  LYS   8          2HG       LYS   8   4.636   5.821  -1.047
   44    HD3  LYS   8          2HD       LYS   8   2.175   5.071   0.065
   45    HE3  LYS   8          2HE       LYS   8   3.755   3.742   1.640
   46    HZ1  LYS   8          1HZ       LYS   8   3.953   6.264   3.114
   47    HZ2  LYS   8          2HZ       LYS   8   5.107   5.954   1.916
   48    HZ3  LYS   8          3HZ       LYS   8   4.921   4.880   3.209
   49    H    LYS   9           H        LYS   9   4.776   5.021  -5.165
   50    HA   LYS   9           HA       LYS   9   3.563   2.802  -6.556
   51    HB3  LYS   9          2HB       LYS   9   4.970   3.461  -8.429
   52    HG3  LYS   9          2HG       LYS   9   4.441   6.188  -7.675
   53    HD3  LYS   9          2HD       LYS   9   2.525   5.582  -9.434
   54    HE3  LYS   9          2HE       LYS   9   5.331   5.561 -10.461
   55    HZ1  LYS   9          1HZ       LYS   9   4.453   7.016 -12.084
   56    HZ2  LYS   9          2HZ       LYS   9   3.019   7.255 -11.218
   57    HZ3  LYS   9          3HZ       LYS   9   3.336   5.755 -11.933
   58    H    ILE  10           H        ILE  10   5.497   1.611  -7.968
   59    HA   ILE  10           HA       ILE  10   6.566  -0.280  -6.194
   60    HB   ILE  10           HB       ILE  10   7.493   0.295  -9.010
   61   HG13  ILE  10          2HG1      ILE  10   5.899  -1.501  -9.648
   62   HG21  ILE  10          1HG2      ILE  10   8.118  -1.785  -7.029
   63   HG22  ILE  10          2HG2      ILE  10   7.760  -2.372  -8.651
   64   HG23  ILE  10          3HG2      ILE  10   9.059  -1.205  -8.403
   65   HD11  ILE  10          1HD1      ILE  10   4.603  -2.639  -8.239
   66   HD12  ILE  10          2HD1      ILE  10   5.738  -2.113  -6.995
   67   HD13  ILE  10          3HD1      ILE  10   4.248  -1.212  -7.266
   68    H    GLY  11           H        GLY  11   8.253  -0.150  -4.876
   69    HA2  GLY  11          2HA       GLY  11  10.623   0.146  -4.571
   70    HA3  GLY  11          3HA       GLY  11  10.553   1.500  -5.688
   71    H    GLU  12           H        GLU  12   7.896   1.720  -3.744
   72    HA   GLU  12           HA       GLU  12   9.147   3.818  -2.160
   73    HB3  GLU  12          2HB       GLU  12   6.773   4.318  -1.489
   74    HG3  GLU  12          2HG       GLU  12   6.198   5.443  -3.414
   75    H    HIS  13           H        HIS  13   8.136   4.027   0.149
   76    HA   HIS  13           HA       HIS  13   8.603   1.452   1.482
   77    HB3  HIS  13          2HB       HIS  13   8.627   4.202   2.736
   78    HD1  HIS  13          1HD       HIS  13   7.769   3.303   4.989
   79    HD2  HIS  13          2HD       HIS  13  11.136   1.332   3.561
   80    HE1  HIS  13          1HE       HIS  13   8.613   1.928   6.919
   81    H    CYS  14           H        CYS  14   7.169   0.608   2.949
   82    HA   CYS  14           HA       CYS  14   4.890   2.019   3.909
   83    HB3  CYS  14          2HB       CYS  14   3.942   1.758   1.757
   84    H    TYR  15           H        TYR  15   3.808   0.897   5.524
   85    HA   TYR  15           HA       TYR  15   5.229  -1.425   6.539
   86    HB3  TYR  15          2HB       TYR  15   3.892  -1.084   8.575
   87    HD1  TYR  15          1HD       TYR  15   6.353  -0.706   8.983
   88    HD2  TYR  15          2HD       TYR  15   3.754   2.396   7.671
   89    HE1  TYR  15          1HE       TYR  15   7.994   0.972   9.719
   90    HE2  TYR  15          2HE       TYR  15   5.387   4.083   8.402
   91    HH   TYR  15           HH       TYR  15   7.831   3.500  10.466
   92    H    VAL  16           H        VAL  16   2.101  -0.587   5.207
   93    HA   VAL  16           HA       VAL  16   1.435  -3.448   5.121
   94    HB   VAL  16           HB       VAL  16  -0.985  -2.792   5.470
   95   HG11  VAL  16          1HG1      VAL  16   1.000  -2.464   7.714
   96   HG12  VAL  16          2HG1      VAL  16  -0.738  -2.652   7.951
   97   HG13  VAL  16          3HG1      VAL  16   0.196  -3.947   7.202
   98   HG21  VAL  16          1HG2      VAL  16  -1.603  -0.690   5.923
   99   HG22  VAL  16          2HG2      VAL  16  -0.251  -0.432   7.026
  100   HG23  VAL  16          3HG2      VAL  16  -0.023  -0.229   5.288
  101    H    ALA  17           H        ALA  17  -0.608  -3.712   3.639
  102    HA   ALA  17           HA       ALA  17   0.151  -2.815   1.054
  103    HB1  ALA  17          1HB       ALA  17  -2.164  -4.378   2.129
  104    HB2  ALA  17          2HB       ALA  17  -2.143  -3.845   0.447
  105    HB3  ALA  17          3HB       ALA  17  -0.866  -4.899   1.054
  106    H    ASP  18           H        ASP  18  -2.479  -1.931   3.258
  107    HA   ASP  18           HA       ASP  18  -3.912  -0.232   1.597
  108    HB3  ASP  18          2HB       ASP  18  -4.589   0.927   3.741
  109    H    GLU  19           H        GLU  19  -0.938   0.329   3.363
  110    HA   GLU  19           HA       GLU  19  -0.844   3.128   3.162
  111    HB3  GLU  19          2HB       GLU  19   1.801   2.278   3.025
  112    HG3  GLU  19          2HG       GLU  19   0.873   3.887   4.646
  113    H    CYS  20           H        CYS  20  -0.046   0.593   0.894
  114    HA   CYS  20           HA       CYS  20   1.144   2.476  -0.982
  115    HB3  CYS  20          2HB       CYS  20   0.773  -0.079  -2.173
  116    H    CYS  21           H        CYS  21   0.069   3.428  -2.582
  117    HA   CYS  21           HA       CYS  21  -2.713   3.276  -2.841
  118    HB3  CYS  21          2HB       CYS  21  -1.639   4.190  -5.305
  119    H    SER  22           H        SER  22  -0.160   1.463  -4.360
  120    HA   SER  22           HA       SER  22  -1.887   0.337  -6.388
  121    HB3  SER  22          2HB       SER  22   0.948  -0.370  -5.594
  122    HG   SER  22           HG       SER  22   0.454  -1.007  -8.085
  123    H    LYS  23           H        LYS  23  -1.109  -0.312  -3.146
  124    HA   LYS  23           HA       LYS  23  -1.725  -1.959  -1.704
  125    HB3  LYS  23          2HB       LYS  23  -3.626  -3.342  -2.242
  126    HG3  LYS  23          2HG       LYS  23  -4.868  -1.365  -3.759
  127    HD3  LYS  23          2HD       LYS  23  -4.586  -1.426  -0.758
  128    HE3  LYS  23          2HE       LYS  23  -7.198  -0.925  -1.940
  129    HZ1  LYS  23          1HZ       LYS  23  -5.617   0.853  -0.182
  130    HZ2  LYS  23          2HZ       LYS  23  -6.400  -0.523   0.413
  131    HZ3  LYS  23          3HZ       LYS  23  -7.299   0.720  -0.300
  132    H    ARG  24           H        ARG  24   0.669  -2.327  -2.949
  133    HA   ARG  24           HA       ARG  24   0.750  -5.250  -3.273
  134    HB3  ARG  24          2HB       ARG  24   2.919  -4.386  -4.718
  135    HG3  ARG  24          2HG       ARG  24   1.661  -4.932  -6.738
  136    HD3  ARG  24          2HD       ARG  24   0.694  -6.862  -4.674
  137    HE   ARG  24           HE       ARG  24   2.198  -7.772  -6.945
  138   HH11  ARG  24          1HH1      ARG  24  -0.947  -6.825  -5.791
  139   HH12  ARG  24          2HH1      ARG  24  -1.804  -7.727  -6.997
  140   HH21  ARG  24          1HH2      ARG  24   1.081  -8.963  -8.536
  141   HH22  ARG  24          2HH2      ARG  24  -0.650  -8.944  -8.558
  142    H    CYS  25           H        CYS  25   1.161  -3.636  -0.907
  143    HA   CYS  25           HA       CYS  25   4.032  -3.633  -0.462
  144    HB3  CYS  25          2HB       CYS  25   1.995  -3.122   1.681
  145    H    LEU  26           H        LEU  26   5.074  -4.855   1.163
  146    HA   LEU  26           HA       LEU  26   3.580  -7.179   2.166
  147    HB3  LEU  26          2HB       LEU  26   6.387  -7.332   1.090
  148    HG   LEU  26           HG       LEU  26   5.480  -9.161   2.690
  149   HD11  LEU  26          1HD1      LEU  26   4.022 -10.752   1.849
  150   HD12  LEU  26          2HD1      LEU  26   4.249 -10.227   0.181
  151   HD13  LEU  26          3HD1      LEU  26   3.309  -9.236   1.295
  152   HD21  LEU  26          1HD2      LEU  26   6.978 -10.613   1.768
  153   HD22  LEU  26          2HD2      LEU  26   7.448  -9.139   0.922
  154   HD23  LEU  26          3HD2      LEU  26   6.416 -10.325   0.121
  155    H    PHE  27           H        PHE  27   4.373  -8.094   4.104
  156    HA   PHE  27           HA       PHE  27   5.419  -6.214   5.943
  157    HB3  PHE  27          2HB       PHE  27   5.627  -8.370   7.401
  158    HD1  PHE  27          1HD       PHE  27   4.285  -7.818   9.165
  159    HD2  PHE  27          2HD       PHE  27   2.711  -7.536   5.221
  160    HE1  PHE  27          1HE       PHE  27   2.139  -7.038  10.082
  161    HE2  PHE  27          2HE       PHE  27   0.563  -6.754   6.131
  162    HZ   PHE  27           HZ       PHE  27   0.274  -6.504   8.564
  163    H    TYR  28           H        TYR  28   6.861  -8.708   3.984
  164    HA   TYR  28           HA       TYR  28   9.396  -8.588   5.386
  165    HB3  TYR  28          2HB       TYR  28  10.139 -10.193   3.618
  166    HD1  TYR  28          1HD       TYR  28  10.436 -11.289   5.803
  167    HD2  TYR  28          2HD       TYR  28   6.650 -11.196   3.864
  168    HE1  TYR  28          1HE       TYR  28   9.640 -13.083   7.286
  169    HE2  TYR  28          2HE       TYR  28   5.843 -12.988   5.343
  170    HH   TYR  28           HH       TYR  28   7.197 -13.822   8.132
  171    H    ALA  29           H        ALA  29   8.188  -7.803   2.130
  172    HA   ALA  29           HA       ALA  29  10.609  -6.618   1.246
  173    HB1  ALA  29          1HB       ALA  29   8.463  -7.479  -0.053
  174    HB2  ALA  29          2HB       ALA  29   8.030  -5.771   0.046
  175    HB3  ALA  29          3HB       ALA  29   9.538  -6.254  -0.730
  176    H    ALA  30           H        ALA  30   7.650  -5.315   2.677
  177    HA   ALA  30           HA       ALA  30   7.178  -3.309   3.644
  178    HB1  ALA  30          1HB       ALA  30   9.807  -2.177   3.865
  179    HB2  ALA  30          2HB       ALA  30   8.727  -2.755   5.134
  180    HB3  ALA  30          3HB       ALA  30   9.831  -3.876   4.336
  181    H    LYS  31           H        LYS  31   8.099  -3.646   0.644
  182    HA   LYS  31           HA       LYS  31   7.745  -0.809   0.027
  183    HB3  LYS  31          2HB       LYS  31  10.050  -2.527  -0.818
  184    HG3  LYS  31          2HG       LYS  31  10.454  -0.419  -2.391
  185    HD3  LYS  31          2HD       LYS  31   9.374  -1.840  -4.253
  186    HE3  LYS  31          2HE       LYS  31  11.373  -3.209  -2.459
  187    HZ1  LYS  31          1HZ       LYS  31  12.238  -3.689  -4.860
  188    HZ2  LYS  31          2HZ       LYS  31  10.616  -3.456  -5.281
  189    HZ3  LYS  31          3HZ       LYS  31  11.037  -4.661  -4.169
  190    H    CYS  32           H        CYS  32   6.548  -0.414  -1.783
  191    HA   CYS  32           HA       CYS  32   4.767  -2.301  -2.722
  192    HB3  CYS  32          2HB       CYS  32   5.185  -0.444  -4.827
  193    H    VAL  33           H        VAL  33   5.167  -4.130  -3.766
  194    HA   VAL  33           HA       VAL  33   7.277  -4.142  -5.825
  195    HB   VAL  33           HB       VAL  33   7.227  -6.691  -5.401
  196   HG11  VAL  33          1HG1      VAL  33   8.483  -5.809  -3.020
  197   HG12  VAL  33          2HG1      VAL  33   9.225  -6.195  -4.574
  198   HG13  VAL  33          3HG1      VAL  33   8.690  -4.549  -4.236
  199   HG21  VAL  33          1HG2      VAL  33   6.555  -6.164  -2.598
  200   HG22  VAL  33          2HG2      VAL  33   5.188  -6.051  -3.708
  201   HG23  VAL  33          3HG2      VAL  33   6.138  -7.535  -3.627
  202    H    SER  34           H        SER  34   6.742  -4.735  -7.842
  203    HA   SER  34           HA       SER  34   4.118  -4.784  -8.725
  204    HB3  SER  34          2HB       SER  34   6.478  -6.107 -10.083
  205    HG   SER  34           HG       SER  34   3.997  -5.110 -11.013
  Start of MODEL   13
    1    H1   SER   1           H        SER   1 -14.473  12.081  -5.722
    2    HA   SER   1           HA       SER   1 -14.862  13.927  -7.231
    3    HB3  SER   1          2HB       SER   1 -15.108  15.840  -6.027
    4    HG   SER   1           HG       SER   1 -14.385  16.026  -4.043
    5    H    GLN   2           H        GLN   2 -13.544  12.389  -8.355
    6    HA   GLN   2           HA       GLN   2 -11.711  11.728  -9.530
    7    HB3  GLN   2          2HB       GLN   2 -10.007  13.990  -9.361
    8    HG3  GLN   2          2HG       GLN   2 -11.264  12.482 -11.352
    9   HE21  GLN   2          1HE2      GLN   2 -12.676  12.824 -12.930
   10   HE22  GLN   2          2HE2      GLN   2 -13.474  14.320 -13.255
   11    H    GLU   3           H        GLU   3  -9.105  11.893  -9.409
   12    HA   GLU   3           HA       GLU   3  -8.035  11.998  -6.757
   13    HB3  GLU   3          2HB       GLU   3  -9.182   9.856  -6.586
   14    HG3  GLU   3          2HG       GLU   3  -7.566   8.261  -8.313
   15    H    GLN   4           H        GLN   4  -5.955  12.528  -6.907
   16    HA   GLN   4           HA       GLN   4  -4.409  11.631  -9.231
   17    HB3  GLN   4          2HB       GLN   4  -3.418  14.151  -8.845
   18    HG3  GLN   4          2HG       GLN   4  -4.332  12.877 -10.965
   19   HE21  GLN   4          1HE2      GLN   4  -5.986  15.946 -10.465
   20   HE22  GLN   4          2HE2      GLN   4  -7.546  15.394 -10.962
   21    H    ARG   5           H        ARG   5  -2.020  12.182  -8.913
   22    HA   ARG   5           HA       ARG   5  -0.097  11.908  -7.729
   23    HB3  ARG   5          2HB       ARG   5  -1.546  12.750  -5.235
   24    HG3  ARG   5          2HG       ARG   5   1.216  13.314  -6.290
   25    HD3  ARG   5          2HD       ARG   5   1.386  14.175  -3.820
   26    HE   ARG   5           HE       ARG   5   0.090  16.185  -5.417
   27   HH11  ARG   5          1HH1      ARG   5   2.995  14.323  -4.951
   28   HH12  ARG   5          2HH1      ARG   5   4.016  15.475  -5.745
   29   HH21  ARG   5          1HH2      ARG   5   1.424  17.709  -6.465
   30   HH22  ARG   5          2HH2      ARG   5   3.122  17.402  -6.605
   31    H    GLN   6           H        GLN   6   0.350   9.788  -7.662
   32    HA   GLN   6           HA       GLN   6  -1.196   7.828  -6.371
   33    HB3  GLN   6          2HB       GLN   6   1.145   6.572  -6.516
   34    HG3  GLN   6          2HG       GLN   6  -1.041   6.710  -8.172
   35   HE21  GLN   6          1HE2      GLN   6  -1.346   8.246  -9.680
   36   HE22  GLN   6          2HE2      GLN   6  -0.325   8.488 -11.052
   37    H    CYS   7           H        CYS   7  -0.426   6.412  -4.588
   38    HA   CYS   7           HA       CYS   7   0.446   8.073  -2.357
   39    HB3  CYS   7          2HB       CYS   7  -0.489   6.453  -0.932
   40    H    LYS   8           H        LYS   8   1.258   4.888  -3.737
   41    HA   LYS   8           HA       LYS   8   4.064   5.339  -3.321
   42    HB3  LYS   8          2HB       LYS   8   4.111   3.053  -1.976
   43    HG3  LYS   8          2HG       LYS   8   4.489   5.680  -1.251
   44    HD3  LYS   8          2HD       LYS   8   2.049   4.932  -0.104
   45    HE3  LYS   8          2HE       LYS   8   3.658   3.635   1.476
   46    HZ1  LYS   8          1HZ       LYS   8   4.298   5.121   3.371
   47    HZ2  LYS   8          2HZ       LYS   8   4.053   6.441   2.342
   48    HZ3  LYS   8          3HZ       LYS   8   5.239   5.292   1.975
   49    H    LYS   9           H        LYS   9   4.607   4.791  -5.349
   50    HA   LYS   9           HA       LYS   9   3.407   2.531  -6.685
   51    HB3  LYS   9          2HB       LYS   9   4.791   3.165  -8.582
   52    HG3  LYS   9          2HG       LYS   9   3.094   5.087  -7.241
   53    HD3  LYS   9          2HD       LYS   9   4.124   6.726  -9.208
   54    HE3  LYS   9          2HE       LYS   9   5.167   7.116  -6.470
   55    HZ1  LYS   9          1HZ       LYS   9   4.869   8.777  -8.444
   56    HZ2  LYS   9          2HZ       LYS   9   4.610   9.280  -6.850
   57    HZ3  LYS   9          3HZ       LYS   9   3.293   8.903  -7.842
   58    H    ILE  10           H        ILE  10   5.398   1.376  -8.100
   59    HA   ILE  10           HA       ILE  10   6.477  -0.486  -6.288
   60    HB   ILE  10           HB       ILE  10   7.381   0.046  -9.120
   61   HG13  ILE  10          2HG1      ILE  10   5.811  -1.789  -9.709
   62   HG21  ILE  10          1HG2      ILE  10   8.051  -1.985  -7.102
   63   HG22  ILE  10          2HG2      ILE  10   7.691  -2.609  -8.712
