*HEADER    TOXIN                                   27-AUG-15   2N6O              
*TITLE     STRUCTURE OF SPIDER-VENOM PEPTIDE HM1A                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KAPPA-THERAPHOTOXIN-HM1A;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: KAPPA-TRTX-HM1A, HETEROSCODRATOXIN-1, HMTX1;                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HETEROSCODRA MACULATA;                          
*SOURCE   4 ORGANISM_COMMON: TOGO STARBURST TARANTULA;                           
*SOURCE   5 ORGANISM_TAXID: 268413                                               
*KEYWDS    HM1A, TOXIN, SPIDER VENOM, CYSTINE KNOT, GATING MODIFIER              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.A.B.UNDHEIM, G.F.KING, M.MOBLI                                      
*REVDAT   1   07-SEP-16 2N6O    0                                                


  5 LEU  QD2     6 PHE  H       3.72            #peak 2 #SUP 0.98 #QF 0.98
  5 LEU  QD1     6 PHE  H       4.84            #peak 3 #SUP 1.00
  6 PHE  H      19 LEU  QD2     4.92            #peak 5 #SUP 0.99 #QF 0.99
 19 LEU  QD2    31 ASP  H       4.33            #peak 6 #SUP 0.92 #QF 0.92
  5 LEU  HB2     6 PHE  H       4.66            #peak 7 #SUP 1.00
  1 GLU  QB      2 CYSS H       3.93            #peak 10 #SUP 1.00
 22 ARG  H      22 ARG  HB3     4.00            #peak 13 #SUP 1.00
 22 ARG  H      22 ARG  HB2     3.40            #peak 17 #SUP 0.94 #QF 0.94
 17 LYS  HB3    18 HIS  H       4.58            #peak 18 #SUP 0.96 #QF 0.96
 12 THR  QG2    21 CYSS H       3.89            #peak 20 #SUP 0.99 #QF 0.99
 18 HIS  H      19 LEU  HG      4.62            #peak 21 #SUP 0.70 #QF 0.70
 16 CYSS H      16 CYSS HB3     3.85            #peak 24 #SUP 0.98 #QF 0.98
  3 ARG  HB3     7 GLY  H       4.26            #peak 25 #SUP 0.52 #QF 0.52
  3 ARG  H       3 ARG  HB3     3.96            #peak 26 #SUP 1.00
  3 ARG  H       3 ARG  HG3     3.83            #peak 27 #SUP 0.99 #QF 0.99
  3 ARG  H       3 ARG  HB2     4.07            #peak 29 #SUP 1.00
  5 LEU  QD2    30 TRP  H       4.04            #peak 32 #SUP 0.99 #QF 0.99
 19 LEU  QD2    30 TRP  HE3     3.81            #peak 33 #SUP 0.99 #QF 0.99
 19 LEU  QD2    30 TRP  H       4.54            #peak 34 #SUP 1.00 #QF 0.99
 19 LEU  H      19 LEU  QD2     4.51            #peak 35 #SUP 1.00
 25 TRP  HB2    27 TYR  QE      4.33            #peak 36 #SUP 1.00
 27 TYR  QE     29 ALA  QB      4.71            #peak 37 #SUP 0.99 #QF 0.93
  5 LEU  H       5 LEU  HB3     3.61            #peak 38 #SUP 1.00 #QF 0.99
  5 LEU  HB3     6 PHE  QD      4.09            #peak 38 #SUP 1.00 #QF 0.99
  5 LEU  H       5 LEU  HB2     3.28            #peak 39 #SUP 0.98 #QF 0.98
  5 LEU  H      19 LEU  QD1     3.64            #peak 40 #SUP 0.99 #QF 0.99
  5 LEU  QD2     6 PHE  QD      4.00            #peak 41 #SUP 0.94 #QF 0.94
  5 LEU  QD2    27 TYR  QE      4.51            #peak 42 #SUP 0.94 #QF 0.94
  5 LEU  H       5 LEU  QD1     4.61            #peak 43 #SUP 1.00
  5 LEU  QD1     6 PHE  QD      5.09            #peak 43 #SUP 1.00
  5 LEU  H      19 LEU  QD2     4.25            #peak 44 #SUP 1.00
 25 TRP  HB2    27 TYR  QD      4.26            #peak 46 #SUP 1.00
 25 TRP  HB2    27 TYR  H       4.65            #peak 47 #SUP 0.96 #QF 0.96
 22 ARG  HB3    25 TRP  HD1     5.50            #peak 49 #SUP 0.65 #QF 0.65
 22 ARG  HB3    27 TYR  H       5.43            #peak 50 #SUP 0.96 #QF 0.96
 22 ARG  HB2    27 TYR  H       4.30            #peak 52 #SUP 1.00
 27 TYR  QD     29 ALA  QB      5.28            #peak 53 #SUP 0.98 #QF 0.82
  5 LEU  HG     27 TYR  QD      5.50            #peak 55 #SUP 0.79 #QF 0.79
  5 LEU  QD2    27 TYR  QD      4.62            #peak 56 #SUP 0.97 #QF 0.97
 29 ALA  QB     34 PHE  QD      4.05            #peak 63 #SUP 0.71 #QF 0.71
 19 LEU  HG     30 TRP  HZ3     4.67            #peak 65 #SUP 1.00
 19 LEU  HG     30 TRP  HH2     5.50            #peak 66 #SUP 0.73 #QF 0.24
 19 LEU  QD1    30 TRP  HZ2     5.50            #peak 71 #SUP 0.99 #QF 0.99
  4 TYR  QD     19 LEU  QD1     4.61            #peak 74 #SUP 0.99 #QF 0.99
  5 LEU  QD2    30 TRP  HD1     4.57            #peak 77 #SUP 0.97 #QF 0.97
  5 LEU  QD2     6 PHE  QE      4.01            #peak 78 #SUP 0.95 #QF 0.95
  5 LEU  QD1     6 PHE  QE      4.52            #peak 79 #SUP 0.84 #QF 0.84
 19 LEU  QD2    30 TRP  HH2     4.48            #peak 81 #SUP 0.98 #QF 0.98
  4 TYR  QD     19 LEU  QD2     5.50            #peak 82 #SUP 0.94 #QF 0.94
 19 LEU  QD2    30 TRP  HZ3     4.49            #peak 83 #SUP 1.00
 19 LEU  QD2    30 TRP  HD1     4.80            #peak 84 #SUP 0.99 #QF 0.99
 25 TRP  H      25 TRP  HB2     3.83            #peak 85 #SUP 0.96 #QF 0.96
 25 TRP  HB2    25 TRP  HE3     4.21            #peak 86 #SUP 1.00
 26 LYS  H      26 LYS  HB2     4.03            #peak 87 #SUP 1.00
 19 LEU  H      19 LEU  HB2     3.53            #peak 91 #SUP 0.97 #QF 0.97
  3 ARG  HB3     4 TYR  H       4.39            #peak 92 #SUP 1.00
 22 ARG  HB3    26 LYS  H       5.03            #peak 93 #SUP 0.91 #QF 0.91
 22 ARG  HB3    25 TRP  H       4.54            #peak 94 #SUP 0.99 #QF 0.99
 22 ARG  HB3    22 ARG  HE      4.01            #peak 96 #SUP 0.99 #QF 0.99
  3 ARG  HB2     4 TYR  H       3.96            #peak 99 #SUP 1.00
 17 LYS  H      17 LYS  HB2     3.68            #peak 100 #SUP 0.97 #QF 0.97
 22 ARG  HB2    26 LYS  H       5.12            #peak 101 #SUP 0.84 #QF 0.84
 22 ARG  HB2    25 TRP  H       3.97            #peak 102 #SUP 0.99 #QF 0.22
 22 ARG  HB2    22 ARG  HE      4.16            #peak 103 #SUP 1.00
 12 THR  QG2    23 SER  H       5.34            #peak 106 #SUP 0.94 #QF 0.94
 19 LEU  H      19 LEU  HG      3.57            #peak 108 #SUP 0.97 #QF 0.97
 19 LEU  HG     30 TRP  HE3     4.33            #peak 109 #SUP 1.00
 19 LEU  H      19 LEU  HB3     4.13            #peak 112 #SUP 1.00
 28 CYSS H      28 CYSS HB2     3.56            #peak 117 #SUP 0.94 #QF 0.94
  6 PHE  H      28 CYSS HB2     5.20            #peak 118 #SUP 0.79 #QF 0.79
 27 TYR  HB2    28 CYSS H       3.65            #peak 126 #SUP 1.00
 28 CYSS H      28 CYSS HB3     3.98            #peak 130 #SUP 1.00
 21 CYSS H      21 CYSS HB3     3.63            #peak 132 #SUP 0.98 #QF 0.98
 20 SER  QB     21 CYSS H       3.57            #peak 144 #SUP 0.65 #QF 0.65
  8 GLY  H       9 CYSS QB      5.50            #peak 153 #SUP 0.34 #QF 0.34
 27 TYR  HA     28 CYSS H       3.26            #peak 154 #SUP 1.00
 15 CYSS HA     16 CYSS H       3.23            #peak 155 #SUP 0.93 #QF 0.93
  3 ARG  H      15 CYSS HA      3.78            #peak 156 #SUP 0.87 #QF 0.87
  9 CYSS HA     10 SER  H       3.21            #peak 157 #SUP 0.92 #QF 0.92
  2 CYSS HA      3 ARG  H       3.14            #peak 160 #SUP 0.86 #QF 0.86
 22 ARG  H      28 CYSS HA      4.47            #peak 168 #SUP 0.44 #QF 0.44
 20 SER  HA     21 CYSS H       3.30            #peak 169 #SUP 0.96 #QF 0.96
 30 TRP  HA     31 ASP  H       3.49            #peak 170 #SUP 0.97 #QF 0.97
 21 CYSS HA     22 ARG  H       3.25            #peak 174 #SUP 0.76 #QF 0.76
  7 GLY  HA3     8 GLY  H       2.73            #peak 179 #SUP 0.87 #QF 0.87
  1 GLU  HA      2 CYSS H       3.00            #peak 181 #SUP 0.89 #QF 0.89
  9 CYSS H      27 TYR  HA      3.74            #peak 186 #SUP 0.98 #QF 0.98
 19 LEU  HA     30 TRP  HE3     4.86            #peak 189 #SUP 0.97 #QF 0.97
 30 TRP  HA     32 GLY  H       5.50            #peak 192 #SUP 1.00 #QF 0.99
 30 TRP  HA     30 TRP  HE3     3.90            #peak 193 #SUP 0.91 #QF 0.91
 25 TRP  HA     25 TRP  HE3     4.39            #peak 196 #SUP 0.93 #QF 0.93
 29 ALA  HA     30 TRP  H       3.25            #peak 198 #SUP 0.98 #QF 0.92
 16 CYSS HA     17 LYS  H       3.40            #peak 202 #SUP 0.98 #QF 0.98
  8 GLY  HA3     9 CYSS H       3.50            #peak 203 #SUP 0.99 #QF 0.99
  3 ARG  HA      4 TYR  H       2.88            #peak 204 #SUP 0.85 #QF 0.85
 33 THR  HA     34 PHE  H       3.40            #peak 205 #SUP 0.89 #QF 0.89
 33 THR  HB     34 PHE  H       4.25            #peak 210 #SUP 1.00
  4 TYR  H       7 GLY  HA2     5.37            #peak 228 #SUP 0.99 #QF 0.99
 16 CYSS HB2    17 LYS  H       3.60            #peak 232 #SUP 0.99 #QF 0.99
  3 ARG  HD2     4 TYR  H       5.02            #peak 233 #SUP 1.00
 25 TRP  HB3    25 TRP  HE3     4.21            #peak 239 #SUP 1.00
 27 TYR  HA     27 TYR  QD      4.36            #peak 247 #SUP 1.00
 30 TRP  HA     30 TRP  HD1     4.91            #peak 249 #SUP 0.99 #QF 0.99
 25 TRP  HA     25 TRP  HD1     3.98            #peak 251 #SUP 0.89 #QF 0.89
 27 TYR  QE     29 ALA  HA      4.47            #peak 253 #SUP 0.93 #QF 0.93
 34 PHE  HA     34 PHE  QD      4.08            #peak 256 #SUP 1.00
  3 ARG  HA      4 TYR  QD      5.06            #peak 259 #SUP 0.97 #QF 0.97
  4 TYR  HA      4 TYR  QD      3.71            #peak 261 #SUP 1.00
  6 PHE  HA     27 TYR  QD      4.37            #peak 268 #SUP 0.61 #QF 0.61
 18 HIS  HB3    30 TRP  HZ3     4.34            #peak 271 #SUP 0.99 #QF 0.99
 25 TRP  HB3    27 TYR  QD      4.01            #peak 279 #SUP 0.98 #QF 0.98
 25 TRP  HB3    27 TYR  QE      3.89            #peak 280 #SUP 0.98 #QF 0.98
  4 TYR  HB2     5 LEU  H       3.26            #peak 282 #SUP 1.00
 30 TRP  HB3    34 PHE  QE      5.50            #peak 284 #SUP 1.00
 15 CYSS H      15 CYSS HB2     3.49            #peak 293 #SUP 0.90 #QF 0.90
 22 ARG  HD3    27 TYR  QE      5.50            #peak 300 #SUP 0.97 #QF 0.97
  8 GLY  HA3    27 TYR  HA      3.77            #peak 303 #SUP 0.99 #QF 0.99
 30 TRP  HE3    31 ASP  H       4.67            #peak 321 #SUP 0.99 #QF 0.99
 31 ASP  H      32 GLY  H       4.45            #peak 324 #SUP 0.97 #QF 0.97
  5 LEU  H       6 PHE  H       4.58            #peak 330 #SUP 1.00 #QF 0.95
  6 PHE  H       6 PHE  QD      4.83            #peak 330 #SUP 1.00 #QF 0.95
 25 TRP  HE3    27 TYR  QE      4.56            #peak 332 #SUP 0.92 #QF 0.92
 22 ARG  H      27 TYR  H       4.34            #peak 337 #SUP 0.98 #QF 0.98
 26 LYS  H      27 TYR  H       3.93            #peak 338 #SUP 0.96 #QF 0.96
 30 TRP  HD1    31 ASP  H       5.50            #peak 340 #SUP 1.00
  4 TYR  H       4 TYR  QD      4.16            #peak 342 #SUP 0.99 #QF 0.99
 25 TRP  H      25 TRP  HD1     4.86            #peak 344 #SUP 0.99 #QF 0.99
 23 SER  H      24 ASP  H       3.85            #peak 353 #SUP 0.97 #QF 0.97
  8 GLY  H       9 CYSS H       5.23            #peak 363 #SUP 1.00
 17 LYS  H      18 HIS  H       3.73            #peak 366 #SUP 0.87 #QF 0.69
 18 HIS  H      19 LEU  H       3.92            #peak 366 #SUP 0.87 #QF 0.69
 22 ARG  H      29 ALA  H       5.38            #peak 373 #SUP 0.82 #QF 0.82
 12 THR  H      21 CYSS H       5.25            #peak 374 #SUP 0.98 #QF 0.98
 21 CYSS H      22 ARG  H       5.07            #peak 378 #SUP 1.00
 20 SER  H      29 ALA  H       4.61            #peak 386 #SUP 0.96 #QF 0.96
 26 LYS  H      26 LYS  HG2     3.77            #peak 392 #SUP 0.99 #QF 0.99
 26 LYS  H      26 LYS  HG3     3.77            #peak 393 #SUP 0.99 #QF 0.99
 24 ASP  H      24 ASP  HB3     3.61            #peak 398 #SUP 0.97 #QF 0.97
  9 CYSS HA     11 SER  H       4.49            #peak 405 #SUP 0.98 #QF 0.98
 10 SER  H      10 SER  HB2     4.08            #peak 406 #SUP 0.99 #QF 0.99
 17 LYS  H      17 LYS  QD      5.49            #peak 439 #SUP 1.00
  3 ARG  H       3 ARG  HD3     5.25            #peak 447 #SUP 1.00
  3 ARG  H       3 ARG  HD2     5.49            #peak 448 #SUP 1.00
  3 ARG  H       3 ARG  HG2     3.58            #peak 449 #SUP 0.97 #QF 0.97
 12 THR  H      12 THR  HB      3.84            #peak 495 #SUP 0.88 #QF 0.88
 12 THR  H      12 THR  QG2     4.50            #peak 497 #SUP 1.00
  2 CYSS H       2 CYSS HB2     4.05            #peak 505 #SUP 1.00
  2 CYSS H       2 CYSS HB3     4.05            #peak 506 #SUP 0.98 #QF 0.98
  3 ARG  HB3     3 ARG  HD2     4.00            #peak 519 #SUP 1.00
  3 ARG  HB3     3 ARG  HD3     3.91            #peak 520 #SUP 1.00
  3 ARG  HB2     3 ARG  HG2     3.00            #peak 530 #SUP 1.00
  3 ARG  HB3     3 ARG  HG3     2.94            #peak 532 #SUP 1.00
  3 ARG  HB2     3 ARG  HD3     3.91            #peak 537 #SUP 1.00
  3 ARG  HB2     3 ARG  HD2     3.94            #peak 538 #SUP 1.00
  3 ARG  HA      3 ARG  HD2     4.30            #peak 568 #SUP 0.99 #QF 0.99
  3 ARG  HA      3 ARG  HD3     3.87            #peak 569 #SUP 0.95 #QF 0.95
  3 ARG  HA      3 ARG  HG2     3.99            #peak 570 #SUP 1.00
  3 ARG  HA      3 ARG  HG3     4.06            #peak 572 #SUP 1.00
  4 TYR  H       4 TYR  HB3     3.46            #peak 575 #SUP 0.99 #QF 0.99
  4 TYR  H       4 TYR  HB2     3.73            #peak 576 #SUP 1.00
  5 LEU  HA      5 LEU  QD1     3.98            #peak 610 #SUP 1.00
  5 LEU  HA      5 LEU  QD2     3.24            #peak 611 #SUP 0.96 #QF 0.96
  5 LEU  HA      5 LEU  HG      3.47            #peak 612 #SUP 1.00 #QF 0.96
  5 LEU  HA     19 LEU  QD1     3.80            #peak 612 #SUP 1.00 #QF 0.96
  5 LEU  HB3     5 LEU  QD2     3.92            #peak 614 #SUP 1.00
  5 LEU  HB3     5 LEU  QD1     3.60            #peak 615 #SUP 1.00
  5 LEU  HB2     5 LEU  QD2     3.60            #peak 617 #SUP 1.00
  5 LEU  HB2     5 LEU  QD1     3.91            #peak 618 #SUP 1.00
  9 CYSS H       9 CYSS QB      4.05            #peak 658 #SUP 1.00
  9 CYSS HA      9 CYSS QB      3.02            #peak 659 #SUP 1.00
 10 SER  H      10 SER  HB3     4.08            #peak 666 #SUP 1.00
 12 THR  HA     12 THR  QG2     3.28            #peak 685 #SUP 1.00
 13 SER  H      13 SER  QB      3.35            #peak 687 #SUP 1.00
 13 SER  HA     13 SER  QB      2.81            #peak 692 #SUP 1.00
 16 CYSS H      16 CYSS HB2     3.87            #peak 716 #SUP 0.99 #QF 0.28
 17 LYS  H      17 LYS  HB3     3.68            #peak 727 #SUP 1.00
 17 LYS  HA     17 LYS  HG3     4.18            #peak 746 #SUP 1.00
 17 LYS  HA     17 LYS  HG2     4.18            #peak 747 #SUP 0.99 #QF 0.99
 17 LYS  HA     17 LYS  QD      4.28            #peak 749 #SUP 1.00
 17 LYS  H      19 LEU  QD1     4.29            #peak 801 #SUP 1.00 #QF 0.48
 19 LEU  HA     19 LEU  QD1     4.72            #peak 802 #SUP 1.00
 19 LEU  HA     19 LEU  HG      3.94            #peak 804 #SUP 1.00
 19 LEU  HB2    19 LEU  QD1     3.45            #peak 822 #SUP 1.00
 19 LEU  HB2    19 LEU  QD2     3.97            #peak 823 #SUP 1.00
 19 LEU  HB3    19 LEU  QD2     3.62            #peak 825 #SUP 1.00
 19 LEU  HB3    19 LEU  QD1     3.63            #peak 829 #SUP 1.00
 20 SER  H      20 SER  QB      3.91            #peak 836 #SUP 1.00
 21 CYSS H      21 CYSS HB2     3.63            #peak 838 #SUP 0.99 #QF 0.99
 22 ARG  HA     22 ARG  HD3     4.95            #peak 866 #SUP 1.00
 22 ARG  HA     22 ARG  HD2     4.95            #peak 867 #SUP 1.00 #QF 0.20
 22 ARG  H      22 ARG  HG2     4.07            #peak 883 #SUP 0.97 #QF 0.97
 22 ARG  H      22 ARG  HG3     4.07            #peak 884 #SUP 1.00
 22 ARG  HA     22 ARG  HG3     4.05            #peak 887 #SUP 1.00
 22 ARG  HA     22 ARG  HG2     4.05            #peak 888 #SUP 1.00
 23 SER  H      23 SER  HB3     3.55            #peak 916 #SUP 0.99 #QF 0.99
 23 SER  H      23 SER  HB2     3.55            #peak 917 #SUP 0.98 #QF 0.98
 24 ASP  H      24 ASP  HB2     3.61            #peak 926 #SUP 0.98 #QF 0.98
 25 TRP  H      25 TRP  HB3     4.07            #peak 933 #SUP 1.00
 26 LYS  HA     26 LYS  HD2     5.08            #peak 959 #SUP 1.00
 26 LYS  HA     26 LYS  HD3     5.08            #peak 960 #SUP 0.92 #QF 0.24
 26 LYS  HA     26 LYS  HG3     3.53            #peak 1007 #SUP 0.99 #QF 0.99
 26 LYS  HA     26 LYS  HG2     3.53            #peak 1008 #SUP 0.99 #QF 0.99
 27 TYR  HB3    28 CYSS H       4.22            #peak 1012 #SUP 1.00
 29 ALA  H      29 ALA  QB      3.66            #peak 1037 #SUP 1.00
 30 TRP  H      30 TRP  HB2     3.71            #peak 1042 #SUP 1.00
 30 TRP  H      30 TRP  HB3     3.71            #peak 1043 #SUP 1.00
 30 TRP  H      30 TRP  HD1     4.43            #peak 1060 #SUP 0.96 #QF 0.96
 30 TRP  HE3    32 GLY  H       4.56            #peak 1074 #SUP 0.81 #QF 0.81
 30 TRP  HB2    34 PHE  QE      5.50            #peak 1085 #SUP 0.35 #QF 0.35
 31 ASP  H      31 ASP  HB3     3.98            #peak 1088 #SUP 1.00
 31 ASP  H      31 ASP  HB2     3.98            #peak 1094 #SUP 0.99 #QF 0.99
 33 THR  H      33 THR  HB      4.13            #peak 1102 #SUP 1.00
 33 THR  HA     33 THR  QG2     3.57            #peak 1109 #SUP 1.00
 33 THR  H      33 THR  QG2     3.94            #peak 1110 #SUP 0.97 #QF 0.97
 34 PHE  HA     35 SER  H       3.29            #peak 1114 #SUP 1.00 #QF 0.99
 18 HIS  HA     18 HIS  HD2     4.43            #peak 1124 #SUP 0.99 #QF 0.99
 34 PHE  HA     34 PHE  QE      4.56            #peak 1126 #SUP 0.55 #QF 0.55
 18 HIS  H      18 HIS  HD2     5.14            #peak 1134 #SUP 0.94 #QF 0.94
  4 TYR  QD      5 LEU  H       4.15            #peak 1157 #SUP 1.00 #QF 0.96
  4 TYR  QD      6 PHE  QD      4.64            #peak 1157 #SUP 1.00 #QF 0.96
  4 TYR  QD      6 PHE  HB3     4.63            #peak 1161 #SUP 0.96 #QF 0.96
  6 PHE  HA      6 PHE  QD      3.51            #peak 1164 #SUP 0.99 #QF 0.99
  4 TYR  QD      6 PHE  HA      4.67            #peak 1165 #SUP 0.98 #QF 0.98
  6 PHE  HA      6 PHE  QE      4.67            #peak 1170 #SUP 1.00
 25 TRP  HB3    25 TRP  HZ3     4.85            #peak 1194 #SUP 0.71 #QF 0.71
 27 TYR  H      27 TYR  QE      4.26            #peak 1197 #SUP 1.00
 27 TYR  H      27 TYR  QD      2.40            #peak 1198 #SUP 0.54 #QF 0.54
 34 PHE  H      34 PHE  QD      4.47            #peak 1216 #SUP 0.95 #QF 0.92
 34 PHE  QD     35 SER  H       4.86            #peak 1216 #SUP 0.95 #QF 0.92
 12 THR  HA     15 CYSS H       4.68            #peak 1233 #SUP 1.00 #QF 0.23
 19 LEU  HB3    29 ALA  H       4.77            #peak 1256 #SUP 0.96 #QF 0.96
 28 CYSS HB3    29 ALA  H       4.46            #peak 1259 #SUP 1.00
 12 THR  H      21 CYSS HB2     4.76            #peak 1283 #SUP 0.99 #QF 0.99
 19 LEU  HB2    20 SER  H       4.55            #peak 1287 #SUP 1.00
 20 SER  H      29 ALA  QB      5.18            #peak 1288 #SUP 0.99 #QF 0.99
 19 LEU  HB3    20 SER  H       4.02            #peak 1290 #SUP 0.92 #QF 0.92
  2 CYSS H       3 ARG  H       4.65            #peak 1304 #SUP 1.00
  7 GLY  H       8 GLY  H       5.11            #peak 1307 #SUP 1.00
 10 SER  H      11 SER  H       3.09            #peak 1310 #SUP 0.98 #QF 0.98
 16 CYSS H      17 LYS  H       5.32            #peak 1311 #SUP 1.00
 27 TYR  QD     28 CYSS H       4.25            #peak 1313 #SUP 1.00
  4 TYR  QE      6 PHE  H       3.98            #peak 1314 #SUP 0.62 #QF 0.62
  8 GLY  HA2    28 CYSS H       3.93            #peak 1321 #SUP 0.77 #QF 0.77
  6 PHE  H       7 GLY  HA2     5.10            #peak 1322 #SUP 0.26 #QF 0.26
  2 CYSS HB3     3 ARG  H       4.05            #peak 1325 #SUP 0.95 #QF 0.92
  2 CYSS HB2     3 ARG  H       4.05            #peak 1328 #SUP 0.98 #QF 0.98
  9 CYSS QB     10 SER  H       3.53            #peak 1330 #SUP 0.99 #QF 0.99
  6 PHE  H       6 PHE  HB2     3.01            #peak 1332 #SUP 0.47 #QF 0.47
 15 CYSS HB3    16 CYSS H       4.00            #peak 1334 #SUP 1.00
  2 CYSS HB3    16 CYSS H       4.37            #peak 1335 #SUP 0.98 #QF 0.36
  7 GLY  H      28 CYSS HB2     4.22            #peak 1337 #SUP 0.95 #QF 0.95
 15 CYSS HB2    16 CYSS H       4.50            #peak 1338 #SUP 1.00
  2 CYSS HB2    16 CYSS H       4.37            #peak 1339 #SUP 0.90 #QF 0.90
  3 ARG  HB2     7 GLY  H       4.84            #peak 1348 #SUP 1.00
  5 LEU  HG      6 PHE  H       5.50            #peak 1351 #SUP 1.00 #QF 0.21
  6 PHE  H      19 LEU  QD1     5.45            #peak 1351 #SUP 1.00 #QF 0.21
 16 CYSS H      19 LEU  QD1     3.92            #peak 1355 #SUP 0.98 #QF 0.98
  8 GLY  HA3    28 CYSS H       4.81            #peak 1361 #SUP 1.00
 17 LYS  HA     18 HIS  H       2.98            #peak 1369 #SUP 0.98 #QF 0.98
 13 SER  QB     14 ASP  H       4.11            #peak 1370 #SUP 1.00
  1 GLU  QG      2 CYSS H       4.84            #peak 1376 #SUP 1.00
 17 LYS  HB2    18 HIS  H       4.58            #peak 1379 #SUP 1.00
  3 ARG  HG3     8 GLY  H       4.91            #peak 1383 #SUP 0.98 #QF 0.98
 19 LEU  HA     31 ASP  H       4.68            #peak 1393 #SUP 0.78 #QF 0.78
  3 ARG  HD2     8 GLY  H       5.50            #peak 1396 #SUP 0.97 #QF 0.97
 17 LYS  QD     18 HIS  H       5.50            #peak 1398 #SUP 0.97 #QF 0.97
 25 TRP  H      26 LYS  H       3.48            #peak 1400 #SUP 0.99 #QF 0.99
 10 SER  HB3    11 SER  H       4.30            #peak 1406 #SUP 1.00
 10 SER  HB2    11 SER  H       4.30            #peak 1407 #SUP 0.96 #QF 0.96
  9 CYSS QB     11 SER  H       3.60            #peak 1409 #SUP 0.98 #QF 0.98
  3 ARG  HG3     4 TYR  H       5.20            #peak 1411 #SUP 1.00
 33 THR  QG2    34 PHE  H       4.64            #peak 1417 #SUP 0.78 #QF 0.78
  8 GLY  HA2     9 CYSS H       3.56            #peak 1428 #SUP 1.00
  9 CYSS H      27 TYR  HB3     5.08            #peak 1435 #SUP 0.84 #QF 0.73
 31 ASP  HB2    32 GLY  H       4.56            #peak 1439 #SUP 0.98 #QF 0.98
 31 ASP  HB3    32 GLY  H       4.56            #peak 1440 #SUP 1.00
 16 CYSS HB3    17 LYS  H       4.33            #peak 1443 #SUP 1.00
  5 LEU  HG     30 TRP  H       4.57            #peak 1447 #SUP 0.87 #QF 0.87
 19 LEU  QD1    30 TRP  HE3     5.20            #peak 1462 #SUP 1.00
 19 LEU  QD1    30 TRP  HH2     4.33            #peak 1472 #SUP 0.61 #QF 0.61
  5 LEU  HG     30 TRP  HD1     5.14            #peak 1473 #SUP 0.99 #QF 0.99
 18 HIS  HB2    30 TRP  HZ3     4.34            #peak 1480 #SUP 0.98 #QF 0.98
 19 LEU  QD1    30 TRP  HZ3     4.91            #peak 1494 #SUP 1.00
  4 TYR  QE      6 PHE  HB2     4.83            #peak 1504 #SUP 0.68 #QF 0.52
 26 LYS  HB2    27 TYR  H       4.96            #peak 1514 #SUP 1.00
 22 ARG  HB2    27 TYR  QD      4.08            #peak 1523 #SUP 0.98 #QF 0.98
 22 ARG  HB2    27 TYR  QE      3.49            #peak 1524 #SUP 0.90 #QF 0.90
  8 GLY  HA2    27 TYR  HA      4.07            #peak 1531 #SUP 1.00
 12 THR  HA     20 SER  HA      4.17            #peak 1532 #SUP 0.97 #QF 0.97
  2 CYSS HA     16 CYSS HB2     5.08            #peak 1537 #SUP 0.26 #QF 0.26
 15 CYSS HB2    20 SER  HA      5.13            #peak 1540 #SUP 0.89 #QF 0.85
 15 CYSS HB2    28 CYSS HA      5.50            #peak 1540 #SUP 0.89 #QF 0.85
 20 SER  HA     21 CYSS HB2     5.47            #peak 1555 #SUP 0.75 #QF 0.56
 21 CYSS HB2    28 CYSS HA      5.50            #peak 1555 #SUP 0.75 #QF 0.56
 20 SER  HA     21 CYSS HB3     5.47            #peak 1556 #SUP 0.65 #QF 0.42
 21 CYSS HB3    28 CYSS HA      5.50            #peak 1556 #SUP 0.65 #QF 0.42
  3 ARG  HB2    15 CYSS HA      5.08            #peak 1564 #SUP 0.77 #QF 0.77
 12 THR  QG2    20 SER  HA      3.42            #peak 1568 #SUP 0.89 #QF 0.89
 15 CYSS HA     19 LEU  QD1     5.04            #peak 1574 #SUP 1.00
 33 THR  HB     34 PHE  HA      5.50            #peak 1580 #SUP 0.51 #QF 0.26
 34 PHE  HA     35 SER  HA      5.50            #peak 1580 #SUP 0.51 #QF 0.26
 20 SER  QB     21 CYSS HA      5.19            #peak 1582 #SUP 0.88 #QF 0.84
  9 CYSS QB     10 SER  HA      4.29            #peak 1585 #SUP 0.98 #QF 0.98
  8 GLY  HA3    27 TYR  HB2     4.90            #peak 1589 #SUP 1.00
  8 GLY  HA3    27 TYR  HB3     5.14            #peak 1590 #SUP 1.00
  3 ARG  HA      4 TYR  HB3     4.88            #peak 1591 #SUP 0.96 #QF 0.96
  5 LEU  HG     29 ALA  HA      4.24            #peak 1596 #SUP 0.90 #QF 0.90
 16 CYSS HA     19 LEU  QD1     5.50            #peak 1597 #SUP 0.70 #QF 0.70
  5 LEU  QD2    29 ALA  HA      3.74            #peak 1598 #SUP 0.88 #QF 0.88
  4 TYR  HA      5 LEU  HA      4.57            #peak 1603 #SUP 0.98 #QF 0.98
  4 TYR  HA     19 LEU  QD1     3.41            #peak 1610 #SUP 0.99 #QF 0.99
  3 ARG  HB2     7 GLY  HA3     4.22            #peak 1612 #SUP 0.98 #QF 0.98
 17 LYS  HA     18 HIS  HA      4.93            #peak 1617 #SUP 1.00
 16 CYSS HA     17 LYS  HA      4.69            #peak 1618 #SUP 1.00
  4 TYR  HA     19 LEU  QD2     4.78            #peak 1633 #SUP 1.00
 12 THR  QG2    13 SER  QB      5.50            #peak 1650 #SUP 0.47 #QF 0.31
 12 THR  HA     15 CYSS HB2     4.62            #peak 1659 #SUP 0.82 #QF 0.82
  8 GLY  HA2    27 TYR  HB2     3.73            #peak 1662 #SUP 0.85 #QF 0.85
  8 GLY  HA2    27 TYR  HB3     3.80            #peak 1671 #SUP 0.74 #QF 0.74
 12 THR  HA     21 CYSS HB3     3.59            #peak 1673 #SUP 0.99 #QF 0.99
  3 ARG  HD3     7 GLY  HA2     4.73            #peak 1680 #SUP 0.96 #QF 0.96
  3 ARG  HG3     7 GLY  HA2     5.27            #peak 1689 #SUP 0.96 #QF 0.96
  3 ARG  HB2     7 GLY  HA2     3.95            #peak 1690 #SUP 0.96 #QF 0.96
  5 LEU  HA     28 CYSS HB2     4.39            #peak 1697 #SUP 0.94 #QF 0.94
  5 LEU  HA     28 CYSS HB3     5.09            #peak 1699 #SUP 0.99 #QF 0.99
  3 ARG  HG2     7 GLY  HA2     5.50            #peak 1700 #SUP 1.00
  3 ARG  HB3     7 GLY  HA2     4.17            #peak 1701 #SUP 0.99 #QF 0.99
  5 LEU  HA     19 LEU  QD2     3.54            #peak 1708 #SUP 0.99 #QF 0.99
 15 CYSS HB3    28 CYSS HB3     4.60            #peak 1710 #SUP 1.00
 15 CYSS HB3    19 LEU  HB2     3.29            #peak 1711 #SUP 1.00
 19 LEU  HB2    28 CYSS HB2     4.71            #peak 1713 #SUP 0.98 #QF 0.98
 19 LEU  HB3    28 CYSS HB2     4.26            #peak 1720 #SUP 1.00
 19 LEU  QD1    28 CYSS HB2     4.33            #peak 1721 #SUP 1.00 #QF 0.88
  4 TYR  HB2    19 LEU  QD1     4.34            #peak 1723 #SUP 1.00 #QF 0.59
 15 CYSS HB3    19 LEU  QD1     4.48            #peak 1723 #SUP 1.00 #QF 0.59
 12 THR  QG2    15 CYSS HB2     4.97            #peak 1728 #SUP 1.00
 15 CYSS HB2    19 LEU  HB3     4.79            #peak 1730 #SUP 1.00
  4 TYR  HB3    19 LEU  QD1     4.63            #peak 1732 #SUP 0.40 #QF 0.40
 15 CYSS HB2    19 LEU  QD1     5.07            #peak 1733 #SUP 1.00
 15 CYSS HB2    19 LEU  HB2     3.76            #peak 1734 #SUP 0.98 #QF 0.98
  3 ARG  HB3     4 TYR  HB3     5.50            #peak 1737 #SUP 0.98 #QF 0.98
 19 LEU  QD2    28 CYSS HB2     4.36            #peak 1747 #SUP 1.00
  4 TYR  HB2    19 LEU  QD2     4.55            #peak 1748 #SUP 0.59 #QF 0.59
 15 CYSS HB3    19 LEU  HG      4.76            #peak 1764 #SUP 0.74 #QF 0.74
  4 TYR  HB2     5 LEU  HB3     4.67            #peak 1765 #SUP 0.44 #QF 0.44
 15 CYSS HB3    19 LEU  HB3     3.82            #peak 1766 #SUP 1.00
 19 LEU  HB2    28 CYSS HB3     4.02            #peak 1779 #SUP 1.00
 19 LEU  QD1    28 CYSS HB3     3.87            #peak 1785 #SUP 1.00 #QF 0.77
 19 LEU  QD2    28 CYSS HB3     3.96            #peak 1786 #SUP 1.00
 19 LEU  HB3    28 CYSS HB3     3.62            #peak 1788 #SUP 1.00
 22 ARG  HB2    25 TRP  HB2     4.74            #peak 1790 #SUP 1.00
  5 LEU  HG     29 ALA  QB      5.09            #peak 1800 #SUP 1.00
  5 LEU  QD2    29 ALA  QB      4.05            #peak 1803 #SUP 0.99 #QF 0.99
 19 LEU  QD2    29 ALA  QB      4.82            #peak 1804 #SUP 0.95 #QF 0.95
  5 LEU  HB2    19 LEU  QD2     4.12            #peak 1807 #SUP 1.00
  5 LEU  QD2    19 LEU  QD2     4.06            #peak 1808 #SUP 1.00
  5 LEU  HB3    19 LEU  QD2     4.68            #peak 1809 #SUP 1.00
 25 TRP  HB3    27 TYR  HB3     4.09            #peak 1822 #SUP 0.33 #QF 0.33
  9 CYSS QB     21 CYSS HB3     4.49            #peak 1823 #SUP 0.90 #QF 0.90
  9 CYSS QB     21 CYSS HB2     4.49            #peak 1825 #SUP 0.87 #QF 0.87
  3 ARG  HD2     7 GLY  HA2     4.26            #peak 1826 #SUP 1.00
 12 THR  H      21 CYSS HB3     4.76            #peak 1844 #SUP 1.00
 12 THR  HA     13 SER  H       3.49            #peak 1848 #SUP 0.94 #QF 0.94
 29 ALA  QB     30 TRP  H       3.52            #peak 1856 #SUP 0.88 #QF 0.88
  6 PHE  H       7 GLY  H       3.74            #peak 1872 #SUP 0.55 #QF 0.43
  4 TYR  HB3     5 LEU  H       3.69            #peak 1885 #SUP 0.99 #QF 0.99
  4 TYR  H       8 GLY  H       5.27            #peak 1888 #SUP 0.62 #QF 0.62
  9 CYSS H      26 LYS  HB3     4.74            #peak 1899 #SUP 0.26 #QF 0.26
 29 ALA  QB     34 PHE  QE      4.01            #peak 1903 #SUP 0.66 #QF 0.66
 27 TYR  QD     29 ALA  HA      4.99            #peak 1907 #SUP 0.93 #QF 0.93
 26 LYS  HB2    27 TYR  QD      5.17            #peak 1909 #SUP 0.50 #QF 0.50
 22 ARG  HD2    27 TYR  QE      5.50            #peak 1910 #SUP 0.91 #QF 0.23
 12 THR  QG2    20 SER  QB      3.52            #peak 1917 #SUP 0.98 #QF 0.98
  4 TYR  QD      6 PHE  HB2     4.70            #peak 1925 #SUP 1.00
 12 THR  HA     21 CYSS HB2     3.59            #peak 1953 #SUP 1.00
  9 CYSS H      26 LYS  HB2     4.97            #peak 1965 #SUP 0.68 #QF 0.24
 15 CYSS HA     19 LEU  HB2     4.63            #peak 1967 #SUP 0.90 #QF 0.90
 20 SER  QB     29 ALA  QB      4.86            #peak 1980 #SUP 0.94 #QF 0.94
 20 SER  HA     29 ALA  QB      4.65            #peak 1982 #SUP 0.94 #QF 0.94
  5 LEU  HA     29 ALA  QB      5.34            #peak 1984 #SUP 0.99 #QF 0.99
  4 TYR  QD      5 LEU  HB2     5.17            #peak 2013 #SUP 1.00
  5 LEU  HB3     6 PHE  QE      4.99            #peak 2015 #SUP 0.60 #QF 0.60
  4 TYR  QD      5 LEU  HB3     4.33            #peak 2016 #SUP 0.96 #QF 0.96
 15 CYSS HB3    17 LYS  H       5.21            #peak 2018 #SUP 0.86 #QF 0.58
 15 CYSS HB3    19 LEU  H       5.37            #peak 2018 #SUP 0.86 #QF 0.58
  7 GLY  H      28 CYSS H       4.70            #peak 2020 #SUP 0.95 #QF 0.95
  2 CYSS H       2 CYSS QB      3.42            #peak 506
  2 CYSS QB      3 ARG  H       3.36            #peak 1328
  2 CYSS QB     15 CYSS HA      4.55            #peak 1550
  2 CYSS QB     16 CYSS H       3.79            #peak 1339
  2 CYSS QB     16 CYSS HA      4.66            #peak 1586
  2 CYSS QB     17 LYS  H       4.36            #peak 1951
  9 CYSS QB     10 SER  QB      4.60            #peak 1636
  9 CYSS QB     11 SER  QB      4.63            #peak 1658
  9 CYSS QB     21 CYSS QB      3.85            #peak 1823
 10 SER  H      10 SER  QB      3.57            #peak 406
 10 SER  HA     26 LYS  QD      4.73            #peak 1595
 10 SER  QB     26 LYS  QD      4.62            #peak 960
 11 SER  QB     12 THR  H       3.81            #peak 1280
 11 SER  QB     13 SER  H       3.75            #peak 688
 12 THR  H      21 CYSS QB      4.08            #peak 1283
 12 THR  HA     21 CYSS QB      3.08            #peak 1673
 12 THR  QG2    21 CYSS QB      4.02            #peak 1952
 12 THR  QG2    23 SER  QB      5.34            #peak 1650
 17 LYS  H      17 LYS  QB      3.02            #peak 100
 17 LYS  H      17 LYS  QG      4.08            #peak 442
 17 LYS  HA     17 LYS  QG      3.52            #peak 747
 17 LYS  QB     17 LYS  QD      3.23            #peak 776
 17 LYS  QB     18 HIS  H       4.02            #peak 1379
 17 LYS  QB     30 TRP  HH2     5.34            #peak 62
 17 LYS  QG     18 HIS  H       4.89            #peak 23
 17 LYS  QG     30 TRP  HH2     5.32            #peak 66
 18 HIS  QB     19 LEU  QD1     5.34            #peak 2023
 18 HIS  QB     30 TRP  HE3     4.22            #peak 1464
 18 HIS  QB     30 TRP  HH2     4.79            #peak 1139
 19 LEU  QD2    30 TRP  QB      4.56            #peak 1922