   64   HG23  ILE  10          3HG2      ILE  10   8.973  -1.417  -8.494
   65   HD11  ILE  10          1HD1      ILE  10   5.674  -2.346  -7.045
   66   HD12  ILE  10          2HD1      ILE  10   4.169  -1.468  -7.325
   67   HD13  ILE  10          3HD1      ILE  10   4.537  -2.911  -8.269
   68    H    GLY  11           H        GLY  11   8.176  -0.322  -4.988
   69    HA2  GLY  11          2HA       GLY  11  10.541   0.012  -4.699
   70    HA3  GLY  11          3HA       GLY  11  10.449   1.344  -5.841
   71    H    GLU  12           H        GLU  12   7.801   1.561  -3.880
   72    HA   GLU  12           HA       GLU  12   9.029   3.711  -2.350
   73    HB3  GLU  12          2HB       GLU  12   6.662   4.197  -1.671
   74    HG3  GLU  12          2HG       GLU  12   6.034   5.242  -3.625
   75    H    HIS  13           H        HIS  13   7.990   3.942  -0.038
   76    HA   HIS  13           HA       HIS  13   8.528   1.404   1.342
   77    HB3  HIS  13          2HB       HIS  13   8.531   4.178   2.539
   78    HD1  HIS  13          1HD       HIS  13   7.695   3.308   4.815
   79    HD2  HIS  13          2HD       HIS  13  11.086   1.365   3.406
   80    HE1  HIS  13          1HE       HIS  13   8.573   1.987   6.767
   81    H    CYS  14           H        CYS  14   7.117   0.565   2.831
   82    HA   CYS  14           HA       CYS  14   4.832   1.966   3.793
   83    HB3  CYS  14          2HB       CYS  14   3.864   1.657   1.656
   84    H    TYR  15           H        TYR  15   3.777   0.858   5.435
   85    HA   TYR  15           HA       TYR  15   5.237  -1.426   6.480
   86    HB3  TYR  15          2HB       TYR  15   3.802  -1.081   8.496
   87    HD1  TYR  15          1HD       TYR  15   3.895   2.407   7.787
   88    HD2  TYR  15          2HD       TYR  15   6.352  -0.908   8.826
   89    HE1  TYR  15          1HE       TYR  15   5.630   3.953   8.595
   90    HE2  TYR  15          2HE       TYR  15   8.093   0.629   9.639
   91    HH   TYR  15           HH       TYR  15   7.598   3.752  10.359
   92    H    VAL  16           H        VAL  16   2.092  -0.659   5.151
   93    HA   VAL  16           HA       VAL  16   1.466  -3.529   5.120
   94    HB   VAL  16           HB       VAL  16  -0.962  -2.899   5.471
   95   HG11  VAL  16          1HG1      VAL  16   1.158  -2.776   7.566
   96   HG12  VAL  16          2HG1      VAL  16  -0.522  -2.480   8.019
   97   HG13  VAL  16          3HG1      VAL  16  -0.065  -4.012   7.272
   98   HG21  VAL  16          1HG2      VAL  16  -0.297  -0.390   5.098
   99   HG22  VAL  16          2HG2      VAL  16  -1.593  -0.817   6.214
  100   HG23  VAL  16          3HG2      VAL  16   0.012  -0.432   6.834
  101    H    ALA  17           H        ALA  17  -0.585  -3.847   3.658
  102    HA   ALA  17           HA       ALA  17   0.144  -2.988   1.053
  103    HB1  ALA  17          1HB       ALA  17  -0.843  -5.085   1.103
  104    HB2  ALA  17          2HB       ALA  17  -2.147  -4.558   2.168
  105    HB3  ALA  17          3HB       ALA  17  -2.134  -4.060   0.476
  106    H    ASP  18           H        ASP  18  -2.479  -2.097   3.261
  107    HA   ASP  18           HA       ASP  18  -3.947  -0.447   1.580
  108    HB3  ASP  18          2HB       ASP  18  -3.536   0.292   4.457
  109    H    GLU  19           H        GLU  19  -0.967   0.185   3.312
  110    HA   GLU  19           HA       GLU  19  -0.911   2.980   3.059
  111    HB3  GLU  19          2HB       GLU  19   1.744   1.978   2.869
  112    HG3  GLU  19          2HG       GLU  19   1.013   3.915   4.216
  113    H    CYS  20           H        CYS  20  -0.100   0.414   0.830
  114    HA   CYS  20           HA       CYS  20   1.049   2.280  -1.090
  115    HB3  CYS  20          2HB       CYS  20   0.707  -0.302  -2.231
  116    H    CYS  21           H        CYS  21  -0.054   3.186  -2.697
  117    HA   CYS  21           HA       CYS  21  -2.835   2.987  -2.930
  118    HB3  CYS  21          2HB       CYS  21  -1.797   3.870  -5.419
  119    H    SER  22           H        SER  22  -0.266   1.186  -4.439
  120    HA   SER  22           HA       SER  22  -1.992  -0.004  -6.431
  121    HB3  SER  22          2HB       SER  22   0.860  -0.656  -5.646
  122    HG   SER  22           HG       SER  22   0.682  -1.505  -7.943
  123    H    LYS  23           H        LYS  23  -1.181  -0.580  -3.182
  124    HA   LYS  23           HA       LYS  23  -1.764  -2.209  -1.705
  125    HB3  LYS  23          2HB       LYS  23  -3.648  -3.630  -2.204
  126    HG3  LYS  23          2HG       LYS  23  -4.929  -1.700  -3.751
  127    HD3  LYS  23          2HD       LYS  23  -4.626  -1.699  -0.751
  128    HE3  LYS  23          2HE       LYS  23  -6.065  -0.034  -2.406
  129    HZ1  LYS  23          1HZ       LYS  23  -7.568  -1.934  -2.881
  130    HZ2  LYS  23          2HZ       LYS  23  -8.342  -0.614  -2.161
  131    HZ3  LYS  23          3HZ       LYS  23  -7.972  -1.983  -1.239
  132    H    ARG  24           H        ARG  24   0.626  -2.565  -2.967
  133    HA   ARG  24           HA       ARG  24   0.748  -5.492  -3.235
  134    HB3  ARG  24          2HB       ARG  24   2.893  -4.624  -4.712
  135    HG3  ARG  24          2HG       ARG  24   1.629  -5.226  -6.712
  136    HD3  ARG  24          2HD       ARG  24   0.644  -7.165  -4.690
  137    HE   ARG  24           HE       ARG  24   2.378  -8.122  -6.720
  138   HH11  ARG  24          1HH1      ARG  24  -0.837  -6.895  -6.188
  139   HH12  ARG  24          2HH1      ARG  24  -1.521  -7.733  -7.540
  140   HH21  ARG  24          1HH2      ARG  24   1.487  -9.231  -8.503
  141   HH22  ARG  24          2HH2      ARG  24  -0.199  -9.062  -8.856
  142    H    CYS  25           H        CYS  25   1.153  -3.830  -0.903
  143    HA   CYS  25           HA       CYS  25   4.027  -3.776  -0.479
  144    HB3  CYS  25          2HB       CYS  25   1.998  -3.254   1.669
  145    H    LEU  26           H        LEU  26   5.097  -4.949   1.164
  146    HA   LEU  26           HA       LEU  26   3.645  -7.275   2.219
  147    HB3  LEU  26          2HB       LEU  26   6.448  -7.406   1.129
  148    HG   LEU  26           HG       LEU  26   5.582  -9.218   2.769
  149   HD11  LEU  26          1HD1      LEU  26   4.141 -10.846   1.971
  150   HD12  LEU  26          2HD1      LEU  26   4.346 -10.351   0.291
  151   HD13  LEU  26          3HD1      LEU  26   3.400  -9.353   1.395
  152   HD21  LEU  26          1HD2      LEU  26   7.097 -10.663   1.866
  153   HD22  LEU  26          2HD2      LEU  26   7.534  -9.200   0.981
  154   HD23  LEU  26          3HD2      LEU  26   6.514 -10.421   0.218
  155    H    PHE  27           H        PHE  27   4.463  -8.141   4.169
  156    HA   PHE  27           HA       PHE  27   5.491  -6.212   5.967
  157    HB3  PHE  27          2HB       PHE  27   5.741  -8.337   7.464
  158    HD1  PHE  27          1HD       PHE  27   4.403  -7.770   9.226
  159    HD2  PHE  27          2HD       PHE  27   2.798  -7.588   5.288
  160    HE1  PHE  27          1HE       PHE  27   2.251  -7.005  10.142
  161    HE2  PHE  27          2HE       PHE  27   0.644  -6.823   6.198
  162    HZ   PHE  27           HZ       PHE  27   0.369  -6.529   8.628
  163    H    TYR  28           H        TYR  28   6.959  -8.724   4.049
  164    HA   TYR  28           HA       TYR  28   9.501  -8.534   5.432
  165    HB3  TYR  28          2HB       TYR  28  10.258 -10.168   3.698
  166    HD1  TYR  28          1HD       TYR  28   6.785 -11.216   3.976
  167    HD2  TYR  28          2HD       TYR  28  10.574 -11.209   5.910
  168    HE1  TYR  28          1HE       TYR  28   6.006 -12.987   5.494
  169    HE2  TYR  28          2HE       TYR  28   9.806 -12.981   7.433
  170    HH   TYR  28           HH       TYR  28   7.397 -14.918   6.935
  171    H    ALA  29           H        ALA  29   8.259  -7.838   2.170
  172    HA   ALA  29           HA       ALA  29  10.654  -6.638   1.239
  173    HB1  ALA  29          1HB       ALA  29   9.601  -6.589  -0.727
  174    HB2  ALA  29          2HB       ALA  29   8.294  -7.451   0.085
  175    HB3  ALA  29          3HB       ALA  29   8.231  -5.695  -0.068
  176    H    ALA  30           H        ALA  30   7.690  -5.345   2.669
  177    HA   ALA  30           HA       ALA  30   7.196  -3.326   3.596
  178    HB1  ALA  30          1HB       ALA  30   8.746  -2.713   5.062
  179    HB2  ALA  30          2HB       ALA  30   9.854  -3.848   4.291
  180    HB3  ALA  30          3HB       ALA  30   9.818  -2.162   3.775
  181    H    LYS  31           H        LYS  31   8.103  -3.712   0.597
  182    HA   LYS  31           HA       LYS  31   7.714  -0.892  -0.075
  183    HB3  LYS  31          2HB       LYS  31  10.032  -2.603  -0.902
  184    HG3  LYS  31          2HG       LYS  31  10.400  -0.522  -2.520
  185    HD3  LYS  31          2HD       LYS  31   9.317  -1.995  -4.342
  186    HE3  LYS  31          2HE       LYS  31  11.138  -3.812  -3.027
  187    HZ1  LYS  31          1HZ       LYS  31  10.711  -3.142  -5.515
  188    HZ2  LYS  31          2HZ       LYS  31  12.226  -3.694  -5.002
  189    HZ3  LYS  31          3HZ       LYS  31  11.953  -2.035  -5.204
  190    H    CYS  32           H        CYS  32   6.494  -0.548  -1.878
  191    HA   CYS  32           HA       CYS  32   4.731  -2.476  -2.767
  192    HB3  CYS  32          2HB       CYS  32   5.107  -0.651  -4.909
  193    H    VAL  33           H        VAL  33   5.150  -4.319  -3.778
  194    HA   VAL  33           HA       VAL  33   7.242  -4.340  -5.856
  195    HB   VAL  33           HB       VAL  33   7.229  -6.882  -5.387
  196   HG11  VAL  33          1HG1      VAL  33   8.490  -5.938  -3.030
  197   HG12  VAL  33          2HG1      VAL  33   9.227  -6.346  -4.580
  198   HG13  VAL  33          3HG1      VAL  33   8.672  -4.700  -4.271
  199   HG21  VAL  33          1HG2      VAL  33   6.165  -7.709  -3.594
  200   HG22  VAL  33          2HG2      VAL  33   6.569  -6.318  -2.588
  201   HG23  VAL  33          3HG2      VAL  33   5.195  -6.238  -3.690
  202    H    SER  34           H        SER  34   6.698  -4.975  -7.857
  203    HA   SER  34           HA       SER  34   4.069  -5.074  -8.720
  204    HB3  SER  34          2HB       SER  34   6.456  -6.372 -10.058
  205    HG   SER  34           HG       SER  34   5.103  -5.635 -11.938
  Start of MODEL   14
    1    H1   SER   1           H        SER   1   3.183  11.981 -14.788
    2    HA   SER   1           HA       SER   1   5.253  13.104 -15.191
    3    HB3  SER   1          2HB       SER   1   4.167  14.977 -17.184
    4    HG   SER   1           HG       SER   1   6.171  14.501 -18.138
    5    H    GLN   2           H        GLN   2   2.348  15.068 -15.861
    6    HA   GLN   2           HA       GLN   2   3.223  17.106 -14.014
    7    HB3  GLN   2          2HB       GLN   2   0.582  17.659 -14.690
    8    HG3  GLN   2          2HG       GLN   2   2.614  19.163 -14.789
    9   HE21  GLN   2          1HE2      GLN   2   1.866  18.685 -18.152
   10   HE22  GLN   2          2HE2      GLN   2   3.485  18.390 -18.678
   11    H    GLU   3           H        GLU   3   0.474  14.851 -14.211
   12    HA   GLU   3           HA       GLU   3  -0.624  15.539 -11.702
   13    HB3  GLU   3          2HB       GLU   3  -1.982  14.419 -13.349
   14    HG3  GLU   3          2HG       GLU   3  -1.364  11.757 -13.315
   15    H    GLN   4           H        GLN   4  -0.513  14.501  -9.704
   16    HA   GLN   4           HA       GLN   4   1.404  12.354  -9.323
   17    HB3  GLN   4          2HB       GLN   4   1.743  14.802  -7.623
   18    HG3  GLN   4          2HG       GLN   4   3.533  12.510  -8.377
   19   HE21  GLN   4          1HE2      GLN   4   3.510  15.135  -5.994
   20   HE22  GLN   4          2HE2      GLN   4   5.149  15.615  -6.252
   21    H    ARG   5           H        ARG   5  -1.126  11.870  -9.018
   22    HA   ARG   5           HA       ARG   5  -1.877  12.346  -6.227
   23    HB3  ARG   5          2HB       ARG   5  -3.643  10.887  -8.141
   24    HG3  ARG   5          2HG       ARG   5  -4.425  13.133  -6.331
   25    HD3  ARG   5          2HD       ARG   5  -6.393  11.305  -6.238
   26    HE   ARG   5           HE       ARG   5  -6.596  12.959  -8.577
   27   HH11  ARG   5          1HH1      ARG   5  -6.620  12.915  -5.096
   28   HH12  ARG   5          2HH1      ARG   5  -7.540  14.375  -4.953
   29   HH21  ARG   5          1HH2      ARG   5  -7.809  14.882  -8.403
   30   HH22  ARG   5          2HH2      ARG   5  -8.217  15.493  -6.836
   31    H    GLN   6           H        GLN   6   0.274  10.597  -6.669
   32    HA   GLN   6           HA       GLN   6  -0.890   7.943  -6.174
   33    HB3  GLN   6          2HB       GLN   6   0.751   8.110  -8.020
   34    HG3  GLN   6          2HG       GLN   6   3.009   8.342  -6.131
   35   HE21  GLN   6          1HE2      GLN   6   4.881   8.937  -7.195
   36   HE22  GLN   6          2HE2      GLN   6   4.999   8.973  -8.918
   37    H    CYS   7           H        CYS   7  -0.295   6.736  -4.373
   38    HA   CYS   7           HA       CYS   7   0.612   8.332  -2.110
   39    HB3  CYS   7          2HB       CYS   7  -0.352   6.699  -0.717
   40    H    LYS   8           H        LYS   8   1.360   5.162  -3.556
   41    HA   LYS   8           HA       LYS   8   4.174   5.547  -3.132
   42    HB3  LYS   8          2HB       LYS   8   4.177   3.233  -1.836
   43    HG3  LYS   8          2HG       LYS   8   4.607   5.835  -1.056
   44    HD3  LYS   8          2HD       LYS   8   2.152   5.101   0.080
   45    HE3  LYS   8          2HE       LYS   8   3.738   3.760   1.640
   46    HZ1  LYS   8          1HZ       LYS   8   4.720   4.982   3.384
   47    HZ2  LYS   8          2HZ       LYS   8   4.030   6.438   2.874
   48    HZ3  LYS   8          3HZ       LYS   8   5.252   5.715   1.956
   49    H    LYS   9           H        LYS   9   4.702   5.034  -5.174
   50    HA   LYS   9           HA       LYS   9   3.461   2.823  -6.554
   51    HB3  LYS   9          2HB       LYS   9   4.852   3.473  -8.442
   52    HG3  LYS   9          2HG       LYS   9   4.350   6.204  -7.680
   53    HD3  LYS   9          2HD       LYS   9   2.456   5.720  -9.433
   54    HE3  LYS   9          2HE       LYS   9   5.418   5.733  -9.928
   55    HZ1  LYS   9          1HZ       LYS   9   3.556   6.318 -12.106
   56    HZ2  LYS   9          2HZ       LYS   9   3.884   4.693 -11.771
   57    HZ3  LYS   9          3HZ       LYS   9   5.146   5.746 -12.170
   58    H    ILE  10           H        ILE  10   5.376   1.622  -7.985
   59    HA   ILE  10           HA       ILE  10   6.451  -0.276  -6.222
   60    HB   ILE  10           HB       ILE  10   7.355   0.293  -9.047
   61   HG13  ILE  10          2HG1      ILE  10   5.742  -1.490  -9.672
   62   HG21  ILE  10          1HG2      ILE  10   7.982  -1.792  -7.071
   63   HG22  ILE  10          2HG2      ILE  10   7.604  -2.376  -8.691
   64   HG23  ILE  10          3HG2      ILE  10   8.913  -1.219  -8.455
   65   HD11  ILE  10          1HD1      ILE  10   4.111  -1.191  -7.277
   66   HD12  ILE  10          2HD1      ILE  10   4.455  -2.621  -8.251
   67   HD13  ILE  10          3HD1      ILE  10   5.600  -2.098  -7.015
   68    H    GLY  11           H        GLY  11   8.150  -0.157  -4.920
   69    HA2  GLY  11          2HA       GLY  11  10.527   0.124  -4.640
   70    HA3  GLY  11          3HA       GLY  11  10.453   1.480  -5.756
   71    H    GLU  12           H        GLU  12   7.817   1.717  -3.787
   72    HA   GLU  12           HA       GLU  12   9.094   3.807  -2.215
   73    HB3  GLU  12          2HB       GLU  12   6.732   4.321  -1.520
   74    HG3  GLU  12          2HG       GLU  12   6.142   5.448  -3.440
   75    H    HIS  13           H        HIS  13   8.104   4.021   0.105
   76    HA   HIS  13           HA       HIS  13   8.572   1.444   1.432
   77    HB3  HIS  13          2HB       HIS  13   8.624   4.193   2.685
   78    HD1  HIS  13          1HD       HIS  13   7.781   3.297   4.948
   79    HD2  HIS  13          2HD       HIS  13  11.125   1.311   3.488
   80    HE1  HIS  13          1HE       HIS  13   8.636   1.918   6.868
   81    H    CYS  14           H        CYS  14   7.148   0.607   2.913
   82    HA   CYS  14           HA       CYS  14   4.886   2.029   3.898
   83    HB3  CYS  14          2HB       CYS  14   3.916   1.777   1.753
   84    H    TYR  15           H        TYR  15   3.814   0.914   5.521
   85    HA   TYR  15           HA       TYR  15   5.231  -1.418   6.521
   86    HB3  TYR  15          2HB       TYR  15   3.931  -1.068   8.572
   87    HD1  TYR  15          1HD       TYR  15   3.790   2.405   7.586
   88    HD2  TYR  15          2HD       TYR  15   6.361  -0.670   9.014
   89    HE1  TYR  15          1HE       TYR  15   5.423   4.105   8.288
   90    HE2  TYR  15          2HE       TYR  15   8.000   1.022   9.722
   91    HH   TYR  15           HH       TYR  15   7.338   4.488   9.357
   92    H    VAL  16           H        VAL  16   2.093  -0.560   5.223
   93    HA   VAL  16           HA       VAL  16   1.409  -3.416   5.141
   94    HB   VAL  16           HB       VAL  16  -1.001  -2.749   5.515
   95   HG11  VAL  16          1HG1      VAL  16   0.981  -2.390   7.760
   96   HG12  VAL  16          2HG1      VAL  16  -0.751  -2.647   7.979
   97   HG13  VAL  16          3HG1      VAL  16   0.240  -3.900   7.230
   98   HG21  VAL  16          1HG2      VAL  16  -0.282  -0.244   5.171
   99   HG22  VAL  16          2HG2      VAL  16  -1.600  -0.664   6.265
  100   HG23  VAL  16          3HG2      VAL  16   0.004  -0.315   6.910
  101    H    ALA  17           H        ALA  17  -0.648  -3.667   3.678
  102    HA   ALA  17           HA       ALA  17   0.090  -2.775   1.087
  103    HB1  ALA  17          1HB       ALA  17  -0.936  -4.850   1.088
  104    HB2  ALA  17          2HB       ALA  17  -2.217  -4.331   2.185
  105    HB3  ALA  17          3HB       ALA  17  -2.220  -3.788   0.506
  106    H    ASP  18           H        ASP  18  -2.511  -1.875   3.317
  107    HA   ASP  18           HA       ASP  18  -3.951  -0.168   1.671
  108    HB3  ASP  18          2HB       ASP  18  -4.726   0.920   3.746
  109    H    GLU  19           H        GLU  19  -0.955   0.376   3.408
  110    HA   GLU  19           HA       GLU  19  -0.847   3.174   3.205
  111    HB3  GLU  19          2HB       GLU  19   1.791   2.186   3.005
  112    HG3  GLU  19          2HG       GLU  19   0.742   3.984   4.535
  113    H    CYS  20           H        CYS  20  -0.088   0.635   0.929
  114    HA   CYS  20           HA       CYS  20   1.095   2.511  -0.958
  115    HB3  CYS  20          2HB       CYS  20   0.697  -0.041  -2.147
  116    H    CYS  21           H        CYS  21   0.009   3.469  -2.548
  117    HA   CYS  21           HA       CYS  21  -2.776   3.334  -2.778
  118    HB3  CYS  21          2HB       CYS  21  -1.726   4.242  -5.252
  119    H    SER  22           H        SER  22  -0.249   1.506  -4.324
  120    HA   SER  22           HA       SER  22  -2.004   0.391  -6.334
  121    HB3  SER  22          2HB       SER  22   0.816  -0.413  -5.577
  122    HG   SER  22           HG       SER  22   0.367  -1.945  -6.946
  123    H    LYS  23           H        LYS  23  -1.197  -0.262  -3.099
  124    HA   LYS  23           HA       LYS  23  -1.808  -1.907  -1.651
  125    HB3  LYS  23          2HB       LYS  23  -3.723  -3.279  -2.171
  126    HG3  LYS  23          2HG       LYS  23  -4.967  -1.293  -3.676
  127    HD3  LYS  23          2HD       LYS  23  -4.657  -1.359  -0.678
  128    HE3  LYS  23          2HE       LYS  23  -7.005  -0.569  -2.396
  129    HZ1  LYS  23          1HZ       LYS  23  -7.948  -0.985  -0.393
  130    HZ2  LYS  23          2HZ       LYS  23  -7.419   0.591  -0.080
  131    HZ3  LYS  23          3HZ       LYS  23  -6.521  -0.729   0.480
  132    H    ARG  24           H        ARG  24   0.571  -2.288  -2.920
  133    HA   ARG  24           HA       ARG  24   0.632  -5.213  -3.246
  134    HB3  ARG  24          2HB       ARG  24   2.791  -4.361  -4.712
  135    HG3  ARG  24          2HG       ARG  24   1.510  -4.899  -6.720
  136    HD3  ARG  24          2HD       ARG  24   0.364  -6.947  -5.017
  137    HE   ARG  24           HE       ARG  24   2.710  -7.566  -6.540
  138   HH11  ARG  24          1HH1      ARG  24  -0.701  -6.899  -6.720
  139   HH12  ARG  24          2HH1      ARG  24  -0.921  -7.753  -8.212
  140   HH21  ARG  24          1HH2      ARG  24   2.434  -8.692  -8.504
  141   HH22  ARG  24          2HH2      ARG  24   0.862  -8.773  -9.225
  142    H    CYS  25           H        CYS  25   1.077  -3.602  -0.884
  143    HA   CYS  25           HA       CYS  25   3.951  -3.616  -0.467
  144    HB3  CYS  25          2HB       CYS  25   1.939  -3.092   1.696
  145    H    LEU  26           H        LEU  26   5.002  -4.842   1.148
  146    HA   LEU  26           HA       LEU  26   3.506  -7.158   2.164
  147    HB3  LEU  26          2HB       LEU  26   6.302  -7.326   1.062
  148    HG   LEU  26           HG       LEU  26   5.402  -9.151   2.672
  149   HD11  LEU  26          1HD1      LEU  26   3.926 -10.734   1.845
  150   HD12  LEU  26          2HD1      LEU  26   4.137 -10.208   0.175
  151   HD13  LEU  26          3HD1      LEU  26   3.214  -9.215   1.301
  152   HD21  LEU  26          1HD2      LEU  26   6.882 -10.610   1.735
  153   HD22  LEU  26          2HD2      LEU  26   7.351  -9.139   0.882
  154   HD23  LEU  26          3HD2      LEU  26   6.303 -10.321   0.094
  155    H    PHE  27           H        PHE  27   4.311  -8.077   4.095
  156    HA   PHE  27           HA       PHE  27   5.386  -6.204   5.925
  157    HB3  PHE  27          2HB       PHE  27   5.593  -8.356   7.384
  158    HD1  PHE  27          1HD       PHE  27   2.665  -7.527   5.218
  159    HD2  PHE  27          2HD       PHE  27   4.262  -7.792   9.154
  160    HE1  PHE  27          1HE       PHE  27   0.523  -6.740   6.136
  161    HE2  PHE  27          2HE       PHE  27   2.122  -7.006  10.079
  162    HZ   PHE  27           HZ       PHE  27   0.249  -6.480   8.570
  163    H    TYR  28           H        TYR  28   6.794  -8.705   3.952
  164    HA   TYR  28           HA       TYR  28   9.344  -8.599   5.330
  165    HB3  TYR  28          2HB       TYR  28  10.061 -10.210   3.557
  166    HD1  TYR  28          1HD       TYR  28  10.370 -11.306   5.741
  167    HD2  TYR  28          2HD       TYR  28   6.570 -11.193   3.833
  168    HE1  TYR  28          1HE       TYR  28   9.576 -13.093   7.233
  169    HE2  TYR  28          2HE       TYR  28   5.763 -12.980   5.320
  170    HH   TYR  28           HH       TYR  28   6.357 -13.868   7.620
  171    H    ALA  29           H        ALA  29   8.108  -7.808   2.087
  172    HA   ALA  29           HA       ALA  29  10.525  -6.639   1.176
  173    HB1  ALA  29          1HB       ALA  29   8.649  -7.526  -0.256
  174    HB2  ALA  29          2HB       ALA  29   7.775  -6.038   0.115
  175    HB3  ALA  29          3HB       ALA  29   9.314  -5.967  -0.743
  176    H    ALA  30           H        ALA  30   7.591  -5.316   2.639
  177    HA   ALA  30           HA       ALA  30   7.140  -3.308   3.610
  178    HB1  ALA  30          1HB       ALA  30   9.778  -2.191   3.804
  179    HB2  ALA  30          2HB       ALA  30   8.708  -2.765   5.084
  180    HB3  ALA  30          3HB       ALA  30   9.798  -3.892   4.273
  181    H    LYS  31           H        LYS  31   8.029  -3.651   0.600
  182    HA   LYS  31           HA       LYS  31   7.687  -0.812  -0.014
  183    HB3  LYS  31          2HB       LYS  31   9.974  -2.544  -0.882
  184    HG3  LYS  31          2HG       LYS  31  10.374  -0.438  -2.459
  185    HD3  LYS  31          2HD       LYS  31   9.271  -1.853  -4.310
  186    HE3  LYS  31          2HE       LYS  31  11.655  -2.166  -2.822
  187    HZ1  LYS  31          1HZ       LYS  31  10.277  -4.433  -2.460
  188    HZ2  LYS  31          2HZ       LYS  31  11.965  -4.347  -2.510
  189    HZ3  LYS  31          3HZ       LYS  31  11.099  -4.792  -3.894
  190    H    CYS  32           H        CYS  32   6.475  -0.410  -1.812
  191    HA   CYS  32           HA       CYS  32   4.673  -2.287  -2.733
  192    HB3  CYS  32          2HB       CYS  32   5.082  -0.432  -4.842
  193    H    VAL  33           H        VAL  33   5.050  -4.116  -3.783
  194    HA   VAL  33           HA       VAL  33   7.141  -4.141  -5.863
  195    HB   VAL  33           HB       VAL  33   7.077  -6.691  -5.439
  196   HG11  VAL  33          1HG1      VAL  33   8.568  -4.559  -4.292
  197   HG12  VAL  33          2HG1      VAL  33   8.365  -5.818  -3.071
  198   HG13  VAL  33          3HG1      VAL  33   9.086  -6.210  -4.631
  199   HG21  VAL  33          1HG2      VAL  33   6.003  -7.527  -3.655
  200   HG22  VAL  33          2HG2      VAL  33   6.436  -6.160  -2.628
  201   HG23  VAL  33          3HG2      VAL  33   5.061  -6.039  -3.726
  202    H    SER  34           H        SER  34   6.583  -4.729  -7.874
  203    HA   SER  34           HA       SER  34   3.950  -4.761  -8.733
  204    HB3  SER  34          2HB       SER  34   6.350  -6.032 -10.076
  205    HG   SER  34           HG       SER  34   3.950  -5.062 -11.236
  Start of MODEL   15
    1    H1   SER   1           H        SER   1  -5.183   4.997 -18.557
    2    HA   SER   1           HA       SER   1  -5.089   7.576 -19.550
    3    HB3  SER   1          2HB       SER   1  -7.591   6.768 -18.161
    4    HG   SER   1           HG       SER   1  -7.460   8.502 -19.695
    5    H    GLN   2           H        GLN   2  -6.296   6.607 -16.335
    6    HA   GLN   2           HA       GLN   2  -5.768   9.351 -15.411
    7    HB3  GLN   2          2HB       GLN   2  -7.342   7.815 -13.558
    8    HG3  GLN   2          2HG       GLN   2  -7.484  10.382 -14.944
    9   HE21  GLN   2          1HE2      GLN   2  -9.987   8.967 -12.932
   10   HE22  GLN   2          2HE2      GLN   2 -11.300   9.299 -14.006
   11    H    GLU   3           H        GLU   3  -3.747   9.345 -14.601
   12    HA   GLU   3           HA       GLU   3  -3.187   7.438 -12.435
   13    HB3  GLU   3          2HB       GLU   3  -1.942   6.679 -14.375
   14    HG3  GLU   3          2HG       GLU   3  -0.504   9.315 -14.412
   15    H    GLN   4           H        GLN   4  -4.223   9.967 -12.029
   16    HA   GLN   4           HA       GLN   4  -1.958  11.655 -11.269
   17    HB3  GLN   4          2HB       GLN   4  -3.990  13.201 -10.606
   18    HG3  GLN   4          2HG       GLN   4  -4.260  13.844 -13.075
   19   HE21  GLN   4          1HE2      GLN   4  -3.423  15.792 -13.082
   20   HE22  GLN   4          2HE2      GLN   4  -1.900  16.254 -12.410
   21    H    ARG   5           H        ARG   5  -1.622  12.369  -9.159
   22    HA   ARG   5           HA       ARG   5  -1.546  12.225  -6.891
   23    HB3  ARG   5          2HB       ARG   5  -4.318  11.067  -6.902
   24    HG3  ARG   5          2HG       ARG   5  -2.922  13.032  -5.099
   25    HD3  ARG   5          2HD       ARG   5  -5.326  12.062  -3.984
   26    HE   ARG   5           HE       ARG   5  -4.106  14.502  -4.173
   27   HH11  ARG   5          1HH1      ARG   5  -7.357  13.320  -4.566
   28   HH12  ARG   5          2HH1      ARG   5  -8.095  14.800  -4.051
   29   HH21  ARG   5          1HH2      ARG   5  -5.067  16.456  -3.493
   30   HH22  ARG   5          2HH2      ARG   5  -6.793  16.583  -3.441
   31    H    GLN   6           H        GLN   6  -0.097  10.703  -6.363
   32    HA   GLN   6           HA       GLN   6  -1.048   7.922  -6.180
   33    HB3  GLN   6          2HB       GLN   6   0.602   8.267  -8.017
   34    HG3  GLN   6          2HG       GLN   6   2.874   8.396  -6.180
   35   HE21  GLN   6          1HE2      GLN   6   4.542   8.367  -7.487
   36   HE22  GLN   6          2HE2      GLN   6   4.611   9.039  -9.078
   37    H    CYS   7           H        CYS   7  -0.469   6.748  -4.374
   38    HA   CYS   7           HA       CYS   7   0.404   8.345  -2.099
   39    HB3  CYS   7          2HB       CYS   7  -0.539   6.690  -0.720
   40    H    LYS   8           H        LYS   8   1.206   5.195  -3.561
   41    HA   LYS   8           HA       LYS   8   4.013   5.621  -3.124
   42    HB3  LYS   8          2HB       LYS   8   4.046   3.300  -1.840
   43    HG3  LYS   8          2HG       LYS   8   4.434   5.904  -1.045
   44    HD3  LYS   8          2HD       LYS   8   1.987   5.129   0.078
   45    HE3  LYS   8          2HE       LYS   8   3.589   3.801   1.635
   46    HZ1  LYS   8          1HZ       LYS   8   5.076   5.764   1.975
   47    HZ2  LYS   8          2HZ       LYS   8   4.533   5.031   3.400
   48    HZ3  LYS   8          3HZ       LYS   8   3.837   6.482   2.877
   49    H    LYS   9           H        LYS   9   4.555   5.127  -5.167
   50    HA   LYS   9           HA       LYS   9   3.352   2.906  -6.563
   51    HB3  LYS   9          2HB       LYS   9   4.744   3.586  -8.441
   52    HG3  LYS   9          2HG       LYS   9   4.193   6.304  -7.670
   53    HD3  LYS   9          2HD       LYS   9   2.289   5.735  -9.425
   54    HE3  LYS   9          2HE       LYS   9   5.038   6.542  -9.590
   55    HZ1  LYS   9          1HZ       LYS   9   4.388   5.784 -12.247
   56    HZ2  LYS   9          2HZ       LYS   9   4.523   4.415 -11.262
   57    HZ3  LYS   9          3HZ       LYS   9   5.811   5.506 -11.376
   58    H    ILE  10           H        ILE  10   5.298   1.746  -7.996
   59    HA   ILE  10           HA       ILE  10   6.391  -0.147  -6.237
   60    HB   ILE  10           HB       ILE  10   7.297   0.451  -9.055
   61   HG13  ILE  10          2HG1      ILE  10   5.715  -1.354  -9.696
   62   HG21  ILE  10          1HG2      ILE  10   7.590  -2.214  -8.716
   63   HG22  ILE  10          2HG2      ILE  10   8.878  -1.037  -8.466
   64   HG23  ILE  10          3HG2      ILE  10   7.952  -1.634  -7.091
   65   HD11  ILE  10          1HD1      ILE  10   4.436  -2.510  -8.287
   66   HD12  ILE  10          2HD1      ILE  10   5.574  -1.982  -7.046
   67   HD13  ILE  10          3HD1      ILE  10   4.074  -1.092  -7.303
   68    H    GLY  11           H        GLY  11   8.085  -0.013  -4.930
   69    HA2  GLY  11          2HA       GLY  11  10.454   0.304  -4.637
   70    HA3  GLY  11          3HA       GLY  11  10.366   1.665  -5.746
   71    H    GLU  12           H        GLU  12   7.719   1.848  -3.784
   72    HA   GLU  12           HA       GLU  12   8.958   3.950  -2.197
   73    HB3  GLU  12          2HB       GLU  12   6.586   4.423  -1.508
   74    HG3  GLU  12          2HG       GLU  12   5.983   5.549  -3.425
   75    H    HIS  13           H        HIS  13   7.952   4.134   0.120
   76    HA   HIS  13           HA       HIS  13   8.456   1.557   1.436
   77    HB3  HIS  13          2HB       HIS  13   8.464   4.300   2.704
   78    HD1  HIS  13          1HD       HIS  13   7.626   3.379   4.957
   79    HD2  HIS  13          2HD       HIS  13  11.004   1.451   3.498
   80    HE1  HIS  13          1HE       HIS  13   8.495   2.002   6.874
   81    H    CYS  14           H        CYS  14   7.039   0.691   2.905
   82    HA   CYS  14           HA       CYS  14   4.754   2.074   3.890
   83    HB3  CYS  14          2HB       CYS  14   3.793   1.819   1.742
   84    H    TYR  15           H        TYR  15   3.693   0.933   5.504
   85    HA   TYR  15           HA       TYR  15   5.141  -1.382   6.496
   86    HB3  TYR  15          2HB       TYR  15   3.587  -1.074   8.489
   87    HD1  TYR  15          1HD       TYR  15   6.149  -1.203   8.891
   88    HD2  TYR  15          2HD       TYR  15   4.071   2.408   8.030
   89    HE1  TYR  15          1HE       TYR  15   8.003   0.088   9.863
   90    HE2  TYR  15          2HE       TYR  15   5.919   3.710   8.999
   91    HH   TYR  15           HH       TYR  15   7.869   2.986  10.918
   92    H    VAL  16           H        VAL  16   1.998  -0.565   5.187
   93    HA   VAL  16           HA       VAL  16   1.357  -3.432   5.088
   94    HB   VAL  16           HB       VAL  16  -1.068  -2.794   5.452
   95   HG11  VAL  16          1HG1      VAL  16   1.035  -2.688   7.576
   96   HG12  VAL  16          2HG1      VAL  16  -0.666  -2.483   7.997
   97   HG13  VAL  16          3HG1      VAL  16  -0.123  -3.966   7.210
   98   HG21  VAL  16          1HG2      VAL  16  -1.679  -0.731   6.282
   99   HG22  VAL  16          2HG2      VAL  16  -0.052  -0.359   6.854
  100   HG23  VAL  16          3HG2      VAL  16  -0.418  -0.287   5.130
  101    H    ALA  17           H        ALA  17  -0.692  -3.705   3.616
  102    HA   ALA  17           HA       ALA  17   0.043  -2.787   1.033
  103    HB1  ALA  17          1HB       ALA  17  -0.953  -4.876   1.017