 20 SER  HA     21 CYSS QB      4.80            #peak 1556
 22 ARG  H      22 ARG  QG      3.29            #peak 883
 22 ARG  HA     22 ARG  QG      3.45            #peak 888
 22 ARG  HA     22 ARG  QD      4.22            #peak 866
 22 ARG  HB2    22 ARG  QG      2.42            #peak 910
 22 ARG  HB2    22 ARG  QD      3.57            #peak 873
 22 ARG  HB3    24 ASP  QB      4.83            #peak 1948
 22 ARG  QG     22 ARG  HE      3.68            #peak 855
 22 ARG  QG     25 TRP  HB2     5.34            #peak 1776
 22 ARG  QG     27 TYR  H       4.91            #peak 1987
 22 ARG  QG     27 TYR  QD      4.81            #peak 53
 22 ARG  QG     27 TYR  QE      4.33            #peak 37
 23 SER  H      23 SER  QB      3.04            #peak 917
 23 SER  QB     24 ASP  H       4.25            #peak 1453
 26 LYS  H      26 LYS  QD      5.33            #peak 98
 26 LYS  HA     26 LYS  QD      4.42            #peak 959
 29 ALA  QB     30 TRP  QB      4.87            #peak 1762
 30 TRP  QB     30 TRP  HE3     3.57            #peak 231
 30 TRP  QB     31 ASP  H       4.27            #peak 150
 30 TRP  QB     34 PHE  QE      4.69            #peak 1085
 30 TRP  QB     34 PHE  HZ      5.34            #peak 284
 31 ASP  H      31 ASP  QB      3.45            #peak 1094
 31 ASP  QB     32 GLY  H       3.96            #peak 1439
 34 PHE  H      34 PHE  QB      3.26            #peak 289
 34 PHE  HA     35 SER  QB      5.34            #peak 1582
 34 PHE  QB     35 SER  H       4.30            #peak 1224
  2  CYSS  PHI  -143.0   -51.0   1.00  #
  2  CYSS  PSI   111.0   179.0   1.00  #
  3  ARG  PHI  -146.0   -30.0   1.00  #
  3  ARG  PSI   104.0   172.0   1.00  #
  4  TYR  PHI  -160.0   -44.0   1.00  #
  4  TYR  PSI   132.0   184.0   1.00  #
  5  LEU  PHI   -72.0   -44.0   1.00  #
  5  LEU  PSI   -47.0   -11.0   1.00  #
  6  PHE  PHI   -78.0   -54.0   1.00  #
  6  PHE  PSI   -64.0     0.0   1.00  #
  7  GLY  PHI  -114.0   -38.0   1.00  #
  7  GLY  PSI   -69.0    15.0   1.00  #
  9  CYSS  PHI  -157.0  -117.0   1.00  #
  9  CYSS  PSI   132.0   180.0   1.00  #
  11  SER  PHI  -169.0   -29.0   1.00  #
  11  SER  PSI    78.0   178.0   1.00  #
  12  THR  PHI   -71.0   -43.0   1.00  #
  12  THR  PSI   -54.0   -18.0   1.00  #
  13  SER  PHI   -74.0   -46.0   1.00  #
  13  SER  PSI   -65.0   -21.0   1.00  #
  14  ASP  PHI  -116.0   -72.0   1.00  #
  14  ASP  PSI   -40.0    44.0   1.00  #
  17  LYS  PHI  -110.0   -46.0   1.00  #
  17  LYS  PSI   -46.0    38.0   1.00  #
  18  HIS  PHI    50.0    74.0   1.00  #
  18  HIS  PSI     2.0    58.0   1.00  #
  19  LEU  PHI  -154.0   -54.0   1.00  #
  19  LEU  PSI   119.0   179.0   1.00  #
  20  SER  PHI  -142.0   -94.0   1.00  #
  20  SER  PSI   106.0   166.0   1.00  #
  21  CYSS  PHI  -156.0   -64.0   1.00  #
  21  CYSS  PSI    96.0   132.0   1.00  #
  22  ARG  PHI   -94.0   -54.0   1.00  #
  22  ARG  PSI    84.0   192.0   1.00  #
  23  SER  PHI   -76.0   -48.0   1.00  #
  23  SER  PSI   -53.0    -5.0   1.00  #
  24  ASP  PHI   -96.0   -48.0   1.00  #
  24  ASP  PSI   -59.0    21.0   1.00  #
  25  TRP  PHI  -120.0   -68.0   1.00  #
  25  TRP  PSI   -16.0    32.0   1.00  #
  26  LYS  PHI    51.0    67.0   1.00  #
  26  LYS  PSI    23.0    59.0   1.00  #
  27  TYR  PHI  -152.0   -92.0   1.00  #
  27  TYR  PSI   136.0   172.0   1.00  #
  28  CYSS  PHI  -149.0   -53.0   1.00  #
  28  CYSS  PSI    91.0   171.0   1.00  #
  29  ALA  PHI  -170.0   -74.0   1.00  #
  29  ALA  PSI   123.0   175.0   1.00  #
  30  TRP  PHI  -146.0   -14.0   1.00  #
  30  TRP  PSI   101.0   165.0   1.00  #
  31  ASP  PHI    31.0   115.0   1.00  #
  31  ASP  PSI   -29.0    71.0   1.00  #
  33  THR  PHI  -168.0   -36.0   1.00  #
  33  THR  PSI   133.0   177.0   1.00  #
  34  PHE  PHI  -134.0   -30.0   1.00  #
  34  PHE  PSI    88.0   160.0   1.00  #

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           H        GLU   1   0.403  -1.445  -1.451
    2    HA   GLU   1           HA       GLU   1   2.256   0.638  -1.684
    3    HB2  GLU   1           HB2      GLU   1   1.388  -0.890   0.776
    4    HB3  GLU   1           HB3      GLU   1   2.283   0.622   0.802
    5    HG2  GLU   1           HG2      GLU   1   0.476   1.848  -0.008
    6    HG3  GLU   1           HG3      GLU   1  -0.353   0.409  -0.598
    7    H    CYS   2           H        CYS   2   3.867  -0.711  -2.935
    8    HA   CYS   2           HA       CYS   2   5.878  -1.746  -1.057
    9    HB2  CYS   2           HB2      CYS   2   5.395  -2.940  -3.787
   10    HB3  CYS   2           HB3      CYS   2   6.437  -3.560  -2.510
   11    H    ARG   3           H        ARG   3   7.969  -1.171  -1.465
   12    HA   ARG   3           HA       ARG   3   8.511   0.361  -3.913
   13    HB2  ARG   3           HB2      ARG   3   9.527   1.189  -1.195
   14    HB3  ARG   3           HB3      ARG   3   9.647   2.082  -2.705
   15    HG2  ARG   3           HG2      ARG   3   6.912   1.636  -2.295
   16    HG3  ARG   3           HG3      ARG   3   7.572   2.117  -0.731
   17    HD2  ARG   3           HD2      ARG   3   8.598   4.084  -1.785
   18    HD3  ARG   3           HD3      ARG   3   7.905   3.605  -3.334
   19    HE   ARG   3           HE       ARG   3   5.972   3.929  -1.223
   20   HH11  ARG   3          HH11      ARG   3   7.742   5.499  -3.777
   21   HH12  ARG   3          HH12      ARG   3   6.593   6.782  -3.962
   22   HH21  ARG   3          HH21      ARG   3   4.452   5.613  -1.457
   23   HH22  ARG   3          HH22      ARG   3   4.722   6.846  -2.642
   24    H    TYR   4           H        TYR   4  10.975   0.796  -4.063
   25    HA   TYR   4           HA       TYR   4  12.275  -1.787  -3.797
   26    HB2  TYR   4           HB2      TYR   4  14.155  -0.393  -5.013
   27    HB3  TYR   4           HB3      TYR   4  12.739  -0.955  -5.895
   28    HD1  TYR   4           HD2      TYR   4  14.305   1.986  -4.303
   29    HD2  TYR   4           HD1      TYR   4  11.172   0.585  -6.818
   30    HE1  TYR   4           HE2      TYR   4  13.806   4.303  -4.962
   31    HE2  TYR   4           HE1      TYR   4  10.665   2.897  -7.484
   32    HH   TYR   4           HH       TYR   4  12.741   5.529  -6.718
   33    H    LEU   5           H        LEU   5  14.860  -1.344  -3.464
   34    HA   LEU   5           HA       LEU   5  15.237  -1.058  -0.745
   35    HB2  LEU   5           HB2      LEU   5  16.810  -2.043  -2.468
   36    HB3  LEU   5           HB3      LEU   5  17.334  -0.393  -2.796
   37    HG   LEU   5           HG       LEU   5  17.493  -1.548  -0.032
   38   HD11  LEU   5          HD11      LEU   5  18.678  -3.134  -1.374
   39   HD12  LEU   5          HD12      LEU   5  19.858  -2.110  -0.559
   40   HD13  LEU   5          HD13      LEU   5  19.493  -1.848  -2.264
   41   HD21  LEU   5          HD21      LEU   5  19.406   0.088   0.053
   42   HD22  LEU   5          HD22      LEU   5  17.800   0.802  -0.101
   43   HD23  LEU   5          HD23      LEU   5  18.855   0.692  -1.510
   44    H    PHE   6           H        PHE   6  15.803   1.366  -3.286
   45    HA   PHE   6           HA       PHE   6  16.466   3.414  -1.382
   46    HB2  PHE   6           HB2      PHE   6  15.895   3.557  -4.349
   47    HB3  PHE   6           HB3      PHE   6  16.468   4.907  -3.376
   48    HD1  PHE   6           HD2      PHE   6  18.611   4.159  -1.857
   49    HD2  PHE   6           HD1      PHE   6  17.487   2.542  -5.630
   50    HE1  PHE   6           HE2      PHE   6  20.935   3.450  -2.242
   51    HE2  PHE   6           HE1      PHE   6  19.809   1.828  -6.020
   52    HZ   PHE   6           HZ       PHE   6  21.537   2.283  -4.325
   53    H    GLY   7           H        GLY   7  13.605   2.011  -2.242
   54    HA2  GLY   7           HA2      GLY   7  11.819   4.118  -2.627
   55    HA3  GLY   7           HA3      GLY   7  11.409   2.576  -1.890
   56    H    GLY   8           H        GLY   8  12.147   2.371   0.463
   57    HA2  GLY   8           HA2      GLY   8  12.638   3.542   2.526
   58    HA3  GLY   8           HA3      GLY   8  11.870   4.965   1.840
   59    H    CYS   9           H        CYS   9  11.460   2.923   4.216
   60    HA   CYS   9           HA       CYS   9   8.598   3.277   4.276
   61    HB2  CYS   9           HB2      CYS   9   8.274   0.780   4.799
   62    HB3  CYS   9           HB3      CYS   9   8.487   1.239   3.112
   63    H    SER  10           H        SER  10   7.771   1.977   6.360
   64    HA   SER  10           HA       SER  10   9.664   2.669   8.509
   65    HB2  SER  10           HB2      SER  10   6.639   2.700   8.478
   66    HB3  SER  10           HB3      SER  10   7.608   2.933   9.933
   67    HG   SER  10           HG       SER  10   8.288   4.847   9.198
   68    H    SER  11           H        SER  11   7.708   0.187   7.128
   69    HA   SER  11           HA       SER  11   8.608  -1.658   9.236
   70    HB2  SER  11           HB2      SER  11   5.847  -1.301   8.120
   71    HB3  SER  11           HB3      SER  11   6.361  -2.890   8.685
   72    HG   SER  11           HG       SER  11   5.577  -1.999  10.482
   73    H    THR  12           H        THR  12   8.650  -3.932   8.538
   74    HA   THR  12           HA       THR  12   9.943  -4.187   6.014
   75    HB   THR  12           HB       THR  12  10.023  -6.612   6.528
   76    HG1  THR  12           HG1      THR  12   8.459  -7.294   7.780
   77   HG21  THR  12          HG21      THR  12  11.062  -4.472   8.219
   78   HG22  THR  12          HG22      THR  12  11.885  -5.874   7.535
   79   HG23  THR  12          HG23      THR  12  10.983  -6.029   9.042
   80    H    SER  13           H        SER  13   6.687  -4.589   7.110
   81    HA   SER  13           HA       SER  13   5.697  -6.364   5.192
   82    HB2  SER  13           HB2      SER  13   4.335  -5.788   7.087
   83    HB3  SER  13           HB3      SER  13   4.349  -4.080   6.646
   84    HG   SER  13           HG       SER  13   2.424  -4.931   5.944
   85    H    ASP  14           H        ASP  14   6.708  -3.092   4.910
   86    HA   ASP  14           HA       ASP  14   5.194  -2.411   2.592
   87    HB2  ASP  14           HB2      ASP  14   6.528  -0.911   4.326
   88    HB3  ASP  14           HB3      ASP  14   7.825  -1.116   3.152
   89    H    CYS  15           H        CYS  15   8.422  -3.732   3.143
   90    HA   CYS  15           HA       CYS  15   9.268  -3.625   0.441
   91    HB2  CYS  15           HB2      CYS  15  10.198  -5.415   2.697
   92    HB3  CYS  15           HB3      CYS  15  11.032  -5.204   1.161
   93    H    CYS  16           H        CYS  16   8.441  -4.722  -1.199
   94    HA   CYS  16           HA       CYS  16   7.405  -7.436  -0.699
   95    HB2  CYS  16           HB2      CYS  16   6.425  -5.533  -2.832
   96    HB3  CYS  16           HB3      CYS  16   5.728  -7.088  -2.390
   97    H    LYS  17           H        LYS  17   9.744  -5.621  -2.234
   98    HA   LYS  17           HA       LYS  17  10.040  -7.441  -4.500
   99    HB2  LYS  17           HB2      LYS  17  11.267  -4.808  -3.748
  100    HB3  LYS  17           HB3      LYS  17  12.047  -5.835  -4.944
  101    HG2  LYS  17           HG2      LYS  17   9.155  -5.186  -5.250
  102    HG3  LYS  17           HG3      LYS  17  10.368  -3.975  -5.673
  103    HD2  LYS  17           HD2      LYS  17  11.418  -5.551  -7.211
  104    HD3  LYS  17           HD3      LYS  17  10.237  -6.786  -6.768
  105    HE2  LYS  17           HE2      LYS  17   8.445  -5.239  -7.576
  106    HE3  LYS  17           HE3      LYS  17   9.714  -4.172  -8.175
  107    HZ1  LYS  17           HZ1      LYS  17   9.785  -6.979  -8.994
  108    HZ2  LYS  17           HZ2      LYS  17  10.253  -5.595  -9.845
  109    HZ3  LYS  17           HZ3      LYS  17   8.614  -5.984  -9.700
  110    H    HIS  18           H        HIS  18  10.433  -8.551  -1.928
  111    HA   HIS  18           HA       HIS  18  11.863  -9.940  -0.832
  112    HB2  HIS  18           HB2      HIS  18  12.401 -10.467  -3.339
  113    HB3  HIS  18           HB3      HIS  18  13.907  -9.618  -3.001
  114    HD1  HIS  18           HD1      HIS  18  15.718 -10.945  -1.915
  115    HD2  HIS  18           HD2      HIS  18  12.013 -12.804  -1.630
  116    HE1  HIS  18           HE1      HIS  18  16.178 -13.213  -0.929
  117    H    LEU  19           H        LEU  19  11.927  -7.203  -0.198
  118    HA   LEU  19           HA       LEU  19  14.762  -6.836   0.519
  119    HB2  LEU  19           HB2      LEU  19  12.664  -4.706   0.130
  120    HB3  LEU  19           HB3      LEU  19  14.348  -4.435   0.573
  121    HG   LEU  19           HG       LEU  19  13.914  -5.894  -1.952
  122   HD11  LEU  19          HD11      LEU  19  12.132  -4.015  -1.751
  123   HD12  LEU  19          HD12      LEU  19  13.097  -4.149  -3.221
  124   HD13  LEU  19          HD13      LEU  19  13.503  -2.936  -2.007
  125   HD21  LEU  19          HD21      LEU  19  16.108  -5.089  -0.937
  126   HD22  LEU  19          HD22      LEU  19  15.598  -3.467  -1.407
  127   HD23  LEU  19          HD23      LEU  19  15.822  -4.712  -2.637
  128    H    SER  20           H        SER  20  15.089  -5.587   2.554
  129    HA   SER  20           HA       SER  20  12.980  -6.205   4.519
  130    HB2  SER  20           HB2      SER  20  14.619  -6.841   6.121
  131    HB3  SER  20           HB3      SER  20  15.071  -7.657   4.625
  132    HG   SER  20           HG       SER  20  16.752  -6.318   4.378
  133    H    CYS  21           H        CYS  21  12.141  -4.438   5.382
  134    HA   CYS  21           HA       CYS  21  13.390  -1.876   5.114
  135    HB2  CYS  21           HB2      CYS  21  10.832  -2.578   5.237
  136    HB3  CYS  21           HB3      CYS  21  11.081  -2.292   6.957
  137    H    ARG  22           H        ARG  22  15.148  -1.468   6.309
  138    HA   ARG  22           HA       ARG  22  15.516  -2.534   8.943
  139    HB2  ARG  22           HB2      ARG  22  17.063  -0.684   7.165
  140    HB3  ARG  22           HB3      ARG  22  17.488  -0.813   8.867
  141    HG2  ARG  22           HG2      ARG  22  17.188  -3.334   7.340
  142    HG3  ARG  22           HG3      ARG  22  18.600  -2.331   7.002
  143    HD2  ARG  22           HD2      ARG  22  19.447  -3.588   8.701
  144    HD3  ARG  22           HD3      ARG  22  18.734  -2.282   9.646
  145    HE   ARG  22           HE       ARG  22  16.768  -4.201   9.369
  146   HH11  ARG  22          HH11      ARG  22  19.957  -3.992  10.748
  147   HH12  ARG  22          HH12      ARG  22  19.647  -5.176  11.974
  148   HH21  ARG  22          HH21      ARG  22  16.347  -5.762  10.979
  149   HH22  ARG  22          HH22      ARG  22  17.593  -6.183  12.104
  150    H    SER  23           H        SER  23  15.133  -1.610  10.873
  151    HA   SER  23           HA       SER  23  13.483   0.733  10.970
  152    HB2  SER  23           HB2      SER  23  12.991  -0.997  12.546
  153    HB3  SER  23           HB3      SER  23  14.658  -1.040  13.117
  154    HG   SER  23           HG       SER  23  13.083   1.294  13.325
  155    H    ASP  24           H        ASP  24  16.759   0.320  10.729
  156    HA   ASP  24           HA       ASP  24  17.634   2.395  12.508
  157    HB2  ASP  24           HB2      ASP  24  19.020   0.952  10.242
  158    HB3  ASP  24           HB3      ASP  24  19.808   2.144  11.271
  159    H    TRP  25           H        TRP  25  17.594   2.137   8.948
  160    HA   TRP  25           HA       TRP  25  17.616   5.067   8.802
  161    HB2  TRP  25           HB2      TRP  25  18.561   2.884   7.035
  162    HB3  TRP  25           HB3      TRP  25  17.889   4.298   6.228
  163    HD1  TRP  25           HD1      TRP  25  20.370   3.863   9.199
  164    HE1  TRP  25           HE1      TRP  25  22.367   5.433   8.785
  165    HE3  TRP  25           HE3      TRP  25  18.894   5.897   4.747
  166    HZ2  TRP  25           HZ2      TRP  25  23.205   7.289   6.831
  167    HZ3  TRP  25           HZ3      TRP  25  20.351   7.563   3.672
  168    HH2  TRP  25           HH2      TRP  25  22.461   8.244   4.694
  169    H    LYS  26           H        LYS  26  15.484   2.497   8.671
  170    HA   LYS  26           HA       LYS  26  13.286   2.313   8.116
  171    HB2  LYS  26           HB2      LYS  26  13.315   5.277   7.560
  172    HB3  LYS  26           HB3      LYS  26  11.942   4.282   8.027
  173    HG2  LYS  26           HG2      LYS  26  13.123   3.876  10.213
  174    HG3  LYS  26           HG3      LYS  26  14.273   5.124   9.727
  175    HD2  LYS  26           HD2      LYS  26  11.348   5.715   9.635
  176    HD3  LYS  26           HD3      LYS  26  12.184   5.731  11.190
  177    HE2  LYS  26           HE2      LYS  26  12.340   7.938  10.480
  178    HE3  LYS  26           HE3      LYS  26  13.893   7.253  10.004
  179    HZ1  LYS  26           HZ1      LYS  26  11.683   7.209   8.076
  180    HZ2  LYS  26           HZ2      LYS  26  13.349   7.312   7.801
  181    HZ3  LYS  26           HZ3      LYS  26  12.496   8.670   8.340
  182    H    TYR  27           H        TYR  27  14.893   1.513   6.162
  183    HA   TYR  27           HA       TYR  27  13.381   2.174   3.778
  184    HB2  TYR  27           HB2      TYR  27  15.166   2.903   2.442
  185    HB3  TYR  27           HB3      TYR  27  15.403   3.759   3.961
  186    HD1  TYR  27           HD2      TYR  27  16.801   2.079   5.707
  187    HD2  TYR  27           HD1      TYR  27  17.149   2.262   1.470
  188    HE1  TYR  27           HE2      TYR  27  19.084   1.179   5.862
  189    HE2  TYR  27           HE1      TYR  27  19.434   1.362   1.613
  190    HH   TYR  27           HH       TYR  27  21.308   1.422   3.701
  191    H    CYS  28           H        CYS  28  13.407   0.559   2.226
  192    HA   CYS  28           HA       CYS  28  13.746  -2.058   3.065
  193    HB2  CYS  28           HB2      CYS  28  13.524  -0.786   0.357
  194    HB3  CYS  28           HB3      CYS  28  13.831  -2.515   0.493
  195    H    ALA  29           H        ALA  29  15.250  -3.702   2.383
  196    HA   ALA  29           HA       ALA  29  17.880  -2.741   1.523
  197    HB1  ALA  29           HB1      ALA  29  17.884  -2.773   3.991
  198    HB2  ALA  29           HB2      ALA  29  17.497  -4.493   3.947
  199    HB3  ALA  29           HB3      ALA  29  19.029  -3.918   3.291
  200    H    TRP  30           H        TRP  30  19.068  -4.206   0.353
  201    HA   TRP  30           HA       TRP  30  17.620  -6.388  -0.804
  202    HB2  TRP  30           HB2      TRP  30  20.201  -5.028  -1.271
  203    HB3  TRP  30           HB3      TRP  30  20.152  -6.730  -1.723
  204    HD1  TRP  30           HD1      TRP  30  19.901  -3.681  -3.424
  205    HE1  TRP  30           HE1      TRP  30  18.296  -3.750  -5.434
  206    HE3  TRP  30           HE3      TRP  30  17.301  -7.920  -2.240
  207    HZ2  TRP  30           HZ2      TRP  30  16.203  -5.385  -6.391
  208    HZ3  TRP  30           HZ3      TRP  30  15.512  -8.668  -3.755
  209    HH2  TRP  30           HH2      TRP  30  14.976  -7.426  -5.787
  210    H    ASP  31           H        ASP  31  18.654  -8.580  -1.020
  211    HA   ASP  31           HA       ASP  31  19.251 -10.545  -0.040
  212    HB2  ASP  31           HB2      ASP  31  21.194  -8.980   1.647
  213    HB3  ASP  31           HB3      ASP  31  21.353 -10.623   1.033
  214    H    GLY  32           H        GLY  32  17.118  -8.973   1.173
  215    HA2  GLY  32           HA2      GLY  32  15.768  -9.032   3.028
  216    HA3  GLY  32           HA3      GLY  32  16.593 -10.531   3.430
  217    H    THR  33           H        THR  33  16.448  -9.993   5.653
  218    HA   THR  33           HA       THR  33  17.497  -7.613   6.756
  219    HB   THR  33           HB       THR  33  17.449 -10.198   8.282
  220    HG1  THR  33           HG1      THR  33  15.145  -8.590   7.859
  221   HG21  THR  33          HG21      THR  33  16.386  -8.435   9.932
  222   HG22  THR  33          HG22      THR  33  17.214  -7.287   8.881
  223   HG23  THR  33          HG23      THR  33  18.133  -8.539   9.716
  224    H    PHE  34           H        PHE  34  19.396  -7.444   8.156
  225    HA   PHE  34           HA       PHE  34  21.630  -9.086   7.159
  226    HB2  PHE  34           HB2      PHE  34  21.394  -6.157   7.689
  227    HB3  PHE  34           HB3      PHE  34  22.952  -6.932   7.957
  228    HD1  PHE  34           HD2      PHE  34  23.753  -8.478   5.971
  229    HD2  PHE  34           HD1      PHE  34  20.945  -5.300   5.610
  230    HE1  PHE  34           HE2      PHE  34  24.245  -8.320   3.565
  231    HE2  PHE  34           HE1      PHE  34  21.432  -5.138   3.204
  232    HZ   PHE  34           HZ       PHE  34  23.083  -6.650   2.178
  233    H    SER  35           H        SER  35  22.726 -10.232   8.611
  234    HA   SER  35           HA       SER  35  22.038  -9.981  11.417
  235    HB2  SER  35           HB2      SER  35  23.741 -11.985  11.508
  236    HB3  SER  35           HB3      SER  35  22.125 -12.225  10.844
  237    HG   SER  35           HG       SER  35  23.632 -13.090   9.429
  Start of MODEL    2
    1    H1   GLU   1           H        GLU   1   1.077  -1.801  -1.265
    2    HA   GLU   1           HA       GLU   1   2.243   0.810  -1.974
    3    HB2  GLU   1           HB2      GLU   1   1.453  -0.295   0.723
    4    HB3  GLU   1           HB3      GLU   1   2.389   1.178   0.510
    5    HG2  GLU   1           HG2      GLU   1  -0.262   0.856  -0.831
    6    HG3  GLU   1           HG3      GLU   1  -0.159   1.339   0.861
    7    H    CYS   2           H        CYS   2   3.631  -1.230  -2.942
    8    HA   CYS   2           HA       CYS   2   5.755  -1.824  -0.999
    9    HB2  CYS   2           HB2      CYS   2   5.373  -3.091  -3.713
   10    HB3  CYS   2           HB3      CYS   2   6.390  -3.661  -2.394
   11    H    ARG   3           H        ARG   3   7.906  -1.379  -1.455
   12    HA   ARG   3           HA       ARG   3   8.470   0.180  -3.875
   13    HB2  ARG   3           HB2      ARG   3   9.551   1.024  -1.197
   14    HB3  ARG   3           HB3      ARG   3   9.523   1.934  -2.702
   15    HG2  ARG   3           HG2      ARG   3   6.870   1.522  -2.270
   16    HG3  ARG   3           HG3      ARG   3   7.485   1.667  -0.622
   17    HD2  ARG   3           HD2      ARG   3   8.738   3.745  -1.563
   18    HD3  ARG   3           HD3      ARG   3   7.535   3.661  -2.849
   19    HE   ARG   3           HE       ARG   3   7.117   4.516  -0.143
   20   HH11  ARG   3          HH11      ARG   3   5.607   3.142  -2.963
   21   HH12  ARG   3          HH12      ARG   3   4.018   3.690  -2.539
   22   HH21  ARG   3          HH21      ARG   3   5.031   5.243   0.425
   23   HH22  ARG   3          HH22      ARG   3   3.692   4.886  -0.613
   24    H    TYR   4           H        TYR   4  10.942   0.602  -3.990
   25    HA   TYR   4           HA       TYR   4  12.226  -1.991  -3.643
   26    HB2  TYR   4           HB2      TYR   4  14.087  -0.666  -4.968
   27    HB3  TYR   4           HB3      TYR   4  12.662  -1.289  -5.792
   28    HD1  TYR   4           HD2      TYR   4  14.264   1.747  -4.449
   29    HD2  TYR   4           HD1      TYR   4  11.042   0.188  -6.749
   30    HE1  TYR   4           HE2      TYR   4  13.741   4.015  -5.242
   31    HE2  TYR   4           HE1      TYR   4  10.511   2.452  -7.550
   32    HH   TYR   4           HH       TYR   4  12.196   5.285  -6.302
   33    H    LEU   5           H        LEU   5  14.818  -1.528  -3.384
   34    HA   LEU   5           HA       LEU   5  15.254  -1.106  -0.697
   35    HB2  LEU   5           HB2      LEU   5  16.790  -2.083  -2.533
   36    HB3  LEU   5           HB3      LEU   5  17.352  -0.423  -2.723
   37    HG   LEU   5           HG       LEU   5  17.454  -1.897  -0.099
   38   HD11  LEU   5          HD11      LEU   5  18.908  -3.222  -1.244
   39   HD12  LEU   5          HD12      LEU   5  19.998  -1.902  -0.822
   40   HD13  LEU   5          HD13      LEU   5  19.286  -1.976  -2.433
   41   HD21  LEU   5          HD21      LEU   5  18.559   0.679  -1.157
   42   HD22  LEU   5          HD22      LEU   5  19.328  -0.153   0.195
   43   HD23  LEU   5          HD23      LEU   5  17.651   0.381   0.326
   44    H    PHE   6           H        PHE   6  15.721   1.215  -3.351
   45    HA   PHE   6           HA       PHE   6  16.401   3.353  -1.558
   46    HB2  PHE   6           HB2      PHE   6  15.702   3.412  -4.502
   47    HB3  PHE   6           HB3      PHE   6  16.374   4.758  -3.587
   48    HD1  PHE   6           HD2      PHE   6  18.505   3.701  -2.055
   49    HD2  PHE   6           HD1      PHE   6  17.253   2.583  -5.967
   50    HE1  PHE   6           HE2      PHE   6  20.779   2.904  -2.551
   51    HE2  PHE   6           HE1      PHE   6  19.525   1.784  -6.469
   52    HZ   PHE   6           HZ       PHE   6  21.292   1.943  -4.760
   53    H    GLY   7           H        GLY   7  13.517   1.907  -2.471
   54    HA2  GLY   7           HA2      GLY   7  11.705   3.963  -2.815
   55    HA3  GLY   7           HA3      GLY   7  11.328   2.441  -2.022
   56    H    GLY   8           H        GLY   8  12.108   2.320   0.322
   57    HA2  GLY   8           HA2      GLY   8  12.608   3.540   2.346
   58    HA3  GLY   8           HA3      GLY   8  11.850   4.952   1.624
   59    H    CYS   9           H        CYS   9  11.448   2.824   3.996
   60    HA   CYS   9           HA       CYS   9   8.582   3.260   4.088
   61    HB2  CYS   9           HB2      CYS   9   8.237   0.787   4.668
   62    HB3  CYS   9           HB3      CYS   9   8.479   1.188   2.971
   63    H    SER  10           H        SER  10   7.760   2.021   6.210
   64    HA   SER  10           HA       SER  10   9.667   2.760   8.331
   65    HB2  SER  10           HB2      SER  10   7.583   3.036   9.750
   66    HB3  SER  10           HB3      SER  10   7.771   4.208   8.446
   67    HG   SER  10           HG       SER  10   5.642   3.044   8.776
   68    H    SER  11           H        SER  11   7.697   0.254   7.022
   69    HA   SER  11           HA       SER  11   8.592  -1.539   9.173
   70    HB2  SER  11           HB2      SER  11   6.081  -0.830   9.224
   71    HB3  SER  11           HB3      SER  11   5.919  -1.942   7.864
   72    HG   SER  11           HG       SER  11   5.570  -2.853  10.021
   73    H    THR  12           H        THR  12   8.557  -3.845   8.530
   74    HA   THR  12           HA       THR  12   9.858  -4.189   6.023
   75    HB   THR  12           HB       THR  12   9.703  -6.658   6.599
   76    HG1  THR  12           HG1      THR  12   8.537  -7.228   8.274
   77   HG21  THR  12          HG21      THR  12  11.203  -6.365   8.662
   78   HG22  THR  12          HG22      THR  12  10.968  -4.634   8.423
   79   HG23  THR  12          HG23      THR  12  11.722  -5.604   7.158
   80    H    SER  13           H        SER  13   6.579  -4.436   7.081
   81    HA   SER  13           HA       SER  13   5.532  -6.225   5.214
   82    HB2  SER  13           HB2      SER  13   4.310  -5.279   7.190
   83    HB3  SER  13           HB3      SER  13   4.132  -3.770   6.296
   84    HG   SER  13           HG       SER  13   3.071  -6.315   5.649
   85    H    ASP  14           H        ASP  14   6.683  -3.003   4.829
   86    HA   ASP  14           HA       ASP  14   5.257  -2.375   2.438
   87    HB2  ASP  14           HB2      ASP  14   7.553  -1.189   3.932
   88    HB3  ASP  14           HB3      ASP  14   7.314  -0.708   2.255
   89    H    CYS  15           H        CYS  15   8.428  -3.755   3.149
   90    HA   CYS  15           HA       CYS  15   9.370  -3.780   0.479
   91    HB2  CYS  15           HB2      CYS  15  10.154  -5.486   2.852
   92    HB3  CYS  15           HB3      CYS  15  11.037  -5.421   1.330
   93    H    CYS  16           H        CYS  16   8.433  -4.847  -1.127
   94    HA   CYS  16           HA       CYS  16   7.377  -7.546  -0.589
   95    HB2  CYS  16           HB2      CYS  16   6.416  -5.630  -2.722
   96    HB3  CYS  16           HB3      CYS  16   5.714  -7.191  -2.311
   97    H    LYS  17           H        LYS  17   9.689  -5.742  -2.222
   98    HA   LYS  17           HA       LYS  17   9.972  -7.647  -4.418
   99    HB2  LYS  17           HB2      LYS  17  10.207  -5.053  -4.583
  100    HB3  LYS  17           HB3      LYS  17  11.818  -5.332  -3.935
  101    HG2  LYS  17           HG2      LYS  17  11.855  -7.123  -5.908
  102    HG3  LYS  17           HG3      LYS  17  10.701  -5.977  -6.594
  103    HD2  LYS  17           HD2      LYS  17  13.155  -4.832  -5.403
  104    HD3  LYS  17           HD3      LYS  17  13.359  -5.752  -6.896
  105    HE2  LYS  17           HE2      LYS  17  11.492  -4.344  -7.861
  106    HE3  LYS  17           HE3      LYS  17  11.641  -3.324  -6.430
  107    HZ1  LYS  17           HZ1      LYS  17  12.964  -2.323  -8.062
  108    HZ2  LYS  17           HZ2      LYS  17  13.645  -3.790  -8.556
  109    HZ3  LYS  17           HZ3      LYS  17  14.066  -3.124  -7.059
  110    H    HIS  18           H        HIS  18  10.429  -8.654  -1.817
  111    HA   HIS  18           HA       HIS  18  11.901  -9.980  -0.697
  112    HB2  HIS  18           HB2      HIS  18  13.750  -9.656  -3.063
  113    HB3  HIS  18           HB3      HIS  18  13.714 -10.979  -1.901
  114    HD1  HIS  18           HD1      HIS  18  13.094 -10.708  -5.210
  115    HD2  HIS  18           HD2      HIS  18  10.621 -11.874  -2.082
  116    HE1  HIS  18           HE1      HIS  18  11.278 -12.090  -6.268
  117    H    LEU  19           H        LEU  19  11.911  -7.443   0.147
  118    HA   LEU  19           HA       LEU  19  14.755  -6.933   0.703
  119    HB2  LEU  19           HB2      LEU  19  12.627  -4.840   0.278
  120    HB3  LEU  19           HB3      LEU  19  14.306  -4.534   0.717
  121    HG   LEU  19           HG       LEU  19  13.890  -6.049  -1.781
  122   HD11  LEU  19          HD11      LEU  19  13.311  -3.097  -1.711
  123   HD12  LEU  19          HD12      LEU  19  12.059  -4.336  -1.782
  124   HD13  LEU  19          HD13      LEU  19  13.226  -4.186  -3.095
  125   HD21  LEU  19          HD21      LEU  19  16.072  -5.182  -0.761
  126   HD22  LEU  19          HD22      LEU  19  15.546  -3.591  -1.310
  127   HD23  LEU  19          HD23      LEU  19  15.796  -4.890  -2.478
  128    H    SER  20           H        SER  20  15.068  -5.608   2.704
  129    HA   SER  20           HA       SER  20  12.993  -6.234   4.702
  130    HB2  SER  20           HB2      SER  20  15.976  -6.555   4.826
  131    HB3  SER  20           HB3      SER  20  15.053  -6.291   6.306
  132    HG   SER  20           HG       SER  20  13.816  -8.138   5.767
  133    H    CYS  21           H        CYS  21  12.115  -4.473   5.536
  134    HA   CYS  21           HA       CYS  21  13.349  -1.891   5.226
  135    HB2  CYS  21           HB2      CYS  21  10.790  -2.610   5.228
  136    HB3  CYS  21           HB3      CYS  21  10.946  -2.279   6.950
  137    H    ARG  22           H        ARG  22  14.913  -1.236   6.539
  138    HA   ARG  22           HA       ARG  22  15.133  -2.287   9.233