  104    HB2  ALA  17          2HB       ALA  17  -2.244  -4.383   2.113
  105    HB3  ALA  17          3HB       ALA  17  -2.250  -3.831   0.439
  106    H    ASP  18           H        ASP  18  -2.580  -1.939   3.258
  107    HA   ASP  18           HA       ASP  18  -4.040  -0.245   1.617
  108    HB3  ASP  18          2HB       ASP  18  -4.068   0.911   4.192
  109    H    GLU  19           H        GLU  19  -1.060   0.334   3.368
  110    HA   GLU  19           HA       GLU  19  -0.994   3.135   3.182
  111    HB3  GLU  19          2HB       GLU  19   1.659   2.142   2.976
  112    HG3  GLU  19          2HG       GLU  19  -0.029   3.273   5.149
  113    H    CYS  20           H        CYS  20  -0.186   0.620   0.894
  114    HA   CYS  20           HA       CYS  20   0.974   2.526  -0.978
  115    HB3  CYS  20          2HB       CYS  20   0.620  -0.025  -2.182
  116    H    CYS  21           H        CYS  21  -0.121   3.477  -2.565
  117    HA   CYS  21           HA       CYS  21  -2.902   3.300  -2.807
  118    HB3  CYS  21          2HB       CYS  21  -1.854   4.239  -5.271
  119    H    SER  22           H        SER  22  -0.341   1.522  -4.354
  120    HA   SER  22           HA       SER  22  -2.071   0.392  -6.379
  121    HB3  SER  22          2HB       SER  22   0.586  -0.817  -5.792
  122    HG   SER  22           HG       SER  22   0.636  -0.478  -8.160
  123    H    LYS  23           H        LYS  23  -1.266  -0.269  -3.144
  124    HA   LYS  23           HA       LYS  23  -1.859  -1.931  -1.709
  125    HB3  LYS  23          2HB       LYS  23  -3.751  -3.329  -2.245
  126    HG3  LYS  23          2HG       LYS  23  -5.019  -1.353  -3.743
  127    HD3  LYS  23          2HD       LYS  23  -4.720  -1.428  -0.744
  128    HE3  LYS  23          2HE       LYS  23  -6.141   0.292  -2.347
  129    HZ1  LYS  23          1HZ       LYS  23  -7.735  -2.077  -1.861
  130    HZ2  LYS  23          2HZ       LYS  23  -7.922  -0.868  -3.027
  131    HZ3  LYS  23          3HZ       LYS  23  -8.483  -0.615  -1.452
  132    H    ARG  24           H        ARG  24   0.530  -2.269  -2.969
  133    HA   ARG  24           HA       ARG  24   0.638  -5.190  -3.312
  134    HB3  ARG  24          2HB       ARG  24   2.789  -4.297  -4.766
  135    HG3  ARG  24          2HG       ARG  24   1.524  -4.844  -6.780
  136    HD3  ARG  24          2HD       ARG  24   0.589  -6.793  -4.718
  137    HE   ARG  24           HE       ARG  24   1.315  -6.961  -7.492
  138   HH11  ARG  24          1HH1      ARG  24   1.006  -8.720  -4.505
  139   HH12  ARG  24          2HH1      ARG  24   0.815 -10.258  -5.279
  140   HH21  ARG  24          1HH2      ARG  24   1.066  -8.980  -8.523
  141   HH22  ARG  24          2HH2      ARG  24   0.850 -10.405  -7.564
  142    H    CYS  25           H        CYS  25   1.048  -3.587  -0.939
  143    HA   CYS  25           HA       CYS  25   3.922  -3.559  -0.512
  144    HB3  CYS  25          2HB       CYS  25   1.894  -3.079   1.647
  145    H    LEU  26           H        LEU  26   4.985  -4.778   1.100
  146    HA   LEU  26           HA       LEU  26   3.520  -7.123   2.097
  147    HB3  LEU  26          2HB       LEU  26   6.322  -7.242   1.005
  148    HG   LEU  26           HG       LEU  26   5.445  -9.089   2.601
  149   HD11  LEU  26          1HD1      LEU  26   3.997 -10.691   1.759
  150   HD12  LEU  26          2HD1      LEU  26   4.206 -10.152   0.093
  151   HD13  LEU  26          3HD1      LEU  26   3.264  -9.180   1.222
  152   HD21  LEU  26          1HD2      LEU  26   7.400  -9.037   0.819
  153   HD22  LEU  26          2HD2      LEU  26   6.375 -10.229   0.019
  154   HD23  LEU  26          3HD2      LEU  26   6.951 -10.521   1.661
  155    H    PHE  27           H        PHE  27   4.332  -8.041   4.026
  156    HA   PHE  27           HA       PHE  27   5.370  -6.162   5.871
  157    HB3  PHE  27          2HB       PHE  27   5.605  -8.318   7.320
  158    HD1  PHE  27          1HD       PHE  27   4.248  -7.813   9.086
  159    HD2  PHE  27          2HD       PHE  27   2.682  -7.499   5.140
  160    HE1  PHE  27          1HE       PHE  27   2.090  -7.067  10.005
  161    HE2  PHE  27          2HE       PHE  27   0.523  -6.753   6.053
  162    HZ   PHE  27           HZ       PHE  27   0.225  -6.535   8.488
  163    H    TYR  28           H        TYR  28   6.825  -8.632   3.890
  164    HA   TYR  28           HA       TYR  28   9.367  -8.493   5.279
  165    HB3  TYR  28          2HB       TYR  28  10.116 -10.083   3.500
  166    HD1  TYR  28          1HD       TYR  28  10.433 -11.188   5.679
  167    HD2  TYR  28          2HD       TYR  28   6.637 -11.120   3.756
  168    HE1  TYR  28          1HE       TYR  28   9.659 -12.995   7.156
  169    HE2  TYR  28          2HE       TYR  28   5.853 -12.928   5.229
  170    HH   TYR  28           HH       TYR  28   7.692 -13.997   7.967
  171    H    ALA  29           H        ALA  29   8.132  -7.703   2.035
  172    HA   ALA  29           HA       ALA  29  10.535  -6.493   1.139
  173    HB1  ALA  29          1HB       ALA  29   9.487  -6.390  -0.827
  174    HB2  ALA  29          2HB       ALA  29   8.171  -7.262  -0.039
  175    HB3  ALA  29          3HB       ALA  29   8.122  -5.503  -0.149
  176    H    ALA  30           H        ALA  30   7.575  -5.224   2.598
  177    HA   ALA  30           HA       ALA  30   7.090  -3.227   3.579
  178    HB1  ALA  30          1HB       ALA  30   9.712  -2.073   3.789
  179    HB2  ALA  30          2HB       ALA  30   8.644  -2.667   5.061
  180    HB3  ALA  30          3HB       ALA  30   9.752  -3.775   4.251
  181    H    LYS  31           H        LYS  31   7.995  -3.539   0.571
  182    HA   LYS  31           HA       LYS  31   7.614  -0.703  -0.029
  183    HB3  LYS  31          2HB       LYS  31   9.928  -2.396  -0.898
  184    HG3  LYS  31          2HG       LYS  31  10.305  -0.275  -2.462
  185    HD3  LYS  31          2HD       LYS  31   9.226  -1.695  -4.324
  186    HE3  LYS  31          2HE       LYS  31  11.654  -1.787  -3.172
  187    HZ1  LYS  31          1HZ       LYS  31  10.302  -4.242  -2.419
  188    HZ2  LYS  31          2HZ       LYS  31  11.641  -3.483  -1.717
  189    HZ3  LYS  31          3HZ       LYS  31  11.837  -4.437  -3.101
  190    H    CYS  32           H        CYS  32   6.402  -0.309  -1.829
  191    HA   CYS  32           HA       CYS  32   4.632  -2.207  -2.767
  192    HB3  CYS  32          2HB       CYS  32   5.020  -0.334  -4.864
  193    H    VAL  33           H        VAL  33   5.042  -4.025  -3.825
  194    HA   VAL  33           HA       VAL  33   7.140  -4.006  -5.898
  195    HB   VAL  33           HB       VAL  33   7.113  -6.558  -5.489
  196   HG11  VAL  33          1HG1      VAL  33   8.567  -4.412  -4.325
  197   HG12  VAL  33          2HG1      VAL  33   8.378  -5.678  -3.111
  198   HG13  VAL  33          3HG1      VAL  33   9.112  -6.052  -4.671
  199   HG21  VAL  33          1HG2      VAL  33   6.454  -6.053  -2.679
  200   HG22  VAL  33          2HG2      VAL  33   5.081  -5.947  -3.780
  201   HG23  VAL  33          3HG2      VAL  33   6.045  -7.422  -3.714
  202    H    SER  34           H        SER  34   6.597  -4.590  -7.915
  203    HA   SER  34           HA       SER  34   3.968  -4.658  -8.783
  204    HB3  SER  34          2HB       SER  34   6.401  -5.869 -10.120
  205    HG   SER  34           HG       SER  34   5.183  -5.626 -12.013
  Start of MODEL   16
    1    H1   SER   1           H        SER   1  -2.925  19.092 -17.021
    2    HA   SER   1           HA       SER   1  -4.137  20.698 -15.641
    3    HB3  SER   1          2HB       SER   1  -6.529  19.751 -17.239
    4    HG   SER   1           HG       SER   1  -7.477  20.528 -15.521
    5    H    GLN   2           H        GLN   2  -5.505  17.598 -16.714
    6    HA   GLN   2           HA       GLN   2  -6.329  16.888 -14.049
    7    HB3  GLN   2          2HB       GLN   2  -6.836  14.661 -15.145
    8    HG3  GLN   2          2HG       GLN   2  -8.080  16.831 -16.772
    9   HE21  GLN   2          1HE2      GLN   2  -9.032  14.436 -14.337
   10   HE22  GLN   2          2HE2      GLN   2 -10.141  13.588 -15.355
   11    H    GLU   3           H        GLU   3  -4.707  16.567 -12.636
   12    HA   GLU   3           HA       GLU   3  -2.824  14.410 -13.231
   13    HB3  GLU   3          2HB       GLU   3  -1.559  16.396 -13.755
   14    HG3  GLU   3          2HG       GLU   3  -2.264  17.382 -11.000
   15    H    GLN   4           H        GLN   4  -2.397  13.108 -11.524
   16    HA   GLN   4           HA       GLN   4  -3.191  13.989  -8.846
   17    HB3  GLN   4          2HB       GLN   4  -4.207  11.673  -8.513
   18    HG3  GLN   4          2HG       GLN   4  -5.377  13.971  -9.816
   19   HE21  GLN   4          1HE2      GLN   4  -6.192  13.858 -11.798
   20   HE22  GLN   4          2HE2      GLN   4  -7.261  12.630 -12.373
   21    H    ARG   5           H        ARG   5  -1.770  13.435  -7.315
   22    HA   ARG   5           HA       ARG   5   0.541  11.856  -8.088
   23    HB3  ARG   5          2HB       ARG   5   0.187  12.990  -5.346
   24    HG3  ARG   5          2HG       ARG   5   2.371  12.042  -6.923
   25    HD3  ARG   5          2HD       ARG   5   3.914  13.956  -6.250
   26    HE   ARG   5           HE       ARG   5   2.549  13.633  -8.620
   27   HH11  ARG   5          1HH1      ARG   5   3.918  16.284  -6.827
   28   HH12  ARG   5          2HH1      ARG   5   4.266  17.230  -8.238
   29   HH21  ARG   5          1HH2      ARG   5   3.000  14.868 -10.484
   30   HH22  ARG   5          2HH2      ARG   5   3.742  16.424 -10.316
   31    H    GLN   6           H        GLN   6   0.799   9.777  -7.620
   32    HA   GLN   6           HA       GLN   6  -1.185   8.281  -6.271
   33    HB3  GLN   6          2HB       GLN   6   0.974   6.611  -6.309
   34    HG3  GLN   6          2HG       GLN   6  -1.041   5.984  -7.389
   35   HE21  GLN   6          1HE2      GLN   6  -2.771   7.217  -7.773
   36   HE22  GLN   6          2HE2      GLN   6  -2.948   8.284  -9.119
   37    H    CYS   7           H        CYS   7  -0.379   6.618  -4.521
   38    HA   CYS   7           HA       CYS   7   0.527   8.240  -2.277
   39    HB3  CYS   7          2HB       CYS   7  -0.433   6.623  -0.866
   40    H    LYS   8           H        LYS   8   1.280   5.057  -3.691
   41    HA   LYS   8           HA       LYS   8   4.094   5.452  -3.276
   42    HB3  LYS   8          2HB       LYS   8   4.103   3.152  -1.953
   43    HG3  LYS   8          2HG       LYS   8   4.531   5.765  -1.205
   44    HD3  LYS   8          2HD       LYS   8   2.081   5.047  -0.057
   45    HE3  LYS   8          2HE       LYS   8   3.673   3.709   1.506
   46    HZ1  LYS   8          1HZ       LYS   8   5.067   4.838   2.788
   47    HZ2  LYS   8          2HZ       LYS   8   3.886   5.969   3.222
   48    HZ3  LYS   8          3HZ       LYS   8   4.793   6.194   1.812
   49    H    LYS   9           H        LYS   9   4.624   4.913  -5.310
   50    HA   LYS   9           HA       LYS   9   3.381   2.690  -6.666
   51    HB3  LYS   9          2HB       LYS   9   4.769   3.317  -8.560
   52    HG3  LYS   9          2HG       LYS   9   3.108   5.252  -7.197
   53    HD3  LYS   9          2HD       LYS   9   4.178   6.903  -9.134
   54    HE3  LYS   9          2HE       LYS   9   5.221   7.255  -6.396
   55    HZ1  LYS   9          1HZ       LYS   9   4.095   9.409  -6.689
   56    HZ2  LYS   9          2HZ       LYS   9   3.553   8.909  -8.212
   57    HZ3  LYS   9          3HZ       LYS   9   5.209   9.087  -7.921
   58    H    ILE  10           H        ILE  10   5.349   1.516  -8.097
   59    HA   ILE  10           HA       ILE  10   6.398  -0.385  -6.307
   60    HB   ILE  10           HB       ILE  10   7.306   0.160  -9.135
   61   HG13  ILE  10          2HG1      ILE  10   5.703  -1.641  -9.741
   62   HG21  ILE  10          1HG2      ILE  10   8.874  -1.334  -8.524
   63   HG22  ILE  10          2HG2      ILE  10   7.941  -1.903  -7.141
   64   HG23  ILE  10          3HG2      ILE  10   7.573  -2.502  -8.758
   65   HD11  ILE  10          1HD1      ILE  10   4.411  -2.754  -8.308
   66   HD12  ILE  10          2HD1      ILE  10   5.560  -2.219  -7.081
   67   HD13  ILE  10          3HD1      ILE  10   4.071  -1.313  -7.350
   68    H    GLY  11           H        GLY  11   8.103  -0.268  -5.011
   69    HA2  GLY  11          2HA       GLY  11  10.474   0.022  -4.721
   70    HA3  GLY  11          3HA       GLY  11  10.404   1.368  -5.850
   71    H    GLU  12           H        GLU  12   7.763   1.613  -3.883
   72    HA   GLU  12           HA       GLU  12   9.031   3.725  -2.334
   73    HB3  GLU  12          2HB       GLU  12   6.675   4.244  -1.645
   74    HG3  GLU  12          2HG       GLU  12   6.061   5.322  -3.585
   75    H    HIS  13           H        HIS  13   8.006   3.951  -0.016
   76    HA   HIS  13           HA       HIS  13   8.500   1.389   1.336
   77    HB3  HIS  13          2HB       HIS  13   8.558   4.152   2.560
   78    HD1  HIS  13          1HD       HIS  13   7.711   3.274   4.830
   79    HD2  HIS  13          2HD       HIS  13  11.063   1.284   3.393
   80    HE1  HIS  13          1HE       HIS  13   8.569   1.918   6.766
   81    H    CYS  14           H        CYS  14   7.075   0.560   2.816
   82    HA   CYS  14           HA       CYS  14   4.820   1.995   3.800
   83    HB3  CYS  14          2HB       CYS  14   3.840   1.725   1.663
   84    H    TYR  15           H        TYR  15   3.747   0.890   5.434
   85    HA   TYR  15           HA       TYR  15   5.170  -1.428   6.454
   86    HB3  TYR  15          2HB       TYR  15   3.705  -1.077   8.466
   87    HD1  TYR  15          1HD       TYR  15   6.247  -1.039   8.852
   88    HD2  TYR  15          2HD       TYR  15   3.989   2.412   7.808
   89    HE1  TYR  15          1HE       TYR  15   8.050   0.395   9.716
   90    HE2  TYR  15          2HE       TYR  15   5.786   3.856   8.667
   91    HH   TYR  15           HH       TYR  15   7.880   3.199  10.656
   92    H    VAL  16           H        VAL  16   2.031  -0.593   5.143
   93    HA   VAL  16           HA       VAL  16   1.358  -3.453   5.083
   94    HB   VAL  16           HB       VAL  16  -1.011  -2.908   5.531
   95   HG11  VAL  16          1HG1      VAL  16   0.425  -1.806   7.881
   96   HG12  VAL  16          2HG1      VAL  16  -0.774  -3.098   7.788
   97   HG13  VAL  16          3HG1      VAL  16   0.897  -3.407   7.312
   98   HG21  VAL  16          1HG2      VAL  16   0.119  -0.153   5.825
   99   HG22  VAL  16          2HG2      VAL  16  -1.323  -0.683   4.958
  100   HG23  VAL  16          3HG2      VAL  16  -1.326  -0.624   6.720
  101    H    ALA  17           H        ALA  17  -0.702  -3.719   3.623
  102    HA   ALA  17           HA       ALA  17   0.037  -2.848   1.025
  103    HB1  ALA  17          1HB       ALA  17  -2.277  -4.390   2.132
  104    HB2  ALA  17          2HB       ALA  17  -2.265  -3.872   0.445
  105    HB3  ALA  17          3HB       ALA  17  -0.989  -4.927   1.053
  106    H    ASP  18           H        ASP  18  -2.564  -1.931   3.247
  107    HA   ASP  18           HA       ASP  18  -4.007  -0.240   1.586
  108    HB3  ASP  18          2HB       ASP  18  -4.770   0.873   3.658
  109    H    GLU  19           H        GLU  19  -1.012   0.321   3.317
  110    HA   GLU  19           HA       GLU  19  -0.906   3.118   3.092
  111    HB3  GLU  19          2HB       GLU  19   1.704   2.491   3.047
  112    HG3  GLU  19          2HG       GLU  19   1.685   2.291   5.480
  113    H    CYS  20           H        CYS  20  -0.146   0.561   0.836
  114    HA   CYS  20           HA       CYS  20   1.030   2.425  -1.068
  115    HB3  CYS  20          2HB       CYS  20   0.640  -0.139  -2.235
  116    H    CYS  21           H        CYS  21  -0.060   3.367  -2.665
  117    HA   CYS  21           HA       CYS  21  -2.844   3.220  -2.892
  118    HB3  CYS  21          2HB       CYS  21  -1.797   4.109  -5.375
  119    H    SER  22           H        SER  22  -0.312   1.391  -4.428
  120    HA   SER  22           HA       SER  22  -2.065   0.251  -6.426
  121    HB3  SER  22          2HB       SER  22   0.710  -0.693  -5.694
  122    HG   SER  22           HG       SER  22   0.532  -0.976  -8.139
  123    H    LYS  23           H        LYS  23  -1.256  -0.372  -3.186
  124    HA   LYS  23           HA       LYS  23  -1.863  -2.006  -1.724
  125    HB3  LYS  23          2HB       LYS  23  -3.774  -3.387  -2.231
  126    HG3  LYS  23          2HG       LYS  23  -5.023  -1.419  -3.756
  127    HD3  LYS  23          2HD       LYS  23  -4.716  -1.454  -0.757
  128    HE3  LYS  23          2HE       LYS  23  -6.164   0.216  -2.442
  129    HZ1  LYS  23          1HZ       LYS  23  -8.426  -0.695  -1.226
  130    HZ2  LYS  23          2HZ       LYS  23  -7.713  -2.108  -1.823
  131    HZ3  LYS  23          3HZ       LYS  23  -8.063  -0.829  -2.873
  132    H    ARG  24           H        ARG  24   0.517  -2.391  -2.990
  133    HA   ARG  24           HA       ARG  24   0.586  -5.318  -3.291
  134    HB3  ARG  24          2HB       ARG  24   2.744  -4.474  -4.764
  135    HG3  ARG  24          2HG       ARG  24   1.465  -5.031  -6.767
  136    HD3  ARG  24          2HD       ARG  24   0.412  -6.994  -4.821
  137    HE   ARG  24           HE       ARG  24   1.527  -7.088  -7.446
  138   HH11  ARG  24          1HH1      ARG  24   1.064  -8.925  -4.524
  139   HH12  ARG  24          2HH1      ARG  24   1.129 -10.460  -5.324
  140   HH21  ARG  24          1HH2      ARG  24   1.613  -9.104  -8.510
  141   HH22  ARG  24          2HH2      ARG  24   1.442 -10.561  -7.592
  142    H    CYS  25           H        CYS  25   1.026  -3.686  -0.942
  143    HA   CYS  25           HA       CYS  25   3.900  -3.689  -0.524
  144    HB3  CYS  25          2HB       CYS  25   1.887  -3.152   1.634
  145    H    LEU  26           H        LEU  26   4.952  -4.897   1.104
  146    HA   LEU  26           HA       LEU  26   3.462  -7.208   2.139
  147    HB3  LEU  26          2HB       LEU  26   6.259  -7.378   1.041
  148    HG   LEU  26           HG       LEU  26   5.364  -9.191   2.665
  149   HD11  LEU  26          1HD1      LEU  26   3.178  -9.274   1.295
  150   HD12  LEU  26          2HD1      LEU  26   3.892 -10.785   1.854
  151   HD13  LEU  26          3HD1      LEU  26   4.104 -10.277   0.179
  152   HD21  LEU  26          1HD2      LEU  26   7.311  -9.189   0.873
  153   HD22  LEU  26          2HD2      LEU  26   6.269 -10.384   0.099
  154   HD23  LEU  26          3HD2      LEU  26   6.851 -10.653   1.744
  155    H    PHE  27           H        PHE  27   4.268  -8.110   4.078
  156    HA   PHE  27           HA       PHE  27   5.334  -6.217   5.893
  157    HB3  PHE  27          2HB       PHE  27   5.546  -8.355   7.372
  158    HD1  PHE  27          1HD       PHE  27   4.209  -7.792   9.134
  159    HD2  PHE  27          2HD       PHE  27   2.622  -7.544   5.193
  160    HE1  PHE  27          1HE       PHE  27   2.065  -7.005  10.051
  161    HE2  PHE  27          2HE       PHE  27   0.476  -6.757   6.103
  162    HZ   PHE  27           HZ       PHE  27   0.196  -6.485   8.534
  163    H    TYR  28           H        TYR  28   6.753  -8.735   3.946
  164    HA   TYR  28           HA       TYR  28   9.301  -8.605   5.325
  165    HB3  TYR  28          2HB       TYR  28  10.025 -10.234   3.573
  166    HD1  TYR  28          1HD       TYR  28  10.328 -11.305   5.771
  167    HD2  TYR  28          2HD       TYR  28   6.533 -11.222   3.849
  168    HE1  TYR  28          1HE       TYR  28   9.533 -13.078   7.279
  169    HE2  TYR  28          2HE       TYR  28   5.727 -12.995   5.351
  170    HH   TYR  28           HH       TYR  28   7.413 -14.989   6.912
  171    H    ALA  29           H        ALA  29   8.064  -7.853   2.073
  172    HA   ALA  29           HA       ALA  29  10.479  -6.688   1.149
  173    HB1  ALA  29          1HB       ALA  29   9.350  -6.216  -0.808
  174    HB2  ALA  29          2HB       ALA  29   8.427  -7.581  -0.177
  175    HB3  ALA  29          3HB       ALA  29   7.817  -5.938   0.018
  176    H    ALA  30           H        ALA  30   7.542  -5.356   2.598
  177    HA   ALA  30           HA       ALA  30   7.085  -3.337   3.546
  178    HB1  ALA  30          1HB       ALA  30   8.649  -2.771   5.016
  179    HB2  ALA  30          2HB       ALA  30   9.737  -3.914   4.228
  180    HB3  ALA  30          3HB       ALA  30   9.727  -2.222   3.733
  181    H    LYS  31           H        LYS  31   7.979  -3.710   0.542
  182    HA   LYS  31           HA       LYS  31   7.639  -0.877  -0.101
  183    HB3  LYS  31          2HB       LYS  31   9.923  -2.621  -0.951
  184    HG3  LYS  31          2HG       LYS  31  10.326  -0.530  -2.549
  185    HD3  LYS  31          2HD       LYS  31   9.213  -1.964  -4.383
  186    HE3  LYS  31          2HE       LYS  31  11.016  -3.803  -3.039
  187    HZ1  LYS  31          1HZ       LYS  31  11.637  -2.089  -5.362
  188    HZ2  LYS  31          2HZ       LYS  31  10.588  -3.406  -5.512
  189    HZ3  LYS  31          3HZ       LYS  31  12.188  -3.652  -5.021
  190    H    CYS  32           H        CYS  32   6.422  -0.493  -1.898
  191    HA   CYS  32           HA       CYS  32   4.622  -2.379  -2.802
  192    HB3  CYS  32          2HB       CYS  32   5.028  -0.540  -4.926
  193    H    VAL  33           H        VAL  33   5.006  -4.219  -3.832
  194    HA   VAL  33           HA       VAL  33   7.094  -4.258  -5.915
  195    HB   VAL  33           HB       VAL  33   7.033  -6.803  -5.471
  196   HG11  VAL  33          1HG1      VAL  33   8.318  -5.908  -3.109
  197   HG12  VAL  33          2HG1      VAL  33   9.043  -6.314  -4.667
  198   HG13  VAL  33          3HG1      VAL  33   8.521  -4.661  -4.339
  199   HG21  VAL  33          1HG2      VAL  33   5.961  -7.628  -3.679
  200   HG22  VAL  33          2HG2      VAL  33   6.391  -6.251  -2.664
  201   HG23  VAL  33          3HG2      VAL  33   5.016  -6.141  -3.763
  202    H    SER  34           H        SER  34   6.534  -4.862  -7.921
  203    HA   SER  34           HA       SER  34   3.902  -4.903  -8.779
  204    HB3  SER  34          2HB       SER  34   6.510  -5.685  -9.974
  205    HG   SER  34           HG       SER  34   5.544  -7.247 -11.030
  Start of MODEL   17
    1    H1   SER   1           H        SER   1 -10.317  17.125  -9.147
    2    HA   SER   1           HA       SER   1  -9.102  17.740 -11.623
    3    HB3  SER   1          2HB       SER   1  -7.297  16.210 -10.042
    4    HG   SER   1           HG       SER   1  -6.295  17.935 -10.684
    5    H    GLN   2           H        GLN   2  -8.360  16.483 -13.255
    6    HA   GLN   2           HA       GLN   2  -9.529  14.030 -13.802
    7    HB3  GLN   2          2HB       GLN   2  -7.185  13.957 -15.255
    8    HG3  GLN   2          2HG       GLN   2  -9.681  14.018 -15.975
    9   HE21  GLN   2          1HE2      GLN   2 -11.389  15.272 -16.022
   10   HE22  GLN   2          2HE2      GLN   2 -11.398  16.987 -16.232
   11    H    GLU   3           H        GLU   3  -6.023  14.385 -13.290
   12    HA   GLU   3           HA       GLU   3  -5.998  11.692 -12.130
   13    HB3  GLU   3          2HB       GLU   3  -4.507  12.267 -14.085
   14    HG3  GLU   3          2HG       GLU   3  -3.763  14.446 -12.506
   15    H    GLN   4           H        GLN   4  -4.418  11.324 -10.339
   16    HA   GLN   4           HA       GLN   4  -4.057  13.653  -8.602
   17    HB3  GLN   4          2HB       GLN   4  -5.003  12.553  -6.689
   18    HG3  GLN   4          2HG       GLN   4  -7.087  11.796  -8.649
   19   HE21  GLN   4          1HE2      GLN   4  -8.398  11.046  -7.089
   20   HE22  GLN   4          2HE2      GLN   4  -8.968  11.980  -5.752
   21    H    ARG   5           H        ARG   5  -2.336  13.510  -7.167
   22    HA   ARG   5           HA       ARG   5  -0.122  12.020  -7.967
   23    HB3  ARG   5          2HB       ARG   5  -0.656  13.244  -5.256
   24    HG3  ARG   5          2HG       ARG   5   1.845  12.243  -6.548
   25    HD3  ARG   5          2HD       ARG   5   1.633  14.808  -5.484
   26    HE   ARG   5           HE       ARG   5   2.329  13.002  -3.354
   27   HH11  ARG   5          1HH1      ARG   5   2.759  16.196  -4.670
   28   HH12  ARG   5          2HH1      ARG   5   3.188  16.907  -3.149
   29   HH21  ARG   5          1HH2      ARG   5   2.892  13.925  -1.347
   30   HH22  ARG   5          2HH2      ARG   5   3.264  15.613  -1.260
   31    H    GLN   6           H        GLN   6   0.511   9.992  -7.620
   32    HA   GLN   6           HA       GLN   6  -1.143   8.112  -6.332
   33    HB3  GLN   6          2HB       GLN   6   1.322   6.891  -6.455
   34    HG3  GLN   6          2HG       GLN   6  -0.960   6.328  -7.566
   35   HE21  GLN   6          1HE2      GLN   6  -2.205   6.491  -9.333
   36   HE22  GLN   6          2HE2      GLN   6  -1.848   7.486 -10.700
   37    H    CYS   7           H        CYS   7  -0.378   6.632  -4.570
   38    HA   CYS   7           HA       CYS   7   0.527   8.257  -2.326
   39    HB3  CYS   7          2HB       CYS   7  -0.430   6.639  -0.913
   40    H    LYS   8           H        LYS   8   1.283   5.073  -3.738
   41    HA   LYS   8           HA       LYS   8   4.097   5.472  -3.327
   42    HB3  LYS   8          2HB       LYS   8   4.110   3.175  -2.002
   43    HG3  LYS   8          2HG       LYS   8   4.536   5.788  -1.256
   44    HD3  LYS   8          2HD       LYS   8   2.089   5.070  -0.106
   45    HE3  LYS   8          2HE       LYS   8   3.686   3.736   1.458
   46    HZ1  LYS   8          1HZ       LYS   8   3.881   6.099   3.092
   47    HZ2  LYS   8          2HZ       LYS   8   4.888   6.135   1.734
   48    HZ3  LYS   8          3HZ       LYS   8   5.007   4.861   2.841
   49    H    LYS   9           H        LYS   9   4.625   4.934  -5.361
   50    HA   LYS   9           HA       LYS   9   3.384   2.707  -6.714
   51    HB3  LYS   9          2HB       LYS   9   4.774   3.333  -8.609
   52    HG3  LYS   9          2HG       LYS   9   3.109   5.271  -7.248
   53    HD3  LYS   9          2HD       LYS   9   4.154   6.906  -9.208
   54    HE3  LYS   9          2HE       LYS   9   3.481   7.138  -6.606
   55    HZ1  LYS   9          1HZ       LYS   9   5.203   7.214  -5.232
   56    HZ2  LYS   9          2HZ       LYS   9   6.103   8.197  -6.275
   57    HZ3  LYS   9          3HZ       LYS   9   6.146   6.515  -6.451
   58    H    ILE  10           H        ILE  10   5.348   1.529  -8.144
   59    HA   ILE  10           HA       ILE  10   6.403  -0.366  -6.352
   60    HB   ILE  10           HB       ILE  10   7.306   0.175  -9.183
   61   HG13  ILE  10          2HG1      ILE  10   5.703  -1.627  -9.783
   62   HG21  ILE  10          1HG2      ILE  10   8.875  -1.319  -8.572
   63   HG22  ILE  10          2HG2      ILE  10   7.945  -1.885  -7.186
   64   HG23  ILE  10          3HG2      ILE  10   7.574  -2.487  -8.801
   65   HD11  ILE  10          1HD1      ILE  10   5.565  -2.206  -7.124
   66   HD12  ILE  10          2HD1      ILE  10   4.075  -1.300  -7.390
   67   HD13  ILE  10          3HD1      ILE  10   4.416  -2.740  -8.349
   68    H    GLY  11           H        GLY  11   8.109  -0.244  -5.058
   69    HA2  GLY  11          2HA       GLY  11  10.480   0.048  -4.774
   70    HA3  GLY  11          3HA       GLY  11  10.407   1.392  -5.905
   71    H    GLU  12           H        GLU  12   7.769   1.638  -3.933
   72    HA   GLU  12           HA       GLU  12   9.038   3.754  -2.390
   73    HB3  GLU  12          2HB       GLU  12   6.682   4.271  -1.697
   74    HG3  GLU  12          2HG       GLU  12   6.065   5.346  -3.638
   75    H    HIS  13           H        HIS  13   8.015   3.982  -0.070
   76    HA   HIS  13           HA       HIS  13   8.515   1.423   1.285
   77    HB3  HIS  13          2HB       HIS  13   8.571   4.188   2.504
   78    HD1  HIS  13          1HD       HIS  13   7.726   3.311   4.776
   79    HD2  HIS  13          2HD       HIS  13  11.081   1.325   3.341
   80    HE1  HIS  13          1HE       HIS  13   8.588   1.960   6.714
   81    H    CYS  14           H        CYS  14   7.091   0.593   2.767
   82    HA   CYS  14           HA       CYS  14   4.837   2.027   3.753
   83    HB3  CYS  14          2HB       CYS  14   3.856   1.753   1.616
   84    H    TYR  15           H        TYR  15   3.767   0.924   5.389
   85    HA   TYR  15           HA       TYR  15   5.193  -1.393   6.409
   86    HB3  TYR  15          2HB       TYR  15   3.784  -1.039   8.437
   87    HD1  TYR  15          1HD       TYR  15   6.166  -0.861   9.086
   88    HD2  TYR  15          2HD       TYR  15   4.058   2.432   7.407
   89    HE1  TYR  15          1HE       TYR  15   7.920   0.663   9.889
   90    HE2  TYR  15          2HE       TYR  15   5.808   3.966   8.204
   91    HH   TYR  15           HH       TYR  15   7.751   4.155   9.254
   92    H    VAL  16           H        VAL  16   2.053  -0.561   5.102
   93    HA   VAL  16           HA       VAL  16   1.380  -3.421   5.050
   94    HB   VAL  16           HB       VAL  16  -1.037  -2.747   5.412
   95   HG11  VAL  16          1HG1      VAL  16   0.510  -2.101   7.874
   96   HG12  VAL  16          2HG1      VAL  16  -0.880  -3.169   7.660
   97   HG13  VAL  16          3HG1      VAL  16   0.721  -3.685   7.126
   98   HG21  VAL  16          1HG2      VAL  16  -1.621  -0.664   6.195
   99   HG22  VAL  16          2HG2      VAL  16   0.001  -0.313   6.792
  100   HG23  VAL  16          3HG2      VAL  16  -0.336  -0.250   5.062
  101    H    ALA  17           H        ALA  17  -0.681  -3.691   3.592
  102    HA   ALA  17           HA       ALA  17   0.054  -2.824   0.991
  103    HB1  ALA  17          1HB       ALA  17  -2.246  -3.851   0.415
  104    HB2  ALA  17          2HB       ALA  17  -0.970  -4.905   1.025
  105    HB3  ALA  17          3HB       ALA  17  -2.258  -4.366   2.102
  106    H    ASP  18           H        ASP  18  -2.547  -1.907   3.215
  107    HA   ASP  18           HA       ASP  18  -3.993  -0.220   1.552
  108    HB3  ASP  18          2HB       ASP  18  -4.687   0.938   3.664
  109    H    GLU  19           H        GLU  19  -0.997   0.347   3.279
  110    HA   GLU  19           HA       GLU  19  -0.896   3.144   3.049
  111    HB3  GLU  19          2HB       GLU  19   1.741   2.083   2.838
  112    HG3  GLU  19          2HG       GLU  19   1.320   4.009   4.167
  113    H    CYS  20           H        CYS  20  -0.135   0.584   0.796
  114    HA   CYS  20           HA       CYS  20   1.038   2.446  -1.112
  115    HB3  CYS  20          2HB       CYS  20   0.650  -0.120  -2.274
  116    H    CYS  21           H        CYS  21  -0.054   3.384  -2.709
  117    HA   CYS  21           HA       CYS  21  -2.839   3.235  -2.933
  118    HB3  CYS  21          2HB       CYS  21  -1.795   4.121  -5.418
  119    H    SER  22           H        SER  22  -0.306   1.404  -4.467
  120    HA   SER  22           HA       SER  22  -2.060   0.261  -6.463
  121    HB3  SER  22          2HB       SER  22   0.735  -0.625  -5.718
  122    HG   SER  22           HG       SER  22   0.625  -1.147  -8.059
  123    H    LYS  23           H        LYS  23  -1.246  -0.357  -3.222
  124    HA   LYS  23           HA       LYS  23  -1.851  -1.989  -1.757
  125    HB3  LYS  23          2HB       LYS  23  -3.760  -3.373  -2.260
  126    HG3  LYS  23          2HG       LYS  23  -5.013  -1.408  -3.785
  127    HD3  LYS  23          2HD       LYS  23  -4.702  -1.441  -0.786
  128    HE3  LYS  23          2HE       LYS  23  -7.233  -0.843  -1.133
  129    HZ1  LYS  23          1HZ       LYS  23  -6.212   1.598  -1.660
  130    HZ2  LYS  23          2HZ       LYS  23  -4.865   0.793  -1.028
  131    HZ3  LYS  23          3HZ       LYS  23  -6.292   0.895  -0.123
  132    H    ARG  24           H        ARG  24   0.528  -2.374  -3.024
  133    HA   ARG  24           HA       ARG  24   0.600  -5.301  -3.319
  134    HB3  ARG  24          2HB       ARG  24   2.755  -4.457  -4.798
  135    HG3  ARG  24          2HG       ARG  24   1.473  -5.021  -6.797
  136    HD3  ARG  24          2HD       ARG  24   0.550  -6.916  -4.674
  137    HE   ARG  24           HE       ARG  24   1.000  -7.142  -7.458
  138   HH11  ARG  24          1HH1      ARG  24   1.385  -8.882  -4.467
  139   HH12  ARG  24          2HH1      ARG  24   1.281 -10.444  -5.211
  140   HH21  ARG  24          1HH2      ARG  24   0.861  -9.193  -8.449
  141   HH22  ARG  24          2HH2      ARG  24   0.984 -10.619  -7.475
  142    H    CYS  25           H        CYS  25   1.042  -3.665  -0.975
  143    HA   CYS  25           HA       CYS  25   3.916  -3.663  -0.562
  144    HB3  CYS  25          2HB       CYS  25   1.905  -3.126   1.598