  139    HB2  ARG  22           HB2      ARG  22  16.873  -0.426   7.613
  140    HB3  ARG  22           HB3      ARG  22  17.223  -0.869   9.278
  141    HG2  ARG  22           HG2      ARG  22  17.138  -3.289   8.461
  142    HG3  ARG  22           HG3      ARG  22  17.234  -2.604   6.837
  143    HD2  ARG  22           HD2      ARG  22  19.452  -3.153   7.540
  144    HD3  ARG  22           HD3      ARG  22  19.297  -1.397   7.547
  145    HE   ARG  22           HE       ARG  22  19.694  -1.424   9.792
  146   HH11  ARG  22          HH11      ARG  22  18.683  -4.604   8.800
  147   HH12  ARG  22          HH12      ARG  22  18.968  -5.321  10.351
  148   HH21  ARG  22          HH21      ARG  22  20.074  -2.357  11.839
  149   HH22  ARG  22          HH22      ARG  22  19.758  -4.042  12.079
  150    H    SER  23           H        SER  23  14.726  -1.208  11.087
  151    HA   SER  23           HA       SER  23  13.128   1.168  10.942
  152    HB2  SER  23           HB2      SER  23  12.545   0.720  13.110
  153    HB3  SER  23           HB3      SER  23  13.148  -0.879  12.674
  154    HG   SER  23           HG       SER  23  14.046   0.761  14.563
  155    H    ASP  24           H        ASP  24  16.398   0.676  10.862
  156    HA   ASP  24           HA       ASP  24  17.256   2.849  12.527
  157    HB2  ASP  24           HB2      ASP  24  18.725   1.319  10.368
  158    HB3  ASP  24           HB3      ASP  24  19.468   2.463  11.482
  159    H    TRP  25           H        TRP  25  17.325   2.360   8.992
  160    HA   TRP  25           HA       TRP  25  17.406   5.274   8.659
  161    HB2  TRP  25           HB2      TRP  25  18.304   2.962   7.004
  162    HB3  TRP  25           HB3      TRP  25  17.810   4.432   6.169
  163    HD1  TRP  25           HD1      TRP  25  20.016   3.871   9.327
  164    HE1  TRP  25           HE1      TRP  25  22.190   5.212   9.011
  165    HE3  TRP  25           HE3      TRP  25  19.116   5.792   4.676
  166    HZ2  TRP  25           HZ2      TRP  25  23.367   6.866   7.049
  167    HZ3  TRP  25           HZ3      TRP  25  20.816   7.245   3.650
  168    HH2  TRP  25           HH2      TRP  25  22.897   7.770   4.814
  169    H    LYS  26           H        LYS  26  15.256   2.702   8.570
  170    HA   LYS  26           HA       LYS  26  13.080   2.507   7.937
  171    HB2  LYS  26           HB2      LYS  26  13.138   5.441   7.245
  172    HB3  LYS  26           HB3      LYS  26  11.752   4.470   7.727
  173    HG2  LYS  26           HG2      LYS  26  12.778   4.205   9.967
  174    HG3  LYS  26           HG3      LYS  26  14.067   5.302   9.464
  175    HD2  LYS  26           HD2      LYS  26  11.226   6.166   9.172
  176    HD3  LYS  26           HD3      LYS  26  11.974   6.200  10.770
  177    HE2  LYS  26           HE2      LYS  26  13.237   7.475   8.357
  178    HE3  LYS  26           HE3      LYS  26  12.105   8.334   9.400
  179    HZ1  LYS  26           HZ1      LYS  26  14.149   8.883  10.282
  180    HZ2  LYS  26           HZ2      LYS  26  14.810   7.348  10.024
  181    HZ3  LYS  26           HZ3      LYS  26  13.687   7.588  11.267
  182    H    TYR  27           H        TYR  27  14.712   1.581   6.089
  183    HA   TYR  27           HA       TYR  27  13.323   2.183   3.617
  184    HB2  TYR  27           HB2      TYR  27  15.187   2.793   2.327
  185    HB3  TYR  27           HB3      TYR  27  15.383   3.713   3.814
  186    HD1  TYR  27           HD2      TYR  27  16.651   2.079   5.697
  187    HD2  TYR  27           HD1      TYR  27  17.191   2.052   1.477
  188    HE1  TYR  27           HE2      TYR  27  18.898   1.124   5.996
  189    HE2  TYR  27           HE1      TYR  27  19.438   1.096   1.764
  190    HH   TYR  27           HH       TYR  27  20.521  -0.435   3.944
  191    H    CYS  28           H        CYS  28  13.526   0.544   2.037
  192    HA   CYS  28           HA       CYS  28  13.748  -2.067   3.060
  193    HB2  CYS  28           HB2      CYS  28  13.463  -0.897   0.320
  194    HB3  CYS  28           HB3      CYS  28  13.828  -2.611   0.487
  195    H    ALA  29           H        ALA  29  15.256  -3.725   2.572
  196    HA   ALA  29           HA       ALA  29  17.884  -2.817   1.622
  197    HB1  ALA  29           HB1      ALA  29  19.002  -4.028   3.414
  198    HB2  ALA  29           HB2      ALA  29  17.927  -2.792   4.069
  199    HB3  ALA  29           HB3      ALA  29  17.441  -4.487   4.094
  200    H    TRP  30           H        TRP  30  19.042  -4.297   0.454
  201    HA   TRP  30           HA       TRP  30  17.586  -6.485  -0.667
  202    HB2  TRP  30           HB2      TRP  30  20.189  -5.167  -1.132
  203    HB3  TRP  30           HB3      TRP  30  20.121  -6.874  -1.559
  204    HD1  TRP  30           HD1      TRP  30  19.925  -3.847  -3.306
  205    HE1  TRP  30           HE1      TRP  30  18.337  -3.925  -5.329
  206    HE3  TRP  30           HE3      TRP  30  17.260  -8.035  -2.084
  207    HZ2  TRP  30           HZ2      TRP  30  16.231  -5.547  -6.281
  208    HZ3  TRP  30           HZ3      TRP  30  15.476  -8.782  -3.604
  209    HH2  TRP  30           HH2      TRP  30  14.973  -7.562  -5.659
  210    H    ASP  31           H        ASP  31  18.592  -8.694  -0.842
  211    HA   ASP  31           HA       ASP  31  19.106 -10.655   0.197
  212    HB2  ASP  31           HB2      ASP  31  21.359  -9.308   0.100
  213    HB3  ASP  31           HB3      ASP  31  21.159  -9.228   1.848
  214    H    GLY  32           H        GLY  32  17.072  -8.981   1.427
  215    HA2  GLY  32           HA2      GLY  32  15.791  -8.924   3.330
  216    HA3  GLY  32           HA3      GLY  32  16.571 -10.441   3.750
  217    H    THR  33           H        THR  33  16.820 -10.075   5.914
  218    HA   THR  33           HA       THR  33  17.931  -7.621   6.919
  219    HB   THR  33           HB       THR  33  17.814  -8.638   9.109
  220    HG1  THR  33           HG1      THR  33  17.079 -11.066   7.813
  221   HG21  THR  33          HG21      THR  33  15.333  -9.810   8.112
  222   HG22  THR  33          HG22      THR  33  15.645  -8.195   7.476
  223   HG23  THR  33          HG23      THR  33  15.581  -8.460   9.218
  224    H    PHE  34           H        PHE  34  19.935  -7.373   7.986
  225    HA   PHE  34           HA       PHE  34  22.017  -9.157   6.949
  226    HB2  PHE  34           HB2      PHE  34  22.093  -6.330   8.002
  227    HB3  PHE  34           HB3      PHE  34  23.552  -7.262   7.681
  228    HD1  PHE  34           HD2      PHE  34  23.390  -8.487   5.242
  229    HD2  PHE  34           HD1      PHE  34  21.532  -4.830   6.377
  230    HE1  PHE  34           HE2      PHE  34  23.312  -7.798   2.881
  231    HE2  PHE  34           HE1      PHE  34  21.450  -4.135   4.018
  232    HZ   PHE  34           HZ       PHE  34  22.341  -5.620   2.266
  233    H    SER  35           H        SER  35  23.383 -10.276   8.247
  234    HA   SER  35           HA       SER  35  22.732 -10.302  11.106
  235    HB2  SER  35           HB2      SER  35  23.983 -12.487  11.093
  236    HB3  SER  35           HB3      SER  35  22.543 -12.467  10.076
  237    HG   SER  35           HG       SER  35  24.272 -13.384   8.952
  Start of MODEL    3
    1    H1   GLU   1           H        GLU   1   1.635   1.328  -0.164
    2    HA   GLU   1           HA       GLU   1   1.688  -0.362  -2.575
    3    HB2  GLU   1           HB2      GLU   1   1.281   1.943  -3.137
    4    HB3  GLU   1           HB3      GLU   1   2.627   2.475  -2.139
    5    HG2  GLU   1           HG2      GLU   1   4.212   1.496  -3.634
    6    HG3  GLU   1           HG3      GLU   1   2.929   0.730  -4.569
    7    H    CYS   2           H        CYS   2   3.581  -1.312  -3.234
    8    HA   CYS   2           HA       CYS   2   5.621  -1.594  -1.189
    9    HB2  CYS   2           HB2      CYS   2   5.490  -2.936  -3.894
   10    HB3  CYS   2           HB3      CYS   2   6.451  -3.432  -2.505
   11    H    ARG   3           H        ARG   3   7.869  -1.305  -1.584
   12    HA   ARG   3           HA       ARG   3   8.561   0.366  -3.892
   13    HB2  ARG   3           HB2      ARG   3   9.583   1.039  -1.145
   14    HB3  ARG   3           HB3      ARG   3   9.613   2.028  -2.599
   15    HG2  ARG   3           HG2      ARG   3   6.946   1.678  -2.266
   16    HG3  ARG   3           HG3      ARG   3   7.506   1.682  -0.592
   17    HD2  ARG   3           HD2      ARG   3   8.837   3.784  -1.292
   18    HD3  ARG   3           HD3      ARG   3   7.737   3.828  -2.668
   19    HE   ARG   3           HE       ARG   3   7.148   4.582   0.011
   20   HH11  ARG   3          HH11      ARG   3   5.765   3.161  -2.850
   21   HH12  ARG   3          HH12      ARG   3   4.148   3.656  -2.472
   22   HH21  ARG   3          HH21      ARG   3   5.024   5.239   0.520
   23   HH22  ARG   3          HH22      ARG   3   3.728   4.838  -0.556
   24    H    TYR   4           H        TYR   4  11.049   0.720  -3.894
   25    HA   TYR   4           HA       TYR   4  12.247  -1.927  -3.597
   26    HB2  TYR   4           HB2      TYR   4  14.160  -0.627  -4.880
   27    HB3  TYR   4           HB3      TYR   4  12.738  -1.223  -5.730
   28    HD1  TYR   4           HD2      TYR   4  14.276   1.797  -4.238
   29    HD2  TYR   4           HD1      TYR   4  11.248   0.269  -6.806
   30    HE1  TYR   4           HE2      TYR   4  13.802   4.078  -5.026
   31    HE2  TYR   4           HE1      TYR   4  10.766   2.545  -7.603
   32    HH   TYR   4           HH       TYR   4  11.206   5.060  -6.359
   33    H    LEU   5           H        LEU   5  14.854  -1.517  -3.312
   34    HA   LEU   5           HA       LEU   5  15.272  -1.155  -0.615
   35    HB2  LEU   5           HB2      LEU   5  16.812  -2.118  -2.450
   36    HB3  LEU   5           HB3      LEU   5  17.393  -0.462  -2.616
   37    HG   LEU   5           HG       LEU   5  17.470  -1.981  -0.016
   38   HD11  LEU   5          HD11      LEU   5  20.023  -1.955  -0.736
   39   HD12  LEU   5          HD12      LEU   5  19.304  -2.027  -2.344
   40   HD13  LEU   5          HD13      LEU   5  18.941  -3.282  -1.160
   41   HD21  LEU   5          HD21      LEU   5  18.596   0.612  -1.013
   42   HD22  LEU   5          HD22      LEU   5  19.334  -0.246   0.340
   43   HD23  LEU   5          HD23      LEU   5  17.658   0.294   0.447
   44    H    PHE   6           H        PHE   6  15.789   1.216  -3.214
   45    HA   PHE   6           HA       PHE   6  16.485   3.306  -1.371
   46    HB2  PHE   6           HB2      PHE   6  15.879   3.330  -4.332
   47    HB3  PHE   6           HB3      PHE   6  16.366   4.758  -3.424
   48    HD1  PHE   6           HD2      PHE   6  18.605   4.636  -2.171
   49    HD2  PHE   6           HD1      PHE   6  17.475   1.933  -5.259
   50    HE1  PHE   6           HE2      PHE   6  20.969   4.051  -2.520
   51    HE2  PHE   6           HE1      PHE   6  19.838   1.344  -5.612
   52    HZ   PHE   6           HZ       PHE   6  21.589   2.404  -4.242
   53    H    GLY   7           H        GLY   7  13.589   1.915  -2.320
   54    HA2  GLY   7           HA2      GLY   7  11.802   3.999  -2.633
   55    HA3  GLY   7           HA3      GLY   7  11.405   2.467  -1.868
   56    H    GLY   8           H        GLY   8  12.171   2.296   0.476
   57    HA2  GLY   8           HA2      GLY   8  12.673   3.466   2.525
   58    HA3  GLY   8           HA3      GLY   8  11.956   4.908   1.824
   59    H    CYS   9           H        CYS   9  11.483   2.627   4.090
   60    HA   CYS   9           HA       CYS   9   8.624   3.167   4.185
   61    HB2  CYS   9           HB2      CYS   9   8.240   0.683   4.723
   62    HB3  CYS   9           HB3      CYS   9   8.480   1.122   3.035
   63    H    SER  10           H        SER  10   7.754   1.903   6.273
   64    HA   SER  10           HA       SER  10   9.633   2.599   8.431
   65    HB2  SER  10           HB2      SER  10   6.662   2.839   8.162
   66    HB3  SER  10           HB3      SER  10   7.356   2.615   9.768
   67    HG   SER  10           HG       SER  10   7.196   4.849   8.368
   68    H    SER  11           H        SER  11   7.692   0.095   7.060
   69    HA   SER  11           HA       SER  11   8.622  -1.737   9.162
   70    HB2  SER  11           HB2      SER  11   6.281  -1.336   9.632
   71    HB3  SER  11           HB3      SER  11   5.850  -1.646   7.950
   72    HG   SER  11           HG       SER  11   6.228  -3.399   9.982
   73    H    THR  12           H        THR  12   8.557  -4.039   8.459
   74    HA   THR  12           HA       THR  12   9.856  -4.316   5.940
   75    HB   THR  12           HB       THR  12   9.892  -6.729   6.431
   76    HG1  THR  12           HG1      THR  12   8.409  -7.510   7.709
   77   HG21  THR  12          HG21      THR  12  11.665  -5.481   7.405
   78   HG22  THR  12          HG22      THR  12  11.075  -6.571   8.660
   79   HG23  THR  12          HG23      THR  12  10.621  -4.868   8.686
   80    H    SER  13           H        SER  13   6.581  -4.612   7.015
   81    HA   SER  13           HA       SER  13   5.522  -6.344   5.107
   82    HB2  SER  13           HB2      SER  13   3.390  -5.476   5.681
   83    HB3  SER  13           HB3      SER  13   4.361  -5.328   7.145
   84    HG   SER  13           HG       SER  13   3.184  -3.392   5.654
   85    H    ASP  14           H        ASP  14   6.656  -3.100   4.796
   86    HA   ASP  14           HA       ASP  14   5.236  -2.433   2.415
   87    HB2  ASP  14           HB2      ASP  14   7.746  -1.284   3.649
   88    HB3  ASP  14           HB3      ASP  14   6.951  -0.607   2.230
   89    H    CYS  15           H        CYS  15   8.387  -3.853   3.108
   90    HA   CYS  15           HA       CYS  15   9.374  -3.792   0.458
   91    HB2  CYS  15           HB2      CYS  15  10.076  -5.585   2.790
   92    HB3  CYS  15           HB3      CYS  15  10.975  -5.532   1.277
   93    H    CYS  16           H        CYS  16   8.419  -4.757  -1.204
   94    HA   CYS  16           HA       CYS  16   7.238  -7.425  -0.791
   95    HB2  CYS  16           HB2      CYS  16   6.552  -5.381  -2.913
   96    HB3  CYS  16           HB3      CYS  16   5.777  -6.947  -2.696
   97    H    LYS  17           H        LYS  17   9.736  -5.713  -2.278
   98    HA   LYS  17           HA       LYS  17  10.086  -7.645  -4.438
   99    HB2  LYS  17           HB2      LYS  17  11.366  -5.022  -3.740
  100    HB3  LYS  17           HB3      LYS  17  12.156  -6.121  -4.862
  101    HG2  LYS  17           HG2      LYS  17  10.946  -4.649  -6.211
  102    HG3  LYS  17           HG3      LYS  17   9.966  -6.116  -6.159
  103    HD2  LYS  17           HD2      LYS  17   8.440  -5.153  -4.628
  104    HD3  LYS  17           HD3      LYS  17   9.521  -3.800  -4.288
  105    HE2  LYS  17           HE2      LYS  17   7.724  -3.064  -5.724
  106    HE3  LYS  17           HE3      LYS  17   9.245  -3.034  -6.616
  107    HZ1  LYS  17           HZ1      LYS  17   8.652  -4.912  -7.832
  108    HZ2  LYS  17           HZ2      LYS  17   7.221  -4.014  -7.771
  109    HZ3  LYS  17           HZ3      LYS  17   7.421  -5.354  -6.759
  110    H    HIS  18           H        HIS  18  10.321  -8.683  -1.833
  111    HA   HIS  18           HA       HIS  18  11.664 -10.022  -0.575
  112    HB2  HIS  18           HB2      HIS  18  13.129  -9.952  -3.192
  113    HB3  HIS  18           HB3      HIS  18  13.841 -10.776  -1.807
  114    HD1  HIS  18           HD1      HIS  18  12.848 -13.020  -1.134
  115    HD2  HIS  18           HD2      HIS  18  10.769 -11.157  -4.211
  116    HE1  HIS  18           HE1      HIS  18  11.258 -14.756  -2.019
  117    H    LEU  19           H        LEU  19  11.828  -7.374   0.059
  118    HA   LEU  19           HA       LEU  19  14.689  -7.015   0.670
  119    HB2  LEU  19           HB2      LEU  19  12.586  -4.888   0.294
  120    HB3  LEU  19           HB3      LEU  19  14.264  -4.601   0.749
  121    HG   LEU  19           HG       LEU  19  13.856  -6.073  -1.775
  122   HD11  LEU  19          HD11      LEU  19  13.367  -3.112  -1.744
  123   HD12  LEU  19          HD12      LEU  19  12.046  -4.278  -1.678
  124   HD13  LEU  19          HD13      LEU  19  13.135  -4.258  -3.065
  125   HD21  LEU  19          HD21      LEU  19  15.764  -4.883  -2.450
  126   HD22  LEU  19          HD22      LEU  19  16.042  -5.264  -0.751
  127   HD23  LEU  19          HD23      LEU  19  15.531  -3.642  -1.219
  128    H    SER  20           H        SER  20  15.081  -5.737   2.683
  129    HA   SER  20           HA       SER  20  13.050  -6.374   4.723
  130    HB2  SER  20           HB2      SER  20  16.038  -6.669   4.768
  131    HB3  SER  20           HB3      SER  20  15.151  -6.430   6.273
  132    HG   SER  20           HG       SER  20  13.987  -8.298   5.849
  133    H    CYS  21           H        CYS  21  12.141  -4.588   5.473
  134    HA   CYS  21           HA       CYS  21  13.379  -2.013   5.209
  135    HB2  CYS  21           HB2      CYS  21  10.823  -2.732   5.205
  136    HB3  CYS  21           HB3      CYS  21  10.976  -2.420   6.931
  137    H    ARG  22           H        ARG  22  15.046  -1.533   6.495
  138    HA   ARG  22           HA       ARG  22  15.266  -2.558   9.172
  139    HB2  ARG  22           HB2      ARG  22  16.933  -0.672   7.519
  140    HB3  ARG  22           HB3      ARG  22  17.293  -0.989   9.211
  141    HG2  ARG  22           HG2      ARG  22  17.202  -3.494   8.428
  142    HG3  ARG  22           HG3      ARG  22  17.538  -2.778   6.850
  143    HD2  ARG  22           HD2      ARG  22  19.659  -3.213   7.683
  144    HD3  ARG  22           HD3      ARG  22  19.420  -1.512   8.083
  145    HE   ARG  22           HE       ARG  22  18.546  -2.902  10.281
  146   HH11  ARG  22          HH11      ARG  22  21.518  -2.675   8.482
  147   HH12  ARG  22          HH12      ARG  22  22.525  -3.003   9.853
  148   HH21  ARG  22          HH21      ARG  22  19.861  -3.335  12.094
  149   HH22  ARG  22          HH22      ARG  22  21.581  -3.380  11.907
  150    H    SER  23           H        SER  23  14.814  -1.560  11.055
  151    HA   SER  23           HA       SER  23  13.173   0.789  10.992
  152    HB2  SER  23           HB2      SER  23  13.416   0.480  13.582
  153    HB3  SER  23           HB3      SER  23  12.489  -0.695  12.648
  154    HG   SER  23           HG       SER  23  13.825  -1.941  13.801
  155    H    ASP  24           H        ASP  24  16.454   0.357  10.916
  156    HA   ASP  24           HA       ASP  24  17.260   2.488  12.659
  157    HB2  ASP  24           HB2      ASP  24  18.635   0.434  11.828
  158    HB3  ASP  24           HB3      ASP  24  18.960   1.439  10.418
  159    H    TRP  25           H        TRP  25  17.367   2.118   9.110
  160    HA   TRP  25           HA       TRP  25  17.407   5.041   8.873
  161    HB2  TRP  25           HB2      TRP  25  18.364   2.796   7.172
  162    HB3  TRP  25           HB3      TRP  25  17.808   4.251   6.349
  163    HD1  TRP  25           HD1      TRP  25  20.044   3.768   9.499
  164    HE1  TRP  25           HE1      TRP  25  22.163   5.194   9.181
  165    HE3  TRP  25           HE3      TRP  25  19.059   5.657   4.852
  166    HZ2  TRP  25           HZ2      TRP  25  23.270   6.894   7.219
  167    HZ3  TRP  25           HZ3      TRP  25  20.700   7.176   3.825
  168    HH2  TRP  25           HH2      TRP  25  22.761   7.782   4.985
  169    H    LYS  26           H        LYS  26  15.281   2.458   8.710
  170    HA   LYS  26           HA       LYS  26  13.108   2.259   8.067
  171    HB2  LYS  26           HB2      LYS  26  13.144   5.210   7.452
  172    HB3  LYS  26           HB3      LYS  26  11.764   4.217   7.901
  173    HG2  LYS  26           HG2      LYS  26  12.957   3.857  10.123
  174    HG3  LYS  26           HG3      LYS  26  14.009   5.188   9.636
  175    HD2  LYS  26           HD2      LYS  26  11.036   5.510   9.537
  176    HD3  LYS  26           HD3      LYS  26  11.893   5.675  11.072
  177    HE2  LYS  26           HE2      LYS  26  13.206   7.475  10.234
  178    HE3  LYS  26           HE3      LYS  26  12.647   7.197   8.585
  179    HZ1  LYS  26           HZ1      LYS  26  10.645   8.175   8.999
  180    HZ2  LYS  26           HZ2      LYS  26  11.611   9.072  10.058
  181    HZ3  LYS  26           HZ3      LYS  26  10.658   7.806  10.650
  182    H    TYR  27           H        TYR  27  14.732   1.380   6.201
  183    HA   TYR  27           HA       TYR  27  13.352   2.046   3.741
  184    HB2  TYR  27           HB2      TYR  27  15.225   2.678   2.470
  185    HB3  TYR  27           HB3      TYR  27  15.407   3.572   3.975
  186    HD1  TYR  27           HD2      TYR  27  16.675   1.931   5.839
  187    HD2  TYR  27           HD1      TYR  27  17.228   1.939   1.621
  188    HE1  TYR  27           HE2      TYR  27  18.922   0.977   6.138
  189    HE2  TYR  27           HE1      TYR  27  19.477   0.983   1.908
  190    HH   TYR  27           HH       TYR  27  20.519  -0.508   4.538
  191    H    CYS  28           H        CYS  28  13.501   0.431   2.153
  192    HA   CYS  28           HA       CYS  28  13.730  -2.197   3.099
  193    HB2  CYS  28           HB2      CYS  28  13.461  -0.954   0.392
  194    HB3  CYS  28           HB3      CYS  28  13.839  -2.670   0.506
  195    H    ALA  29           H        ALA  29  15.235  -3.850   2.590
  196    HA   ALA  29           HA       ALA  29  17.877  -2.929   1.691
  197    HB1  ALA  29           HB1      ALA  29  19.004  -4.030   3.465
  198    HB2  ALA  29           HB2      ALA  29  17.735  -3.049   4.200
  199    HB3  ALA  29           HB3      ALA  29  17.515  -4.790   4.028
  200    H    TRP  30           H        TRP  30  19.087  -4.415   0.552
  201    HA   TRP  30           HA       TRP  30  17.608  -6.575  -0.641
  202    HB2  TRP  30           HB2      TRP  30  20.166  -5.185  -1.142
  203    HB3  TRP  30           HB3      TRP  30  20.128  -6.884  -1.607
  204    HD1  TRP  30           HD1      TRP  30  19.817  -3.827  -3.280
  205    HE1  TRP  30           HE1      TRP  30  18.176  -3.897  -5.262
  206    HE3  TRP  30           HE3      TRP  30  17.277  -8.098  -2.080
  207    HZ2  TRP  30           HZ2      TRP  30  16.081  -5.545  -6.193
  208    HZ3  TRP  30           HZ3      TRP  30  15.469  -8.853  -3.568
  209    HH2  TRP  30           HH2      TRP  30  14.885  -7.601  -5.581
  210    H    ASP  31           H        ASP  31  18.658  -8.756  -0.895
  211    HA   ASP  31           HA       ASP  31  19.278 -10.725   0.062
  212    HB2  ASP  31           HB2      ASP  31  21.268  -9.158   1.693
  213    HB3  ASP  31           HB3      ASP  31  21.411 -10.802   1.077
  214    H    GLY  32           H        GLY  32  17.243  -9.019   1.396
  215    HA2  GLY  32           HA2      GLY  32  15.920  -9.158   3.268
  216    HA3  GLY  32           HA3      GLY  32  16.785 -10.636   3.661
  217    H    THR  33           H        THR  33  16.834 -10.179   5.865
  218    HA   THR  33           HA       THR  33  17.839  -7.728   6.912
  219    HB   THR  33           HB       THR  33  17.930  -8.937   9.083
  220    HG1  THR  33           HG1      THR  33  17.401 -11.090   9.166
  221   HG21  THR  33          HG21      THR  33  15.793  -7.966   7.932
  222   HG22  THR  33          HG22      THR  33  15.638  -8.946   9.390
  223   HG23  THR  33          HG23      THR  33  15.324  -9.661   7.809
  224    H    PHE  34           H        PHE  34  19.857  -7.149   7.509
  225    HA   PHE  34           HA       PHE  34  22.073  -8.553   6.433
  226    HB2  PHE  34           HB2      PHE  34  21.690  -6.092   8.064
  227    HB3  PHE  34           HB3      PHE  34  23.293  -6.819   8.054
  228    HD1  PHE  34           HD1      PHE  34  20.640  -6.145   5.512
  229    HD2  PHE  34           HD2      PHE  34  24.742  -5.819   6.598
  230    HE1  PHE  34           HE1      PHE  34  21.118  -5.045   3.363
  231    HE2  PHE  34           HE2      PHE  34  25.227  -4.718   4.452
  232    HZ   PHE  34           HZ       PHE  34  23.413  -4.329   2.831
  233    H    SER  35           H        SER  35  23.916  -9.375   7.615
  234    HA   SER  35           HA       SER  35  23.094 -11.068   9.794
  235    HB2  SER  35           HB2      SER  35  24.595 -11.950   8.083
  236    HB3  SER  35           HB3      SER  35  25.792 -10.713   8.465
  237    HG   SER  35           HG       SER  35  25.570 -13.081   9.551
  Start of MODEL    4
    1    H1   GLU   1           H        GLU   1   0.947  -0.382   0.326
    2    HA   GLU   1           HA       GLU   1   1.844  -0.403  -2.430
    3    HB2  GLU   1           HB2      GLU   1   2.382   1.464  -0.119
    4    HB3  GLU   1           HB3      GLU   1   3.104   1.663  -1.709
    5    HG2  GLU   1           HG2      GLU   1   0.136   1.541  -1.283
    6    HG3  GLU   1           HG3      GLU   1   1.052   3.046  -1.217
    7    H    CYS   2           H        CYS   2   3.953  -0.694  -3.124
    8    HA   CYS   2           HA       CYS   2   5.870  -1.698  -1.133
    9    HB2  CYS   2           HB2      CYS   2   5.521  -2.921  -3.871
   10    HB3  CYS   2           HB3      CYS   2   6.505  -3.524  -2.542
   11    H    ARG   3           H        ARG   3   8.037  -1.282  -1.547
   12    HA   ARG   3           HA       ARG   3   8.667   0.302  -3.934
   13    HB2  ARG   3           HB2      ARG   3   9.700   1.101  -1.222
   14    HB3  ARG   3           HB3      ARG   3   9.722   2.027  -2.717
   15    HG2  ARG   3           HG2      ARG   3   7.055   1.659  -2.360
   16    HG3  ARG   3           HG3      ARG   3   7.626   1.761  -0.693
   17    HD2  ARG   3           HD2      ARG   3   8.921   3.839  -1.502
   18    HD3  ARG   3           HD3      ARG   3   7.833   3.791  -2.889
   19    HE   ARG   3           HE       ARG   3   7.202   4.648  -0.237
   20   HH11  ARG   3          HH11      ARG   3   5.892   3.195  -3.117
   21   HH12  ARG   3          HH12      ARG   3   4.272   3.723  -2.803
   22   HH21  ARG   3          HH21      ARG   3   5.073   5.349   0.187
   23   HH22  ARG   3          HH22      ARG   3   3.807   4.949  -0.925
   24    H    TYR   4           H        TYR   4  11.145   0.693  -3.996
   25    HA   TYR   4           HA       TYR   4  12.388  -1.919  -3.671
   26    HB2  TYR   4           HB2      TYR   4  14.303  -0.589  -4.910
   27    HB3  TYR   4           HB3      TYR   4  12.891  -1.167  -5.788
   28    HD1  TYR   4           HD2      TYR   4  14.506   1.806  -4.326
   29    HD2  TYR   4           HD1      TYR   4  11.314   0.361  -6.739
   30    HE1  TYR   4           HE2      TYR   4  14.039   4.102  -5.072
   31    HE2  TYR   4           HE1      TYR   4  10.838   2.653  -7.493
   32    HH   TYR   4           HH       TYR   4  12.326   4.873  -7.687
   33    H    LEU   5           H        LEU   5  14.977  -1.504  -3.328
   34    HA   LEU   5           HA       LEU   5  15.342  -1.153  -0.620
   35    HB2  LEU   5           HB2      LEU   5  16.917  -2.147  -2.373
   36    HB3  LEU   5           HB3      LEU   5  17.481  -0.496  -2.622
   37    HG   LEU   5           HG       LEU   5  17.553  -1.821   0.077
   38   HD11  LEU   5          HD11      LEU   5  20.060  -2.063  -0.563
   39   HD12  LEU   5          HD12      LEU   5  19.450  -2.062  -2.217
   40   HD13  LEU   5          HD13      LEU   5  18.903  -3.291  -1.077
   41   HD21  LEU   5          HD21      LEU   5  17.835   0.482   0.314
   42   HD22  LEU   5          HD22      LEU   5  18.780   0.616  -1.170
   43   HD23  LEU   5          HD23      LEU   5  19.485  -0.139   0.260
   44    H    PHE   6           H        PHE   6  15.925   1.219  -3.205
   45    HA   PHE   6           HA       PHE   6  16.589   3.304  -1.344
   46    HB2  PHE   6           HB2      PHE   6  15.899   3.593  -4.272
   47    HB3  PHE   6           HB3      PHE   6  16.805   4.725  -3.274
   48    HD1  PHE   6           HD2      PHE   6  19.048   3.967  -2.351
   49    HD2  PHE   6           HD1      PHE   6  16.987   1.910  -5.456
   50    HE1  PHE   6           HE2      PHE   6  21.149   2.874  -3.017
   51    HE2  PHE   6           HE1      PHE   6  19.084   0.813  -6.126
   52    HZ   PHE   6           HZ       PHE   6  21.169   1.293  -4.905
   53    H    GLY   7           H        GLY   7  13.710   1.926  -2.355
   54    HA2  GLY   7           HA2      GLY   7  11.948   4.033  -2.703
   55    HA3  GLY   7           HA3      GLY   7  11.517   2.492  -1.976
   56    H    GLY   8           H        GLY   8  12.217   2.275   0.387
   57    HA2  GLY   8           HA2      GLY   8  12.680   3.425   2.463
   58    HA3  GLY   8           HA3      GLY   8  11.955   4.867   1.768
   59    H    CYS   9           H        CYS   9  11.452   2.873   4.146
   60    HA   CYS   9           HA       CYS   9   8.593   3.256   4.125
   61    HB2  CYS   9           HB2      CYS   9   8.222   0.775   4.676
   62    HB3  CYS   9           HB3      CYS   9   8.499   1.197   2.989
   63    H    SER  10           H        SER  10   7.698   2.002   6.208
   64    HA   SER  10           HA       SER  10   9.537   2.721   8.394
   65    HB2  SER  10           HB2      SER  10   7.498   4.106   8.280
   66    HB3  SER  10           HB3      SER  10   6.509   2.652   8.413
   67    HG   SER  10           HG       SER  10   6.881   3.799  10.424
   68    H    SER  11           H        SER  11   7.607   0.217   7.010
   69    HA   SER  11           HA       SER  11   8.476  -1.598   9.154
   70    HB2  SER  11           HB2      SER  11   5.736  -1.502   7.873
   71    HB3  SER  11           HB3      SER  11   6.300  -2.814   8.908
   72    HG   SER  11           HG       SER  11   5.050  -0.942   9.860
   73    H    THR  12           H        THR  12   8.431  -3.903   8.477
   74    HA   THR  12           HA       THR  12   9.781  -4.214   5.991
   75    HB   THR  12           HB       THR  12   9.791  -6.625   6.512
   76    HG1  THR  12           HG1      THR  12   7.916  -5.783   8.434
   77   HG21  THR  12          HG21      THR  12  11.259  -6.501   8.335
   78   HG22  THR  12          HG22      THR  12  10.395  -5.141   9.054
   79   HG23  THR  12          HG23      THR  12  11.360  -4.903   7.597
   80    H    SER  13           H        SER  13   6.484  -4.477   6.990
   81    HA   SER  13           HA       SER  13   5.474  -6.231   5.064
   82    HB2  SER  13           HB2      SER  13   3.311  -5.309   5.555
   83    HB3  SER  13           HB3      SER  13   4.232  -5.316   7.059
   84    HG   SER  13           HG       SER  13   4.182  -3.209   7.095
   85    H    ASP  14           H        ASP  14   6.627  -3.002   4.774
   86    HA   ASP  14           HA       ASP  14   5.227  -2.308   2.387
   87    HB2  ASP  14           HB2      ASP  14   6.597  -0.854   4.173
   88    HB3  ASP  14           HB3      ASP  14   7.864  -1.066   2.967
   89    H    CYS  15           H        CYS  15   8.387  -3.717   3.091
   90    HA   CYS  15           HA       CYS  15   9.347  -3.681   0.426
   91    HB2  CYS  15           HB2      CYS  15  10.121  -5.447   2.757
   92    HB3  CYS  15           HB3      CYS  15  11.018  -5.324   1.247