  145    H    LEU  26           H        LEU  26   4.973  -4.868   1.068
  146    HA   LEU  26           HA       LEU  26   3.487  -7.180   2.108
  147    HB3  LEU  26          2HB       LEU  26   6.284  -7.347   1.006
  148    HG   LEU  26           HG       LEU  26   5.393  -9.158   2.635
  149   HD11  LEU  26          1HD1      LEU  26   3.205  -9.247   1.268
  150   HD12  LEU  26          2HD1      LEU  26   3.922 -10.757   1.827
  151   HD13  LEU  26          3HD1      LEU  26   4.130 -10.249   0.151
  152   HD21  LEU  26          1HD2      LEU  26   6.295 -10.355   0.070
  153   HD22  LEU  26          2HD2      LEU  26   6.880 -10.620   1.713
  154   HD23  LEU  26          3HD2      LEU  26   7.338  -9.157   0.838
  155    H    PHE  27           H        PHE  27   4.296  -8.075   4.048
  156    HA   PHE  27           HA       PHE  27   5.363  -6.179   5.858
  157    HB3  PHE  27          2HB       PHE  27   5.581  -8.316   7.338
  158    HD1  PHE  27          1HD       PHE  27   4.249  -7.748   9.105
  159    HD2  PHE  27          2HD       PHE  27   2.648  -7.509   5.167
  160    HE1  PHE  27          1HE       PHE  27   2.107  -6.961  10.026
  161    HE2  PHE  27          2HE       PHE  27   0.505  -6.721   6.083
  162    HZ   PHE  27           HZ       PHE  27   0.233  -6.444   8.514
  163    H    TYR  28           H        TYR  28   6.781  -8.699   3.914
  164    HA   TYR  28           HA       TYR  28   9.332  -8.563   5.290
  165    HB3  TYR  28          2HB       TYR  28  10.054 -10.195   3.540
  166    HD1  TYR  28          1HD       TYR  28   6.564 -11.185   3.822
  167    HD2  TYR  28          2HD       TYR  28  10.362 -11.262   5.740
  168    HE1  TYR  28          1HE       TYR  28   5.761 -12.954   5.328
  169    HE2  TYR  28          2HE       TYR  28   9.569 -13.033   7.250
  170    HH   TYR  28           HH       TYR  28   7.187 -13.771   8.130
  171    H    ALA  29           H        ALA  29   8.089  -7.819   2.038
  172    HA   ALA  29           HA       ALA  29  10.501  -6.652   1.108
  173    HB1  ALA  29          1HB       ALA  29   9.440  -6.659  -0.845
  174    HB2  ALA  29          2HB       ALA  29   8.056  -7.366  -0.011
  175    HB3  ALA  29          3HB       ALA  29   8.159  -5.618  -0.225
  176    H    ALA  30           H        ALA  30   7.565  -5.321   2.560
  177    HA   ALA  30           HA       ALA  30   7.109  -3.302   3.505
  178    HB1  ALA  30          1HB       ALA  30   9.748  -2.180   3.685
  179    HB2  ALA  30          2HB       ALA  30   8.675  -2.733   4.972
  180    HB3  ALA  30          3HB       ALA  30   9.764  -3.873   4.181
  181    H    LYS  31           H        LYS  31   7.998  -3.678   0.500
  182    HA   LYS  31           HA       LYS  31   7.654  -0.846  -0.147
  183    HB3  LYS  31          2HB       LYS  31   9.939  -2.590  -0.998
  184    HG3  LYS  31          2HG       LYS  31  10.338  -0.501  -2.599
  185    HD3  LYS  31          2HD       LYS  31   9.222  -1.940  -4.430
  186    HE3  LYS  31          2HE       LYS  31  11.174  -3.470  -2.749
  187    HZ1  LYS  31          1HZ       LYS  31  11.595  -2.948  -5.574
  188    HZ2  LYS  31          2HZ       LYS  31  10.266  -3.927  -5.205
  189    HZ3  LYS  31          3HZ       LYS  31  11.815  -4.374  -4.691
  190    H    CYS  32           H        CYS  32   6.434  -0.466  -1.943
  191    HA   CYS  32           HA       CYS  32   4.635  -2.357  -2.841
  192    HB3  CYS  32          2HB       CYS  32   5.036  -0.520  -4.968
  193    H    VAL  33           H        VAL  33   5.019  -4.197  -3.869
  194    HA   VAL  33           HA       VAL  33   7.103  -4.237  -5.955
  195    HB   VAL  33           HB       VAL  33   7.047  -6.782  -5.507
  196   HG11  VAL  33          1HG1      VAL  33   8.337  -5.888  -3.149
  197   HG12  VAL  33          2HG1      VAL  33   9.058  -6.282  -4.711
  198   HG13  VAL  33          3HG1      VAL  33   8.531  -4.634  -4.373
  199   HG21  VAL  33          1HG2      VAL  33   6.410  -6.226  -2.702
  200   HG22  VAL  33          2HG2      VAL  33   5.031  -6.120  -3.797
  201   HG23  VAL  33          3HG2      VAL  33   5.977  -7.605  -3.712
  202    H    SER  34           H        SER  34   6.542  -4.845  -7.959
  203    HA   SER  34           HA       SER  34   3.909  -4.890  -8.814
  204    HB3  SER  34          2HB       SER  34   6.453  -5.915 -10.055
  205    HG   SER  34           HG       SER  34   5.383  -6.599 -11.780
  Start of MODEL   18
    1    H1   SER   1           H        SER   1  -8.380  16.773 -19.196
    2    HA   SER   1           HA       SER   1  -7.404  14.366 -19.087
    3    HB3  SER   1          2HB       SER   1  -4.782  15.146 -18.544
    4    HG   SER   1           HG       SER   1  -5.815  13.313 -19.826
    5    H    GLN   2           H        GLN   2  -7.264  13.629 -17.025
    6    HA   GLN   2           HA       GLN   2  -7.516  15.613 -14.916
    7    HB3  GLN   2          2HB       GLN   2  -7.987  13.562 -13.497
    8    HG3  GLN   2          2HG       GLN   2 -10.000  13.067 -15.423
    9   HE21  GLN   2          1HE2      GLN   2  -9.774  15.944 -13.420
   10   HE22  GLN   2          2HE2      GLN   2 -10.858  15.399 -12.189
   11    H    GLU   3           H        GLU   3  -6.385  15.197 -12.817
   12    HA   GLU   3           HA       GLU   3  -3.732  13.996 -13.163
   13    HB3  GLU   3          2HB       GLU   3  -3.614  16.466 -13.583
   14    HG3  GLU   3          2HG       GLU   3  -4.149  16.723 -10.635
   15    H    GLN   4           H        GLN   4  -2.956  12.966 -11.391
   16    HA   GLN   4           HA       GLN   4  -4.135  13.440  -8.780
   17    HB3  GLN   4          2HB       GLN   4  -5.684  11.817  -9.555
   18    HG3  GLN   4          2HG       GLN   4  -4.263   9.496 -10.108
   19   HE21  GLN   4          1HE2      GLN   4  -4.151  10.850 -13.024
   20   HE22  GLN   4          2HE2      GLN   4  -5.784  10.633 -13.544
   21    H    ARG   5           H        ARG   5  -2.937  12.491  -7.047
   22    HA   ARG   5           HA       ARG   5  -0.176  11.821  -7.818
   23    HB3  ARG   5          2HB       ARG   5  -1.252  13.102  -5.302
   24    HG3  ARG   5          2HG       ARG   5   1.558  12.289  -5.991
   25    HD3  ARG   5          2HD       ARG   5   0.535  14.183  -3.885
   26    HE   ARG   5           HE       ARG   5   2.883  12.542  -3.775
   27   HH11  ARG   5          1HH1      ARG   5   1.528  15.627  -2.903
   28   HH12  ARG   5          2HH1      ARG   5   2.612  15.874  -1.574
   29   HH21  ARG   5          1HH2      ARG   5   4.315  12.855  -2.027
   30   HH22  ARG   5          2HH2      ARG   5   4.197  14.296  -1.078
   31    H    GLN   6           H        GLN   6   0.294   9.740  -7.627
   32    HA   GLN   6           HA       GLN   6  -1.285   7.840  -6.316
   33    HB3  GLN   6          2HB       GLN   6   1.184   6.655  -6.410
   34    HG3  GLN   6          2HG       GLN   6  -0.796   5.761  -7.494
   35   HE21  GLN   6          1HE2      GLN   6  -2.630   6.580  -8.215
   36   HE22  GLN   6          2HE2      GLN   6  -2.807   7.623  -9.580
   37    H    CYS   7           H        CYS   7  -0.503   6.381  -4.541
   38    HA   CYS   7           HA       CYS   7   0.338   8.032  -2.292
   39    HB3  CYS   7          2HB       CYS   7  -0.594   6.394  -0.886
   40    H    LYS   8           H        LYS   8   1.188   4.866  -3.689
   41    HA   LYS   8           HA       LYS   8   3.986   5.336  -3.247
   42    HB3  LYS   8          2HB       LYS   8   4.043   3.042  -1.918
   43    HG3  LYS   8          2HG       LYS   8   4.394   5.667  -1.173
   44    HD3  LYS   8          2HD       LYS   8   1.952   4.888  -0.049
   45    HE3  LYS   8          2HE       LYS   8   3.561   3.595   1.535
   46    HZ1  LYS   8          1HZ       LYS   8   4.777   4.752   3.009
   47    HZ2  LYS   8          2HZ       LYS   8   3.680   6.036   3.100
   48    HZ3  LYS   8          3HZ       LYS   8   4.771   5.947   1.810
   49    H    LYS   9           H        LYS   9   4.549   4.808  -5.275
   50    HA   LYS   9           HA       LYS   9   3.378   2.549  -6.637
   51    HB3  LYS   9          2HB       LYS   9   4.771   3.207  -8.519
   52    HG3  LYS   9          2HG       LYS   9   3.045   5.102  -7.178
   53    HD3  LYS   9          2HD       LYS   9   4.079   6.769  -9.119
   54    HE3  LYS   9          2HE       LYS   9   5.112   7.172  -6.387
   55    HZ1  LYS   9          1HZ       LYS   9   3.920   9.284  -6.687
   56    HZ2  LYS   9          2HZ       LYS   9   3.372   8.755  -8.198
   57    HZ3  LYS   9          3HZ       LYS   9   5.027   8.989  -7.933
   58    H    ILE  10           H        ILE  10   5.389   1.420  -8.045
   59    HA   ILE  10           HA       ILE  10   6.471  -0.447  -6.237
   60    HB   ILE  10           HB       ILE  10   7.390   0.113  -9.059
   61   HG13  ILE  10          2HG1      ILE  10   5.841  -1.732  -9.673
   62   HG21  ILE  10          1HG2      ILE  10   7.723  -2.540  -8.671
   63   HG22  ILE  10          2HG2      ILE  10   8.990  -1.338  -8.431
   64   HG23  ILE  10          3HG2      ILE  10   8.062  -1.927  -7.052
   65   HD11  ILE  10          1HD1      ILE  10   5.688  -2.307  -7.014
   66   HD12  ILE  10          2HD1      ILE  10   4.179  -1.440  -7.298
   67   HD13  ILE  10          3HD1      ILE  10   4.566  -2.873  -8.250
   68    H    GLY  11           H        GLY  11   8.158  -0.279  -4.925
   69    HA2  GLY  11          2HA       GLY  11  10.518   0.074  -4.615
   70    HA3  GLY  11          3HA       GLY  11  10.423   1.413  -5.748
   71    H    GLU  12           H        GLU  12   7.759   1.594  -3.806
   72    HA   GLU  12           HA       GLU  12   8.957   3.743  -2.252
   73    HB3  GLU  12          2HB       GLU  12   6.583   4.205  -1.588
   74    HG3  GLU  12          2HG       GLU  12   5.960   5.257  -3.537
   75    H    HIS  13           H        HIS  13   7.902   3.949   0.055
   76    HA   HIS  13           HA       HIS  13   8.451   1.405   1.420
   77    HB3  HIS  13          2HB       HIS  13   8.420   4.171   2.636
   78    HD1  HIS  13          1HD       HIS  13   7.575   3.277   4.901
   79    HD2  HIS  13          2HD       HIS  13  10.992   1.372   3.503
   80    HE1  HIS  13          1HE       HIS  13   8.448   1.950   6.850
   81    H    CYS  14           H        CYS  14   7.034   0.545   2.893
   82    HA   CYS  14           HA       CYS  14   4.731   1.919   3.848
   83    HB3  CYS  14          2HB       CYS  14   3.781   1.618   1.702
   84    H    TYR  15           H        TYR  15   3.673   0.790   5.474
   85    HA   TYR  15           HA       TYR  15   5.144  -1.488   6.512
   86    HB3  TYR  15          2HB       TYR  15   3.767  -1.162   8.537
   87    HD1  TYR  15          1HD       TYR  15   6.135  -0.786   9.147
   88    HD2  TYR  15          2HD       TYR  15   3.750   2.305   7.455
   89    HE1  TYR  15          1HE       TYR  15   7.775   0.884   9.903
   90    HE2  TYR  15          2HE       TYR  15   5.384   3.983   8.204
   91    HH   TYR  15           HH       TYR  15   8.399   3.030   9.796
   92    H    VAL  16           H        VAL  16   2.001  -0.737   5.167
   93    HA   VAL  16           HA       VAL  16   1.400  -3.613   5.112
   94    HB   VAL  16           HB       VAL  16  -1.031  -3.015   5.455
   95   HG11  VAL  16          1HG1      VAL  16   0.379  -4.066   7.184
   96   HG12  VAL  16          2HG1      VAL  16   0.811  -2.461   7.779
   97   HG13  VAL  16          3HG1      VAL  16  -0.862  -3.016   7.868
   98   HG21  VAL  16          1HG2      VAL  16  -0.216  -0.450   5.176
   99   HG22  VAL  16          2HG2      VAL  16  -1.714  -0.931   5.972
  100   HG23  VAL  16          3HG2      VAL  16  -0.278  -0.586   6.933
  101    H    ALA  17           H        ALA  17  -0.637  -3.937   3.632
  102    HA   ALA  17           HA       ALA  17   0.105  -3.053   1.038
  103    HB1  ALA  17          1HB       ALA  17  -0.866  -5.159   1.065
  104    HB2  ALA  17          2HB       ALA  17  -2.182  -4.651   2.124
  105    HB3  ALA  17          3HB       ALA  17  -2.161  -4.140   0.436
  106    H    ASP  18           H        ASP  18  -2.543  -2.199   3.233
  107    HA   ASP  18           HA       ASP  18  -4.012  -0.551   1.552
  108    HB3  ASP  18          2HB       ASP  18  -3.723   0.351   4.361
  109    H    GLU  19           H        GLU  19  -1.049   0.094   3.311
  110    HA   GLU  19           HA       GLU  19  -1.017   2.891   3.078
  111    HB3  GLU  19          2HB       GLU  19   1.617   2.305   3.044
  112    HG3  GLU  19          2HG       GLU  19   1.006   1.659   5.652
  113    H    CYS  20           H        CYS  20  -0.167   0.348   0.837
  114    HA   CYS  20           HA       CYS  20   0.980   2.237  -1.060
  115    HB3  CYS  20          2HB       CYS  20   0.669  -0.339  -2.223
  116    H    CYS  21           H        CYS  21  -0.117   3.145  -2.671
  117    HA   CYS  21           HA       CYS  21  -2.895   2.925  -2.925
  118    HB3  CYS  21          2HB       CYS  21  -1.846   3.835  -5.400
  119    H    SER  22           H        SER  22  -0.300   1.156  -4.427
  120    HA   SER  22           HA       SER  22  -2.001  -0.033  -6.441
  121    HB3  SER  22          2HB       SER  22   0.789  -0.900  -5.677
  122    HG   SER  22           HG       SER  22   0.714  -1.959  -7.509
  123    H    LYS  23           H        LYS  23  -1.210  -0.627  -3.191
  124    HA   LYS  23           HA       LYS  23  -1.790  -2.271  -1.730
  125    HB3  LYS  23          2HB       LYS  23  -3.658  -3.704  -2.254
  126    HG3  LYS  23          2HG       LYS  23  -4.944  -1.772  -3.795
  127    HD3  LYS  23          2HD       LYS  23  -4.664  -1.794  -0.792
  128    HE3  LYS  23          2HE       LYS  23  -6.583  -0.640  -2.744
  129    HZ1  LYS  23          1HZ       LYS  23  -7.446  -1.423  -0.019
  130    HZ2  LYS  23          2HZ       LYS  23  -7.844  -2.311  -1.402
  131    HZ3  LYS  23          3HZ       LYS  23  -8.383  -0.716  -1.238
  132    H    ARG  24           H        ARG  24   0.613  -2.597  -2.973
  133    HA   ARG  24           HA       ARG  24   0.761  -5.521  -3.263
  134    HB3  ARG  24          2HB       ARG  24   2.910  -4.626  -4.717
  135    HG3  ARG  24          2HG       ARG  24   1.665  -5.222  -6.732
  136    HD3  ARG  24          2HD       ARG  24   0.672  -7.190  -4.745
  137    HE   ARG  24           HE       ARG  24   2.477  -8.045  -6.785
  138   HH11  ARG  24          1HH1      ARG  24  -0.809  -7.084  -6.156
  139   HH12  ARG  24          2HH1      ARG  24  -1.462  -7.970  -7.494
  140   HH21  ARG  24          1HH2      ARG  24   1.629  -9.216  -8.551
  141   HH22  ARG  24          2HH2      ARG  24  -0.075  -9.183  -8.856
  142    H    CYS  25           H        CYS  25   1.135  -3.872  -0.915
  143    HA   CYS  25           HA       CYS  25   4.005  -3.798  -0.471
  144    HB3  CYS  25          2HB       CYS  25   1.957  -3.308   1.666
  145    H    LEU  26           H        LEU  26   5.072  -4.974   1.172
  146    HA   LEU  26           HA       LEU  26   3.632  -7.320   2.200
  147    HB3  LEU  26          2HB       LEU  26   6.444  -7.420   1.130
  148    HG   LEU  26           HG       LEU  26   5.581  -9.250   2.751
  149   HD11  LEU  26          1HD1      LEU  26   4.159 -10.885   1.930
  150   HD12  LEU  26          2HD1      LEU  26   4.373 -10.375   0.256
  151   HD13  LEU  26          3HD1      LEU  26   3.410  -9.394   1.360
  152   HD21  LEU  26          1HD2      LEU  26   7.545  -9.203   0.977
  153   HD22  LEU  26          2HD2      LEU  26   6.541 -10.426   0.198
  154   HD23  LEU  26          3HD2      LEU  26   7.114 -10.676   1.848
  155    H    PHE  27           H        PHE  27   4.443  -8.193   4.150
  156    HA   PHE  27           HA       PHE  27   5.441  -6.268   5.969
  157    HB3  PHE  27          2HB       PHE  27   5.697  -8.398   7.455
  158    HD1  PHE  27          1HD       PHE  27   2.773  -7.654   5.252
  159    HD2  PHE  27          2HD       PHE  27   4.329  -7.871   9.207
  160    HE1  PHE  27          1HE       PHE  27   0.602  -6.915   6.142
  161    HE2  PHE  27          2HE       PHE  27   2.160  -7.133  10.104
  162    HZ   PHE  27           HZ       PHE  27   0.293  -6.656   8.571
  163    H    TYR  28           H        TYR  28   6.944  -8.754   4.044
  164    HA   TYR  28           HA       TYR  28   9.474  -8.553   5.447
  165    HB3  TYR  28          2HB       TYR  28  10.257 -10.168   3.707
  166    HD1  TYR  28          1HD       TYR  28   6.791 -11.246   3.952
  167    HD2  TYR  28          2HD       TYR  28  10.567 -11.223   5.913
  168    HE1  TYR  28          1HE       TYR  28   6.016 -13.035   5.452
  169    HE2  TYR  28          2HE       TYR  28   9.803 -13.013   7.417
  170    HH   TYR  28           HH       TYR  28   6.565 -13.910   7.710
  171    H    ALA  29           H        ALA  29   8.251  -7.844   2.181
  172    HA   ALA  29           HA       ALA  29  10.643  -6.618   1.278
  173    HB1  ALA  29          1HB       ALA  29   7.954  -5.971   0.132
  174    HB2  ALA  29          2HB       ALA  29   9.506  -6.147  -0.688
  175    HB3  ALA  29          3HB       ALA  29   8.662  -7.572  -0.084
  176    H    ALA  30           H        ALA  30   7.658  -5.359   2.694
  177    HA   ALA  30           HA       ALA  30   7.140  -3.351   3.630
  178    HB1  ALA  30          1HB       ALA  30   9.752  -2.168   3.835
  179    HB2  ALA  30          2HB       ALA  30   8.674  -2.734   5.112
  180    HB3  ALA  30          3HB       ALA  30   9.796  -3.857   4.342
  181    H    LYS  31           H        LYS  31   8.072  -3.709   0.636
  182    HA   LYS  31           HA       LYS  31   7.663  -0.887  -0.019
  183    HB3  LYS  31          2HB       LYS  31  10.001  -2.573  -0.842
  184    HG3  LYS  31          2HG       LYS  31  10.365  -0.477  -2.441
  185    HD3  LYS  31          2HD       LYS  31   9.309  -1.945  -4.283
  186    HE3  LYS  31          2HE       LYS  31  11.196  -3.616  -2.744
  187    HZ1  LYS  31          1HZ       LYS  31  12.388  -2.946  -5.024
  188    HZ2  LYS  31          2HZ       LYS  31  10.772  -2.751  -5.481
  189    HZ3  LYS  31          3HZ       LYS  31  11.307  -4.241  -4.885
  190    H    CYS  32           H        CYS  32   6.455  -0.540  -1.829
  191    HA   CYS  32           HA       CYS  32   4.714  -2.477  -2.745
  192    HB3  CYS  32          2HB       CYS  32   5.092  -0.634  -4.870
  193    H    VAL  33           H        VAL  33   5.156  -4.308  -3.765
  194    HA   VAL  33           HA       VAL  33   7.264  -4.298  -5.828
  195    HB   VAL  33           HB       VAL  33   7.269  -6.843  -5.376
  196   HG11  VAL  33          1HG1      VAL  33   9.255  -6.300  -4.548
  197   HG12  VAL  33          2HG1      VAL  33   8.688  -4.657  -4.238
  198   HG13  VAL  33          3HG1      VAL  33   8.503  -5.904  -3.003
  199   HG21  VAL  33          1HG2      VAL  33   6.585  -6.303  -2.580
  200   HG22  VAL  33          2HG2      VAL  33   5.217  -6.228  -3.689
  201   HG23  VAL  33          3HG2      VAL  33   6.197  -7.691  -3.596
  202    H    SER  34           H        SER  34   6.740  -4.922  -7.838
  203    HA   SER  34           HA       SER  34   4.118  -5.037  -8.719
  204    HB3  SER  34          2HB       SER  34   6.493  -6.342 -10.068
  205    HG   SER  34           HG       SER  34   5.116  -6.631 -11.613
  Start of MODEL   19
    1    H1   SER   1           H        SER   1   3.136  14.343 -14.521
    2    HA   SER   1           HA       SER   1   4.525  14.881 -16.624
    3    HB3  SER   1          2HB       SER   1   5.804  16.621 -15.363
    4    HG   SER   1           HG       SER   1   7.585  14.850 -14.313
    5    H    GLN   2           H        GLN   2   5.060  13.259 -13.549
    6    HA   GLN   2           HA       GLN   2   5.616  10.785 -15.022
    7    HB3  GLN   2          2HB       GLN   2   7.793  11.530 -14.354
    8    HG3  GLN   2          2HG       GLN   2   6.933  11.624 -11.484
    9   HE21  GLN   2          1HE2      GLN   2   8.781  10.979 -10.571
   10   HE22  GLN   2          2HE2      GLN   2  10.332  11.676 -10.874
   11    H    GLU   3           H        GLU   3   4.825  12.253 -11.891
   12    HA   GLU   3           HA       GLU   3   3.416   9.785 -11.142
   13    HB3  GLU   3          2HB       GLU   3   5.166  10.704  -9.592
   14    HG3  GLU   3          2HG       GLU   3   3.263  12.694  -8.547
   15    H    GLN   4           H        GLN   4   1.313   9.947 -10.163
   16    HA   GLN   4           HA       GLN   4  -0.171  12.349 -11.004
   17    HB3  GLN   4          2HB       GLN   4  -1.520   9.691 -10.797
   18    HG3  GLN   4          2HG       GLN   4  -2.028  12.274 -12.095
   19   HE21  GLN   4          1HE2      GLN   4  -2.557  12.618 -14.132
   20   HE22  GLN   4          2HE2      GLN   4  -2.872  11.402 -15.318
   21    H    ARG   5           H        ARG   5   0.865  12.461  -8.552
   22    HA   ARG   5           HA       ARG   5   0.378  12.774  -6.353
   23    HB3  ARG   5          2HB       ARG   5  -2.546  12.493  -6.916
   24    HG3  ARG   5          2HG       ARG   5  -1.061  14.670  -5.471
   25    HD3  ARG   5          2HD       ARG   5  -3.946  13.791  -5.475
   26    HE   ARG   5           HE       ARG   5  -2.589  15.271  -3.504
   27   HH11  ARG   5          1HH1      ARG   5  -5.487  15.367  -5.431
   28   HH12  ARG   5          2HH1      ARG   5  -6.391  16.273  -4.261
   29   HH21  ARG   5          1HH2      ARG   5  -3.768  16.462  -1.957
   30   HH22  ARG   5          2HH2      ARG   5  -5.410  16.896  -2.286
   31    H    GLN   6           H        GLN   6   0.891  10.124  -7.177
   32    HA   GLN   6           HA       GLN   6  -1.011   8.324  -6.039
   33    HB3  GLN   6          2HB       GLN   6   1.137   6.781  -6.149
   34    HG3  GLN   6          2HG       GLN   6   0.841   6.748  -8.743
   35   HE21  GLN   6          1HE2      GLN   6  -2.386   6.892  -7.797
   36   HE22  GLN   6          2HE2      GLN   6  -2.600   5.231  -7.376
   37    H    CYS   7           H        CYS   7  -0.243   6.722  -4.310
   38    HA   CYS   7           HA       CYS   7   0.588   8.292  -2.000
   39    HB3  CYS   7          2HB       CYS   7  -0.377   6.620  -0.657
   40    H    LYS   8           H        LYS   8   1.420   5.161  -3.485
   41    HA   LYS   8           HA       LYS   8   4.218   5.585  -2.994
   42    HB3  LYS   8          2HB       LYS   8   4.232   3.249  -1.737
   43    HG3  LYS   8          2HG       LYS   8   4.603   5.844  -0.904
   44    HD3  LYS   8          2HD       LYS   8   2.137   5.048   0.167
   45    HE3  LYS   8          2HE       LYS   8   3.714   3.712   1.739
   46    HZ1  LYS   8          1HZ       LYS   8   4.506   6.415   2.269
   47    HZ2  LYS   8          2HZ       LYS   8   5.252   4.964   2.717
   48    HZ3  LYS   8          3HZ       LYS   8   4.006   5.602   3.666
   49    H    LYS   9           H        LYS   9   4.797   5.116  -5.033
   50    HA   LYS   9           HA       LYS   9   3.622   2.908  -6.475
   51    HB3  LYS   9          2HB       LYS   9   5.046   3.614  -8.321
   52    HG3  LYS   9          2HG       LYS   9   4.470   6.322  -7.530
   53    HD3  LYS   9          2HD       LYS   9   4.500   5.324  -9.839
   54    HE3  LYS   9          2HE       LYS   9   2.043   4.018  -8.738
   55    HZ1  LYS   9          1HZ       LYS   9   2.482   4.281 -11.644
   56    HZ2  LYS   9          2HZ       LYS   9   1.558   5.423 -10.806
   57    HZ3  LYS   9          3HZ       LYS   9   1.085   3.799 -10.822
   58    H    ILE  10           H        ILE  10   5.587   1.765  -7.886
   59    HA   ILE  10           HA       ILE  10   6.657  -0.145  -6.133
   60    HB   ILE  10           HB       ILE  10   7.609   0.489  -8.928
   61   HG13  ILE  10          2HG1      ILE  10   6.043  -1.315  -9.615
   62   HG21  ILE  10          1HG2      ILE  10   7.904  -2.181  -8.615
   63   HG22  ILE  10          2HG2      ILE  10   9.184  -1.003  -8.330
   64   HG23  ILE  10          3HG2      ILE  10   8.237  -1.619  -6.978
   65   HD11  ILE  10          1HD1      ILE  10   5.859  -1.974  -6.977
   66   HD12  ILE  10          2HD1      ILE  10   4.362  -1.080  -7.247
   67   HD13  ILE  10          3HD1      ILE  10   4.742  -2.487  -8.240
   68    H    GLY  11           H        GLY  11   8.329  -0.025  -4.796
   69    HA2  GLY  11          2HA       GLY  11  10.692   0.293  -4.458
   70    HA3  GLY  11          3HA       GLY  11  10.619   1.666  -5.553
   71    H    GLU  12           H        GLU  12   7.939   1.827  -3.638
   72    HA   GLU  12           HA       GLU  12   9.147   3.911  -2.005
   73    HB3  GLU  12          2HB       GLU  12   6.761   4.371  -1.351
   74    HG3  GLU  12          2HG       GLU  12   6.192   5.522  -3.263
   75    H    HIS  13           H        HIS  13   8.105   4.069   0.297
   76    HA   HIS  13           HA       HIS  13   8.589   1.478   1.592
   77    HB3  HIS  13          2HB       HIS  13   8.569   4.207   2.890
   78    HD1  HIS  13          1HD       HIS  13   7.694   3.258   5.119
   79    HD2  HIS  13          2HD       HIS  13  11.101   1.352   3.697
   80    HE1  HIS  13          1HE       HIS  13   8.533   1.861   7.034
   81    H    CYS  14           H        CYS  14   7.146   0.592   3.027
   82    HA   CYS  14           HA       CYS  14   4.843   1.962   3.987
   83    HB3  CYS  14          2HB       CYS  14   3.922   1.729   1.818
   84    H    TYR  15           H        TYR  15   3.755   0.801   5.569
   85    HA   TYR  15           HA       TYR  15   5.190  -1.522   6.561
   86    HB3  TYR  15          2HB       TYR  15   3.714  -1.241   8.560
   87    HD1  TYR  15          1HD       TYR  15   4.128   2.237   7.500
   88    HD2  TYR  15          2HD       TYR  15   5.982  -1.072   9.428
   89    HE1  TYR  15          1HE       TYR  15   5.859   3.737   8.396
   90    HE2  TYR  15          2HE       TYR  15   7.718   0.419  10.330
   91    HH   TYR  15           HH       TYR  15   8.718   2.751   9.566
   92    H    VAL  16           H        VAL  16   2.067  -0.696   5.210
   93    HA   VAL  16           HA       VAL  16   1.434  -3.562   5.068
   94    HB   VAL  16           HB       VAL  16  -0.997  -2.936   5.399
   95   HG11  VAL  16          1HG1      VAL  16   0.130  -2.273   7.987
   96   HG12  VAL  16          2HG1      VAL  16  -0.759  -3.709   7.476
   97   HG13  VAL  16          3HG1      VAL  16   0.983  -3.608   7.213
   98   HG21  VAL  16          1HG2      VAL  16  -0.189  -0.567   6.955
   99   HG22  VAL  16          2HG2      VAL  16  -0.160  -0.382   5.202
  100   HG23  VAL  16          3HG2      VAL  16  -1.649  -0.863   6.013
  101    H    ALA  17           H        ALA  17  -0.588  -3.822   3.558
  102    HA   ALA  17           HA       ALA  17   0.188  -2.874   0.998
  103    HB1  ALA  17          1HB       ALA  17  -2.119  -4.482   2.020
  104    HB2  ALA  17          2HB       ALA  17  -2.087  -3.919   0.348
  105    HB3  ALA  17          3HB       ALA  17  -0.804  -4.969   0.949
  106    H    ASP  18           H        ASP  18  -2.473  -2.056   3.187
  107    HA   ASP  18           HA       ASP  18  -3.909  -0.345   1.539
  108    HB3  ASP  18          2HB       ASP  18  -4.106   0.828   4.040
  109    H    GLU  19           H        GLU  19  -0.958   0.218   3.347
  110    HA   GLU  19           HA       GLU  19  -0.895   3.021   3.194
  111    HB3  GLU  19          2HB       GLU  19   1.741   2.366   3.148
  112    HG3  GLU  19          2HG       GLU  19   1.629   2.162   5.630
  113    H    CYS  20           H        CYS  20  -0.045   0.534   0.892
  114    HA   CYS  20           HA       CYS  20   1.145   2.461  -0.938
  115    HB3  CYS  20          2HB       CYS  20   0.816  -0.076  -2.177
  116    H    CYS  21           H        CYS  21   0.077   3.429  -2.534
  117    HA   CYS  21           HA       CYS  21  -2.701   3.252  -2.825
  118    HB3  CYS  21          2HB       CYS  21  -1.613   4.219  -5.261
  119    H    SER  22           H        SER  22  -0.110   1.494  -4.349
  120    HA   SER  22           HA       SER  22  -1.806   0.384  -6.413
  121    HB3  SER  22          2HB       SER  22   0.995  -0.453  -5.625
  122    HG   SER  22           HG       SER  22   0.472  -0.651  -8.218
  123    H    LYS  23           H        LYS  23  -1.053  -0.312  -3.174
  124    HA   LYS  23           HA       LYS  23  -1.666  -1.991  -1.766
  125    HB3  LYS  23          2HB       LYS  23  -3.545  -3.385  -2.350
  126    HG3  LYS  23          2HG       LYS  23  -4.792  -1.395  -3.847
  127    HD3  LYS  23          2HD       LYS  23  -4.544  -1.510  -0.843
  128    HE3  LYS  23          2HE       LYS  23  -6.569  -0.418  -2.768
  129    HZ1  LYS  23          1HZ       LYS  23  -7.098  -1.731  -0.280
  130    HZ2  LYS  23          2HZ       LYS  23  -8.178  -1.195  -1.465
  131    HZ3  LYS  23          3HZ       LYS  23  -7.629  -0.124  -0.277
  132    H    ARG  24           H        ARG  24   0.745  -2.311  -2.988
  133    HA   ARG  24           HA       ARG  24   0.862  -5.227  -3.362
  134    HB3  ARG  24          2HB       ARG  24   3.037  -4.316  -4.769
  135    HG3  ARG  24          2HG       ARG  24   1.807  -4.839  -6.811
  136    HD3  ARG  24          2HD       ARG  24   0.950  -6.769  -4.671
  137    HE   ARG  24           HE       ARG  24   2.072  -7.730  -7.137
  138   HH11  ARG  24          1HH1      ARG  24  -0.836  -6.702  -5.521
  139   HH12  ARG  24          2HH1      ARG  24  -1.890  -7.588  -6.574
  140   HH21  ARG  24          1HH2      ARG  24   0.695  -8.902  -8.528
  141   HH22  ARG  24          2HH2      ARG  24  -1.017  -8.840  -8.283
  142    H    CYS  25           H        CYS  25   1.230  -3.650  -0.965
  143    HA   CYS  25           HA       CYS  25   4.095  -3.623  -0.488
  144    HB3  CYS  25          2HB       CYS  25   2.030  -3.170   1.641
  145    H    LEU  26           H        LEU  26   5.133  -4.860   1.127
  146    HA   LEU  26           HA       LEU  26   3.655  -7.217   2.074
  147    HB3  LEU  26          2HB       LEU  26   6.475  -7.321   1.028
  148    HG   LEU  26           HG       LEU  26   5.573  -9.187   2.588
  149   HD11  LEU  26          1HD1      LEU  26   4.142 -10.779   1.704
  150   HD12  LEU  26          2HD1      LEU  26   4.380 -10.225   0.047
  151   HD13  LEU  26          3HD1      LEU  26   3.416  -9.263   1.169
  152   HD21  LEU  26          1HD2      LEU  26   7.558  -9.112   0.840
  153   HD22  LEU  26          2HD2      LEU  26   6.549 -10.297   0.009
  154   HD23  LEU  26          3HD2      LEU  26   7.097 -10.606   1.658
  155    H    PHE  27           H        PHE  27   4.436  -8.156   4.005
  156    HA   PHE  27           HA       PHE  27   5.440  -6.297   5.888
  157    HB3  PHE  27          2HB       PHE  27   5.652  -8.467   7.317
  158    HD1  PHE  27          1HD       PHE  27   4.259  -7.997   9.065
  159    HD2  PHE  27          2HD       PHE  27   2.771  -7.620   5.095
  160    HE1  PHE  27          1HE       PHE  27   2.084  -7.266   9.953
  161    HE2  PHE  27          2HE       PHE  27   0.594  -6.888   5.976
  162    HZ   PHE  27           HZ       PHE  27   0.248  -6.709   8.408
  163    H    TYR  28           H        TYR  28   6.932  -8.741   3.904
  164    HA   TYR  28           HA       TYR  28   9.450  -8.616   5.337
  165    HB3  TYR  28          2HB       TYR  28  10.230 -10.184   3.552
  166    HD1  TYR  28          1HD       TYR  28   6.750 -11.227   3.742
  167    HD2  TYR  28          2HD       TYR  28  10.514 -11.312   5.724
  168    HE1  TYR  28          1HE       TYR  28   5.944 -13.052   5.181
  169    HE2  TYR  28          2HE       TYR  28   9.719 -13.139   7.167
  170    HH   TYR  28           HH       TYR  28   7.669 -14.099   7.959
  171    H    ALA  29           H        ALA  29   8.268  -7.791   2.082
  172    HA   ALA  29           HA       ALA  29  10.684  -6.565   1.241
  173    HB1  ALA  29          1HB       ALA  29   9.607  -6.100  -0.731
  174    HB2  ALA  29          2HB       ALA  29   8.634  -7.445  -0.132
  175    HB3  ALA  29          3HB       ALA  29   8.061  -5.787   0.059
  176    H    ALA  30           H        ALA  30   7.697  -5.317   2.663
  177    HA   ALA  30           HA       ALA  30   7.191  -3.333   3.657
  178    HB1  ALA  30          1HB       ALA  30   9.804  -2.173   3.929
  179    HB2  ALA  30          2HB       ALA  30   8.719  -2.793   5.175
  180    HB3  ALA  30          3HB       ALA  30   9.846  -3.881   4.365
  181    H    LYS  31           H        LYS  31   8.150  -3.611   0.663
  182    HA   LYS  31           HA       LYS  31   7.773  -0.766   0.088
  183    HB3  LYS  31          2HB       LYS  31  10.106  -2.447  -0.760
  184    HG3  LYS  31          2HG       LYS  31  10.504  -0.308  -2.292
  185    HD3  LYS  31          2HD       LYS  31   9.460  -1.709  -4.190