   93    H    CYS  16           H        CYS  16   8.485  -4.744  -1.221
   94    HA   CYS  16           HA       CYS  16   7.378  -7.432  -0.734
   95    HB2  CYS  16           HB2      CYS  16   6.512  -5.492  -2.885
   96    HB3  CYS  16           HB3      CYS  16   5.777  -7.047  -2.508
   97    H    LYS  17           H        LYS  17   9.788  -5.671  -2.246
   98    HA   LYS  17           HA       LYS  17  10.108  -7.540  -4.468
   99    HB2  LYS  17           HB2      LYS  17  11.373  -4.918  -3.735
  100    HB3  LYS  17           HB3      LYS  17  12.141  -5.977  -4.911
  101    HG2  LYS  17           HG2      LYS  17   9.268  -5.258  -5.249
  102    HG3  LYS  17           HG3      LYS  17  10.518  -4.092  -5.687
  103    HD2  LYS  17           HD2      LYS  17  11.558  -5.845  -7.120
  104    HD3  LYS  17           HD3      LYS  17  10.180  -6.890  -6.766
  105    HE2  LYS  17           HE2      LYS  17   8.716  -5.026  -7.658
  106    HE3  LYS  17           HE3      LYS  17  10.195  -4.269  -8.246
  107    HZ1  LYS  17           HZ1      LYS  17   9.426  -5.492 -10.045
  108    HZ2  LYS  17           HZ2      LYS  17   8.969  -6.816  -9.096
  109    HZ3  LYS  17           HZ3      LYS  17  10.607  -6.503  -9.378
  110    H    HIS  18           H        HIS  18  10.426  -8.610  -1.871
  111    HA   HIS  18           HA       HIS  18  11.811  -9.995  -0.713
  112    HB2  HIS  18           HB2      HIS  18  13.735  -9.699  -3.024
  113    HB3  HIS  18           HB3      HIS  18  13.654 -11.022  -1.864
  114    HD1  HIS  18           HD1      HIS  18  12.155 -12.948  -2.434
  115    HD2  HIS  18           HD2      HIS  18  11.504  -9.647  -4.871
  116    HE1  HIS  18           HE1      HIS  18  10.580 -13.738  -4.228
  117    H    LEU  19           H        LEU  19  11.892  -7.325  -0.021
  118    HA   LEU  19           HA       LEU  19  14.726  -6.961   0.698
  119    HB2  LEU  19           HB2      LEU  19  12.669  -4.802   0.259
  120    HB3  LEU  19           HB3      LEU  19  14.354  -4.557   0.713
  121    HG   LEU  19           HG       LEU  19  13.921  -6.038  -1.798
  122   HD11  LEU  19          HD11      LEU  19  13.161  -4.279  -3.101
  123   HD12  LEU  19          HD12      LEU  19  13.519  -3.074  -1.865
  124   HD13  LEU  19          HD13      LEU  19  12.148  -4.164  -1.661
  125   HD21  LEU  19          HD21      LEU  19  15.625  -3.622  -1.267
  126   HD22  LEU  19          HD22      LEU  19  15.846  -4.880  -2.483
  127   HD23  LEU  19          HD23      LEU  19  16.115  -5.244  -0.778
  128    H    SER  20           H        SER  20  15.031  -5.683   2.723
  129    HA   SER  20           HA       SER  20  12.891  -6.275   4.661
  130    HB2  SER  20           HB2      SER  20  15.869  -6.626   4.877
  131    HB3  SER  20           HB3      SER  20  14.883  -6.411   6.323
  132    HG   SER  20           HG       SER  20  13.583  -8.207   5.392
  133    H    CYS  21           H        CYS  21  12.028  -4.505   5.494
  134    HA   CYS  21           HA       CYS  21  13.287  -1.940   5.219
  135    HB2  CYS  21           HB2      CYS  21  10.726  -2.626   5.230
  136    HB3  CYS  21           HB3      CYS  21  10.894  -2.336   6.959
  137    H    ARG  22           H        ARG  22  14.903  -1.360   6.510
  138    HA   ARG  22           HA       ARG  22  15.236  -2.461   9.141
  139    HB2  ARG  22           HB2      ARG  22  16.741  -0.195   7.822
  140    HB3  ARG  22           HB3      ARG  22  17.246  -1.095   9.246
  141    HG2  ARG  22           HG2      ARG  22  16.759  -2.510   6.660
  142    HG3  ARG  22           HG3      ARG  22  18.281  -1.666   6.952
  143    HD2  ARG  22           HD2      ARG  22  17.099  -3.862   8.649
  144    HD3  ARG  22           HD3      ARG  22  18.470  -4.017   7.550
  145    HE   ARG  22           HE       ARG  22  18.510  -2.975  10.208
  146   HH11  ARG  22          HH11      ARG  22  20.019  -2.757   7.079
  147   HH12  ARG  22          HH12      ARG  22  21.532  -2.191   7.703
  148   HH21  ARG  22          HH21      ARG  22  20.497  -2.230  11.043
  149   HH22  ARG  22          HH22      ARG  22  21.804  -1.892   9.958
  150    H    SER  23           H        SER  23  14.705  -1.594  11.060
  151    HA   SER  23           HA       SER  23  12.944   0.670  11.110
  152    HB2  SER  23           HB2      SER  23  13.298   0.207  13.710
  153    HB3  SER  23           HB3      SER  23  12.281  -0.836  12.715
  154    HG   SER  23           HG       SER  23  14.729  -1.343  13.892
  155    H    ASP  24           H        ASP  24  16.235   0.422  11.008
  156    HA   ASP  24           HA       ASP  24  16.831   2.608  12.822
  157    HB2  ASP  24           HB2      ASP  24  18.374   0.647  12.483
  158    HB3  ASP  24           HB3      ASP  24  18.690   1.256  10.860
  159    H    TRP  25           H        TRP  25  17.346   2.022   9.339
  160    HA   TRP  25           HA       TRP  25  17.519   4.898   8.895
  161    HB2  TRP  25           HB2      TRP  25  18.236   2.462   7.332
  162    HB3  TRP  25           HB3      TRP  25  17.858   3.932   6.438
  163    HD1  TRP  25           HD1      TRP  25  20.094   3.142   9.528
  164    HE1  TRP  25           HE1      TRP  25  22.332   4.372   9.208
  165    HE3  TRP  25           HE3      TRP  25  19.149   5.387   5.034
  166    HZ2  TRP  25           HZ2      TRP  25  23.537   6.070   7.302
  167    HZ3  TRP  25           HZ3      TRP  25  20.897   6.799   4.031
  168    HH2  TRP  25           HH2      TRP  25  23.044   7.133   5.143
  169    H    LYS  26           H        LYS  26  15.200   2.439   8.790
  170    HA   LYS  26           HA       LYS  26  13.022   2.382   8.137
  171    HB2  LYS  26           HB2      LYS  26  13.256   5.319   7.496
  172    HB3  LYS  26           HB3      LYS  26  11.813   4.423   7.952
  173    HG2  LYS  26           HG2      LYS  26  13.001   4.004  10.178
  174    HG3  LYS  26           HG3      LYS  26  14.105   5.286   9.677
  175    HD2  LYS  26           HD2      LYS  26  12.405   6.900   9.666
  176    HD3  LYS  26           HD3      LYS  26  11.129   5.682   9.658
  177    HE2  LYS  26           HE2      LYS  26  11.074   6.372  11.851
  178    HE3  LYS  26           HE3      LYS  26  12.173   4.997  11.953
  179    HZ1  LYS  26           HZ1      LYS  26  12.975   7.851  11.773
  180    HZ2  LYS  26           HZ2      LYS  26  14.039   6.538  11.844
  181    HZ3  LYS  26           HZ3      LYS  26  13.039   6.889  13.163
  182    H    TYR  27           H        TYR  27  14.683   1.439   6.282
  183    HA   TYR  27           HA       TYR  27  13.317   2.107   3.815
  184    HB2  TYR  27           HB2      TYR  27  15.186   2.727   2.547
  185    HB3  TYR  27           HB3      TYR  27  15.409   3.597   4.060
  186    HD1  TYR  27           HD2      TYR  27  16.616   1.804   5.879
  187    HD2  TYR  27           HD1      TYR  27  17.202   2.044   1.672
  188    HE1  TYR  27           HE2      TYR  27  18.842   0.791   6.137
  189    HE2  TYR  27           HE1      TYR  27  19.430   1.031   1.918
  190    HH   TYR  27           HH       TYR  27  21.067   0.529   3.438
  191    H    CYS  28           H        CYS  28  13.634   0.524   2.145
  192    HA   CYS  28           HA       CYS  28  13.751  -2.122   3.130
  193    HB2  CYS  28           HB2      CYS  28  13.578  -0.894   0.401
  194    HB3  CYS  28           HB3      CYS  28  13.879  -2.622   0.559
  195    H    ALA  29           H        ALA  29  15.236  -3.805   2.560
  196    HA   ALA  29           HA       ALA  29  17.900  -2.918   1.712
  197    HB1  ALA  29           HB1      ALA  29  17.353  -4.546   4.191
  198    HB2  ALA  29           HB2      ALA  29  18.950  -4.216   3.518
  199    HB3  ALA  29           HB3      ALA  29  17.961  -2.892   4.135
  200    H    TRP  30           H        TRP  30  19.058  -4.408   0.556
  201    HA   TRP  30           HA       TRP  30  17.588  -6.580  -0.588
  202    HB2  TRP  30           HB2      TRP  30  20.198  -5.273  -1.039
  203    HB3  TRP  30           HB3      TRP  30  20.124  -6.978  -1.472
  204    HD1  TRP  30           HD1      TRP  30  19.947  -3.943  -3.209
  205    HE1  TRP  30           HE1      TRP  30  18.365  -4.007  -5.238
  206    HE3  TRP  30           HE3      TRP  30  17.260  -8.125  -2.012
  207    HZ2  TRP  30           HZ2      TRP  30  16.257  -5.617  -6.203
  208    HZ3  TRP  30           HZ3      TRP  30  15.478  -8.859  -3.541
  209    HH2  TRP  30           HH2      TRP  30  14.988  -7.629  -5.592
  210    H    ASP  31           H        ASP  31  18.586  -8.793  -0.766
  211    HA   ASP  31           HA       ASP  31  19.059 -10.760   0.283
  212    HB2  ASP  31           HB2      ASP  31  21.187  -9.229   1.774
  213    HB3  ASP  31           HB3      ASP  31  21.209 -10.918   1.273
  214    H    GLY  32           H        GLY  32  16.998  -9.265   1.495
  215    HA2  GLY  32           HA2      GLY  32  15.730  -9.244   3.407
  216    HA3  GLY  32           HA3      GLY  32  16.694 -10.618   3.927
  217    H    THR  33           H        THR  33  16.931 -10.062   6.048
  218    HA   THR  33           HA       THR  33  17.834  -7.410   6.784
  219    HB   THR  33           HB       THR  33  17.445  -9.844   8.536
  220    HG1  THR  33           HG1      THR  33  15.685  -7.634   8.340
  221   HG21  THR  33          HG21      THR  33  18.764  -8.415   9.801
  222   HG22  THR  33          HG22      THR  33  17.136  -7.908  10.252
  223   HG23  THR  33          HG23      THR  33  18.061  -6.967   9.083
  224    H    PHE  34           H        PHE  34  19.834  -6.856   7.550
  225    HA   PHE  34           HA       PHE  34  22.029  -8.514   6.746
  226    HB2  PHE  34           HB2      PHE  34  21.748  -5.791   7.956
  227    HB3  PHE  34           HB3      PHE  34  23.319  -6.586   7.989
  228    HD1  PHE  34           HD1      PHE  34  20.646  -5.348   5.762
  229    HD2  PHE  34           HD2      PHE  34  24.672  -6.699   6.066
  230    HE1  PHE  34           HE1      PHE  34  21.068  -4.598   3.457
  231    HE2  PHE  34           HE2      PHE  34  25.100  -5.949   3.762
  232    HZ   PHE  34           HZ       PHE  34  23.298  -4.897   2.455
  233    H    SER  35           H        SER  35  23.635  -9.424   8.056
  234    HA   SER  35           HA       SER  35  22.670 -10.309  10.645
  235    HB2  SER  35           HB2      SER  35  24.866 -11.670  10.546
  236    HB3  SER  35           HB3      SER  35  23.588 -12.078   9.401
  237    HG   SER  35           HG       SER  35  25.688 -11.886   8.435
  Start of MODEL    5
    1    H1   GLU   1           H        GLU   1   2.393   1.614   0.290
    2    HA   GLU   1           HA       GLU   1   1.846  -0.551  -1.623
    3    HB2  GLU   1           HB2      GLU   1   1.421   1.774  -2.390
    4    HB3  GLU   1           HB3      GLU   1   3.121   2.142  -2.132
    5    HG2  GLU   1           HG2      GLU   1   3.810   0.859  -3.921
    6    HG3  GLU   1           HG3      GLU   1   2.341  -0.115  -3.921
    7    H    CYS   2           H        CYS   2   3.521  -1.689  -2.587
    8    HA   CYS   2           HA       CYS   2   5.874  -1.999  -0.987
    9    HB2  CYS   2           HB2      CYS   2   5.367  -3.214  -3.704
   10    HB3  CYS   2           HB3      CYS   2   6.424  -3.821  -2.434
   11    H    ARG   3           H        ARG   3   7.947  -1.388  -1.401
   12    HA   ARG   3           HA       ARG   3   8.471   0.101  -3.879
   13    HB2  ARG   3           HB2      ARG   3   9.488   1.002  -1.187
   14    HB3  ARG   3           HB3      ARG   3   9.563   1.870  -2.715
   15    HG2  ARG   3           HG2      ARG   3   6.851   1.386  -2.281
   16    HG3  ARG   3           HG3      ARG   3   7.503   1.862  -0.712
   17    HD2  ARG   3           HD2      ARG   3   8.511   3.849  -1.768
   18    HD3  ARG   3           HD3      ARG   3   7.781   3.381  -3.303
   19    HE   ARG   3           HE       ARG   3   5.851   3.614  -1.212
   20   HH11  ARG   3          HH11      ARG   3   7.734   5.423  -3.514
   21   HH12  ARG   3          HH12      ARG   3   6.616   6.744  -3.587
   22   HH21  ARG   3          HH21      ARG   3   4.371   5.348  -1.299
   23   HH22  ARG   3          HH22      ARG   3   4.704   6.701  -2.325
   24    H    TYR   4           H        TYR   4  10.929   0.569  -4.033
   25    HA   TYR   4           HA       TYR   4  12.266  -1.989  -3.708
   26    HB2  TYR   4           HB2      TYR   4  14.124  -0.597  -4.960
   27    HB3  TYR   4           HB3      TYR   4  12.718  -1.204  -5.826
   28    HD1  TYR   4           HD2      TYR   4  14.240   1.801  -4.316
   29    HD2  TYR   4           HD1      TYR   4  11.123   0.287  -6.785
   30    HE1  TYR   4           HE2      TYR   4  13.703   4.091  -5.033
   31    HE2  TYR   4           HE1      TYR   4  10.579   2.573  -7.509
   32    HH   TYR   4           HH       TYR   4  12.154   4.898  -7.601
   33    H    LEU   5           H        LEU   5  14.843  -1.501  -3.389
   34    HA   LEU   5           HA       LEU   5  15.218  -1.144  -0.678
   35    HB2  LEU   5           HB2      LEU   5  16.806  -2.144  -2.377
   36    HB3  LEU   5           HB3      LEU   5  17.302  -0.494  -2.748
   37    HG   LEU   5           HG       LEU   5  17.479  -1.559   0.049
   38   HD11  LEU   5          HD11      LEU   5  19.493  -1.922  -2.163
   39   HD12  LEU   5          HD12      LEU   5  18.660  -3.188  -1.262
   40   HD13  LEU   5          HD13      LEU   5  19.832  -2.153  -0.447
   41   HD21  LEU   5          HD21      LEU   5  17.787   0.780  -0.089
   42   HD22  LEU   5          HD22      LEU   5  18.809   0.637  -1.519
   43   HD23  LEU   5          HD23      LEU   5  19.401   0.083   0.048
   44    H    PHE   6           H        PHE   6  15.739   1.229  -3.275
   45    HA   PHE   6           HA       PHE   6  16.376   3.332  -1.424
   46    HB2  PHE   6           HB2      PHE   6  15.785   3.396  -4.390
   47    HB3  PHE   6           HB3      PHE   6  16.340   4.778  -3.452
   48    HD1  PHE   6           HD2      PHE   6  18.517   4.167  -1.963
   49    HD2  PHE   6           HD1      PHE   6  17.377   2.316  -5.622
   50    HE1  PHE   6           HE2      PHE   6  20.851   3.489  -2.344
   51    HE2  PHE   6           HE1      PHE   6  19.709   1.634  -6.008
   52    HZ   PHE   6           HZ       PHE   6  21.450   2.220  -4.367
   53    H    GLY   7           H        GLY   7  13.530   1.868  -2.272
   54    HA2  GLY   7           HA2      GLY   7  11.717   3.949  -2.669
   55    HA3  GLY   7           HA3      GLY   7  11.325   2.405  -1.928
   56    H    GLY   8           H        GLY   8  12.059   2.218   0.427
   57    HA2  GLY   8           HA2      GLY   8  12.529   3.399   2.488
   58    HA3  GLY   8           HA3      GLY   8  11.750   4.813   1.794
   59    H    CYS   9           H        CYS   9  11.343   2.832   4.198
   60    HA   CYS   9           HA       CYS   9   8.474   3.124   4.215
   61    HB2  CYS   9           HB2      CYS   9   8.195   0.637   4.803
   62    HB3  CYS   9           HB3      CYS   9   8.421   1.052   3.107
   63    H    SER  10           H        SER  10   7.651   1.862   6.325
   64    HA   SER  10           HA       SER  10   9.495   2.670   8.475
   65    HB2  SER  10           HB2      SER  10   7.395   3.971   8.367
   66    HB3  SER  10           HB3      SER  10   6.473   2.479   8.554
   67    HG   SER  10           HG       SER  10   6.715   3.484  10.557
   68    H    SER  11           H        SER  11   7.649   0.079   7.142
   69    HA   SER  11           HA       SER  11   8.614  -1.679   9.292
   70    HB2  SER  11           HB2      SER  11   6.232  -1.295   9.687
   71    HB3  SER  11           HB3      SER  11   5.863  -1.766   8.028
   72    HG   SER  11           HG       SER  11   5.573  -3.452   9.625
   73    H    THR  12           H        THR  12   8.685  -3.979   8.645
   74    HA   THR  12           HA       THR  12   9.980  -4.260   6.125
   75    HB   THR  12           HB       THR  12  10.000  -6.717   6.700
   76    HG1  THR  12           HG1      THR  12   9.089  -5.989   9.264
   77   HG21  THR  12          HG21      THR  12  11.159  -4.544   8.356
   78   HG22  THR  12          HG22      THR  12  11.962  -5.778   7.385
   79   HG23  THR  12          HG23      THR  12  11.303  -6.191   8.968
   80    H    SER  13           H        SER  13   6.734  -4.719   7.241
   81    HA   SER  13           HA       SER  13   5.781  -6.539   5.345
   82    HB2  SER  13           HB2      SER  13   4.541  -5.748   7.379
   83    HB3  SER  13           HB3      SER  13   4.226  -4.232   6.535
   84    HG   SER  13           HG       SER  13   2.479  -5.495   6.137
   85    H    ASP  14           H        ASP  14   6.721  -3.253   5.021
   86    HA   ASP  14           HA       ASP  14   5.175  -2.626   2.708
   87    HB2  ASP  14           HB2      ASP  14   7.554  -1.385   4.054
   88    HB3  ASP  14           HB3      ASP  14   7.031  -0.812   2.473
   89    H    CYS  15           H        CYS  15   8.433  -3.874   3.249
   90    HA   CYS  15           HA       CYS  15   9.256  -3.779   0.539
   91    HB2  CYS  15           HB2      CYS  15  10.243  -5.529   2.803
   92    HB3  CYS  15           HB3      CYS  15  11.063  -5.303   1.261
   93    H    CYS  16           H        CYS  16   8.434  -4.910  -1.080
   94    HA   CYS  16           HA       CYS  16   7.465  -7.642  -0.541
   95    HB2  CYS  16           HB2      CYS  16   6.426  -5.802  -2.701
   96    HB3  CYS  16           HB3      CYS  16   5.756  -7.352  -2.202
   97    H    LYS  17           H        LYS  17   9.751  -5.794  -2.115
   98    HA   LYS  17           HA       LYS  17  10.067  -7.629  -4.366
   99    HB2  LYS  17           HB2      LYS  17  11.262  -4.971  -3.645
  100    HB3  LYS  17           HB3      LYS  17  12.030  -5.993  -4.854
  101    HG2  LYS  17           HG2      LYS  17  10.714  -4.731  -6.206
  102    HG3  LYS  17           HG3      LYS  17   9.588  -6.043  -5.854
  103    HD2  LYS  17           HD2      LYS  17   8.557  -4.710  -4.097
  104    HD3  LYS  17           HD3      LYS  17   9.715  -3.409  -4.384
  105    HE2  LYS  17           HE2      LYS  17   7.656  -4.442  -6.333
  106    HE3  LYS  17           HE3      LYS  17   7.588  -2.916  -5.453
  107    HZ1  LYS  17           HZ1      LYS  17   9.759  -2.378  -6.599
  108    HZ2  LYS  17           HZ2      LYS  17   8.378  -2.383  -7.575
  109    HZ3  LYS  17           HZ3      LYS  17   9.449  -3.692  -7.618
  110    H    HIS  18           H        HIS  18  10.500  -8.710  -1.789
  111    HA   HIS  18           HA       HIS  18  11.967 -10.056  -0.688
  112    HB2  HIS  18           HB2      HIS  18  13.818  -9.675  -3.043
  113    HB3  HIS  18           HB3      HIS  18  13.799 -11.017  -1.903
  114    HD1  HIS  18           HD1      HIS  18  13.018 -10.497  -5.223
  115    HD2  HIS  18           HD2      HIS  18  10.864 -12.142  -2.074
  116    HE1  HIS  18           HE1      HIS  18  11.252 -11.931  -6.294
  117    H    LEU  19           H        LEU  19  11.978  -7.374   0.003
  118    HA   LEU  19           HA       LEU  19  14.814  -6.940   0.674
  119    HB2  LEU  19           HB2      LEU  19  12.710  -4.826   0.241
  120    HB3  LEU  19           HB3      LEU  19  14.396  -4.544   0.671
  121    HG   LEU  19           HG       LEU  19  13.967  -6.059  -1.819
  122   HD11  LEU  19          HD11      LEU  19  13.107  -4.368  -3.124
  123   HD12  LEU  19          HD12      LEU  19  13.515  -3.111  -1.956
  124   HD13  LEU  19          HD13      LEU  19  12.158  -4.195  -1.647
  125   HD21  LEU  19          HD21      LEU  19  15.615  -3.594  -1.329
  126   HD22  LEU  19          HD22      LEU  19  15.851  -4.853  -2.542
  127   HD23  LEU  19          HD23      LEU  19  16.153  -5.201  -0.839
  128    H    SER  20           H        SER  20  15.122  -5.648   2.685
  129    HA   SER  20           HA       SER  20  13.009  -6.245   4.652
  130    HB2  SER  20           HB2      SER  20  15.971  -6.659   4.780
  131    HB3  SER  20           HB3      SER  20  15.092  -6.298   6.266
  132    HG   SER  20           HG       SER  20  13.701  -8.093   5.694
  133    H    CYS  21           H        CYS  21  12.151  -4.478   5.496
  134    HA   CYS  21           HA       CYS  21  13.353  -1.901   5.164
  135    HB2  CYS  21           HB2      CYS  21  10.811  -2.633   5.315
  136    HB3  CYS  21           HB3      CYS  21  11.063  -2.333   7.032
  137    H    ARG  22           H        ARG  22  15.124  -1.459   6.331
  138    HA   ARG  22           HA       ARG  22  15.557  -2.466   8.968
  139    HB2  ARG  22           HB2      ARG  22  16.996  -0.466   7.239
  140    HB3  ARG  22           HB3      ARG  22  17.489  -0.769   8.899
  141    HG2  ARG  22           HG2      ARG  22  17.153  -3.173   7.250
  142    HG3  ARG  22           HG3      ARG  22  18.450  -2.088   6.746
  143    HD2  ARG  22           HD2      ARG  22  19.279  -3.760   8.309
  144    HD3  ARG  22           HD3      ARG  22  19.375  -2.145   9.009
  145    HE   ARG  22           HE       ARG  22  17.836  -2.769  10.597
  146   HH11  ARG  22          HH11      ARG  22  17.943  -5.160   8.068
  147   HH12  ARG  22          HH12      ARG  22  16.967  -6.303   8.930
  148   HH21  ARG  22          HH21      ARG  22  16.551  -4.266  11.741
  149   HH22  ARG  22          HH22      ARG  22  16.175  -5.794  11.018
  150    H    SER  23           H        SER  23  15.139  -1.561  10.897
  151    HA   SER  23           HA       SER  23  13.409   0.724  11.003
  152    HB2  SER  23           HB2      SER  23  13.326  -1.322  12.535
  153    HB3  SER  23           HB3      SER  23  14.710  -0.620  13.372
  154    HG   SER  23           HG       SER  23  13.278   0.488  14.425
  155    H    ASP  24           H        ASP  24  16.695   0.424  10.749
  156    HA   ASP  24           HA       ASP  24  17.479   2.552  12.521
  157    HB2  ASP  24           HB2      ASP  24  18.947   1.062  10.341
  158    HB3  ASP  24           HB3      ASP  24  19.685   2.335  11.309
  159    H    TRP  25           H        TRP  25  17.533   2.200   8.970
  160    HA   TRP  25           HA       TRP  25  17.520   5.120   8.734
  161    HB2  TRP  25           HB2      TRP  25  18.474   2.887   7.049
  162    HB3  TRP  25           HB3      TRP  25  17.757   4.239   6.178
  163    HD1  TRP  25           HD1      TRP  25  20.341   3.937   9.077
  164    HE1  TRP  25           HE1      TRP  25  22.271   5.564   8.576
  165    HE3  TRP  25           HE3      TRP  25  18.626   5.900   4.679
  166    HZ2  TRP  25           HZ2      TRP  25  22.973   7.433   6.580
  167    HZ3  TRP  25           HZ3      TRP  25  19.986   7.603   3.538
  168    HH2  TRP  25           HH2      TRP  25  22.114   8.353   4.470
  169    H    LYS  26           H        LYS  26  15.388   2.542   8.686
  170    HA   LYS  26           HA       LYS  26  13.185   2.343   8.154
  171    HB2  LYS  26           HB2      LYS  26  13.197   5.291   7.519
  172    HB3  LYS  26           HB3      LYS  26  11.838   4.303   8.041
  173    HG2  LYS  26           HG2      LYS  26  12.958   3.998  10.227
  174    HG3  LYS  26           HG3      LYS  26  14.224   5.106   9.692
  175    HD2  LYS  26           HD2      LYS  26  11.375   5.977   9.533
  176    HD3  LYS  26           HD3      LYS  26  12.182   5.970  11.104
  177    HE2  LYS  26           HE2      LYS  26  13.548   7.233   8.774
  178    HE3  LYS  26           HE3      LYS  26  12.232   8.099   9.565
  179    HZ1  LYS  26           HZ1      LYS  26  13.894   8.823  10.871
  180    HZ2  LYS  26           HZ2      LYS  26  14.906   7.512  10.528
  181    HZ3  LYS  26           HZ3      LYS  26  13.671   7.350  11.672
  182    H    TYR  27           H        TYR  27  14.795   1.511   6.205
  183    HA   TYR  27           HA       TYR  27  13.254   2.099   3.820
  184    HB2  TYR  27           HB2      TYR  27  15.019   2.817   2.451
  185    HB3  TYR  27           HB3      TYR  27  15.258   3.711   3.948
  186    HD1  TYR  27           HD2      TYR  27  16.689   2.084   5.719
  187    HD2  TYR  27           HD1      TYR  27  17.003   2.183   1.477
  188    HE1  TYR  27           HE2      TYR  27  18.985   1.216   5.875
  189    HE2  TYR  27           HE1      TYR  27  19.299   1.314   1.621
  190    HH   TYR  27           HH       TYR  27  21.176   1.372   3.478
  191    H    CYS  28           H        CYS  28  13.401   0.487   2.224
  192    HA   CYS  28           HA       CYS  28  13.733  -2.124   3.140
  193    HB2  CYS  28           HB2      CYS  28  13.513  -0.909   0.404
  194    HB3  CYS  28           HB3      CYS  28  13.825  -2.633   0.583
  195    H    ALA  29           H        ALA  29  15.256  -3.764   2.439
  196    HA   ALA  29           HA       ALA  29  17.874  -2.782   1.579
  197    HB1  ALA  29           HB1      ALA  29  18.966  -4.137   3.387
  198    HB2  ALA  29           HB2      ALA  29  18.109  -2.699   3.944
  199    HB3  ALA  29           HB3      ALA  29  17.376  -4.292   4.136
  200    H    TRP  30           H        TRP  30  19.086  -4.261   0.449
  201    HA   TRP  30           HA       TRP  30  17.666  -6.494  -0.649
  202    HB2  TRP  30           HB2      TRP  30  20.223  -5.104  -1.162
  203    HB3  TRP  30           HB3      TRP  30  20.199  -6.817  -1.571
  204    HD1  TRP  30           HD1      TRP  30  19.890  -3.815  -3.345
  205    HE1  TRP  30           HE1      TRP  30  18.278  -3.961  -5.346
  206    HE3  TRP  30           HE3      TRP  30  17.369  -8.068  -2.046
  207    HZ2  TRP  30           HZ2      TRP  30  16.210  -5.655  -6.253
  208    HZ3  TRP  30           HZ3      TRP  30  15.588  -8.884  -3.535
  209    HH2  TRP  30           HH2      TRP  30  15.022  -7.701  -5.594
  210    H    ASP  31           H        ASP  31  18.737  -8.673  -0.813
  211    HA   ASP  31           HA       ASP  31  19.338 -10.605   0.232
  212    HB2  ASP  31           HB2      ASP  31  21.558  -9.402   0.041
  213    HB3  ASP  31           HB3      ASP  31  21.344  -8.904   1.717
  214    H    GLY  32           H        GLY  32  17.281  -8.907   1.480
  215    HA2  GLY  32           HA2      GLY  32  15.999  -8.888   3.383
  216    HA3  GLY  32           HA3      GLY  32  16.791 -10.404   3.788
  217    H    THR  33           H        THR  33  17.246 -10.180   5.899
  218    HA   THR  33           HA       THR  33  18.217  -7.691   6.985
  219    HB   THR  33           HB       THR  33  18.312  -8.868   9.127
  220    HG1  THR  33           HG1      THR  33  17.339 -11.195   7.837
  221   HG21  THR  33          HG21      THR  33  16.094  -8.106   7.910
  222   HG22  THR  33          HG22      THR  33  16.041  -8.965   9.450
  223   HG23  THR  33          HG23      THR  33  15.755  -9.836   7.943
  224    H    PHE  34           H        PHE  34  20.199  -7.687   8.381
  225    HA   PHE  34           HA       PHE  34  22.343  -9.286   7.144
  226    HB2  PHE  34           HB2      PHE  34  22.445  -6.403   8.054
  227    HB3  PHE  34           HB3      PHE  34  23.844  -7.333   7.526
  228    HD1  PHE  34           HD2      PHE  34  23.681  -8.379   5.152
  229    HD2  PHE  34           HD1      PHE  34  21.262  -5.156   6.520
  230    HE1  PHE  34           HE2      PHE  34  23.232  -7.732   2.821
  231    HE2  PHE  34           HE1      PHE  34  20.808  -4.503   4.191
  232    HZ   PHE  34           HZ       PHE  34  21.795  -5.791   2.338
  233    H    SER  35           H        SER  35  24.219  -9.672   8.503
  234    HA   SER  35           HA       SER  35  23.495 -10.558  11.089
  235    HB2  SER  35           HB2      SER  35  25.328 -11.496   9.576
  236    HB3  SER  35           HB3      SER  35  26.329 -10.153  10.130
  237    HG   SER  35           HG       SER  35  26.582 -12.104  11.369
  Start of MODEL    6
    1    H1   GLU   1           H        GLU   1   1.710   1.447  -0.422
    2    HA   GLU   1           HA       GLU   1   1.727  -0.689  -2.429
    3    HB2  GLU   1           HB2      GLU   1   2.529   2.213  -2.516
    4    HB3  GLU   1           HB3      GLU   1   2.960   1.089  -3.797
    5    HG2  GLU   1           HG2      GLU   1   1.023   2.121  -4.561
    6    HG3  GLU   1           HG3      GLU   1   0.471   0.565  -3.945
    7    H    CYS   2           H        CYS   2   3.550  -1.777  -3.010
    8    HA   CYS   2           HA       CYS   2   5.698  -1.845  -1.125
    9    HB2  CYS   2           HB2      CYS   2   5.589  -3.198  -3.824
   10    HB3  CYS   2           HB3      CYS   2   6.570  -3.659  -2.437
   11    H    ARG   3           H        ARG   3   7.877  -1.342  -1.457
   12    HA   ARG   3           HA       ARG   3   8.479   0.315  -3.810
   13    HB2  ARG   3           HB2      ARG   3   9.489   0.994  -1.055
   14    HB3  ARG   3           HB3      ARG   3   9.529   1.989  -2.504
   15    HG2  ARG   3           HG2      ARG   3   6.829   1.436  -2.067
   16    HG3  ARG   3           HG3      ARG   3   7.505   1.790  -0.475
   17    HD2  ARG   3           HD2      ARG   3   8.454   3.875  -1.357
   18    HD3  ARG   3           HD3      ARG   3   7.748   3.520  -2.934
   19    HE   ARG   3           HE       ARG   3   5.806   3.554  -0.832
   20   HH11  ARG   3          HH11      ARG   3   7.626   5.540  -3.037
   21   HH12  ARG   3          HH12      ARG   3   6.471   6.831  -3.034
   22   HH21  ARG   3          HH21      ARG   3   4.277   5.247  -0.819
   23   HH22  ARG   3          HH22      ARG   3   4.567   6.664  -1.771
   24    H    TYR   4           H        TYR   4  10.950   0.767  -3.861
   25    HA   TYR   4           HA       TYR   4  12.257  -1.832  -3.626
   26    HB2  TYR   4           HB2      TYR   4  14.101  -0.436  -4.906
   27    HB3  TYR   4           HB3      TYR   4  12.688  -1.060  -5.750
   28    HD1  TYR   4           HD2      TYR   4  14.149   1.974  -4.214
   29    HD2  TYR   4           HD1      TYR   4  11.124   0.405  -6.761
   30    HE1  TYR   4           HE2      TYR   4  13.585   4.256  -4.940
   31    HE2  TYR   4           HE1      TYR   4  10.552   2.681  -7.494
   32    HH   TYR   4           HH       TYR   4  11.492   4.872  -7.603
   33    H    LEU   5           H        LEU   5  14.847  -1.335  -3.361
   34    HA   LEU   5           HA       LEU   5  15.282  -1.004  -0.660
   35    HB2  LEU   5           HB2      LEU   5  16.829  -1.897  -2.524
   36    HB3  LEU   5           HB3      LEU   5  17.360  -0.223  -2.673
   37    HG   LEU   5           HG       LEU   5  17.508  -1.775  -0.096
   38   HD11  LEU   5          HD11      LEU   5  20.047  -1.686  -0.820
   39   HD12  LEU   5          HD12      LEU   5  19.338  -1.709  -2.434
   40   HD13  LEU   5          HD13      LEU   5  18.992  -3.015  -1.301
   41   HD21  LEU   5          HD21      LEU   5  17.611   0.523   0.359
   42   HD22  LEU   5          HD22      LEU   5  18.596   0.850  -1.067
   43   HD23  LEU   5          HD23      LEU   5  19.295  -0.001   0.311
   44    H    PHE   6           H        PHE   6  15.701   1.416  -3.232
   45    HA   PHE   6           HA       PHE   6  16.355   3.501  -1.367
   46    HB2  PHE   6           HB2      PHE   6  15.763   3.500  -4.327
   47    HB3  PHE   6           HB3      PHE   6  16.121   4.970  -3.426
   48    HD1  PHE   6           HD1      PHE   6  17.508   1.605  -4.188
   49    HD2  PHE   6           HD2      PHE   6  18.313   5.658  -3.166
   50    HE1  PHE   6           HE1      PHE   6  19.916   1.202  -4.496
   51    HE2  PHE   6           HE2      PHE   6  20.722   5.261  -3.473
   52    HZ   PHE   6           HZ       PHE   6  21.526   3.030  -4.138
   53    H    GLY   7           H        GLY   7  13.499   2.024  -2.246
   54    HA2  GLY   7           HA2      GLY   7  11.631   4.030  -2.560
   55    HA3  GLY   7           HA3      GLY   7  11.308   2.506  -1.747
   56    H    GLY   8           H        GLY   8  12.144   2.426   0.581
   57    HA2  GLY   8           HA2      GLY   8  12.632   3.641   2.597
   58    HA3  GLY   8           HA3      GLY   8  11.894   5.061   1.871
   59    H    CYS   9           H        CYS   9  11.443   2.491   3.978
   60    HA   CYS   9           HA       CYS   9   8.588   3.129   4.184
   61    HB2  CYS   9           HB2      CYS   9   8.229   0.642   4.710
   62    HB3  CYS   9           HB3      CYS   9   8.464   1.086   3.023
   63    H    SER  10           H        SER  10   7.750   1.845   6.274
   64    HA   SER  10           HA       SER  10   9.641   2.548   8.419
   65    HB2  SER  10           HB2      SER  10   7.686   2.932   9.842
   66    HB3  SER  10           HB3      SER  10   7.574   3.902   8.373
   67    HG   SER  10           HG       SER  10   5.600   2.881   8.799
   68    H    SER  11           H        SER  11   7.730   0.032   7.040
   69    HA   SER  11           HA       SER  11   8.682  -1.801   9.131
   70    HB2  SER  11           HB2      SER  11   5.959  -2.089   7.863
   71    HB3  SER  11           HB3      SER  11   6.592  -2.913   9.289
   72    HG   SER  11           HG       SER  11   5.110  -1.107   9.679
   73    H    THR  12           H        THR  12   8.641  -4.096   8.419
   74    HA   THR  12           HA       THR  12   9.916  -4.352   5.888
   75    HB   THR  12           HB       THR  12   9.983  -6.763   6.365
   76    HG1  THR  12           HG1      THR  12   8.892  -7.613   8.078
   77   HG21  THR  12          HG21      THR  12  11.780  -5.660   7.354
   78   HG22  THR  12          HG22      THR  12  11.073  -6.543   8.707
   79   HG23  THR  12          HG23      THR  12  10.752  -4.820   8.515
   80    H    SER  13           H        SER  13   6.652  -4.602   6.956
   81    HA   SER  13           HA       SER  13   5.572  -6.363   5.084
   82    HB2  SER  13           HB2      SER  13   4.431  -5.276   7.108
   83    HB3  SER  13           HB3      SER  13   4.133  -3.895   6.052
   84    HG   SER  13           HG       SER  13   3.421  -6.476   5.202
   85    H    ASP  14           H        ASP  14   6.762  -3.151   4.707
   86    HA   ASP  14           HA       ASP  14   5.345  -2.522   2.306
   87    HB2  ASP  14           HB2      ASP  14   7.680  -1.332   3.764
   88    HB3  ASP  14           HB3      ASP  14   7.311  -0.802   2.125
   89    H    CYS  15           H        CYS  15   8.519  -3.878   3.053
   90    HA   CYS  15           HA       CYS  15   9.513  -3.884   0.409
   91    HB2  CYS  15           HB2      CYS  15  10.222  -5.610   2.789
   92    HB3  CYS  15           HB3      CYS  15  11.129  -5.584   1.280
   93    H    CYS  16           H        CYS  16   8.667  -4.942  -1.250
   94    HA   CYS  16           HA       CYS  16   7.513  -7.613  -0.774
   95    HB2  CYS  16           HB2      CYS  16   6.729  -5.594  -2.888
   96    HB3  CYS  16           HB3      CYS  16   6.027  -7.196  -2.690
   97    H    LYS  17           H        LYS  17   9.947  -5.855  -2.303
   98    HA   LYS  17           HA       LYS  17  10.320  -7.802  -4.448
   99    HB2  LYS  17           HB2      LYS  17  12.067  -5.417  -3.855
  100    HB3  LYS  17           HB3      LYS  17  11.917  -6.301  -5.369
  101    HG2  LYS  17           HG2      LYS  17   9.726  -4.653  -4.125
  102    HG3  LYS  17           HG3      LYS  17  10.810  -4.096  -5.402
  103    HD2  LYS  17           HD2      LYS  17   9.102  -4.815  -6.715
  104    HD3  LYS  17           HD3      LYS  17   9.948  -6.355  -6.540
  105    HE2  LYS  17           HE2      LYS  17   8.396  -7.191  -5.060
  106    HE3  LYS  17           HE3      LYS  17   7.889  -5.591  -4.522
  107    HZ1  LYS  17           HZ1      LYS  17   6.913  -5.309  -6.802
  108    HZ2  LYS  17           HZ2      LYS  17   6.141  -6.449  -5.819
  109    HZ3  LYS  17           HZ3      LYS  17   7.182  -6.961  -7.051
  110    H    HIS  18           H        HIS  18  10.630  -8.769  -1.811
  111    HA   HIS  18           HA       HIS  18  12.026 -10.091  -0.595
  112    HB2  HIS  18           HB2      HIS  18  14.009  -9.828  -2.856
  113    HB3  HIS  18           HB3      HIS  18  13.878 -11.138  -1.685
  114    HD1  HIS  18           HD1      HIS  18  12.873 -10.201  -5.028
  115    HD2  HIS  18           HD2      HIS  18  11.376 -12.672  -2.043
  116    HE1  HIS  18           HE1      HIS  18  11.247 -11.736  -6.179
  117    H    LEU  19           H        LEU  19  12.059  -7.318  -0.115
  118    HA   LEU  19           HA       LEU  19  14.877  -6.842   0.596
  119    HB2  LEU  19           HB2      LEU  19  12.623  -4.889   0.168
  120    HB3  LEU  19           HB3      LEU  19  14.221  -4.449   0.765
  121    HG   LEU  19           HG       LEU  19  14.132  -5.881  -1.821
  122   HD11  LEU  19          HD11      LEU  19  13.470  -2.959  -1.766
  123   HD12  LEU  19          HD12      LEU  19  12.207  -4.189  -1.787
  124   HD13  LEU  19          HD13      LEU  19  13.370  -4.096  -3.110
  125   HD21  LEU  19          HD21      LEU  19  15.813  -3.954  -0.372
  126   HD22  LEU  19          HD22      LEU  19  15.699  -3.691  -2.112
  127   HD23  LEU  19          HD23      LEU  19  16.263  -5.242  -1.489
  128    H    SER  20           H        SER  20  15.189  -5.579   2.628
  129    HA   SER  20           HA       SER  20  13.188  -6.341   4.654
  130    HB2  SER  20           HB2      SER  20  14.998  -6.732   6.236
  131    HB3  SER  20           HB3      SER  20  15.255  -7.713   4.793
  132    HG   SER  20           HG       SER  20  16.869  -6.379   4.160
  133    H    CYS  21           H        CYS  21  12.226  -4.598   5.439
  134    HA   CYS  21           HA       CYS  21  13.417  -1.988   5.249
  135    HB2  CYS  21           HB2      CYS  21  10.874  -2.761   5.154
  136    HB3  CYS  21           HB3      CYS  21  10.972  -2.465   6.887
  137    H    ARG  22           H        ARG  22  15.017  -1.481   6.604
  138    HA   ARG  22           HA       ARG  22  15.107  -2.544   9.292
  139    HB2  ARG  22           HB2      ARG  22  16.936  -0.720   7.733
  140    HB3  ARG  22           HB3      ARG  22  17.216  -1.135   9.419
  141    HG2  ARG  22           HG2      ARG  22  17.005  -3.592   8.509
  142    HG3  ARG  22           HG3      ARG  22  17.447  -2.821   6.984
  143    HD2  ARG  22           HD2      ARG  22  19.513  -3.382   7.836
  144    HD3  ARG  22           HD3      ARG  22  19.333  -1.723   8.404
  145    HE   ARG  22           HE       ARG  22  18.312  -3.409  10.373
  146   HH11  ARG  22          HH11      ARG  22  21.364  -2.693   8.858
  147   HH12  ARG  22          HH12      ARG  22  22.302  -3.103  10.256
  148   HH21  ARG  22          HH21      ARG  22  19.536  -3.952  12.219
  149   HH22  ARG  22          HH22      ARG  22  21.261  -3.820  12.167
  150    H    SER  23           H        SER  23  14.712  -1.466  11.159
  151    HA   SER  23           HA       SER  23  13.131   0.920  11.007
  152    HB2  SER  23           HB2      SER  23  12.700  -0.896  12.658
  153    HB3  SER  23           HB3      SER  23  14.212  -0.480  13.465
  154    HG   SER  23           HG       SER  23  12.060   0.497  14.178
  155    H    ASP  24           H        ASP  24  16.405   0.396  10.987
  156    HA   ASP  24           HA       ASP  24  17.264   2.550  12.665
  157    HB2  ASP  24           HB2      ASP  24  18.700   0.985  10.512
  158    HB3  ASP  24           HB3      ASP  24  19.473   2.184  11.545
  159    H    TRP  25           H        TRP  25  17.337   2.117   9.122
  160    HA   TRP  25           HA       TRP  25  17.438   5.034   8.834
  161    HB2  TRP  25           HB2      TRP  25  18.343   2.741   7.171
  162    HB3  TRP  25           HB3      TRP  25  17.807   4.188   6.322
  163    HD1  TRP  25           HD1      TRP  25  20.190   3.497   9.325
  164    HE1  TRP  25           HE1      TRP  25  22.278   4.969   9.019
  165    HE3  TRP  25           HE3      TRP  25  18.885   5.866   4.987
  166    HZ2  TRP  25           HZ2      TRP  25  23.245   6.883   7.183
  167    HZ3  TRP  25           HZ3      TRP  25  20.447   7.504   4.022
  168    HH2  TRP  25           HH2      TRP  25  22.581   8.001   5.099
  169    H    LYS  26           H        LYS  26  15.285   2.448   8.656
  170    HA   LYS  26           HA       LYS  26  13.108   2.275   8.018
  171    HB2  LYS  26           HB2      LYS  26  13.157   5.238   7.463
  172    HB3  LYS  26           HB3      LYS  26  11.774   4.242   7.897
  173    HG2  LYS  26           HG2      LYS  26  12.756   3.889  10.126
  174    HG3  LYS  26           HG3      LYS  26  14.092   4.955   9.683
  175    HD2  LYS  26           HD2      LYS  26  11.273   5.916   9.426
  176    HD3  LYS  26           HD3      LYS  26  12.054   5.900  11.009
  177    HE2  LYS  26           HE2      LYS  26  13.458   7.122   8.672
  178    HE3  LYS  26           HE3      LYS  26  12.186   8.024   9.495
  179    HZ1  LYS  26           HZ1      LYS  26  13.676   7.149  11.551
  180    HZ2  LYS  26           HZ2      LYS  26  13.844   8.669  10.828
  181    HZ3  LYS  26           HZ3      LYS  26  14.864   7.398  10.373
  182    H    TYR  27           H        TYR  27  14.797   1.483   6.124
  183    HA   TYR  27           HA       TYR  27  13.375   2.146   3.687
  184    HB2  TYR  27           HB2      TYR  27  15.201   2.896   2.424
  185    HB3  TYR  27           HB3      TYR  27  15.386   3.738   3.958
  186    HD1  TYR  27           HD2      TYR  27  16.718   2.020   5.731
  187    HD2  TYR  27           HD1      TYR  27  17.227   2.296   1.516
  188    HE1  TYR  27           HE2      TYR  27  18.998   1.123   5.953
  189    HE2  TYR  27           HE1      TYR  27  19.507   1.399   1.726
  190    HH   TYR  27           HH       TYR  27  21.259   1.202   3.405
  191    H    CYS  28           H        CYS  28  13.370   0.500   2.203
  192    HA   CYS  28           HA       CYS  28  13.772  -2.102   3.050
  193    HB2  CYS  28           HB2      CYS  28  13.412  -0.820   0.378
  194    HB3  CYS  28           HB3      CYS  28  13.887  -2.515   0.435
  195    H    ALA  29           H        ALA  29  15.332  -3.687   2.581
  196    HA   ALA  29           HA       ALA  29  17.929  -2.692   1.624
  197    HB1  ALA  29           HB1      ALA  29  19.102  -3.444   3.437
  198    HB2  ALA  29           HB2      ALA  29  17.594  -2.970   4.222
  199    HB3  ALA  29           HB3      ALA  29  17.899  -4.667   3.849
  200    H    TRP  30           H        TRP  30  19.148  -4.130   0.450
  201    HA   TRP  30           HA       TRP  30  17.733  -6.344  -0.705
  202    HB2  TRP  30           HB2      TRP  30  20.253  -4.893  -1.225
  203    HB3  TRP  30           HB3      TRP  30  20.255  -6.594  -1.682
  204    HD1  TRP  30           HD1      TRP  30  19.858  -3.552  -3.367
  205    HE1  TRP  30           HE1      TRP  30  18.211  -3.673  -5.341
  206    HE3  TRP  30           HE3      TRP  30  17.436  -7.883  -2.138
  207    HZ2  TRP  30           HZ2      TRP  30  16.156  -5.379  -6.255
  208    HZ3  TRP  30           HZ3      TRP  30  15.642  -8.691  -3.615
  209    HH2  TRP  30           HH2      TRP  30  15.016  -7.463  -5.630
  210    H    ASP  31           H        ASP  31  18.838  -8.498  -0.955
  211    HA   ASP  31           HA       ASP  31  19.526 -10.445   0.001
  212    HB2  ASP  31           HB2      ASP  31  21.674  -8.934  -0.016
  213    HB3  ASP  31           HB3      ASP  31  21.448  -8.933   1.731
  214    H    GLY  32           H        GLY  32  17.410  -8.841   1.307
  215    HA2  GLY  32           HA2      GLY  32  16.132  -8.898   3.213
  216    HA3  GLY  32           HA3      GLY  32  16.878 -10.462   3.501
  217    H    THR  33           H        THR  33  16.827 -10.041   5.755
  218    HA   THR  33           HA       THR  33  17.983  -7.806   6.994
  219    HB   THR  33           HB       THR  33  18.085 -10.488   8.320
  220    HG1  THR  33           HG1      THR  33  15.831 -10.306   8.716
  221   HG21  THR  33          HG21      THR  33  18.674  -8.952   9.892
  222   HG22  THR  33          HG22      THR  33  16.923  -8.827  10.068
  223   HG23  THR  33          HG23      THR  33  17.799  -7.644   9.098
  224    H    PHE  34           H        PHE  34  19.996  -7.493   7.979
  225    HA   PHE  34           HA       PHE  34  22.151  -9.169   6.877
  226    HB2  PHE  34           HB2      PHE  34  21.959  -6.236   7.456
  227    HB3  PHE  34           HB3      PHE  34  23.533  -7.023   7.492
  228    HD1  PHE  34           HD2      PHE  34  23.958  -8.601   5.373
  229    HD2  PHE  34           HD1      PHE  34  21.316  -5.266   5.488
  230    HE1  PHE  34           HE2      PHE  34  24.115  -8.397   2.926
  231    HE2  PHE  34           HE1      PHE  34  21.468  -5.057   3.041
  232    HZ   PHE  34           HZ       PHE  34  22.869  -6.623   1.757
  233    H    SER  35           H        SER  35  23.319 -10.332   8.250
  234    HA   SER  35           HA       SER  35  23.890  -9.396  10.921
  235    HB2  SER  35           HB2      SER  35  22.078 -11.750  10.419
  236    HB3  SER  35           HB3      SER  35  23.028 -11.620  11.899
  237    HG   SER  35           HG       SER  35  21.478 -10.394  12.587
  Start of MODEL    7
    1    H1   GLU   1           H        GLU   1   1.213  -1.984  -0.552
    2    HA   GLU   1           HA       GLU   1   2.053  -0.010  -2.467
    3    HB2  GLU   1           HB2      GLU   1   1.106   1.438  -0.727
    4    HB3  GLU   1           HB3      GLU   1   2.127   0.668   0.479
    5    HG2  GLU   1           HG2      GLU   1   4.093   1.442  -0.961
    6    HG3  GLU   1           HG3      GLU   1   2.923   2.492  -1.757
    7    H    CYS   2           H        CYS   2   3.981  -0.655  -3.134
    8    HA   CYS   2           HA       CYS   2   5.875  -1.763  -1.185
    9    HB2  CYS   2           HB2      CYS   2   5.469  -2.978  -3.918
   10    HB3  CYS   2           HB3      CYS   2   6.453  -3.602  -2.598
   11    H    ARG   3           H        ARG   3   7.985  -1.218  -1.513
   12    HA   ARG   3           HA       ARG   3   8.644   0.279  -3.955
   13    HB2  ARG   3           HB2      ARG   3   9.598   1.099  -1.213
   14    HB3  ARG   3           HB3      ARG   3   9.768   1.985  -2.723
   15    HG2  ARG   3           HG2      ARG   3   7.015   1.572  -2.360
   16    HG3  ARG   3           HG3      ARG   3   7.659   2.078  -0.797
   17    HD2  ARG   3           HD2      ARG   3   8.740   4.001  -1.900
   18    HD3  ARG   3           HD3      ARG   3   8.015   3.507  -3.429
   19    HE   ARG   3           HE       ARG   3   6.121   3.915  -1.297
   20   HH11  ARG   3          HH11      ARG   3   7.885   5.394  -3.909
   21   HH12  ARG   3          HH12      ARG   3   6.760   6.698  -4.103
   22   HH21  ARG   3          HH21      ARG   3   4.633   5.625  -1.544
   23   HH22  ARG   3          HH22      ARG   3   4.911   6.828  -2.757
   24    H    TYR   4           H        TYR   4  11.121   0.661  -4.024
   25    HA   TYR   4           HA       TYR   4  12.356  -1.948  -3.698
   26    HB2  TYR   4           HB2      TYR   4  14.300  -0.605  -4.872
   27    HB3  TYR   4           HB3      TYR   4  12.901  -1.150  -5.790
   28    HD1  TYR   4           HD2      TYR   4  14.483   1.777  -4.191
   29    HD2  TYR   4           HD1      TYR   4  11.386   0.410  -6.769
   30    HE1  TYR   4           HE2      TYR   4  14.049   4.095  -4.890
   31    HE2  TYR   4           HE1      TYR   4  10.945   2.724  -7.476
   32    HH   TYR   4           HH       TYR   4  11.432   5.167  -6.183
   33    H    LEU   5           H        LEU   5  14.939  -1.555  -3.294
   34    HA   LEU   5           HA       LEU   5  15.243  -1.251  -0.568
   35    HB2  LEU   5           HB2      LEU   5  16.844  -2.263  -2.270
   36    HB3  LEU   5           HB3      LEU   5  17.425  -0.621  -2.535
   37    HG   LEU   5           HG       LEU   5  17.445  -1.880   0.192
   38   HD11  LEU   5          HD11      LEU   5  18.743  -3.426  -0.955
   39   HD12  LEU   5          HD12      LEU   5  19.928  -2.256  -0.375
   40   HD13  LEU   5          HD13      LEU   5  19.395  -2.212  -2.056
   41   HD21  LEU   5          HD21      LEU   5  19.478  -0.246   0.250
   42   HD22  LEU   5          HD22      LEU   5  17.838   0.375   0.443
   43   HD23  LEU   5          HD23      LEU   5  18.658   0.515  -1.114
   44    H    PHE   6           H        PHE   6  15.925   1.141  -3.111
   45    HA   PHE   6           HA       PHE   6  16.574   3.193  -1.207
   46    HB2  PHE   6           HB2      PHE   6  16.189   3.184  -4.198
   47    HB3  PHE   6           HB3      PHE   6  16.501   4.664  -3.298
   48    HD1  PHE   6           HD1      PHE   6  17.889   1.344  -4.142
   49    HD2  PHE   6           HD2      PHE   6  18.675   5.244  -2.629
   50    HE1  PHE   6           HE1      PHE   6  20.306   0.897  -4.256
   51    HE2  PHE   6           HE2      PHE   6  21.093   4.804  -2.742
   52    HZ   PHE   6           HZ       PHE   6  21.911   2.629  -3.557
   53    H    GLY   7           H        GLY   7  13.708   1.843  -2.175
   54    HA2  GLY   7           HA2      GLY   7  11.972   3.971  -2.608
   55    HA3  GLY   7           HA3      GLY   7  11.515   2.446  -1.865
   56    H    GLY   8           H        GLY   8  12.187   2.257   0.509
   57    HA2  GLY   8           HA2      GLY   8  12.639   3.435   2.573
   58    HA3  GLY   8           HA3      GLY   8  11.932   4.872   1.849
   59    H    CYS   9           H        CYS   9  11.396   2.847   4.225
   60    HA   CYS   9           HA       CYS   9   8.546   3.290   4.203
   61    HB2  CYS   9           HB2      CYS   9   8.127   0.809   4.722
   62    HB3  CYS   9           HB3      CYS   9   8.411   1.250   3.041
   63    H    SER  10           H        SER  10   7.621   2.023   6.267
   64    HA   SER  10           HA       SER  10   9.478   2.653   8.466
   65    HB2  SER  10           HB2      SER  10   7.601   4.161   8.500
   66    HB3  SER  10           HB3      SER  10   6.460   2.825   8.344
   67    HG   SER  10           HG       SER  10   6.469   3.205  10.471
   68    H    SER  11           H        SER  11   7.459   0.253   7.036
   69    HA   SER  11           HA       SER  11   8.183  -1.609   9.197
   70    HB2  SER  11           HB2      SER  11   5.832  -1.135   9.479
   71    HB3  SER  11           HB3      SER  11   5.525  -1.411   7.765
   72    HG   SER  11           HG       SER  11   5.139  -3.179   9.445
   73    H    THR  12           H        THR  12   8.226  -3.879   8.528
   74    HA   THR  12           HA       THR  12   9.631  -4.198   6.072
   75    HB   THR  12           HB       THR  12   9.539  -6.653   6.631
   76    HG1  THR  12           HG1      THR  12   7.889  -7.080   7.918
   77   HG21  THR  12          HG21      THR  12  10.715  -4.517   8.295
   78   HG22  THR  12          HG22      THR  12  11.491  -5.864   7.461
   79   HG23  THR  12          HG23      THR  12  10.696  -6.127   9.013
   80    H    SER  13           H        SER  13   6.320  -4.534   7.024
   81    HA   SER  13           HA       SER  13   5.391  -6.312   5.077
   82    HB2  SER  13           HB2      SER  13   4.026  -5.589   6.989
   83    HB3  SER  13           HB3      SER  13   3.940  -3.960   6.319
   84    HG   SER  13           HG       SER  13   2.121  -4.888   5.600
   85    H    ASP  14           H        ASP  14   6.475  -3.065   4.812
   86    HA   ASP  14           HA       ASP  14   5.070  -2.371   2.429
   87    HB2  ASP  14           HB2      ASP  14   6.271  -0.836   4.164
   88    HB3  ASP  14           HB3      ASP  14   7.706  -1.156   3.193
   89    H    CYS  15           H        CYS  15   8.244  -3.754   3.122
   90    HA   CYS  15           HA       CYS  15   9.198  -3.689   0.453
   91    HB2  CYS  15           HB2      CYS  15  10.006  -5.465   2.766
   92    HB3  CYS  15           HB3      CYS  15  10.901  -5.297   1.259
   93    H    CYS  16           H        CYS  16   8.393  -4.779  -1.203
   94    HA   CYS  16           HA       CYS  16   7.306  -7.476  -0.718
   95    HB2  CYS  16           HB2      CYS  16   6.418  -5.579  -2.896
   96    HB3  CYS  16           HB3      CYS  16   5.682  -7.117  -2.456
   97    H    LYS  17           H        LYS  17   9.717  -5.706  -2.190
   98    HA   LYS  17           HA       LYS  17  10.056  -7.541  -4.437
   99    HB2  LYS  17           HB2      LYS  17  11.309  -4.928  -3.657
  100    HB3  LYS  17           HB3      LYS  17  12.096  -5.972  -4.833
  101    HG2  LYS  17           HG2      LYS  17   9.231  -5.178  -5.167
  102    HG3  LYS  17           HG3      LYS  17  10.539  -4.105  -5.671
  103    HD2  LYS  17           HD2      LYS  17  11.450  -5.983  -7.042
  104    HD3  LYS  17           HD3      LYS  17  10.003  -6.911  -6.639
  105    HE2  LYS  17           HE2      LYS  17   8.660  -5.002  -7.596
  106    HE3  LYS  17           HE3      LYS  17  10.179  -4.340  -8.197
  107    HZ1  LYS  17           HZ1      LYS  17   9.837  -5.600  -9.979
  108    HZ2  LYS  17           HZ2      LYS  17   8.595  -6.478  -9.239
  109    HZ3  LYS  17           HZ3      LYS  17  10.206  -6.942  -9.018
  110    H    HIS  18           H        HIS  18  10.349  -8.650  -1.854
  111    HA   HIS  18           HA       HIS  18  11.721 -10.060  -0.712
  112    HB2  HIS  18           HB2      HIS  18  13.708  -9.709  -2.957
  113    HB3  HIS  18           HB3      HIS  18  13.559 -11.075  -1.857
  114    HD1  HIS  18           HD1      HIS  18  11.944 -12.910  -2.493
  115    HD2  HIS  18           HD2      HIS  18  11.656  -9.576  -4.954
  116    HE1  HIS  18           HE1      HIS  18  10.452 -13.605  -4.394
  117    H    LEU  19           H        LEU  19  11.798  -7.321  -0.079
  118    HA   LEU  19           HA       LEU  19  14.609  -6.996   0.748
  119    HB2  LEU  19           HB2      LEU  19  12.565  -4.834   0.263
  120    HB3  LEU  19           HB3      LEU  19  14.233  -4.588   0.776
  121    HG   LEU  19           HG       LEU  19  13.885  -6.053  -1.759
  122   HD11  LEU  19          HD11      LEU  19  13.509  -3.089  -1.836
  123   HD12  LEU  19          HD12      LEU  19  12.119  -4.158  -1.652
  124   HD13  LEU  19          HD13      LEU  19  13.156  -4.298  -3.071
  125   HD21  LEU  19          HD21      LEU  19  16.044  -5.266  -0.650
  126   HD22  LEU  19          HD22      LEU  19  15.577  -3.644  -1.161
  127   HD23  LEU  19          HD23      LEU  19  15.838  -4.906  -2.365
  128    H    SER  20           H        SER  20  14.868  -5.730   2.787
  129    HA   SER  20           HA       SER  20  12.670  -6.301   4.667
  130    HB2  SER  20           HB2      SER  20  15.617  -6.797   4.914
  131    HB3  SER  20           HB3      SER  20  14.664  -6.476   6.362
  132    HG   SER  20           HG       SER  20  13.713  -8.361   6.168
  133    H    CYS  21           H        CYS  21  11.845  -4.520   5.516
  134    HA   CYS  21           HA       CYS  21  13.174  -1.988   5.291
  135    HB2  CYS  21           HB2      CYS  21  10.589  -2.631   5.287
  136    HB3  CYS  21           HB3      CYS  21  10.762  -2.314   7.010
  137    H    ARG  22           H        ARG  22  14.839  -1.556   6.591
  138    HA   ARG  22           HA       ARG  22  15.023  -2.638   9.252
  139    HB2  ARG  22           HB2      ARG  22  16.760  -0.708   7.710
  140    HB3  ARG  22           HB3      ARG  22  17.122  -1.246   9.345
  141    HG2  ARG  22           HG2      ARG  22  17.283  -3.544   8.578
  142    HG3  ARG  22           HG3      ARG  22  16.860  -3.039   6.941
  143    HD2  ARG  22           HD2      ARG  22  19.186  -3.213   6.892
  144    HD3  ARG  22           HD3      ARG  22  18.894  -1.487   7.105
  145    HE   ARG  22           HE       ARG  22  19.954  -1.614   9.119
  146   HH11  ARG  22          HH11      ARG  22  18.937  -4.812   8.194
  147   HH12  ARG  22          HH12      ARG  22  19.728  -5.590   9.525
  148   HH21  ARG  22          HH21      ARG  22  21.000  -2.626  10.875
  149   HH22  ARG  22          HH22      ARG  22  20.900  -4.345  11.050
  150    H    SER  23           H        SER  23  14.610  -1.648  11.150
  151    HA   SER  23           HA       SER  23  13.043   0.752  11.117
  152    HB2  SER  23           HB2      SER  23  12.874  -1.313  12.712
  153    HB3  SER  23           HB3      SER  23  14.121  -0.476  13.635
  154    HG   SER  23           HG       SER  23  12.537   0.631  14.440
  155    H    ASP  24           H        ASP  24  16.308   0.219  11.030
  156    HA   ASP  24           HA       ASP  24  17.169   2.322  12.790
  157    HB2  ASP  24           HB2      ASP  24  18.503   0.489  10.841
  158    HB3  ASP  24           HB3      ASP  24  19.358   1.938  11.365
  159    H    TRP  25           H        TRP  25  17.315   1.923   9.246
  160    HA   TRP  25           HA       TRP  25  17.493   4.836   8.983
  161    HB2  TRP  25           HB2      TRP  25  18.342   2.527   7.324
  162    HB3  TRP  25           HB3      TRP  25  17.811   3.964   6.456
  163    HD1  TRP  25           HD1      TRP  25  20.210   3.307   9.453
  164    HE1  TRP  25           HE1      TRP  25  22.309   4.756   9.106
  165    HE3  TRP  25           HE3      TRP  25  18.895   5.606   5.080
  166    HZ2  TRP  25           HZ2      TRP  25  23.279   6.626   7.226
  167    HZ3  TRP  25           HZ3      TRP  25  20.464   7.211   4.074
  168    HH2  TRP  25           HH2      TRP  25  22.610   7.710   5.126
  169    H    LYS  26           H        LYS  26  15.233   2.357   8.827
  170    HA   LYS  26           HA       LYS  26  13.049   2.273   8.197
  171    HB2  LYS  26           HB2      LYS  26  13.263   5.230   7.630
  172    HB3  LYS  26           HB3      LYS  26  11.810   4.314   8.009
  173    HG2  LYS  26           HG2      LYS  26  12.692   3.892  10.267
  174    HG3  LYS  26           HG3      LYS  26  14.104   4.878   9.878
  175    HD2  LYS  26           HD2      LYS  26  11.326   5.971   9.589
  176    HD3  LYS  26           HD3      LYS  26  12.146   5.972  11.152
  177    HE2  LYS  26           HE2      LYS  26  13.756   7.471  10.453
  178    HE3  LYS  26           HE3      LYS  26  13.551   7.056   8.752
  179    HZ1  LYS  26           HZ1      LYS  26  12.398   9.171  10.147
  180    HZ2  LYS  26           HZ2      LYS  26  11.142   8.116   9.737
  181    HZ3  LYS  26           HZ3      LYS  26  12.151   8.738   8.530
  182    H    TYR  27           H        TYR  27  14.715   1.393   6.309
  183    HA   TYR  27           HA       TYR  27  13.305   2.070   3.867
  184    HB2  TYR  27           HB2      TYR  27  15.150   2.740   2.587
  185    HB3  TYR  27           HB3      TYR  27  15.371   3.595   4.110
  186    HD1  TYR  27           HD2      TYR  27  16.646   1.839   5.897
  187    HD2  TYR  27           HD1      TYR  27  17.154   2.071   1.679
  188    HE1  TYR  27           HE2      TYR  27  18.894   0.867   6.120
  189    HE2  TYR  27           HE1      TYR  27  19.403   1.099   1.891
  190    HH   TYR  27           HH       TYR  27  20.467  -0.565   4.296
  191    H    CYS  28           H        CYS  28  13.379   0.448   2.307
  192    HA   CYS  28           HA       CYS  28  13.608  -2.174   3.197
  193    HB2  CYS  28           HB2      CYS  28  13.488  -0.923   0.474
  194    HB3  CYS  28           HB3      CYS  28  13.761  -2.656   0.629
  195    H    ALA  29           H        ALA  29  15.101  -3.850   2.656
  196    HA   ALA  29           HA       ALA  29  17.775  -2.965   1.837
  197    HB1  ALA  29           HB1      ALA  29  17.401  -4.793   4.192
  198    HB2  ALA  29           HB2      ALA  29  18.868  -3.968   3.664
  199    HB3  ALA  29           HB3      ALA  29  17.539  -3.043   4.364
  200    H    TRP  30           H        TRP  30  18.961  -4.467   0.714
  201    HA   TRP  30           HA       TRP  30  17.501  -6.623  -0.471
  202    HB2  TRP  30           HB2      TRP  30  20.135  -5.339  -0.851
  203    HB3  TRP  30           HB3      TRP  30  20.056  -7.043  -1.290
  204    HD1  TRP  30           HD1      TRP  30  19.952  -4.003  -3.024
  205    HE1  TRP  30           HE1      TRP  30  18.422  -4.048  -5.093
  206    HE3  TRP  30           HE3      TRP  30  17.197  -8.162  -1.907
  207    HZ2  TRP  30           HZ2      TRP  30  16.325  -5.637  -6.117
  208    HZ3  TRP  30           HZ3      TRP  30  15.449  -8.877  -3.483
  209    HH2  TRP  30           HH2      TRP  30  15.023  -7.639  -5.544
  210    H    ASP  31           H        ASP  31  18.481  -8.845  -0.628
  211    HA   ASP  31           HA       ASP  31  18.909 -10.819   0.429
  212    HB2  ASP  31           HB2      ASP  31  21.004  -9.378   2.034
  213    HB3  ASP  31           HB3      ASP  31  21.041 -11.016   1.388
  214    H    GLY  32           H        GLY  32  16.946  -9.029   1.661
  215    HA2  GLY  32           HA2      GLY  32  15.677  -8.897   3.569
  216    HA3  GLY  32           HA3      GLY  32  16.335 -10.480   3.955
  217    H    THR  33           H        THR  33  17.326 -10.587   5.845
  218    HA   THR  33           HA       THR  33  18.004  -8.226   7.313
  219    HB   THR  33           HB       THR  33  18.653 -11.104   7.977
  220    HG1  THR  33           HG1      THR  33  16.724 -10.758   9.368
  221   HG21  THR  33          HG21      THR  33  18.786  -8.533   9.512
  222   HG22  THR  33          HG22      THR  33  19.975  -9.831   9.406
  223   HG23  THR  33          HG23      THR  33  18.502 -10.059  10.348
  224    H    PHE  34           H        PHE  34  19.985  -7.377   7.784
  225    HA   PHE  34           HA       PHE  34  22.254  -8.474   6.262
  226    HB2  PHE  34           HB2      PHE  34  21.377  -5.698   6.891
  227    HB3  PHE  34           HB3      PHE  34  23.108  -6.003   6.791
  228    HD1  PHE  34           HD2      PHE  34  23.596  -7.692   4.644
  229    HD2  PHE  34           HD1      PHE  34  20.516  -4.775   4.989
  230    HE1  PHE  34           HE2      PHE  34  23.484  -7.526   2.192
  231    HE2  PHE  34           HE1      PHE  34  20.398  -4.605   2.537
  232    HZ   PHE  34           HZ       PHE  34  21.884  -5.980   1.135
  233    H    SER  35           H        SER  35  24.072  -9.062   7.294
  234    HA   SER  35           HA       SER  35  25.490  -9.608   8.986
  235    HB2  SER  35           HB2      SER  35  25.635  -7.078   9.074
  236    HB3  SER  35           HB3      SER  35  24.470  -7.137  10.396
  237    HG   SER  35           HG       SER  35  26.362  -7.219  11.431