  186    HE3  LYS  31          2HE       LYS  31  11.791  -2.112  -2.555
  187    HZ1  LYS  31          1HZ       LYS  31  12.149  -4.321  -2.640
  188    HZ2  LYS  31          2HZ       LYS  31  11.262  -4.543  -4.063
  189    HZ3  LYS  31          3HZ       LYS  31  10.461  -4.400  -2.579
  190    H    CYS  32           H        CYS  32   6.591  -0.355  -1.727
  191    HA   CYS  32           HA       CYS  32   4.841  -2.246  -2.717
  192    HB3  CYS  32          2HB       CYS  32   5.263  -0.348  -4.785
  193    H    VAL  33           H        VAL  33   5.271  -4.051  -3.787
  194    HA   VAL  33           HA       VAL  33   7.404  -4.006  -5.822
  195    HB   VAL  33           HB       VAL  33   7.374  -6.563  -5.444
  196   HG11  VAL  33          1HG1      VAL  33   8.806  -4.428  -4.232
  197   HG12  VAL  33          2HG1      VAL  33   8.599  -5.709  -3.035
  198   HG13  VAL  33          3HG1      VAL  33   9.359  -6.064  -4.587
  199   HG21  VAL  33          1HG2      VAL  33   5.313  -5.973  -3.764
  200   HG22  VAL  33          2HG2      VAL  33   6.278  -7.448  -3.694
  201   HG23  VAL  33          3HG2      VAL  33   6.666  -6.089  -2.639
  202    H    SER  34           H        SER  34   6.898  -4.568  -7.856
  203    HA   SER  34           HA       SER  34   4.284  -4.631  -8.769
  204    HB3  SER  34          2HB       SER  34   6.924  -5.375  -9.936
  205    HG   SER  34           HG       SER  34   5.310  -5.679 -11.902
  Start of MODEL   20
    1    H1   SER   1           H        SER   1 -11.667  14.867 -15.711
    2    HA   SER   1           HA       SER   1  -9.133  15.942 -14.657
    3    HB3  SER   1          2HB       SER   1 -10.515  15.304 -12.820
    4    HG   SER   1           HG       SER   1 -10.824  12.668 -13.654
    5    H    GLN   2           H        GLN   2  -7.318  14.455 -14.561
    6    HA   GLN   2           HA       GLN   2  -7.429  12.401 -16.671
    7    HB3  GLN   2          2HB       GLN   2  -4.901  12.966 -16.878
    8    HG3  GLN   2          2HG       GLN   2  -6.488  15.268 -17.850
    9   HE21  GLN   2          1HE2      GLN   2  -5.205  16.281 -19.198
   10   HE22  GLN   2          2HE2      GLN   2  -3.970  15.568 -20.172
   11    H    GLU   3           H        GLU   3  -5.056  13.356 -14.191
   12    HA   GLU   3           HA       GLU   3  -5.193  10.614 -13.127
   13    HB3  GLU   3          2HB       GLU   3  -3.170  10.782 -14.446
   14    HG3  GLU   3          2HG       GLU   3  -1.944  12.833 -12.708
   15    H    GLN   4           H        GLN   4  -3.771  10.637 -10.958
   16    HA   GLN   4           HA       GLN   4  -4.456  13.032  -9.408
   17    HB3  GLN   4          2HB       GLN   4  -6.241  11.357  -9.075
   18    HG3  GLN   4          2HG       GLN   4  -4.464   9.617  -7.482
   19   HE21  GLN   4          1HE2      GLN   4  -6.502   9.357  -6.416
   20   HE22  GLN   4          2HE2      GLN   4  -7.718   8.342  -7.108
   21    H    ARG   5           H        ARG   5  -3.597  12.367  -6.959
   22    HA   ARG   5           HA       ARG   5  -0.727  12.126  -7.362
   23    HB3  ARG   5          2HB       ARG   5  -2.290  12.754  -4.853
   24    HG3  ARG   5          2HG       ARG   5   0.157  11.939  -4.669
   25    HD3  ARG   5          2HD       ARG   5   1.406  14.380  -4.789
   26    HE   ARG   5           HE       ARG   5   1.774  12.757  -7.131
   27   HH11  ARG   5          1HH1      ARG   5   2.377  13.029  -3.713
   28   HH12  ARG   5          2HH1      ARG   5   3.763  11.991  -3.742
   29   HH21  ARG   5          1HH2      ARG   5   3.598  11.387  -7.183
   30   HH22  ARG   5          2HH2      ARG   5   4.457  11.058  -5.717
   31    H    GLN   6           H        GLN   6   0.259  10.233  -7.197
   32    HA   GLN   6           HA       GLN   6  -1.024   7.915  -6.163
   33    HB3  GLN   6          2HB       GLN   6   1.199   6.833  -6.538
   34    HG3  GLN   6          2HG       GLN   6  -0.542   7.814  -8.474
   35   HE21  GLN   6          1HE2      GLN   6   0.938   7.154 -10.840
   36   HE22  GLN   6          2HE2      GLN   6   1.843   8.559 -11.281
   37    H    CYS   7           H        CYS   7  -0.350   6.609  -4.384
   38    HA   CYS   7           HA       CYS   7   0.499   8.215  -2.104
   39    HB3  CYS   7          2HB       CYS   7  -0.446   6.557  -0.729
   40    H    LYS   8           H        LYS   8   1.329   5.066  -3.554
   41    HA   LYS   8           HA       LYS   8   4.130   5.508  -3.098
   42    HB3  LYS   8          2HB       LYS   8   4.167   3.191  -1.809
   43    HG3  LYS   8          2HG       LYS   8   4.535   5.799  -1.016
   44    HD3  LYS   8          2HD       LYS   8   2.085   5.008   0.092
   45    HE3  LYS   8          2HE       LYS   8   3.681   3.699   1.665
   46    HZ1  LYS   8          1HZ       LYS   8   4.820   4.851   3.251
   47    HZ2  LYS   8          2HZ       LYS   8   3.854   6.234   3.126
   48    HZ3  LYS   8          3HZ       LYS   8   5.019   5.908   1.945
   49    H    LYS   9           H        LYS   9   4.690   5.014  -5.136
   50    HA   LYS   9           HA       LYS   9   3.509   2.781  -6.535
   51    HB3  LYS   9          2HB       LYS   9   4.910   3.466  -8.405
   52    HG3  LYS   9          2HG       LYS   9   4.335   6.182  -7.638
   53    HD3  LYS   9          2HD       LYS   9   2.673   5.943  -9.480
   54    HE3  LYS   9          2HE       LYS   9   5.258   4.691 -10.343
   55    HZ1  LYS   9          1HZ       LYS   9   3.265   5.572 -11.811
   56    HZ2  LYS   9          2HZ       LYS   9   4.876   5.730 -12.301
   57    HZ3  LYS   9          3HZ       LYS   9   4.072   7.043 -11.600
   58    H    ILE  10           H        ILE  10   5.467   1.628  -7.950
   59    HA   ILE  10           HA       ILE  10   6.561  -0.254  -6.181
   60    HB   ILE  10           HB       ILE  10   7.482   0.346  -8.994
   61   HG13  ILE  10          2HG1      ILE  10   5.919  -1.477  -9.639
   62   HG21  ILE  10          1HG2      ILE  10   8.141  -1.731  -7.019
   63   HG22  ILE  10          2HG2      ILE  10   7.793  -2.318  -8.645
   64   HG23  ILE  10          3HG2      ILE  10   9.072  -1.129  -8.392
   65   HD11  ILE  10          1HD1      ILE  10   4.635  -2.632  -8.233
   66   HD12  ILE  10          2HD1      ILE  10   5.763  -2.095  -6.988
   67   HD13  ILE  10          3HD1      ILE  10   4.260  -1.212  -7.258
   68    H    GLY  11           H        GLY  11   8.248  -0.112  -4.864
   69    HA2  GLY  11          2HA       GLY  11  10.612   0.221  -4.553
   70    HA3  GLY  11          3HA       GLY  11  10.522   1.580  -5.665
   71    H    GLU  12           H        GLU  12   7.859   1.759  -3.731
   72    HA   GLU  12           HA       GLU  12   9.075   3.867  -2.135
   73    HB3  GLU  12          2HB       GLU  12   6.694   4.328  -1.464
   74    HG3  GLU  12          2HG       GLU  12   6.102   5.449  -3.387
   75    H    HIS  13           H        HIS  13   8.057   4.052   0.174
   76    HA   HIS  13           HA       HIS  13   8.564   1.481   1.499
   77    HB3  HIS  13          2HB       HIS  13   8.545   4.228   2.760
   78    HD1  HIS  13          1HD       HIS  13   7.695   3.306   5.009
   79    HD2  HIS  13          2HD       HIS  13  11.097   1.395   3.582
   80    HE1  HIS  13          1HE       HIS  13   8.556   1.940   6.937
   81    H    CYS  14           H        CYS  14   7.143   0.612   2.966
   82    HA   CYS  14           HA       CYS  14   4.842   1.983   3.929
   83    HB3  CYS  14          2HB       CYS  14   3.900   1.718   1.773
   84    H    TYR  15           H        TYR  15   3.774   0.837   5.536
   85    HA   TYR  15           HA       TYR  15   5.229  -1.468   6.541
   86    HB3  TYR  15          2HB       TYR  15   3.789  -1.165   8.557
   87    HD1  TYR  15          1HD       TYR  15   3.923   2.338   7.780
   88    HD2  TYR  15          2HD       TYR  15   6.271  -0.981   9.036
   89    HE1  TYR  15          1HE       TYR  15   5.642   3.881   8.624
   90    HE2  TYR  15          2HE       TYR  15   7.996   0.554   9.885
   91    HH   TYR  15           HH       TYR  15   8.314   2.784  10.545
   92    H    VAL  16           H        VAL  16   2.087  -0.668   5.216
   93    HA   VAL  16           HA       VAL  16   1.462  -3.538   5.118
   94    HB   VAL  16           HB       VAL  16  -0.958  -2.941   5.481
   95   HG11  VAL  16          1HG1      VAL  16  -0.781  -3.401   7.697
   96   HG12  VAL  16          2HG1      VAL  16   0.895  -3.709   7.240
   97   HG13  VAL  16          3HG1      VAL  16   0.449  -2.167   7.969
   98   HG21  VAL  16          1HG2      VAL  16  -0.124  -0.476   6.896
   99   HG22  VAL  16          2HG2      VAL  16  -0.237  -0.394   5.138
  100   HG23  VAL  16          3HG2      VAL  16  -1.645  -0.862   6.092
  101    H    ALA  17           H        ALA  17  -0.573  -3.827   3.631
  102    HA   ALA  17           HA       ALA  17   0.176  -2.911   1.051
  103    HB1  ALA  17          1HB       ALA  17  -2.116  -4.513   2.117
  104    HB2  ALA  17          2HB       ALA  17  -2.100  -3.973   0.438
  105    HB3  ALA  17          3HB       ALA  17  -0.808  -5.010   1.043
  106    H    ASP  18           H        ASP  18  -2.467  -2.073   3.256
  107    HA   ASP  18           HA       ASP  18  -3.925  -0.390   1.598
  108    HB3  ASP  18          2HB       ASP  18  -3.537   0.284   4.496
  109    H    GLU  19           H        GLU  19  -0.961   0.209   3.370
  110    HA   GLU  19           HA       GLU  19  -0.910   3.011   3.177
  111    HB3  GLU  19          2HB       GLU  19   1.749   2.187   3.036
  112    HG3  GLU  19          2HG       GLU  19   0.700   3.789   4.655
  113    H    CYS  20           H        CYS  20  -0.073   0.495   0.901
  114    HA   CYS  20           HA       CYS  20   1.092   2.401  -0.966
  115    HB3  CYS  20          2HB       CYS  20   0.761  -0.154  -2.167
  116    H    CYS  21           H        CYS  21   0.003   3.344  -2.562
  117    HA   CYS  21           HA       CYS  21  -2.776   3.151  -2.825
  118    HB3  CYS  21          2HB       CYS  21  -1.715   4.089  -5.285
  119    H    SER  22           H        SER  22  -0.193   1.385  -4.353
  120    HA   SER  22           HA       SER  22  -1.903   0.240  -6.385
  121    HB3  SER  22          2HB       SER  22   0.938  -0.455  -5.594
  122    HG   SER  22           HG       SER  22   0.691  -1.136  -7.994
  123    H    LYS  23           H        LYS  23  -1.117  -0.409  -3.144
  124    HA   LYS  23           HA       LYS  23  -1.711  -2.071  -1.708
  125    HB3  LYS  23          2HB       LYS  23  -3.591  -3.479  -2.254
  126    HG3  LYS  23          2HG       LYS  23  -4.859  -1.514  -3.766
  127    HD3  LYS  23          2HD       LYS  23  -4.582  -1.587  -0.764
  128    HE3  LYS  23          2HE       LYS  23  -6.502  -0.396  -2.699
  129    HZ1  LYS  23          1HZ       LYS  23  -7.267  -1.881  -0.324
  130    HZ2  LYS  23          2HZ       LYS  23  -8.179  -1.477  -1.689
  131    HZ3  LYS  23          3HZ       LYS  23  -7.940  -0.336  -0.465
  132    H    ARG  24           H        ARG  24   0.690  -2.400  -2.944
  133    HA   ARG  24           HA       ARG  24   0.815  -5.321  -3.281
  134    HB3  ARG  24          2HB       ARG  24   2.971  -4.421  -4.723
  135    HG3  ARG  24          2HG       ARG  24   1.722  -4.980  -6.745
  136    HD3  ARG  24          2HD       ARG  24   0.870  -6.890  -4.589
  137    HE   ARG  24           HE       ARG  24   2.058  -7.903  -6.987
  138   HH11  ARG  24          1HH1      ARG  24  -0.901  -6.741  -5.568
  139   HH12  ARG  24          2HH1      ARG  24  -1.922  -7.613  -6.664
  140   HH21  ARG  24          1HH2      ARG  24   0.724  -9.057  -8.435
  141   HH22  ARG  24          2HH2      ARG  24  -0.996  -8.930  -8.294
  142    H    CYS  25           H        CYS  25   1.200  -3.709  -0.910
  143    HA   CYS  25           HA       CYS  25   4.071  -3.664  -0.463
  144    HB3  CYS  25          2HB       CYS  25   2.025  -3.191   1.680
  145    H    LEU  26           H        LEU  26   5.130  -4.874   1.158
  146    HA   LEU  26           HA       LEU  26   3.671  -7.224   2.152
  147    HB3  LEU  26          2HB       LEU  26   6.481  -7.331   1.078
  148    HG   LEU  26           HG       LEU  26   5.603  -9.179   2.673
  149   HD11  LEU  26          1HD1      LEU  26   4.386 -10.254   0.160
  150   HD12  LEU  26          2HD1      LEU  26   3.431  -9.284   1.280
  151   HD13  LEU  26          3HD1      LEU  26   4.168 -10.790   1.826
  152   HD21  LEU  26          1HD2      LEU  26   7.568  -9.121   0.904
  153   HD22  LEU  26          2HD2      LEU  26   6.555 -10.320   0.099
  154   HD23  LEU  26          3HD2      LEU  26   7.122 -10.605   1.746
  155    H    PHE  27           H        PHE  27   4.477  -8.134   4.088
  156    HA   PHE  27           HA       PHE  27   5.493  -6.244   5.935
  157    HB3  PHE  27          2HB       PHE  27   5.731  -8.400   7.387
  158    HD1  PHE  27          1HD       PHE  27   2.808  -7.606   5.202
  159    HD2  PHE  27          2HD       PHE  27   4.375  -7.874   9.149
  160    HE1  PHE  27          1HE       PHE  27   0.644  -6.862   6.107
  161    HE2  PHE  27          2HE       PHE  27   2.214  -7.132  10.061
  162    HZ   PHE  27           HZ       PHE  27   0.345  -6.625   8.539
  163    H    TYR  28           H        TYR  28   6.974  -8.710   3.968
  164    HA   TYR  28           HA       TYR  28   9.506  -8.557   5.373
  165    HB3  TYR  28          2HB       TYR  28  10.273 -10.145   3.601
  166    HD1  TYR  28          1HD       TYR  28   6.795 -11.190   3.851
  167    HD2  TYR  28          2HD       TYR  28  10.589 -11.253   5.775
  168    HE1  TYR  28          1HE       TYR  28   6.012 -12.999   5.323
  169    HE2  TYR  28          2HE       TYR  28   9.817 -13.063   7.252
  170    HH   TYR  28           HH       TYR  28   6.531 -13.973   7.478
  171    H    ALA  29           H        ALA  29   8.288  -7.779   2.120
  172    HA   ALA  29           HA       ALA  29  10.691  -6.556   1.240
  173    HB1  ALA  29          1HB       ALA  29   8.299  -7.316   0.066
  174    HB2  ALA  29          2HB       ALA  29   8.320  -5.558  -0.093
  175    HB3  ALA  29          3HB       ALA  29   9.655  -6.518  -0.731
  176    H    ALA  30           H        ALA  30   7.712  -5.301   2.674
  177    HA   ALA  30           HA       ALA  30   7.209  -3.306   3.646
  178    HB1  ALA  30          1HB       ALA  30   9.872  -3.835   4.335
  179    HB2  ALA  30          2HB       ALA  30   9.820  -2.133   3.874
  180    HB3  ALA  30          3HB       ALA  30   8.749  -2.738   5.140
  181    H    LYS  31           H        LYS  31   8.138  -3.620   0.645
  182    HA   LYS  31           HA       LYS  31   7.743  -0.786   0.036
  183    HB3  LYS  31          2HB       LYS  31  10.073  -2.468  -0.812
  184    HG3  LYS  31          2HG       LYS  31  10.447  -0.350  -2.379
  185    HD3  LYS  31          2HD       LYS  31   9.391  -1.784  -4.245
  186    HE3  LYS  31          2HE       LYS  31  11.241  -3.529  -2.772
  187    HZ1  LYS  31          1HZ       LYS  31  11.115  -3.902  -5.047
  188    HZ2  LYS  31          2HZ       LYS  31  12.545  -3.013  -4.883
  189    HZ3  LYS  31          3HZ       LYS  31  11.136  -2.256  -5.433
  190    H    CYS  32           H        CYS  32   6.540  -0.404  -1.772
  191    HA   CYS  32           HA       CYS  32   4.788  -2.315  -2.719
  192    HB3  CYS  32          2HB       CYS  32   5.180  -0.445  -4.818
  193    H    VAL  33           H        VAL  33   5.215  -4.133  -3.767
  194    HA   VAL  33           HA       VAL  33   7.327  -4.109  -5.825
  195    HB   VAL  33           HB       VAL  33   7.309  -6.662  -5.410
  196   HG11  VAL  33          1HG1      VAL  33   9.301  -6.151  -4.576
  197   HG12  VAL  33          2HG1      VAL  33   8.751  -4.506  -4.250
  198   HG13  VAL  33          3HG1      VAL  33   8.555  -5.762  -3.026
  199   HG21  VAL  33          1HG2      VAL  33   6.631  -6.145  -2.605
  200   HG22  VAL  33          2HG2      VAL  33   5.264  -6.056  -3.716
  201   HG23  VAL  33          3HG2      VAL  33   6.238  -7.523  -3.633
  202    H    SER  34           H        SER  34   6.803  -4.701  -7.845
  203    HA   SER  34           HA       SER  34   4.180  -4.787  -8.730
  204    HB3  SER  34          2HB       SER  34   6.759  -5.736  -9.959
  205    HG   SER  34           HG       SER  34   5.716  -6.609 -11.561