  Start of MODEL    8
    1    H1   GLU   1           H        GLU   1   0.456  -1.023  -2.270
    2    HA   GLU   1           HA       GLU   1   2.385   0.717  -1.678
    3    HB2  GLU   1           HB2      GLU   1   0.985  -1.237   0.120
    4    HB3  GLU   1           HB3      GLU   1   2.178  -0.126   0.778
    5    HG2  GLU   1           HG2      GLU   1  -0.280   0.685  -0.758
    6    HG3  GLU   1           HG3      GLU   1  -0.123   0.700   0.998
    7    H    CYS   2           H        CYS   2   4.037  -0.627  -3.087
    8    HA   CYS   2           HA       CYS   2   5.970  -1.738  -1.180
    9    HB2  CYS   2           HB2      CYS   2   5.515  -2.950  -3.907
   10    HB3  CYS   2           HB3      CYS   2   6.531  -3.571  -2.609
   11    H    ARG   3           H        ARG   3   8.071  -1.183  -1.548
   12    HA   ARG   3           HA       ARG   3   8.685   0.303  -4.007
   13    HB2  ARG   3           HB2      ARG   3   9.649   1.176  -1.285
   14    HB3  ARG   3           HB3      ARG   3   9.793   2.043  -2.808
   15    HG2  ARG   3           HG2      ARG   3   7.057   1.627  -2.459
   16    HG3  ARG   3           HG3      ARG   3   7.672   2.085  -0.870
   17    HD2  ARG   3           HD2      ARG   3   8.758   4.049  -1.884
   18    HD3  ARG   3           HD3      ARG   3   8.075   3.600  -3.447
   19    HE   ARG   3           HE       ARG   3   6.114   3.914  -1.367
   20   HH11  ARG   3          HH11      ARG   3   7.974   5.533  -3.825
   21   HH12  ARG   3          HH12      ARG   3   6.854   6.844  -3.993
   22   HH21  ARG   3          HH21      ARG   3   4.632   5.636  -1.579
   23   HH22  ARG   3          HH22      ARG   3   4.955   6.903  -2.714
   24    H    TYR   4           H        TYR   4  11.155   0.718  -4.101
   25    HA   TYR   4           HA       TYR   4  12.429  -1.869  -3.753
   26    HB2  TYR   4           HB2      TYR   4  14.349  -0.511  -4.948
   27    HB3  TYR   4           HB3      TYR   4  12.952  -1.083  -5.854
   28    HD1  TYR   4           HD2      TYR   4  14.494   1.881  -4.281
   29    HD2  TYR   4           HD1      TYR   4  11.420   0.446  -6.850
   30    HE1  TYR   4           HE2      TYR   4  14.025   4.187  -5.000
   31    HE2  TYR   4           HE1      TYR   4  10.944   2.747  -7.576
   32    HH   TYR   4           HH       TYR   4  12.232   4.944  -7.693
   33    H    LEU   5           H        LEU   5  15.007  -1.438  -3.364
   34    HA   LEU   5           HA       LEU   5  15.319  -1.102  -0.642
   35    HB2  LEU   5           HB2      LEU   5  16.928  -2.134  -2.299
   36    HB3  LEU   5           HB3      LEU   5  17.467  -0.495  -2.660
   37    HG   LEU   5           HG       LEU   5  17.555  -1.553   0.144
   38   HD11  LEU   5          HD11      LEU   5  18.726  -3.216  -1.136
   39   HD12  LEU   5          HD12      LEU   5  19.902  -2.209  -0.293
   40   HD13  LEU   5          HD13      LEU   5  19.614  -1.973  -2.017
   41   HD21  LEU   5          HD21      LEU   5  18.965   0.606  -1.403
   42   HD22  LEU   5          HD22      LEU   5  19.523   0.041   0.172
   43   HD23  LEU   5          HD23      LEU   5  17.926   0.773   0.012
   44    H    PHE   6           H        PHE   6  15.963   1.269  -3.215
   45    HA   PHE   6           HA       PHE   6  16.596   3.350  -1.337
   46    HB2  PHE   6           HB2      PHE   6  15.975   3.646  -4.280
   47    HB3  PHE   6           HB3      PHE   6  16.867   4.770  -3.260
   48    HD1  PHE   6           HD2      PHE   6  18.944   3.577  -2.016
   49    HD2  PHE   6           HD1      PHE   6  17.216   2.374  -5.715
   50    HE1  PHE   6           HE2      PHE   6  21.051   2.468  -2.636
   51    HE2  PHE   6           HE1      PHE   6  19.320   1.263  -6.341
   52    HZ   PHE   6           HZ       PHE   6  21.241   1.308  -4.800
   53    H    GLY   7           H        GLY   7  13.743   1.951  -2.248
   54    HA2  GLY   7           HA2      GLY   7  11.988   4.073  -2.697
   55    HA3  GLY   7           HA3      GLY   7  11.543   2.538  -1.967
   56    H    GLY   8           H        GLY   8  12.213   2.334   0.406
   57    HA2  GLY   8           HA2      GLY   8  12.655   3.504   2.480
   58    HA3  GLY   8           HA3      GLY   8  11.925   4.934   1.767
   59    H    CYS   9           H        CYS   9  11.415   2.956   4.156
   60    HA   CYS   9           HA       CYS   9   8.554   3.313   4.104
   61    HB2  CYS   9           HB2      CYS   9   8.205   0.831   4.675
   62    HB3  CYS   9           HB3      CYS   9   8.480   1.247   2.987
   63    H    SER  10           H        SER  10   7.650   2.067   6.188
   64    HA   SER  10           HA       SER  10   9.459   2.825   8.385
   65    HB2  SER  10           HB2      SER  10   7.329   4.137   8.155
   66    HB3  SER  10           HB3      SER  10   6.440   2.649   8.481
   67    HG   SER  10           HG       SER  10   7.877   2.604  10.454
   68    H    SER  11           H        SER  11   7.592   0.279   6.996
   69    HA   SER  11           HA       SER  11   8.465  -1.507   9.162
   70    HB2  SER  11           HB2      SER  11   5.777  -1.725   7.794
   71    HB3  SER  11           HB3      SER  11   6.359  -2.670   9.164
   72    HG   SER  11           HG       SER  11   5.458  -1.175  10.324
   73    H    THR  12           H        THR  12   8.499  -3.806   8.508
   74    HA   THR  12           HA       THR  12   9.847  -4.108   6.019
   75    HB   THR  12           HB       THR  12   9.928  -6.513   6.572
   76    HG1  THR  12           HG1      THR  12   9.040  -6.972   8.789
   77   HG21  THR  12          HG21      THR  12  10.526  -4.866   9.025
   78   HG22  THR  12          HG22      THR  12  11.519  -4.828   7.568
   79   HG23  THR  12          HG23      THR  12  11.344  -6.329   8.477
   80    H    SER  13           H        SER  13   6.565  -4.485   7.051
   81    HA   SER  13           HA       SER  13   5.613  -6.281   5.132
   82    HB2  SER  13           HB2      SER  13   4.344  -5.450   7.134
   83    HB3  SER  13           HB3      SER  13   4.087  -3.932   6.275
   84    HG   SER  13           HG       SER  13   2.335  -5.066   5.740
   85    H    ASP  14           H        ASP  14   6.641  -3.017   4.833
   86    HA   ASP  14           HA       ASP  14   5.175  -2.357   2.478
   87    HB2  ASP  14           HB2      ASP  14   7.479  -1.163   3.961
   88    HB3  ASP  14           HB3      ASP  14   7.167  -0.626   2.312
   89    H    CYS  15           H        CYS  15   8.387  -3.680   3.109
   90    HA   CYS  15           HA       CYS  15   9.287  -3.607   0.423
   91    HB2  CYS  15           HB2      CYS  15  10.166  -5.379   2.714
   92    HB3  CYS  15           HB3      CYS  15  11.033  -5.179   1.195
   93    H    CYS  16           H        CYS  16   8.485  -4.718  -1.220
   94    HA   CYS  16           HA       CYS  16   7.432  -7.424  -0.711
   95    HB2  CYS  16           HB2      CYS  16   6.502  -5.552  -2.893
   96    HB3  CYS  16           HB3      CYS  16   5.783  -7.090  -2.428
   97    H    LYS  17           H        LYS  17   9.807  -5.633  -2.220
   98    HA   LYS  17           HA       LYS  17  10.142  -7.479  -4.459
   99    HB2  LYS  17           HB2      LYS  17  11.373  -4.846  -3.710
  100    HB3  LYS  17           HB3      LYS  17  12.158  -5.887  -4.889
  101    HG2  LYS  17           HG2      LYS  17   9.295  -5.019  -5.151
  102    HG3  LYS  17           HG3      LYS  17  10.644  -4.085  -5.802
  103    HD2  LYS  17           HD2      LYS  17  11.338  -6.233  -6.990
  104    HD3  LYS  17           HD3      LYS  17   9.740  -6.850  -6.565
  105    HE2  LYS  17           HE2      LYS  17   8.772  -4.822  -7.687
  106    HE3  LYS  17           HE3      LYS  17  10.396  -4.451  -8.266
  107    HZ1  LYS  17           HZ1      LYS  17  10.157  -5.903  -9.903
  108    HZ2  LYS  17           HZ2      LYS  17   8.541  -6.116  -9.452
  109    HZ3  LYS  17           HZ3      LYS  17   9.733  -7.145  -8.834
  110    H    HIS  18           H        HIS  18  10.479  -8.562  -1.867
  111    HA   HIS  18           HA       HIS  18  11.882  -9.940  -0.725
  112    HB2  HIS  18           HB2      HIS  18  13.807  -9.605  -3.028
  113    HB3  HIS  18           HB3      HIS  18  13.726 -10.944  -1.887
  114    HD1  HIS  18           HD1      HIS  18  13.171 -10.585  -5.212
  115    HD2  HIS  18           HD2      HIS  18  10.651 -11.833  -2.154
  116    HE1  HIS  18           HE1      HIS  18  11.372 -11.937  -6.334
  117    H    LEU  19           H        LEU  19  11.939  -7.242  -0.059
  118    HA   LEU  19           HA       LEU  19  14.765  -6.872   0.691
  119    HB2  LEU  19           HB2      LEU  19  12.708  -4.721   0.214
  120    HB3  LEU  19           HB3      LEU  19  14.387  -4.468   0.687
  121    HG   LEU  19           HG       LEU  19  13.990  -5.968  -1.818
  122   HD11  LEU  19          HD11      LEU  19  13.202  -4.252  -3.137
  123   HD12  LEU  19          HD12      LEU  19  13.602  -3.011  -1.950
  124   HD13  LEU  19          HD13      LEU  19  12.217  -4.069  -1.686
  125   HD21  LEU  19          HD21      LEU  19  16.170  -5.166  -0.785
  126   HD22  LEU  19          HD22      LEU  19  15.679  -3.543  -1.272
  127   HD23  LEU  19          HD23      LEU  19  15.915  -4.796  -2.491
  128    H    SER  20           H        SER  20  15.052  -5.591   2.712
  129    HA   SER  20           HA       SER  20  12.885  -6.154   4.630
  130    HB2  SER  20           HB2      SER  20  15.842  -6.602   4.836
  131    HB3  SER  20           HB3      SER  20  14.913  -6.263   6.296
  132    HG   SER  20           HG       SER  20  13.483  -8.032   5.400
  133    H    CYS  21           H        CYS  21  12.038  -4.371   5.452
  134    HA   CYS  21           HA       CYS  21  13.299  -1.818   5.159
  135    HB2  CYS  21           HB2      CYS  21  10.740  -2.500   5.239
  136    HB3  CYS  21           HB3      CYS  21  10.951  -2.209   6.962
  137    H    ARG  22           H        ARG  22  15.053  -1.428   6.372
  138    HA   ARG  22           HA       ARG  22  15.399  -2.447   9.014
  139    HB2  ARG  22           HB2      ARG  22  16.917  -0.252   7.592
  140    HB3  ARG  22           HB3      ARG  22  17.435  -1.085   9.051
  141    HG2  ARG  22           HG2      ARG  22  16.833  -2.797   6.729
  142    HG3  ARG  22           HG3      ARG  22  18.249  -1.753   6.588
  143    HD2  ARG  22           HD2      ARG  22  17.884  -3.318   9.092
  144    HD3  ARG  22           HD3      ARG  22  18.407  -4.171   7.640
  145    HE   ARG  22           HE       ARG  22  19.985  -1.864   8.018
  146   HH11  ARG  22          HH11      ARG  22  19.453  -5.040   9.342
  147   HH12  ARG  22          HH12      ARG  22  21.071  -5.204   9.939
  148   HH21  ARG  22          HH21      ARG  22  22.118  -2.069   8.799
  149   HH22  ARG  22          HH22      ARG  22  22.585  -3.514   9.631
  150    H    SER  23           H        SER  23  14.940  -1.553  10.938
  151    HA   SER  23           HA       SER  23  13.239   0.755  11.017
  152    HB2  SER  23           HB2      SER  23  12.884  -1.155  12.532
  153    HB3  SER  23           HB3      SER  23  14.448  -0.846  13.286
  154    HG   SER  23           HG       SER  23  12.043   0.427  13.640
  155    H    ASP  24           H        ASP  24  16.525   0.412  10.847
  156    HA   ASP  24           HA       ASP  24  17.275   2.533  12.651
  157    HB2  ASP  24           HB2      ASP  24  18.697   0.493  11.871
  158    HB3  ASP  24           HB3      ASP  24  19.042   1.489  10.460
  159    H    TRP  25           H        TRP  25  17.479   2.144   9.109
  160    HA   TRP  25           HA       TRP  25  17.557   5.056   8.838
  161    HB2  TRP  25           HB2      TRP  25  18.425   2.763   7.169
  162    HB3  TRP  25           HB3      TRP  25  17.843   4.183   6.306
  163    HD1  TRP  25           HD1      TRP  25  20.315   3.598   9.259
  164    HE1  TRP  25           HE1      TRP  25  22.372   5.093   8.863
  165    HE3  TRP  25           HE3      TRP  25  18.861   5.841   4.900
  166    HZ2  TRP  25           HZ2      TRP  25  23.261   6.975   6.955
  167    HZ3  TRP  25           HZ3      TRP  25  20.373   7.477   3.855
  168    HH2  TRP  25           HH2      TRP  25  22.526   8.031   4.863
  169    H    LYS  26           H        LYS  26  15.341   2.541   8.741
  170    HA   LYS  26           HA       LYS  26  13.147   2.413   8.154
  171    HB2  LYS  26           HB2      LYS  26  13.276   5.364   7.542
  172    HB3  LYS  26           HB3      LYS  26  11.866   4.420   8.005
  173    HG2  LYS  26           HG2      LYS  26  13.038   4.011  10.213
  174    HG3  LYS  26           HG3      LYS  26  14.181   5.262   9.720
  175    HD2  LYS  26           HD2      LYS  26  12.612   6.939   9.860
  176    HD3  LYS  26           HD3      LYS  26  11.259   5.841   9.581
  177    HE2  LYS  26           HE2      LYS  26  12.859   5.473  12.055
  178    HE3  LYS  26           HE3      LYS  26  11.783   6.867  11.974
  179    HZ1  LYS  26           HZ1      LYS  26  10.051   5.562  12.350
  180    HZ2  LYS  26           HZ2      LYS  26  11.103   4.261  12.593
  181    HZ3  LYS  26           HZ3      LYS  26  10.451   4.545  11.058
  182    H    TYR  27           H        TYR  27  14.797   1.555   6.238
  183    HA   TYR  27           HA       TYR  27  13.325   2.184   3.821
  184    HB2  TYR  27           HB2      TYR  27  15.128   2.886   2.501
  185    HB3  TYR  27           HB3      TYR  27  15.364   3.754   4.014
  186    HD1  TYR  27           HD2      TYR  27  16.711   2.032   5.782
  187    HD2  TYR  27           HD1      TYR  27  17.127   2.257   1.554
  188    HE1  TYR  27           HE2      TYR  27  18.982   1.106   5.963
  189    HE2  TYR  27           HE1      TYR  27  19.399   1.330   1.723
  190    HH   TYR  27           HH       TYR  27  21.225   1.358   4.095
  191    H    CYS  28           H        CYS  28  13.452   0.569   2.237
  192    HA   CYS  28           HA       CYS  28  13.723  -2.048   3.140
  193    HB2  CYS  28           HB2      CYS  28  13.589  -0.815   0.407
  194    HB3  CYS  28           HB3      CYS  28  13.869  -2.544   0.581
  195    H    ALA  29           H        ALA  29  15.230  -3.714   2.479
  196    HA   ALA  29           HA       ALA  29  17.886  -2.782   1.683
  197    HB1  ALA  29           HB1      ALA  29  18.116  -2.708   4.030
  198    HB2  ALA  29           HB2      ALA  29  17.271  -4.243   4.237
  199    HB3  ALA  29           HB3      ALA  29  18.881  -4.213   3.518
  200    H    TRP  30           H        TRP  30  19.094  -4.279   0.574
  201    HA   TRP  30           HA       TRP  30  17.656  -6.484  -0.560
  202    HB2  TRP  30           HB2      TRP  30  20.243  -5.134  -1.023
  203    HB3  TRP  30           HB3      TRP  30  20.201  -6.845  -1.437
  204    HD1  TRP  30           HD1      TRP  30  19.969  -3.834  -3.208
  205    HE1  TRP  30           HE1      TRP  30  18.392  -3.951  -5.238
  206    HE3  TRP  30           HE3      TRP  30  17.361  -8.052  -1.967
  207    HZ2  TRP  30           HZ2      TRP  30  16.316  -5.611  -6.188
  208    HZ3  TRP  30           HZ3      TRP  30  15.595  -8.837  -3.490
  209    HH2  TRP  30           HH2      TRP  30  15.085  -7.641  -5.556
  210    H    ASP  31           H        ASP  31  18.693  -8.680  -0.711
  211    HA   ASP  31           HA       ASP  31  19.229 -10.625   0.348
  212    HB2  ASP  31           HB2      ASP  31  21.471  -9.354   0.200
  213    HB3  ASP  31           HB3      ASP  31  21.262  -9.064   1.924
  214    H    GLY  32           H        GLY  32  17.199  -8.896   1.576
  215    HA2  GLY  32           HA2      GLY  32  15.932  -8.798   3.488
  216    HA3  GLY  32           HA3      GLY  32  16.632 -10.365   3.867
  217    H    THR  33           H        THR  33  16.450  -9.621   6.099
  218    HA   THR  33           HA       THR  33  17.801  -7.408   7.139
  219    HB   THR  33           HB       THR  33  17.819  -8.710   9.307
  220    HG1  THR  33           HG1      THR  33  17.816 -10.814   8.821
  221   HG21  THR  33          HG21      THR  33  15.651  -8.150   9.694
  222   HG22  THR  33          HG22      THR  33  15.068  -8.968   8.244
  223   HG23  THR  33          HG23      THR  33  15.819  -7.377   8.119
  224    H    PHE  34           H        PHE  34  19.852  -7.046   7.834
  225    HA   PHE  34           HA       PHE  34  21.854  -9.040   7.060
  226    HB2  PHE  34           HB2      PHE  34  21.973  -6.068   7.527
  227    HB3  PHE  34           HB3      PHE  34  23.437  -7.044   7.454
  228    HD1  PHE  34           HD2      PHE  34  23.723  -8.524   5.349
  229    HD2  PHE  34           HD1      PHE  34  21.069  -5.205   5.588
  230    HE1  PHE  34           HE2      PHE  34  23.706  -8.364   2.894
  231    HE2  PHE  34           HE1      PHE  34  21.047  -5.041   3.133
  232    HZ   PHE  34           HZ       PHE  34  22.368  -6.621   1.783
  233    H    SER  35           H        SER  35  23.541  -9.647   8.457
  234    HA   SER  35           HA       SER  35  22.803  -9.520  11.283
  235    HB2  SER  35           HB2      SER  35  23.295 -11.721  10.132
  236    HB3  SER  35           HB3      SER  35  24.977 -11.203  10.024
  237    HG   SER  35           HG       SER  35  24.815 -12.360  11.888
  Start of MODEL    9
    1    H1   GLU   1           H        GLU   1   0.559  -1.408  -2.444
    2    HA   GLU   1           HA       GLU   1   2.228   0.801  -2.737
    3    HB2  GLU   1           HB2      GLU   1   0.302   0.315  -1.041
    4    HB3  GLU   1           HB3      GLU   1   1.596  -0.305  -0.024
    5    HG2  GLU   1           HG2      GLU   1   2.737   1.874  -0.205
    6    HG3  GLU   1           HG3      GLU   1   1.369   2.482  -1.135
    7    H    CYS   2           H        CYS   2   3.749  -1.453  -3.434
    8    HA   CYS   2           HA       CYS   2   5.696  -1.734  -1.262
    9    HB2  CYS   2           HB2      CYS   2   5.655  -3.203  -3.901
   10    HB3  CYS   2           HB3      CYS   2   6.577  -3.618  -2.459
   11    H    ARG   3           H        ARG   3   7.903  -1.304  -1.573
   12    HA   ARG   3           HA       ARG   3   8.579   0.269  -3.963
   13    HB2  ARG   3           HB2      ARG   3   9.540   1.001  -1.202
   14    HB3  ARG   3           HB3      ARG   3   9.666   1.946  -2.679
   15    HG2  ARG   3           HG2      ARG   3   6.930   1.481  -2.296
   16    HG3  ARG   3           HG3      ARG   3   7.584   1.913  -0.715
   17    HD2  ARG   3           HD2      ARG   3   8.578   3.926  -1.665
   18    HD3  ARG   3           HD3      ARG   3   7.970   3.485  -3.260
   19    HE   ARG   3           HE       ARG   3   5.933   3.715  -1.235
   20   HH11  ARG   3          HH11      ARG   3   7.793   5.386  -3.658
   21   HH12  ARG   3          HH12      ARG   3   6.631   6.655  -3.862
   22   HH21  ARG   3          HH21      ARG   3   4.396   5.380  -1.495
   23   HH22  ARG   3          HH22      ARG   3   4.700   6.651  -2.630
   24    H    TYR   4           H        TYR   4  11.059   0.662  -3.990
   25    HA   TYR   4           HA       TYR   4  12.303  -1.957  -3.662
   26    HB2  TYR   4           HB2      TYR   4  14.200  -0.636  -4.945
   27    HB3  TYR   4           HB3      TYR   4  12.788  -1.251  -5.797
   28    HD1  TYR   4           HD2      TYR   4  14.272   1.793  -4.296
   29    HD2  TYR   4           HD1      TYR   4  11.295   0.217  -6.896
   30    HE1  TYR   4           HE2      TYR   4  13.770   4.066  -5.091
   31    HE2  TYR   4           HE1      TYR   4  10.786   2.485  -7.698
   32    HH   TYR   4           HH       TYR   4  11.607   4.637  -7.780
   33    H    LEU   5           H        LEU   5  14.900  -1.511  -3.365
   34    HA   LEU   5           HA       LEU   5  15.295  -1.117  -0.666
   35    HB2  LEU   5           HB2      LEU   5  16.853  -2.099  -2.473
   36    HB3  LEU   5           HB3      LEU   5  17.424  -0.443  -2.665
   37    HG   LEU   5           HG       LEU   5  17.493  -1.909  -0.035
   38   HD11  LEU   5          HD11      LEU   5  20.040  -1.932  -0.713
   39   HD12  LEU   5          HD12      LEU   5  19.367  -1.972  -2.342
   40   HD13  LEU   5          HD13      LEU   5  18.951  -3.237  -1.185
   41   HD21  LEU   5          HD21      LEU   5  19.329  -0.174   0.329
   42   HD22  LEU   5          HD22      LEU   5  17.661   0.398   0.342
   43   HD23  LEU   5          HD23      LEU   5  18.668   0.647  -1.085
   44    H    PHE   6           H        PHE   6  15.813   1.221  -3.295
   45    HA   PHE   6           HA       PHE   6  16.487   3.340  -1.476
   46    HB2  PHE   6           HB2      PHE   6  15.816   3.445  -4.425
   47    HB3  PHE   6           HB3      PHE   6  16.515   4.759  -3.485
   48    HD1  PHE   6           HD2      PHE   6  18.681   3.874  -2.067
   49    HD2  PHE   6           HD1      PHE   6  17.284   2.353  -5.789
   50    HE1  PHE   6           HE2      PHE   6  20.938   3.030  -2.566
   51    HE2  PHE   6           HE1      PHE   6  19.538   1.506  -6.294
   52    HZ   PHE   6           HZ       PHE   6  21.369   1.843  -4.681
   53    H    GLY   7           H        GLY   7  13.613   1.901  -2.332
   54    HA2  GLY   7           HA2      GLY   7  11.793   3.934  -2.748
   55    HA3  GLY   7           HA3      GLY   7  11.428   2.449  -1.880
   56    H    GLY   8           H        GLY   8  12.236   2.441   0.459
   57    HA2  GLY   8           HA2      GLY   8  12.723   3.717   2.434
   58    HA3  GLY   8           HA3      GLY   8  12.036   5.128   1.644
   59    H    CYS   9           H        CYS   9  11.473   2.590   3.793
   60    HA   CYS   9           HA       CYS   9   8.637   3.335   3.948
   61    HB2  CYS   9           HB2      CYS   9   8.206   0.878   4.555
   62    HB3  CYS   9           HB3      CYS   9   8.476   1.257   2.857
   63    H    SER  10           H        SER  10   7.732   2.148   6.067
   64    HA   SER  10           HA       SER  10   9.604   2.882   8.217
   65    HB2  SER  10           HB2      SER  10   7.747   3.535   9.548
   66    HB3  SER  10           HB3      SER  10   7.433   4.196   7.943
   67    HG   SER  10           HG       SER  10   5.583   3.177   8.754
   68    H    SER  11           H        SER  11   7.659   0.361   6.896
   69    HA   SER  11           HA       SER  11   8.536  -1.417   9.067
   70    HB2  SER  11           HB2      SER  11   6.102  -0.792   9.301
   71    HB3  SER  11           HB3      SER  11   5.815  -1.601   7.760
   72    HG   SER  11           HG       SER  11   6.807  -2.760  10.153
   73    H    THR  12           H        THR  12   8.459  -3.735   8.434
   74    HA   THR  12           HA       THR  12   9.774  -4.106   5.938
   75    HB   THR  12           HB       THR  12   9.769  -6.505   6.501
   76    HG1  THR  12           HG1      THR  12   8.860  -6.919   8.726
   77   HG21  THR  12          HG21      THR  12  10.632  -4.450   8.481
   78   HG22  THR  12          HG22      THR  12  11.604  -5.527   7.479
   79   HG23  THR  12          HG23      THR  12  10.785  -6.153   8.909
   80    H    SER  13           H        SER  13   6.487  -4.268   6.960
   81    HA   SER  13           HA       SER  13   5.407  -6.068   5.128
   82    HB2  SER  13           HB2      SER  13   4.317  -4.722   7.115
   83    HB3  SER  13           HB3      SER  13   3.898  -3.580   5.838
   84    HG   SER  13           HG       SER  13   3.157  -6.302   6.067
   85    H    ASP  14           H        ASP  14   6.652  -2.885   4.667
   86    HA   ASP  14           HA       ASP  14   5.294  -2.315   2.219
   87    HB2  ASP  14           HB2      ASP  14   7.550  -1.104   3.749
   88    HB3  ASP  14           HB3      ASP  14   7.387  -0.684   2.046
   89    H    CYS  15           H        CYS  15   8.428  -3.704   3.066
   90    HA   CYS  15           HA       CYS  15   9.469  -3.818   0.444
   91    HB2  CYS  15           HB2      CYS  15  10.095  -5.472   2.897
   92    HB3  CYS  15           HB3      CYS  15  11.025  -5.533   1.403
   93    H    CYS  16           H        CYS  16   8.637  -4.912  -1.198
   94    HA   CYS  16           HA       CYS  16   7.412  -7.539  -0.661
   95    HB2  CYS  16           HB2      CYS  16   6.717  -5.569  -2.850
   96    HB3  CYS  16           HB3      CYS  16   5.978  -7.152  -2.624
   97    H    LYS  17           H        LYS  17   9.911  -5.882  -2.200
   98    HA   LYS  17           HA       LYS  17  10.287  -7.910  -4.268
   99    HB2  LYS  17           HB2      LYS  17  11.885  -5.412  -3.679
  100    HB3  LYS  17           HB3      LYS  17  12.106  -6.468  -5.067
  101    HG2  LYS  17           HG2      LYS  17   9.452  -5.194  -4.565
  102    HG3  LYS  17           HG3      LYS  17  10.755  -4.274  -5.321
  103    HD2  LYS  17           HD2      LYS  17  10.938  -6.348  -6.888
  104    HD3  LYS  17           HD3      LYS  17   9.297  -6.683  -6.331
  105    HE2  LYS  17           HE2      LYS  17   8.452  -4.723  -7.264
  106    HE3  LYS  17           HE3      LYS  17  10.043  -3.971  -7.362
  107    HZ1  LYS  17           HZ1      LYS  17  10.233  -6.215  -8.918
  108    HZ2  LYS  17           HZ2      LYS  17  10.065  -4.625  -9.469
  109    HZ3  LYS  17           HZ3      LYS  17   8.697  -5.601  -9.274
  110    H    HIS  18           H        HIS  18  10.529  -8.789  -1.594
  111    HA   HIS  18           HA       HIS  18  11.876 -10.093  -0.305
  112    HB2  HIS  18           HB2      HIS  18  13.899  -9.948  -2.542
  113    HB3  HIS  18           HB3      HIS  18  13.732 -11.208  -1.323
  114    HD1  HIS  18           HD1      HIS  18  13.104 -10.723  -4.735
  115    HD2  HIS  18           HD2      HIS  18  10.894 -12.383  -1.633
  116    HE1  HIS  18           HE1      HIS  18  11.390 -12.193  -5.842
  117    H    LEU  19           H        LEU  19  11.953  -7.311   0.087
  118    HA   LEU  19           HA       LEU  19  14.768  -6.857   0.823
  119    HB2  LEU  19           HB2      LEU  19  12.551  -4.885   0.301
  120    HB3  LEU  19           HB3      LEU  19  14.146  -4.450   0.912
  121    HG   LEU  19           HG       LEU  19  14.070  -5.958  -1.633
  122   HD11  LEU  19          HD11      LEU  19  12.186  -4.196  -1.646
  123   HD12  LEU  19          HD12      LEU  19  13.334  -4.223  -2.983
  124   HD13  LEU  19          HD13      LEU  19  13.500  -3.021  -1.703
  125   HD21  LEU  19          HD21      LEU  19  15.682  -3.795  -1.948
  126   HD22  LEU  19          HD22      LEU  19  16.207  -5.353  -1.310
  127   HD23  LEU  19          HD23      LEU  19  15.777  -4.046  -0.205
  128    H    SER  20           H        SER  20  15.078  -5.548   2.822
  129    HA   SER  20           HA       SER  20  13.035  -6.209   4.841
  130    HB2  SER  20           HB2      SER  20  16.010  -6.528   4.897
  131    HB3  SER  20           HB3      SER  20  15.160  -6.187   6.403
  132    HG   SER  20           HG       SER  20  14.218  -8.223   4.718
  133    H    CYS  21           H        CYS  21  12.084  -4.410   5.510
  134    HA   CYS  21           HA       CYS  21  13.339  -1.837   5.279
  135    HB2  CYS  21           HB2      CYS  21  10.780  -2.565   5.159
  136    HB3  CYS  21           HB3      CYS  21  10.852  -2.205   6.881
  137    H    ARG  22           H        ARG  22  14.930  -1.338   6.649
  138    HA   ARG  22           HA       ARG  22  14.945  -2.314   9.369
  139    HB2  ARG  22           HB2      ARG  22  16.832  -0.518   7.841
  140    HB3  ARG  22           HB3      ARG  22  17.081  -0.994   9.515
  141    HG2  ARG  22           HG2      ARG  22  16.966  -3.395   8.681
  142    HG3  ARG  22           HG3      ARG  22  17.125  -2.715   7.060
  143    HD2  ARG  22           HD2      ARG  22  19.301  -3.358   7.874
  144    HD3  ARG  22           HD3      ARG  22  19.211  -1.600   7.771
  145    HE   ARG  22           HE       ARG  22  19.451  -1.486  10.048
  146   HH11  ARG  22          HH11      ARG  22  18.687  -4.756   9.133
  147   HH12  ARG  22          HH12      ARG  22  18.979  -5.405  10.712
  148   HH21  ARG  22          HH21      ARG  22  19.840  -2.328  12.132
  149   HH22  ARG  22          HH22      ARG  22  19.634  -4.023  12.418
  150    H    SER  23           H        SER  23  14.526  -1.180  11.196
  151    HA   SER  23           HA       SER  23  12.988   1.226  10.946
  152    HB2  SER  23           HB2      SER  23  12.318   0.832  13.097
  153    HB3  SER  23           HB3      SER  23  12.921  -0.784  12.728
  154    HG   SER  23           HG       SER  23  14.708  -0.405  13.898
  155    H    ASP  24           H        ASP  24  16.249   0.657  10.992
  156    HA   ASP  24           HA       ASP  24  17.105   2.847  12.632
  157    HB2  ASP  24           HB2      ASP  24  18.487   1.021  10.680
  158    HB3  ASP  24           HB3      ASP  24  19.321   2.409  11.375
  159    H    TRP  25           H        TRP  25  17.264   2.289   9.110
  160    HA   TRP  25           HA       TRP  25  17.432   5.192   8.723
  161    HB2  TRP  25           HB2      TRP  25  18.313   2.821   7.154
  162    HB3  TRP  25           HB3      TRP  25  17.839   4.258   6.252
  163    HD1  TRP  25           HD1      TRP  25  20.134   3.579   9.325
  164    HE1  TRP  25           HE1      TRP  25  22.270   4.984   9.030
  165    HE3  TRP  25           HE3      TRP  25  18.991   5.876   4.903
  166    HZ2  TRP  25           HZ2      TRP  25  23.330   6.824   7.170
  167    HZ3  TRP  25           HZ3      TRP  25  20.619   7.445   3.934
  168    HH2  TRP  25           HH2      TRP  25  22.743   7.908   5.046
  169    H    LYS  26           H        LYS  26  15.230   2.639   8.571
  170    HA   LYS  26           HA       LYS  26  13.065   2.489   7.890
  171    HB2  LYS  26           HB2      LYS  26  13.183   5.434   7.256
  172    HB3  LYS  26           HB3      LYS  26  11.772   4.477   7.687
  173    HG2  LYS  26           HG2      LYS  26  12.690   4.173   9.945
  174    HG3  LYS  26           HG3      LYS  26  14.066   5.185   9.505
  175    HD2  LYS  26           HD2      LYS  26  12.534   7.052   9.058
  176    HD3  LYS  26           HD3      LYS  26  11.169   6.036   9.528
  177    HE2  LYS  26           HE2      LYS  26  12.011   5.858  11.775
  178    HE3  LYS  26           HE3      LYS  26  13.492   6.705  11.330
  179    HZ1  LYS  26           HZ1      LYS  26  12.502   8.677  11.531
  180    HZ2  LYS  26           HZ2      LYS  26  11.285   7.862  12.377
  181    HZ3  LYS  26           HZ3      LYS  26  11.099   8.180  10.726
  182    H    TYR  27           H        TYR  27  14.772   1.608   6.058
  183    HA   TYR  27           HA       TYR  27  13.421   2.236   3.571
  184    HB2  TYR  27           HB2      TYR  27  15.292   2.908   2.330
  185    HB3  TYR  27           HB3      TYR  27  15.460   3.790   3.844
  186    HD1  TYR  27           HD2      TYR  27  16.716   2.102   5.696
  187    HD2  TYR  27           HD1      TYR  27  17.321   2.230   1.487
  188    HE1  TYR  27           HE2      TYR  27  18.969   1.164   5.998
  189    HE2  TYR  27           HE1      TYR  27  19.575   1.291   1.776
  190    HH   TYR  27           HH       TYR  27  20.869   0.058   3.338
  191    H    CYS  28           H        CYS  28  13.386   0.542   2.153
  192    HA   CYS  28           HA       CYS  28  13.726  -2.041   3.079
  193    HB2  CYS  28           HB2      CYS  28  13.421  -0.830   0.367
  194    HB3  CYS  28           HB3      CYS  28  13.869  -2.529   0.475
  195    H    ALA  29           H        ALA  29  15.262  -3.666   2.694
  196    HA   ALA  29           HA       ALA  29  17.887  -2.762   1.726
  197    HB1  ALA  29           HB1      ALA  29  17.871  -2.708   4.190
  198    HB2  ALA  29           HB2      ALA  29  17.465  -4.424   4.207
  199    HB3  ALA  29           HB3      ALA  29  19.011  -3.890   3.546
  200    H    TRP  30           H        TRP  30  19.060  -4.250   0.587
  201    HA   TRP  30           HA       TRP  30  17.621  -6.490  -0.473
  202    HB2  TRP  30           HB2      TRP  30  20.171  -5.109  -1.034
  203    HB3  TRP  30           HB3      TRP  30  20.144  -6.827  -1.422
  204    HD1  TRP  30           HD1      TRP  30  19.816  -3.849  -3.231
  205    HE1  TRP  30           HE1      TRP  30  18.178  -4.019  -5.209
  206    HE3  TRP  30           HE3      TRP  30  17.302  -8.080  -1.843
  207    HZ2  TRP  30           HZ2      TRP  30  16.095  -5.721  -6.068
  208    HZ3  TRP  30           HZ3      TRP  30  15.501  -8.912  -3.298
  209    HH2  TRP  30           HH2      TRP  30  14.911  -7.755  -5.366
  210    H    ASP  31           H        ASP  31  18.686  -8.673  -0.628
  211    HA   ASP  31           HA       ASP  31  19.290 -10.596   0.433
  212    HB2  ASP  31           HB2      ASP  31  21.332  -8.902   1.874
  213    HB3  ASP  31           HB3      ASP  31  21.437 -10.615   1.477
  214    H    GLY  32           H        GLY  32  17.249  -8.908   1.686
  215    HA2  GLY  32           HA2      GLY  32  16.046  -8.774   3.639
  216    HA3  GLY  32           HA3      GLY  32  16.727 -10.356   3.983
  217    H    THR  33           H        THR  33  17.340 -10.294   6.050
  218    HA   THR  33           HA       THR  33  18.436  -7.905   7.237
  219    HB   THR  33           HB       THR  33  18.479  -9.105   9.307
  220    HG1  THR  33           HG1      THR  33  18.049 -11.439   7.725
  221   HG21  THR  33          HG21      THR  33  16.222  -8.516   8.132
  222   HG22  THR  33          HG22      THR  33  16.216  -9.501   9.595
  223   HG23  THR  33          HG23      THR  33  16.043 -10.266   8.016
  224    H    PHE  34           H        PHE  34  20.526  -7.526   7.842
  225    HA   PHE  34           HA       PHE  34  22.547  -9.159   6.541
  226    HB2  PHE  34           HB2      PHE  34  22.668  -6.496   7.961
  227    HB3  PHE  34           HB3      PHE  34  24.091  -7.314   7.326
  228    HD1  PHE  34           HD2      PHE  34  24.053  -7.921   4.819
  229    HD2  PHE  34           HD1      PHE  34  21.452  -5.068   6.610
  230    HE1  PHE  34           HE2      PHE  34  23.653  -6.907   2.614
  231    HE2  PHE  34           HE1      PHE  34  21.047  -4.050   4.408
  232    HZ   PHE  34           HZ       PHE  34  22.148  -4.968   2.406
  233    H    SER  35           H        SER  35  23.234 -10.890   7.617
  234    HA   SER  35           HA       SER  35  23.029 -11.295  10.380
  235    HB2  SER  35           HB2      SER  35  24.470 -13.238  10.035
  236    HB3  SER  35           HB3      SER  35  23.289 -13.123   8.731
  237    HG   SER  35           HG       SER  35  25.204 -11.810   7.759
  Start of MODEL   10
    1    H1   GLU   1           H        GLU   1   0.454  -0.073   0.131
    2    HA   GLU   1           HA       GLU   1   1.596  -0.824  -2.096
    3    HB2  GLU   1           HB2      GLU   1   2.816   1.298  -2.274
    4    HB3  GLU   1           HB3      GLU   1   1.212   1.531  -1.594
    5    HG2  GLU   1           HG2      GLU   1   2.213   1.603   0.659
    6    HG3  GLU   1           HG3      GLU   1   3.810   1.472  -0.077
    7    H    CYS   2           H        CYS   2   3.809  -0.858  -2.984
    8    HA   CYS   2           HA       CYS   2   5.808  -1.803  -1.046
    9    HB2  CYS   2           HB2      CYS   2   5.382  -3.078  -3.750
   10    HB3  CYS   2           HB3      CYS   2   6.421  -3.644  -2.446
   11    H    ARG   3           H        ARG   3   7.910  -1.242  -1.460
   12    HA   ARG   3           HA       ARG   3   8.451   0.265  -3.925
   13    HB2  ARG   3           HB2      ARG   3   9.442   1.123  -1.206
   14    HB3  ARG   3           HB3      ARG   3   9.592   1.996  -2.725
   15    HG2  ARG   3           HG2      ARG   3   6.843   1.544  -2.320
   16    HG3  ARG   3           HG3      ARG   3   7.507   2.105  -0.784
   17    HD2  ARG   3           HD2      ARG   3   8.503   4.029  -1.915
   18    HD3  ARG   3           HD3      ARG   3   7.853   3.464  -3.454
   19    HE   ARG   3           HE       ARG   3   5.838   3.832  -1.449
   20   HH11  ARG   3          HH11      ARG   3   7.755   5.426  -3.880
   21   HH12  ARG   3          HH12      ARG   3   6.619   6.712  -4.118
   22   HH21  ARG   3          HH21      ARG   3   4.335   5.520  -1.754
   23   HH22  ARG   3          HH22      ARG   3   4.675   6.766  -2.908
   24    H    TYR   4           H        TYR   4  10.912   0.708  -4.076
   25    HA   TYR   4           HA       TYR   4  12.222  -1.866  -3.793
   26    HB2  TYR   4           HB2      TYR   4  14.106  -0.466  -4.995
   27    HB3  TYR   4           HB3      TYR   4  12.698  -1.030  -5.887
   28    HD1  TYR   4           HD2      TYR   4  14.238   1.913  -4.272
   29    HD2  TYR   4           HD1      TYR   4  11.141   0.506  -6.828
   30    HE1  TYR   4           HE2      TYR   4  13.738   4.229  -4.932
   31    HE2  TYR   4           HE1      TYR   4  10.633   2.818  -7.495
   32    HH   TYR   4           HH       TYR   4  12.573   5.288  -7.192
   33    H    LEU   5           H        LEU   5  14.801  -1.420  -3.440
   34    HA   LEU   5           HA       LEU   5  15.156  -1.131  -0.717
   35    HB2  LEU   5           HB2      LEU   5  16.748  -2.136  -2.386
   36    HB3  LEU   5           HB3      LEU   5  17.251  -0.494  -2.783
   37    HG   LEU   5           HG       LEU   5  17.427  -1.479   0.038
   38   HD11  LEU   5          HD11      LEU   5  18.531  -3.197  -1.264
   39   HD12  LEU   5          HD12      LEU   5  19.726  -2.216  -0.416
   40   HD13  LEU   5          HD13      LEU   5  19.451  -1.974  -2.141
   41   HD21  LEU   5          HD21      LEU   5  18.783   0.618  -1.631
   42   HD22  LEU   5          HD22      LEU   5  19.433   0.086  -0.080
   43   HD23  LEU   5          HD23      LEU   5  17.833   0.826  -0.160
   44    H    PHE   6           H        PHE   6  15.743   1.288  -3.257
   45    HA   PHE   6           HA       PHE   6  16.391   3.340  -1.352
   46    HB2  PHE   6           HB2      PHE   6  15.737   3.662  -4.286
   47    HB3  PHE   6           HB3      PHE   6  16.604   4.801  -3.262
   48    HD1  PHE   6           HD2      PHE   6  18.851   4.106  -2.331
   49    HD2  PHE   6           HD1      PHE   6  16.869   1.980  -5.440
   50    HE1  PHE   6           HE2      PHE   6  20.984   3.057  -2.969
   51    HE2  PHE   6           HE1      PHE   6  18.998   0.927  -6.082
   52    HZ   PHE   6           HZ       PHE   6  21.059   1.464  -4.846
   53    H    GLY   7           H        GLY   7  13.538   1.933  -2.209
   54    HA2  GLY   7           HA2      GLY   7  11.751   4.032  -2.625
   55    HA3  GLY   7           HA3      GLY   7  11.340   2.498  -1.872
   56    H    GLY   8           H        GLY   8  12.068   2.321   0.486
   57    HA2  GLY   8           HA2      GLY   8  12.543   3.505   2.541
   58    HA3  GLY   8           HA3      GLY   8  11.798   4.930   1.833
   59    H    CYS   9           H        CYS   9  11.342   2.924   4.229
   60    HA   CYS   9           HA       CYS   9   8.484   3.309   4.256
   61    HB2  CYS   9           HB2      CYS   9   8.131   0.820   4.808
   62    HB3  CYS   9           HB3      CYS   9   8.356   1.260   3.118
   63    H    SER  10           H        SER  10   7.623   2.041   6.347
   64    HA   SER  10           HA       SER  10   9.499   2.745   8.506
   65    HB2  SER  10           HB2      SER  10   7.307   2.886   9.876
   66    HB3  SER  10           HB3      SER  10   7.660   4.186   8.737
   67    HG   SER  10           HG       SER  10   5.638   3.667   8.216
   68    H    SER  11           H        SER  11   7.556   0.252   7.130
   69    HA   SER  11           HA       SER  11   8.414  -1.567   9.277
   70    HB2  SER  11           HB2      SER  11   5.733  -1.694   7.879
   71    HB3  SER  11           HB3      SER  11   6.291  -2.739   9.185
   72    HG   SER  11           HG       SER  11   5.004  -1.148  10.069
   73    H    THR  12           H        THR  12   8.475  -3.850   8.608
   74    HA   THR  12           HA       THR  12   9.829  -4.134   6.120
   75    HB   THR  12           HB       THR  12   9.972  -6.518   6.664
   76    HG1  THR  12           HG1      THR  12   7.880  -6.732   7.621
   77   HG21  THR  12          HG21      THR  12  10.836  -6.123   9.149
   78   HG22  THR  12          HG22      THR  12  10.648  -4.435   8.673
   79   HG23  THR  12          HG23      THR  12  11.706  -5.500   7.748
   80    H    SER  13           H        SER  13   6.549  -4.533   7.144
   81    HA   SER  13           HA       SER  13   5.611  -6.331   5.220
   82    HB2  SER  13           HB2      SER  13   4.372  -5.413   7.256
   83    HB3  SER  13           HB3      SER  13   4.010  -3.997   6.271
   84    HG   SER  13           HG       SER  13   2.668  -6.225   6.341
   85    H    ASP  14           H        ASP  14   6.628  -3.065   4.926
   86    HA   ASP  14           HA       ASP  14   5.160  -2.401   2.574
   87    HB2  ASP  14           HB2      ASP  14   7.509  -1.215   4.010
   88    HB3  ASP  14           HB3      ASP  14   7.095  -0.644   2.396
   89    H    CYS  15           H        CYS  15   8.366  -3.738   3.200
   90    HA   CYS  15           HA       CYS  15   9.256  -3.660   0.506
   91    HB2  CYS  15           HB2      CYS  15  10.162  -5.408   2.804
   92    HB3  CYS  15           HB3      CYS  15  11.017  -5.218   1.276
   93    H    CYS  16           H        CYS  16   8.442  -4.781  -1.124
   94    HA   CYS  16           HA       CYS  16   7.420  -7.495  -0.595
   95    HB2  CYS  16           HB2      CYS  16   6.446  -5.617  -2.755
   96    HB3  CYS  16           HB3      CYS  16   5.761  -7.179  -2.318
   97    H    LYS  17           H        LYS  17   9.758  -5.684  -2.139
   98    HA   LYS  17           HA       LYS  17  10.087  -7.537  -4.373
   99    HB2  LYS  17           HB2      LYS  17  11.301  -4.887  -3.653
  100    HB3  LYS  17           HB3      LYS  17  12.074  -5.925  -4.844
  101    HG2  LYS  17           HG2      LYS  17   9.190  -5.135  -5.073
  102    HG3  LYS  17           HG3      LYS  17  10.493  -4.120  -5.696
  103    HD2  LYS  17           HD2      LYS  17  11.284  -6.238  -6.918
  104    HD3  LYS  17           HD3      LYS  17   9.680  -6.880  -6.556
  105    HE2  LYS  17           HE2      LYS  17   8.614  -5.216  -7.833
  106    HE3  LYS  17           HE3      LYS  17  10.066  -4.219  -7.898
  107    HZ1  LYS  17           HZ1      LYS  17   9.240  -6.307  -9.644
  108    HZ2  LYS  17           HZ2      LYS  17  10.786  -6.614  -9.029
  109    HZ3  LYS  17           HZ3      LYS  17  10.473  -5.167  -9.847
  110    H    HIS  18           H        HIS  18  10.470  -8.605  -1.784
  111    HA   HIS  18           HA       HIS  18  11.904  -9.964  -0.656
  112    HB2  HIS  18           HB2      HIS  18  13.803  -9.598  -2.977
  113    HB3  HIS  18           HB3      HIS  18  13.755 -10.937  -1.834
  114    HD1  HIS  18           HD1      HIS  18  13.320 -10.841  -5.104
  115    HD2  HIS  18           HD2      HIS  18  10.535 -11.626  -2.123
  116    HE1  HIS  18           HE1      HIS  18  11.495 -12.161  -6.220
  117    H    LEU  19           H        LEU  19  11.933  -7.218  -0.060
  118    HA   LEU  19           HA       LEU  19  14.757  -6.811   0.678
  119    HB2  LEU  19           HB2      LEU  19  12.638  -4.715   0.227
  120    HB3  LEU  19           HB3      LEU  19  14.307  -4.411   0.704
  121    HG   LEU  19           HG       LEU  19  13.952  -5.909  -1.811
  122   HD11  LEU  19          HD11      LEU  19  13.182  -4.156  -3.127
  123   HD12  LEU  19          HD12      LEU  19  13.461  -2.955  -1.866
  124   HD13  LEU  19          HD13      LEU  19  12.126  -4.097  -1.715
  125   HD21  LEU  19          HD21      LEU  19  16.110  -5.055  -0.758
  126   HD22  LEU  19          HD22      LEU  19  15.586  -3.448  -1.261
  127   HD23  LEU  19          HD23      LEU  19  15.857  -4.706  -2.468
  128    H    SER  20           H        SER  20  15.047  -5.521   2.696
  129    HA   SER  20           HA       SER  20  12.931  -6.144   4.652
  130    HB2  SER  20           HB2      SER  20  15.899  -6.532   4.797
  131    HB3  SER  20           HB3      SER  20  14.998  -6.206   6.278
  132    HG   SER  20           HG       SER  20  14.039  -8.175   4.537
  133    H    CYS  21           H        CYS  21  12.072  -4.398   5.537
  134    HA   CYS  21           HA       CYS  21  13.288  -1.813   5.232
  135    HB2  CYS  21           HB2      CYS  21  10.733  -2.550   5.305
  136    HB3  CYS  21           HB3      CYS  21  10.939  -2.223   7.023
  137    H    ARG  22           H        ARG  22  15.095  -1.560   6.445
  138    HA   ARG  22           HA       ARG  22  15.301  -2.499   9.141
  139    HB2  ARG  22           HB2      ARG  22  17.034  -0.697   7.452
  140    HB3  ARG  22           HB3      ARG  22  17.424  -1.099   9.119
  141    HG2  ARG  22           HG2      ARG  22  17.109  -3.565   8.215
  142    HG3  ARG  22           HG3      ARG  22  17.517  -2.787   6.685
  143    HD2  ARG  22           HD2      ARG  22  19.562  -3.532   7.597
  144    HD3  ARG  22           HD3      ARG  22  19.514  -1.792   7.877
  145    HE   ARG  22           HE       ARG  22  19.455  -2.187  10.135
  146   HH11  ARG  22          HH11      ARG  22  18.781  -5.145   8.427
  147   HH12  ARG  22          HH12      ARG  22  18.861  -6.135   9.847
  148   HH21  ARG  22          HH21      ARG  22  19.563  -3.480  12.011
  149   HH22  ARG  22          HH22      ARG  22  19.305  -5.187  11.884
  150    H    SER  23           H        SER  23  15.032  -1.418  11.027
  151    HA   SER  23           HA       SER  23  13.468   0.985  10.974
  152    HB2  SER  23           HB2      SER  23  13.804   0.764  13.543
  153    HB3  SER  23           HB3      SER  23  12.854  -0.463  12.706
  154    HG   SER  23           HG       SER  23  14.937  -0.871  14.210
  155    H    ASP  24           H        ASP  24  16.772   0.345  10.927
  156    HA   ASP  24           HA       ASP  24  17.748   2.500  12.491
  157    HB2  ASP  24           HB2      ASP  24  18.995   0.407  11.584
  158    HB3  ASP  24           HB3      ASP  24  19.231   1.376  10.133
  159    H    TRP  25           H        TRP  25  17.582   2.127   8.945
  160    HA   TRP  25           HA       TRP  25  17.704   5.047   8.697
  161    HB2  TRP  25           HB2      TRP  25  18.465   2.770   6.946
  162    HB3  TRP  25           HB3      TRP  25  17.880   4.229   6.150
  163    HD1  TRP  25           HD1      TRP  25  20.474   3.478   8.957
  164    HE1  TRP  25           HE1      TRP  25  22.543   4.947   8.522
  165    HE3  TRP  25           HE3      TRP  25  18.860   5.935   4.774
  166    HZ2  TRP  25           HZ2      TRP  25  23.379   6.890   6.654
  167    HZ3  TRP  25           HZ3      TRP  25  20.355   7.583   3.724
  168    HH2  TRP  25           HH2      TRP  25  22.567   8.049   4.646
  169    H    LYS  26           H        LYS  26  15.485   2.536   8.693
  170    HA   LYS  26           HA       LYS  26  13.265   2.413   8.214
  171    HB2  LYS  26           HB2      LYS  26  13.382   5.370   7.622
  172    HB3  LYS  26           HB3      LYS  26  11.981   4.429   8.119
  173    HG2  LYS  26           HG2      LYS  26  13.240   3.979  10.279
  174    HG3  LYS  26           HG3      LYS  26  14.352   5.251   9.764
  175    HD2  LYS  26           HD2      LYS  26  12.873   6.486  11.003
  176    HD3  LYS  26           HD3      LYS  26  12.111   6.597   9.415
  177    HE2  LYS  26           HE2      LYS  26  11.354   4.299  11.127
  178    HE3  LYS  26           HE3      LYS  26  10.776   5.891  11.618
  179    HZ1  LYS  26           HZ1      LYS  26   9.955   6.121   9.260
  180    HZ2  LYS  26           HZ2      LYS  26   9.127   5.008  10.227
  181    HZ3  LYS  26           HZ3      LYS  26  10.245   4.464   9.080
  182    H    TYR  27           H        TYR  27  14.861   1.596   6.209
  183    HA   TYR  27           HA       TYR  27  13.248   2.197   3.876
  184    HB2  TYR  27           HB2      TYR  27  14.951   2.970   2.472
  185    HB3  TYR  27           HB3      TYR  27  15.262   3.817   3.984
  186    HD1  TYR  27           HD2      TYR  27  16.727   2.038   5.630
  187    HD2  TYR  27           HD1      TYR  27  16.923   2.456   1.401
  188    HE1  TYR  27           HE2      TYR  27  19.023   1.157   5.655
  189    HE2  TYR  27           HE1      TYR  27  19.219   1.574   1.414
  190    HH   TYR  27           HH       TYR  27  20.563  -0.015   4.019
  191    H    CYS  28           H        CYS  28  13.318   0.588   2.291
  192    HA   CYS  28           HA       CYS  28  13.689  -2.021   3.144
  193    HB2  CYS  28           HB2      CYS  28  13.452  -0.766   0.430
  194    HB3  CYS  28           HB3      CYS  28  13.779  -2.490   0.575
  195    H    ALA  29           H        ALA  29  15.216  -3.647   2.479
  196    HA   ALA  29           HA       ALA  29  17.828  -2.664   1.595
  197    HB1  ALA  29           HB1      ALA  29  18.315  -2.597   3.839
  198    HB2  ALA  29           HB2      ALA  29  17.237  -3.939   4.225
  199    HB3  ALA  29           HB3      ALA  29  18.785  -4.250   3.441
  200    H    TRP  30           H        TRP  30  19.045  -4.146   0.469
  201    HA   TRP  30           HA       TRP  30  17.621  -6.372  -0.639
  202    HB2  TRP  30           HB2      TRP  30  20.182  -4.988  -1.143
  203    HB3  TRP  30           HB3      TRP  30  20.156  -6.701  -1.555
  204    HD1  TRP  30           HD1      TRP  30  19.860  -3.696  -3.326
  205    HE1  TRP  30           HE1      TRP  30  18.251  -3.834  -5.330
  206    HE3  TRP  30           HE3      TRP  30  17.321  -7.942  -2.038
  207    HZ2  TRP  30           HZ2      TRP  30  16.180  -5.520  -6.245
  208    HZ3  TRP  30           HZ3      TRP  30  15.540  -8.750  -3.531
  209    HH2  TRP  30           HH2      TRP  30  14.983  -7.563  -5.591
  210    H    ASP  31           H        ASP  31  18.684  -8.554  -0.805
  211    HA   ASP  31           HA       ASP  31  19.267 -10.491   0.242
  212    HB2  ASP  31           HB2      ASP  31  21.296  -8.813   1.721
  213    HB3  ASP  31           HB3      ASP  31  21.400 -10.526   1.323
  214    H    GLY  32           H        GLY  32  17.201  -8.848   1.480
  215    HA2  GLY  32           HA2      GLY  32  15.934  -8.807   3.393
  216    HA3  GLY  32           HA3      GLY  32  16.739 -10.314   3.806
  217    H    THR  33           H        THR  33  17.035  -9.971   5.959
  218    HA   THR  33           HA       THR  33  18.137  -7.493   6.945
  219    HB   THR  33           HB       THR  33  18.272  -8.958   9.125
  220    HG1  THR  33           HG1      THR  33  17.805 -10.969   8.445
  221   HG21  THR  33          HG21      THR  33  16.341  -7.283   7.981
  222   HG22  THR  33          HG22      THR  33  16.488  -7.739   9.678
  223   HG23  THR  33          HG23      THR  33  15.452  -8.674   8.600
  224    H    PHE  34           H        PHE  34  20.020  -7.660   8.544
  225    HA   PHE  34           HA       PHE  34  22.092  -9.467   7.494
  226    HB2  PHE  34           HB2      PHE  34  22.180  -6.498   7.864
  227    HB3  PHE  34           HB3      PHE  34  23.657  -7.434   8.072
  228    HD1  PHE  34           HD2      PHE  34  24.675  -8.588   6.193
  229    HD2  PHE  34           HD1      PHE  34  21.163  -6.234   5.703
  230    HE1  PHE  34           HE2      PHE  34  25.021  -8.584   3.757
  231    HE2  PHE  34           HE1      PHE  34  21.503  -6.228   3.266
  232    HZ   PHE  34           HZ       PHE  34  23.434  -7.405   2.290
  233    H    SER  35           H        SER  35  23.797  -9.987   8.966
  234    HA   SER  35           HA       SER  35  22.974 -10.660  11.524
  235    HB2  SER  35           HB2      SER  35  24.941 -11.624  10.290
  236    HB3  SER  35           HB3      SER  35  25.843 -10.165  10.701
  237    HG   SER  35           HG       SER  35  25.114 -12.308  12.287
  Start of MODEL   11
    1    H1   GLU   1           H        GLU   1   0.159  -1.529  -0.989
    2    HA   GLU   1           HA       GLU   1   2.012  -0.043  -2.371
    3    HB2  GLU   1           HB2      GLU   1   1.505  -0.128   0.606
    4    HB3  GLU   1           HB3      GLU   1   2.465   1.110  -0.191
    5    HG2  GLU   1           HG2      GLU   1   0.595   1.953  -1.353
    6    HG3  GLU   1           HG3      GLU   1  -0.388   0.550  -0.937
    7    H    CYS   2           H        CYS   2   3.875  -0.901  -3.091
    8    HA   CYS   2           HA       CYS   2   5.788  -1.837  -1.069
    9    HB2  CYS   2           HB2      CYS   2   5.496  -3.133  -3.782
   10    HB3  CYS   2           HB3      CYS   2   6.513  -3.662  -2.445
   11    H    ARG   3           H        ARG   3   7.915  -1.282  -1.425
   12    HA   ARG   3           HA       ARG   3   8.497   0.295  -3.838
   13    HB2  ARG   3           HB2      ARG   3   9.486   1.049  -1.089
   14    HB3  ARG   3           HB3      ARG   3   9.612   1.985  -2.573
   15    HG2  ARG   3           HG2      ARG   3   6.869   1.480  -2.140
   16    HG3  ARG   3           HG3      ARG   3   7.558   2.014  -0.605
   17    HD2  ARG   3           HD2      ARG   3   8.536   3.963  -1.753
   18    HD3  ARG   3           HD3      ARG   3   7.779   3.436  -3.256
   19    HE   ARG   3           HE       ARG   3   5.941   3.799  -1.066
   20   HH11  ARG   3          HH11      ARG   3   7.572   5.313  -3.744
   21   HH12  ARG   3          HH12      ARG   3   6.400   6.578  -3.911
   22   HH21  ARG   3          HH21      ARG   3   4.392   5.460  -1.276
   23   HH22  ARG   3          HH22      ARG   3   4.592   6.661  -2.506
   24    H    TYR   4           H        TYR   4  10.963   0.734  -3.941
   25    HA   TYR   4           HA       TYR   4  12.263  -1.858  -3.683
   26    HB2  TYR   4           HB2      TYR   4  14.128  -0.468  -4.931
   27    HB3  TYR   4           HB3      TYR   4  12.713  -1.059  -5.795
   28    HD1  TYR   4           HD2      TYR   4  14.237   1.927  -4.240
   29    HD2  TYR   4           HD1      TYR   4  11.148   0.444  -6.762
   30    HE1  TYR   4           HE2      TYR   4  13.709   4.227  -4.936
   31    HE2  TYR   4           HE1      TYR   4  10.613   2.740  -7.466
   32    HH   TYR   4           HH       TYR   4  12.496   5.213  -7.258
   33    H    LEU   5           H        LEU   5  14.851  -1.394  -3.381
   34    HA   LEU   5           HA       LEU   5  15.254  -1.081  -0.671
   35    HB2  LEU   5           HB2      LEU   5  16.812  -2.010  -2.494
   36    HB3  LEU   5           HB3      LEU   5  17.362  -0.346  -2.674
   37    HG   LEU   5           HG       LEU   5  17.470  -1.816  -0.050
   38   HD11  LEU   5          HD11      LEU   5  19.330  -1.882  -2.374
   39   HD12  LEU   5          HD12      LEU   5  18.888  -3.161  -1.244
   40   HD13  LEU   5          HD13      LEU   5  19.997  -1.887  -0.741
   41   HD21  LEU   5          HD21      LEU   5  17.676   0.472   0.341
   42   HD22  LEU   5          HD22      LEU   5  18.607   0.739  -1.133
   43   HD23  LEU   5          HD23      LEU   5  19.346  -0.085   0.242
   44    H    PHE   6           H        PHE   6  15.753   1.336  -3.232
   45    HA   PHE   6           HA       PHE   6  16.423   3.405  -1.357
   46    HB2  PHE   6           HB2      PHE   6  15.768   3.531  -4.308
   47    HB3  PHE   6           HB3      PHE   6  16.358   4.887  -3.353
   48    HD1  PHE   6           HD2      PHE   6  18.594   4.394  -2.034
   49    HD2  PHE   6           HD1      PHE   6  17.288   2.293  -5.497
   50    HE1  PHE   6           HE2      PHE   6  20.912   3.703  -2.485
   51    HE2  PHE   6           HE1      PHE   6  19.603   1.599  -5.954
   52    HZ   PHE   6           HZ       PHE   6  21.419   2.303  -4.446
   53    H    GLY   7           H        GLY   7  13.551   1.974  -2.238
   54    HA2  GLY   7           HA2      GLY   7  11.718   4.014  -2.573
   55    HA3  GLY   7           HA3      GLY   7  11.365   2.496  -1.761
   56    H    GLY   8           H        GLY   8  12.182   2.402   0.572
   57    HA2  GLY   8           HA2      GLY   8  12.684   3.619   2.587
   58    HA3  GLY   8           HA3      GLY   8  11.958   5.043   1.858
   59    H    CYS   9           H        CYS   9  11.494   2.553   4.022
   60    HA   CYS   9           HA       CYS   9   8.642   3.189   4.204
   61    HB2  CYS   9           HB2      CYS   9   8.254   0.709   4.736
   62    HB3  CYS   9           HB3      CYS   9   8.498   1.144   3.047
   63    H    SER  10           H        SER  10   7.792   1.916   6.298
   64    HA   SER  10           HA       SER  10   9.704   2.581   8.439
   65    HB2  SER  10           HB2      SER  10   7.561   3.943   8.252
   66    HB3  SER  10           HB3      SER  10   6.698   2.479   8.724
   67    HG   SER  10           HG       SER  10   7.232   2.887  10.703
   68    H    SER  11           H        SER  11   7.706   0.131   7.069
   69    HA   SER  11           HA       SER  11   8.553  -1.715   9.197
   70    HB2  SER  11           HB2      SER  11   5.910  -2.093   7.829
   71    HB3  SER  11           HB3      SER  11   6.445  -2.684   9.402
   72    HG   SER  11           HG       SER  11   5.551  -0.119   8.673
   73    H    THR  12           H        THR  12   8.529  -4.003   8.510
   74    HA   THR  12           HA       THR  12   9.862  -4.304   6.012
   75    HB   THR  12           HB       THR  12   9.796  -6.752   6.536
   76    HG1  THR  12           HG1      THR  12   8.323  -7.368   7.914
   77   HG21  THR  12          HG21      THR  12  10.826  -4.745   8.514
   78   HG22  THR  12          HG22      THR  12  11.718  -5.689   7.321
   79   HG23  THR  12          HG23      THR  12  11.078  -6.472   8.765
   80    H    SER  13           H        SER  13   6.574  -4.611   7.048
   81    HA   SER  13           HA       SER  13   5.560  -6.361   5.126
   82    HB2  SER  13           HB2      SER  13   4.338  -5.434   7.138
   83    HB3  SER  13           HB3      SER  13   4.095  -3.951   6.215
   84    HG   SER  13           HG       SER  13   3.158  -6.552   5.584
   85    H    ASP  14           H        ASP  14   6.680  -3.119   4.831
   86    HA   ASP  14           HA       ASP  14   5.257  -2.435   2.455
   87    HB2  ASP  14           HB2      ASP  14   6.679  -0.994   4.241
   88    HB3  ASP  14           HB3      ASP  14   7.882  -1.159   2.965
   89    H    CYS  15           H        CYS  15   8.415  -3.853   3.133
   90    HA   CYS  15           HA       CYS  15   9.356  -3.799   0.457
   91    HB2  CYS  15           HB2      CYS  15  10.164  -5.544   2.792
   92    HB3  CYS  15           HB3      CYS  15  11.039  -5.444   1.268
   93    H    CYS  16           H        CYS  16   8.549  -4.900  -1.191
   94    HA   CYS  16           HA       CYS  16   7.417  -7.573  -0.681
   95    HB2  CYS  16           HB2      CYS  16   6.587  -5.620  -2.837
   96    HB3  CYS  16           HB3      CYS  16   5.869  -7.198  -2.528
   97    H    LYS  17           H        LYS  17   9.853  -5.841  -2.189
   98    HA   LYS  17           HA       LYS  17  10.196  -7.747  -4.376
   99    HB2  LYS  17           HB2      LYS  17  10.609  -5.074  -4.296
  100    HB3  LYS  17           HB3      LYS  17  12.229  -5.646  -3.918
  101    HG2  LYS  17           HG2      LYS  17  12.414  -5.587  -6.168
  102    HG3  LYS  17           HG3      LYS  17  11.735  -7.209  -6.014
  103    HD2  LYS  17           HD2      LYS  17   9.576  -6.471  -6.607
  104    HD3  LYS  17           HD3      LYS  17  10.005  -4.775  -6.373
  105    HE2  LYS  17           HE2      LYS  17  11.493  -6.372  -8.402
  106    HE3  LYS  17           HE3      LYS  17   9.860  -5.826  -8.782
  107    HZ1  LYS  17           HZ1      LYS  17  10.484  -3.610  -8.643
  108    HZ2  LYS  17           HZ2      LYS  17  11.810  -4.326  -9.412
  109    HZ3  LYS  17           HZ3      LYS  17  11.893  -3.942  -7.767
  110    H    HIS  18           H        HIS  18  10.479  -8.782  -1.763
  111    HA   HIS  18           HA       HIS  18  11.844 -10.166  -0.582
  112    HB2  HIS  18           HB2      HIS  18  13.860  -9.857  -2.807
  113    HB3  HIS  18           HB3      HIS  18  13.690 -11.204  -1.686
  114    HD1  HIS  18           HD1      HIS  18  12.096 -13.052  -2.326
  115    HD2  HIS  18           HD2      HIS  18  11.826  -9.747  -4.829
  116    HE1  HIS  18           HE1      HIS  18  10.630 -13.774  -4.238
  117    H    LEU  19           H        LEU  19  11.989  -7.247  -0.303
  118    HA   LEU  19           HA       LEU  19  14.772  -6.903   0.574
  119    HB2  LEU  19           HB2      LEU  19  12.605  -4.843   0.191
  120    HB3  LEU  19           HB3      LEU  19  14.273  -4.512   0.657
  121    HG   LEU  19           HG       LEU  19  13.898  -5.964  -1.889
  122   HD11  LEU  19          HD11      LEU  19  13.330  -3.014  -1.755
  123   HD12  LEU  19          HD12      LEU  19  12.063  -4.238  -1.829
  124   HD13  LEU  19          HD13      LEU  19  13.218  -4.084  -3.152
  125   HD21  LEU  19          HD21      LEU  19  16.072  -5.143  -0.841
  126   HD22  LEU  19          HD22      LEU  19  15.546  -3.523  -1.299
  127   HD23  LEU  19          HD23      LEU  19  15.799  -4.752  -2.539
  128    H    SER  20           H        SER  20  15.071  -5.647   2.612
  129    HA   SER  20           HA       SER  20  12.993  -6.333   4.587
  130    HB2  SER  20           HB2      SER  20  15.984  -6.626   4.743
  131    HB3  SER  20           HB3      SER  20  15.008  -6.488   6.205
  132    HG   SER  20           HG       SER  20  13.740  -8.268   4.975
  133    H    CYS  21           H        CYS  21  12.121  -4.592   5.469
  134    HA   CYS  21           HA       CYS  21  13.371  -2.010   5.245
  135    HB2  CYS  21           HB2      CYS  21  10.804  -2.726   5.223
  136    HB3  CYS  21           HB3      CYS  21  10.961  -2.418   6.949
  137    H    ARG  22           H        ARG  22  14.948  -1.430   6.580
  138    HA   ARG  22           HA       ARG  22  15.126  -2.550   9.249
  139    HB2  ARG  22           HB2      ARG  22  16.917  -0.680   7.696
  140    HB3  ARG  22           HB3      ARG  22  17.247  -1.191   9.346
  141    HG2  ARG  22           HG2      ARG  22  17.176  -3.565   8.495
  142    HG3  ARG  22           HG3      ARG  22  17.166  -2.884   6.867
  143    HD2  ARG  22           HD2      ARG  22  19.419  -3.286   7.252
  144    HD3  ARG  22           HD3      ARG  22  19.248  -1.576   7.646
  145    HE   ARG  22           HE       ARG  22  18.947  -3.341   9.901
  146   HH11  ARG  22          HH11      ARG  22  21.183  -1.531   7.941
  147   HH12  ARG  22          HH12      ARG  22  22.389  -1.427   9.181
  148   HH21  ARG  22          HH21      ARG  22  20.526  -3.211  11.542
  149   HH22  ARG  22          HH22      ARG  22  22.014  -2.384  11.229
  150    H    SER  23           H        SER  23  14.750  -1.500  11.130
  151    HA   SER  23           HA       SER  23  13.189   0.902  11.036
  152    HB2  SER  23           HB2      SER  23  12.494  -0.583  12.709
  153    HB3  SER  23           HB3      SER  23  14.144  -0.908  13.239
  154    HG   SER  23           HG       SER  23  13.925   0.656  14.607
  155    H    ASP  24           H        ASP  24  16.451   0.363  10.936
  156    HA   ASP  24           HA       ASP  24  17.341   2.495  12.639
  157    HB2  ASP  24           HB2      ASP  24  18.937   1.250  10.406
  158    HB3  ASP  24           HB3      ASP  24  19.529   1.981  11.895
  159    H    TRP  25           H        TRP  25  17.410   2.054   9.098
  160    HA   TRP  25           HA       TRP  25  17.557   4.968   8.801
  161    HB2  TRP  25           HB2      TRP  25  18.412   2.653   7.142
  162    HB3  TRP  25           HB3      TRP  25  17.889   4.102   6.287
  163    HD1  TRP  25           HD1      TRP  25  20.288   3.393   9.273
  164    HE1  TRP  25           HE1      TRP  25  22.394   4.836   8.942
  165    HE3  TRP  25           HE3      TRP  25  18.977   5.762   4.937
  166    HZ2  TRP  25           HZ2      TRP  25  23.370   6.728   7.089
  167    HZ3  TRP  25           HZ3      TRP  25  20.553   7.374   3.950
  168    HH2  TRP  25           HH2      TRP  25  22.703   7.846   5.006
  169    H    LYS  26           H        LYS  26  15.351   2.426   8.650
  170    HA   LYS  26           HA       LYS  26  13.167   2.295   8.029
  171    HB2  LYS  26           HB2      LYS  26  13.283   5.254   7.460
  172    HB3  LYS  26           HB3      LYS  26  11.874   4.293   7.891
  173    HG2  LYS  26           HG2      LYS  26  13.079   3.854  10.103
  174    HG3  LYS  26           HG3      LYS  26  14.138   5.187   9.639
  175    HD2  LYS  26           HD2      LYS  26  11.892   6.454   9.234
  176    HD3  LYS  26           HD3      LYS  26  11.223   5.218  10.302
  177    HE2  LYS  26           HE2      LYS  26  11.785   6.909  11.780
  178    HE3  LYS  26           HE3      LYS  26  13.192   5.849  11.861
  179    HZ1  LYS  26           HZ1      LYS  26  12.943   8.405  10.380
  180    HZ2  LYS  26           HZ2      LYS  26  14.234   7.333  10.165
  181    HZ3  LYS  26           HZ3      LYS  26  13.979   8.058  11.672
  182    H    TYR  27           H        TYR  27  14.836   1.461   6.129
  183    HA   TYR  27           HA       TYR  27  13.405   2.128   3.697
  184    HB2  TYR  27           HB2      TYR  27  15.232   2.842   2.415
  185    HB3  TYR  27           HB3      TYR  27  15.441   3.692   3.943
  186    HD1  TYR  27           HD2      TYR  27  16.755   1.949   5.716
  187    HD2  TYR  27           HD1      TYR  27  17.249   2.223   1.499
  188    HE1  TYR  27           HE2      TYR  27  19.022   1.020   5.927
  189    HE2  TYR  27           HE1      TYR  27  19.517   1.293   1.698
  190    HH   TYR  27           HH       TYR  27  21.300   1.160   3.496
  191    H    CYS  28           H        CYS  28  13.383   0.478   2.212
  192    HA   CYS  28           HA       CYS  28  13.731  -2.127   3.071
  193    HB2  CYS  28           HB2      CYS  28  13.450  -0.863   0.374
  194    HB3  CYS  28           HB3      CYS  28  13.840  -2.577   0.476
  195    H    ALA  29           H        ALA  29  15.250  -3.761   2.532
  196    HA   ALA  29           HA       ALA  29  17.879  -2.811   1.630
  197    HB1  ALA  29           HB1      ALA  29  18.111  -4.832   3.693
  198    HB2  ALA  29           HB2      ALA  29  18.913  -3.267   3.548
  199    HB3  ALA  29           HB3      ALA  29  17.312  -3.374   4.280
  200    H    TRP  30           H        TRP  30  19.052  -4.250   0.427
  201    HA   TRP  30           HA       TRP  30  17.610  -6.427  -0.746
  202    HB2  TRP  30           HB2      TRP  30  20.183  -5.051  -1.208
  203    HB3  TRP  30           HB3      TRP  30  20.140  -6.748  -1.678
  204    HD1  TRP  30           HD1      TRP  30  19.868  -3.681  -3.344
  205    HE1  TRP  30           HE1      TRP  30  18.256  -3.737  -5.349
  206    HE3  TRP  30           HE3      TRP  30  17.295  -7.948  -2.198
  207    HZ2  TRP  30           HZ2      TRP  30  16.169  -5.372  -6.317
  208    HZ3  TRP  30           HZ3      TRP  30  15.505  -8.689  -3.716
  209    HH2  TRP  30           HH2      TRP  30  14.955  -7.426  -5.732
  210    H    ASP  31           H        ASP  31  18.652  -8.613  -0.989
  211    HA   ASP  31           HA       ASP  31  19.214 -10.590  -0.008
  212    HB2  ASP  31           HB2      ASP  31  21.270  -9.004   1.530
  213    HB3  ASP  31           HB3      ASP  31  21.355 -10.692   1.033
  214    H    GLY  32           H        GLY  32  17.125  -9.092   1.258
  215    HA2  GLY  32           HA2      GLY  32  15.841  -9.171   3.159
  216    HA3  GLY  32           HA3      GLY  32  16.789 -10.580   3.610
  217    H    THR  33           H        THR  33  16.823 -10.022   5.792
  218    HA   THR  33           HA       THR  33  17.845  -7.462   6.637
  219    HB   THR  33           HB       THR  33  17.560  -9.823   8.468
  220    HG1  THR  33           HG1      THR  33  15.568  -9.925   7.676
  221   HG21  THR  33          HG21      THR  33  18.115  -8.188   9.898
  222   HG22  THR  33          HG22      THR  33  16.480  -7.577   9.643
  223   HG23  THR  33          HG23      THR  33  17.822  -6.928   8.700
  224    H    PHE  34           H        PHE  34  19.784  -7.094   7.763
  225    HA   PHE  34           HA       PHE  34  21.879  -9.085   7.203
  226    HB2  PHE  34           HB2      PHE  34  21.996  -6.079   7.447
  227    HB3  PHE  34           HB3      PHE  34  23.438  -7.089   7.440
  228    HD1  PHE  34           HD2      PHE  34  23.285  -8.941   5.421
  229    HD2  PHE  34           HD1      PHE  34  21.546  -5.056   5.457
  230    HE1  PHE  34           HE2      PHE  34  23.290  -8.920   2.961
  231    HE2  PHE  34           HE1      PHE  34  21.548  -5.029   2.997
  232    HZ   PHE  34           HZ       PHE  34  22.419  -6.963   1.745
  233    H    SER  35           H        SER  35  22.697 -10.129   8.881
  234    HA   SER  35           HA       SER  35  22.798  -8.777  11.490
  235    HB2  SER  35           HB2      SER  35  20.868 -10.329  11.460
  236    HB3  SER  35           HB3      SER  35  21.959 -11.656  11.061
  237    HG   SER  35           HG       SER  35  21.435 -11.415  13.342
  Start of MODEL   12
    1    H1   GLU   1           H        GLU   1   1.808   0.001   0.855
    2    HA   GLU   1           HA       GLU   1   1.549  -0.592  -1.965
    3    HB2  GLU   1           HB2      GLU   1   2.490   2.080  -0.956
    4    HB3  GLU   1           HB3      GLU   1   3.046   1.444  -2.497
    5    HG2  GLU   1           HG2      GLU   1   1.234   2.867  -2.975
    6    HG3  GLU   1           HG3      GLU   1   0.633   1.220  -3.157
    7    H    CYS   2           H        CYS   2   3.757  -0.718  -3.011
    8    HA   CYS   2           HA       CYS   2   5.767  -1.587  -1.038
    9    HB2  CYS   2           HB2      CYS   2   5.368  -2.828  -3.762
   10    HB3  CYS   2           HB3      CYS   2   6.386  -3.417  -2.451
   11    H    ARG   3           H        ARG   3   7.926  -1.172  -1.502
   12    HA   ARG   3           HA       ARG   3   8.502   0.408  -3.905
   13    HB2  ARG   3           HB2      ARG   3   9.595   1.212  -1.219
   14    HB3  ARG   3           HB3      ARG   3   9.580   2.136  -2.716
   15    HG2  ARG   3           HG2      ARG   3   6.923   1.762  -2.296
   16    HG3  ARG   3           HG3      ARG   3   7.532   1.871  -0.643
   17    HD2  ARG   3           HD2      ARG   3   8.806   3.949  -1.495
   18    HD3  ARG   3           HD3      ARG   3   7.675   3.896  -2.847
   19    HE   ARG   3           HE       ARG   3   7.123   4.752  -0.175
   20   HH11  ARG   3          HH11      ARG   3   5.732   3.313  -3.023
   21   HH12  ARG   3          HH12      ARG   3   4.123   3.844  -2.665
   22   HH21  ARG   3          HH21      ARG   3   5.009   5.457   0.308
   23   HH22  ARG   3          HH22      ARG   3   3.712   5.065  -0.770
   24    H    TYR   4           H        TYR   4  10.977   0.802  -4.023
   25    HA   TYR   4           HA       TYR   4  12.232  -1.808  -3.714
   26    HB2  TYR   4           HB2      TYR   4  14.111  -0.484  -5.012
   27    HB3  TYR   4           HB3      TYR   4  12.679  -1.071  -5.849
   28    HD1  TYR   4           HD2      TYR   4  14.329   1.914  -4.456
   29    HD2  TYR   4           HD1      TYR   4  11.073   0.447  -6.769
   30    HE1  TYR   4           HE2      TYR   4  13.839   4.204  -5.207
   31    HE2  TYR   4           HE1      TYR   4  10.574   2.733  -7.527
   32    HH   TYR   4           HH       TYR   4  10.954   4.985  -6.962
   33    H    LEU   5           H        LEU   5  14.828  -1.385  -3.440
   34    HA   LEU   5           HA       LEU   5  15.261  -1.014  -0.745
   35    HB2  LEU   5           HB2      LEU   5  16.788  -1.982  -2.594
   36    HB3  LEU   5           HB3      LEU   5  17.376  -0.328  -2.753
   37    HG   LEU   5           HG       LEU   5  17.444  -1.841  -0.151
   38   HD11  LEU   5          HD11      LEU   5  20.000  -1.857  -0.903
   39   HD12  LEU   5          HD12      LEU   5  19.247  -1.969  -2.494
   40   HD13  LEU   5          HD13      LEU   5  18.892  -3.182  -1.265
   41   HD21  LEU   5          HD21      LEU   5  19.358  -0.139   0.160
   42   HD22  LEU   5          HD22      LEU   5  17.693   0.422   0.308
   43   HD23  LEU   5          HD23      LEU   5  18.598   0.726  -1.176
   44    H    PHE   6           H        PHE   6  15.769   1.343  -3.360
   45    HA   PHE   6           HA       PHE   6  16.477   3.442  -1.532
   46    HB2  PHE   6           HB2      PHE   6  15.796   3.532  -4.478
   47    HB3  PHE   6           HB3      PHE   6  16.439   4.882  -3.550
   48    HD1  PHE   6           HD2      PHE   6  18.749   4.880  -2.788
   49    HD2  PHE   6           HD1      PHE   6  17.190   1.692  -5.138
   50    HE1  PHE   6           HE2      PHE   6  21.039   4.115  -3.263
   51    HE2  PHE   6           HE1      PHE   6  19.477   0.921  -5.616
   52    HZ   PHE   6           HZ       PHE   6  21.405   2.133  -4.679
   53    H    GLY   7           H        GLY   7  13.572   2.055  -2.477
   54    HA2  GLY   7           HA2      GLY   7  11.792   4.146  -2.779
   55    HA3  GLY   7           HA3      GLY   7  11.390   2.612  -2.021
   56    H    GLY   8           H        GLY   8  12.164   2.427   0.321
   57    HA2  GLY   8           HA2      GLY   8  12.683   3.600   2.370
   58    HA3  GLY   8           HA3      GLY   8  11.937   5.034   1.680
   59    H    CYS   9           H        CYS   9  11.512   2.962   4.052
   60    HA   CYS   9           HA       CYS   9   8.653   3.386   4.136
   61    HB2  CYS   9           HB2      CYS   9   8.282   0.909   4.682
   62    HB3  CYS   9           HB3      CYS   9   8.526   1.332   2.990
   63    H    SER  10           H        SER  10   7.820   2.126   6.242
   64    HA   SER  10           HA       SER  10   9.739   2.809   8.370
   65    HB2  SER  10           HB2      SER  10   7.682   3.122   9.799
   66    HB3  SER  10           HB3      SER  10   7.848   4.281   8.481
   67    HG   SER  10           HG       SER  10   6.046   2.156   8.775
   68    H    SER  11           H        SER  11   7.704   0.359   7.041
   69    HA   SER  11           HA       SER  11   8.575  -1.478   9.168
   70    HB2  SER  11           HB2      SER  11   6.166  -0.872   9.444
   71    HB3  SER  11           HB3      SER  11   5.854  -1.544   7.843
   72    HG   SER  11           HG       SER  11   6.805  -2.916  10.136
   73    H    THR  12           H        THR  12   8.516  -3.774   8.495
   74    HA   THR  12           HA       THR  12   9.828  -4.103   5.992
   75    HB   THR  12           HB       THR  12   9.879  -6.490   6.519
   76    HG1  THR  12           HG1      THR  12   8.309  -7.268   7.691
   77   HG21  THR  12          HG21      THR  12  11.651  -5.730   7.681
   78   HG22  THR  12          HG22      THR  12  10.647  -6.032   9.099
   79   HG23  THR  12          HG23      THR  12  10.731  -4.412   8.406
   80    H    SER  13           H        SER  13   6.542  -4.353   7.042
   81    HA   SER  13           HA       SER  13   5.494  -6.097   5.131
   82    HB2  SER  13           HB2      SER  13   4.403  -4.856   7.207
   83    HB3  SER  13           HB3      SER  13   3.890  -3.718   5.962
   84    HG   SER  13           HG       SER  13   2.435  -5.541   6.437
   85    H    ASP  14           H        ASP  14   6.661  -2.875   4.820
   86    HA   ASP  14           HA       ASP  14   5.235  -2.174   2.452
   87    HB2  ASP  14           HB2      ASP  14   7.723  -1.076   3.758
   88    HB3  ASP  14           HB3      ASP  14   7.076  -0.420   2.256
   89    H    CYS  15           H        CYS  15   8.392  -3.612   3.110
   90    HA   CYS  15           HA       CYS  15   9.309  -3.589   0.429
   91    HB2  CYS  15           HB2      CYS  15  10.109  -5.345   2.759
   92    HB3  CYS  15           HB3      CYS  15  10.978  -5.248   1.231
   93    H    CYS  16           H        CYS  16   8.409  -4.651  -1.199
   94    HA   CYS  16           HA       CYS  16   7.298  -7.332  -0.684
   95    HB2  CYS  16           HB2      CYS  16   6.392  -5.381  -2.810
   96    HB3  CYS  16           HB3      CYS  16   5.666  -6.940  -2.434
   97    H    LYS  17           H        LYS  17   9.680  -5.581  -2.252
   98    HA   LYS  17           HA       LYS  17   9.945  -7.455  -4.476
   99    HB2  LYS  17           HB2      LYS  17  11.233  -4.834  -3.779
  100    HB3  LYS  17           HB3      LYS  17  11.970  -5.898  -4.969
  101    HG2  LYS  17           HG2      LYS  17   9.100  -5.082  -5.202
  102    HG3  LYS  17           HG3      LYS  17  10.400  -4.038  -5.783
  103    HD2  LYS  17           HD2      LYS  17  10.378  -6.906  -6.600
  104    HD3  LYS  17           HD3      LYS  17   9.251  -5.790  -7.375
  105    HE2  LYS  17           HE2      LYS  17  11.067  -4.381  -8.094
  106    HE3  LYS  17           HE3      LYS  17  12.229  -5.353  -7.192
  107    HZ1  LYS  17           HZ1      LYS  17  11.169  -5.773  -9.803
  108    HZ2  LYS  17           HZ2      LYS  17  10.941  -7.134  -8.826
  109    HZ3  LYS  17           HZ3      LYS  17  12.496  -6.507  -9.053
  110    H    HIS  18           H        HIS  18  10.319  -8.521  -1.886
  111    HA   HIS  18           HA       HIS  18  11.726  -9.912  -0.762
  112    HB2  HIS  18           HB2      HIS  18  12.275 -10.449  -3.287
  113    HB3  HIS  18           HB3      HIS  18  13.810  -9.681  -2.894
  114    HD1  HIS  18           HD1      HIS  18  15.188 -11.819  -3.033
  115    HD2  HIS  18           HD2      HIS  18  12.042 -12.057  -0.330
  116    HE1  HIS  18           HE1      HIS  18  15.583 -13.931  -1.726
  117    H    LEU  19           H        LEU  19  11.819  -7.216  -0.103
  118    HA   LEU  19           HA       LEU  19  14.664  -6.856   0.577
  119    HB2  LEU  19           HB2      LEU  19  12.584  -4.711   0.179
  120    HB3  LEU  19           HB3      LEU  19  14.270  -4.450   0.620
  121    HG   LEU  19           HG       LEU  19  13.829  -5.923  -1.895
  122   HD11  LEU  19          HD11      LEU  19  12.049  -4.046  -1.716
  123   HD12  LEU  19          HD12      LEU  19  13.024  -4.180  -3.179
  124   HD13  LEU  19          HD13      LEU  19  13.419  -2.963  -1.965
  125   HD21  LEU  19          HD21      LEU  19  15.750  -4.784  -2.578
  126   HD22  LEU  19          HD22      LEU  19  16.021  -5.090  -0.862
  127   HD23  LEU  19          HD23      LEU  19  15.513  -3.489  -1.404
  128    H    SER  20           H        SER  20  14.998  -5.567   2.597
  129    HA   SER  20           HA       SER  20  12.903  -6.176   4.579
  130    HB2  SER  20           HB2      SER  20  15.869  -6.594   4.687
  131    HB3  SER  20           HB3      SER  20  14.983  -6.277   6.179
  132    HG   SER  20           HG       SER  20  14.955  -8.456   5.931
  133    H    CYS  21           H        CYS  21  12.067  -4.414   5.454
  134    HA   CYS  21           HA       CYS  21  13.342  -1.851   5.171
  135    HB2  CYS  21           HB2      CYS  21  10.772  -2.526   5.194
  136    HB3  CYS  21           HB3      CYS  21  10.954  -2.223   6.919
  137    H    ARG  22           H        ARG  22  14.930  -1.236   6.474
  138    HA   ARG  22           HA       ARG  22  15.178  -2.337   9.143
  139    HB2  ARG  22           HB2      ARG  22  16.901  -0.539   7.452
  140    HB3  ARG  22           HB3      ARG  22  17.253  -0.815   9.153
  141    HG2  ARG  22           HG2      ARG  22  17.065  -3.343   8.418
  142    HG3  ARG  22           HG3      ARG  22  17.473  -2.661   6.842
  143    HD2  ARG  22           HD2      ARG  22  19.578  -3.030   7.625
  144    HD3  ARG  22           HD3      ARG  22  19.317  -1.415   8.284
  145    HE   ARG  22           HE       ARG  22  18.430  -3.308  10.152
  146   HH11  ARG  22          HH11      ARG  22  21.383  -2.155   8.715
  147   HH12  ARG  22          HH12      ARG  22  22.358  -2.540  10.094
  148   HH21  ARG  22          HH21      ARG  22  19.703  -3.820  11.974
  149   HH22  ARG  22          HH22      ARG  22  21.401  -3.488  11.947
  150    H    SER  23           H        SER  23  14.786  -1.301  11.022
  151    HA   SER  23           HA       SER  23  13.211   1.093  10.946
  152    HB2  SER  23           HB2      SER  23  13.468   0.811  13.536
  153    HB3  SER  23           HB3      SER  23  12.507  -0.355  12.627
  154    HG   SER  23           HG       SER  23  14.800  -0.727  14.038
  155    H    ASP  24           H        ASP  24  16.474   0.574  10.828
  156    HA   ASP  24           HA       ASP  24  17.363   2.699  12.539
  157    HB2  ASP  24           HB2      ASP  24  18.988   1.547  10.288
  158    HB3  ASP  24           HB3      ASP  24  19.537   2.166  11.843
  159    H    TRP  25           H        TRP  25  17.413   2.284   8.994
  160    HA   TRP  25           HA       TRP  25  17.523   5.204   8.722
  161    HB2  TRP  25           HB2      TRP  25  18.416   2.917   7.039
  162    HB3  TRP  25           HB3      TRP  25  17.890   4.377   6.205
  163    HD1  TRP  25           HD1      TRP  25  20.135   3.869   9.345
  164    HE1  TRP  25           HE1      TRP  25  22.286   5.239   9.000
  165    HE3  TRP  25           HE3      TRP  25  19.165   5.740   4.688
  166    HZ2  TRP  25           HZ2      TRP  25  23.421   6.895   7.015
  167    HZ3  TRP  25           HZ3      TRP  25  20.835   7.210   3.636
  168    HH2  TRP  25           HH2      TRP  25  22.918   7.774   4.777
  169    H    LYS  26           H        LYS  26  15.340   2.665   8.601
  170    HA   LYS  26           HA       LYS  26  13.159   2.508   7.976
  171    HB2  LYS  26           HB2      LYS  26  13.274   5.455   7.341
  172    HB3  LYS  26           HB3      LYS  26  11.860   4.502   7.773
  173    HG2  LYS  26           HG2      LYS  26  13.026   4.108  10.009
  174    HG3  LYS  26           HG3      LYS  26  14.105   5.421   9.534
  175    HD2  LYS  26           HD2      LYS  26  12.436   7.007   9.634
  176    HD3  LYS  26           HD3      LYS  26  11.152   5.826   9.366
  177    HE2  LYS  26           HE2      LYS  26  11.325   5.013  11.593
  178    HE3  LYS  26           HE3      LYS  26  12.817   5.910  11.873
  179    HZ1  LYS  26           HZ1      LYS  26  11.701   7.786  12.314
  180    HZ2  LYS  26           HZ2      LYS  26  10.389   6.760  12.605
  181    HZ3  LYS  26           HZ3      LYS  26  10.545   7.529  11.106
  182    H    TYR  27           H        TYR  27  14.758   1.576   6.110
  183    HA   TYR  27           HA       TYR  27  13.373   2.239   3.651
  184    HB2  TYR  27           HB2      TYR  27  15.249   2.818   2.360
  185    HB3  TYR  27           HB3      TYR  27  15.460   3.725   3.854
  186    HD1  TYR  27           HD2      TYR  27  16.705   2.074   5.727
  187    HD2  TYR  27           HD1      TYR  27  17.232   2.031   1.506
  188    HE1  TYR  27           HE2      TYR  27  18.935   1.078   6.022
  189    HE2  TYR  27           HE1      TYR  27  19.463   1.033   1.788
  190    HH   TYR  27           HH       TYR  27  20.490  -0.447   4.448
  191    H    CYS  28           H        CYS  28  13.604   0.633   2.014
  192    HA   CYS  28           HA       CYS  28  13.750  -2.003   3.012
  193    HB2  CYS  28           HB2      CYS  28  13.492  -0.791   0.286
  194    HB3  CYS  28           HB3      CYS  28  13.812  -2.516   0.435
  195    H    ALA  29           H        ALA  29  15.223  -3.686   2.480
  196    HA   ALA  29           HA       ALA  29  17.866  -2.813   1.543
  197    HB1  ALA  29           HB1      ALA  29  17.316  -4.387   4.053
  198    HB2  ALA  29           HB2      ALA  29  18.913  -4.206   3.324
  199    HB3  ALA  29           HB3      ALA  29  18.054  -2.789   3.929
  200    H    TRP  30           H        TRP  30  18.991  -4.299   0.351
  201    HA   TRP  30           HA       TRP  30  17.493  -6.445  -0.793
  202    HB2  TRP  30           HB2      TRP  30  20.125  -5.178  -1.239
  203    HB3  TRP  30           HB3      TRP  30  20.020  -6.879  -1.686
  204    HD1  TRP  30           HD1      TRP  30  19.892  -3.827  -3.397
  205    HE1  TRP  30           HE1      TRP  30  18.305  -3.847  -5.423
  206    HE3  TRP  30           HE3      TRP  30  17.137  -7.972  -2.229
  207    HZ2  TRP  30           HZ2      TRP  30  16.168  -5.413  -6.397
  208    HZ3  TRP  30           HZ3      TRP  30  15.340  -8.664  -3.761
  209    HH2  TRP  30           HH2      TRP  30  14.866  -7.409  -5.801
  210    H    ASP  31           H        ASP  31  18.451  -8.673  -0.992
  211    HA   ASP  31           HA       ASP  31  18.904 -10.657   0.034
  212    HB2  ASP  31           HB2      ASP  31  21.042  -9.129   1.522
  213    HB3  ASP  31           HB3      ASP  31  21.040 -10.837   1.091
  214    H    GLY  32           H        GLY  32  16.929  -8.953   1.296
  215    HA2  GLY  32           HA2      GLY  32  15.683  -8.856   3.221
  216    HA3  GLY  32           HA3      GLY  32  16.415 -10.404   3.616
  217    H    THR  33           H        THR  33  16.900 -10.201   5.723
  218    HA   THR  33           HA       THR  33  18.017  -7.754   6.781
  219    HB   THR  33           HB       THR  33  18.218  -9.236   8.903
  220    HG1  THR  33           HG1      THR  33  17.336 -11.183   8.806
  221   HG21  THR  33          HG21      THR  33  15.365  -9.110   8.271
  222   HG22  THR  33          HG22      THR  33  16.236  -7.619   7.911
  223   HG23  THR  33          HG23      THR  33  16.281  -8.296   9.538
  224    H    PHE  34           H        PHE  34  19.996  -7.848   8.163
  225    HA   PHE  34           HA       PHE  34  22.030  -9.592   6.936
  226    HB2  PHE  34           HB2      PHE  34  22.246  -6.720   7.843
  227    HB3  PHE  34           HB3      PHE  34  23.647  -7.719   7.470
  228    HD1  PHE  34           HD2      PHE  34  23.424  -8.966   5.103
  229    HD2  PHE  34           HD1      PHE  34  21.497  -5.330   6.190
  230    HE1  PHE  34           HE2      PHE  34  23.218  -8.368   2.726
  231    HE2  PHE  34           HE1      PHE  34  21.287  -4.727   3.814
  232    HZ   PHE  34           HZ       PHE  34  22.150  -6.246   2.078
  233    H    SER  35           H        SER  35  23.700 -10.373   8.267
  234    HA   SER  35           HA       SER  35  23.211 -10.119  11.161
  235    HB2  SER  35           HB2      SER  35  22.427 -12.315  10.277
  236    HB3  SER  35           HB3      SER  35  24.071 -12.645   9.730
  237    HG   SER  35           HG       SER  35  23.417 -13.494  11.867
  Start of MODEL   13
    1    H1   GLU   1           H        GLU   1   2.291   0.720   0.438
    2    HA   GLU   1           HA       GLU   1   1.656  -0.988  -1.810
    3    HB2  GLU   1           HB2      GLU   1   2.848   0.552  -3.420
    4    HB3  GLU   1           HB3      GLU   1   1.254   1.082  -2.901
    5    HG2  GLU   1           HG2      GLU   1   2.098   2.793  -1.601
    6    HG3  GLU   1           HG3      GLU   1   3.688   2.045  -1.467
    7    H    CYS   2           H        CYS   2   3.697  -1.567  -3.035
    8    HA   CYS   2           HA       CYS   2   5.837  -1.976  -1.081
    9    HB2  CYS   2           HB2      CYS   2   5.525  -3.284  -3.787
   10    HB3  CYS   2           HB3      CYS   2   6.575  -3.794  -2.469
   11    H    ARG   3           H        ARG   3   7.999  -1.513  -1.529
   12    HA   ARG   3           HA       ARG   3   8.546   0.080  -3.931
   13    HB2  ARG   3           HB2      ARG   3   9.603   0.916  -1.241
   14    HB3  ARG   3           HB3      ARG   3   9.561   1.840  -2.736
   15    HG2  ARG   3           HG2      ARG   3   6.916   1.376  -2.316
   16    HG3  ARG   3           HG3      ARG   3   7.523   1.512  -0.664
   17    HD2  ARG   3           HD2      ARG   3   8.743   3.622  -1.583
   18    HD3  ARG   3           HD3      ARG   3   7.535   3.534  -2.865
   19    HE   ARG   3           HE       ARG   3   6.201   3.363  -0.423
   20   HH11  ARG   3          HH11      ARG   3   8.103   5.659  -2.222
   21   HH12  ARG   3          HH12      ARG   3   7.316   7.043  -1.538
   22   HH21  ARG   3          HH21      ARG   3   5.158   5.178   0.484
   23   HH22  ARG   3          HH22      ARG   3   5.642   6.768   0.001
   24    H    TYR   4           H        TYR   4  11.011   0.546  -4.031
   25    HA   TYR   4           HA       TYR   4  12.338  -2.027  -3.713
   26    HB2  TYR   4           HB2      TYR   4  14.186  -0.650  -5.000
   27    HB3  TYR   4           HB3      TYR   4  12.777  -1.279  -5.846
   28    HD1  TYR   4           HD2      TYR   4  14.332   1.754  -4.446
   29    HD2  TYR   4           HD1      TYR   4  11.133   0.191  -6.777
   30    HE1  TYR   4           HE2      TYR   4  13.779   4.028  -5.202
   31    HE2  TYR   4           HE1      TYR   4  10.573   2.461  -7.540
   32    HH   TYR   4           HH       TYR   4  12.627   5.192  -6.848
   33    H    LEU   5           H        LEU   5  14.919  -1.528  -3.424
   34    HA   LEU   5           HA       LEU   5  15.326  -1.144  -0.727
   35    HB2  LEU   5           HB2      LEU   5  16.893  -2.069  -2.561
   36    HB3  LEU   5           HB3      LEU   5  17.427  -0.398  -2.728
   37    HG   LEU   5           HG       LEU   5  17.539  -1.902  -0.121
   38   HD11  LEU   5          HD11      LEU   5  19.019  -3.185  -1.288
   39   HD12  LEU   5          HD12      LEU   5  20.084  -1.861  -0.816
   40   HD13  LEU   5          HD13      LEU   5  19.397  -1.903  -2.440
   41   HD21  LEU   5          HD21      LEU   5  17.676   0.388   0.309
   42   HD22  LEU   5          HD22      LEU   5  18.630   0.700  -1.141
   43   HD23  LEU   5          HD23      LEU   5  19.360  -0.131   0.233
   44    H    PHE   6           H        PHE   6  15.780   1.228  -3.338
   45    HA   PHE   6           HA       PHE   6  16.410   3.346  -1.504
   46    HB2  PHE   6           HB2      PHE   6  15.711   3.482  -4.445
   47    HB3  PHE   6           HB3      PHE   6  16.422   4.780  -3.491
   48    HD1  PHE   6           HD2      PHE   6  18.728   4.490  -2.566
   49    HD2  PHE   6           HD1      PHE   6  17.044   1.802  -5.404
   50    HE1  PHE   6           HE2      PHE   6  20.979   3.662  -3.112
   51    HE2  PHE   6           HE1      PHE   6  19.292   0.969  -5.954
   52    HZ   PHE   6           HZ       PHE   6  21.264   1.898  -4.807
   53    H    GLY   7           H        GLY   7  13.557   1.872  -2.470
   54    HA2  GLY   7           HA2      GLY   7  11.720   3.913  -2.789
   55    HA3  GLY   7           HA3      GLY   7  11.355   2.365  -2.041
   56    H    GLY   8           H        GLY   8  12.108   2.193   0.309
   57    HA2  GLY   8           HA2      GLY   8  12.572   3.373   2.367
   58    HA3  GLY   8           HA3      GLY   8  11.791   4.787   1.675
   59    H    CYS   9           H        CYS   9  11.396   2.768   4.065
   60    HA   CYS   9           HA       CYS   9   8.528   3.081   4.107
   61    HB2  CYS   9           HB2      CYS   9   8.232   0.591   4.659
   62    HB3  CYS   9           HB3      CYS   9   8.464   1.023   2.968
   63    H    SER  10           H        SER  10   7.710   1.799   6.206
   64    HA   SER  10           HA       SER  10   9.579   2.558   8.354
   65    HB2  SER  10           HB2      SER  10   7.617   3.938   8.442
   66    HB3  SER  10           HB3      SER  10   6.555   2.539   8.284
   67    HG   SER  10           HG       SER  10   6.992   3.507  10.482
   68    H    SER  11           H        SER  11   7.671   0.015   7.007
   69    HA   SER  11           HA       SER  11   8.619  -1.782   9.133
   70    HB2  SER  11           HB2      SER  11   5.876  -1.849   7.850
   71    HB3  SER  11           HB3      SER  11   6.494  -3.028   9.008
   72    HG   SER  11           HG       SER  11   5.589  -0.439   9.414
   73    H    THR  12           H        THR  12   8.631  -4.085   8.455
   74    HA   THR  12           HA       THR  12   9.957  -4.358   5.951
   75    HB   THR  12           HB       THR  12   9.900  -6.824   6.482
   76    HG1  THR  12           HG1      THR  12   8.760  -7.507   8.148
   77   HG21  THR  12          HG21      THR  12  11.859  -6.293   7.403
   78   HG22  THR  12          HG22      THR  12  11.026  -6.053   8.939
   79   HG23  THR  12          HG23      THR  12  11.264  -4.693   7.843
   80    H    SER  13           H        SER  13   6.680  -4.712   6.992
   81    HA   SER  13           HA       SER  13   5.687  -6.493   5.090
   82    HB2  SER  13           HB2      SER  13   4.342  -5.772   6.985
   83    HB3  SER  13           HB3      SER  13   4.325  -4.116   6.380
   84    HG   SER  13           HG       SER  13   2.544  -4.761   5.454
   85    H    ASP  14           H        ASP  14   6.754  -3.234   4.763
   86    HA   ASP  14           HA       ASP  14   5.325  -2.601   2.378
   87    HB2  ASP  14           HB2      ASP  14   7.590  -1.392   3.899
   88    HB3  ASP  14           HB3      ASP  14   7.352  -0.892   2.227
   89    H    CYS  15           H        CYS  15   8.523  -3.926   3.072
   90    HA   CYS  15           HA       CYS  15   9.467  -3.890   0.402
   91    HB2  CYS  15           HB2      CYS  15  10.288  -5.618   2.747
   92    HB3  CYS  15           HB3      CYS  15  11.171  -5.501   1.228
   93    H    CYS  16           H        CYS  16   8.635  -4.988  -1.237
   94    HA   CYS  16           HA       CYS  16   7.573  -7.690  -0.725
   95    HB2  CYS  16           HB2      CYS  16   6.674  -5.747  -2.863
   96    HB3  CYS  16           HB3      CYS  16   5.995  -7.341  -2.551
   97    H    LYS  17           H        LYS  17   9.946  -5.893  -2.263
   98    HA   LYS  17           HA       LYS  17  10.308  -7.788  -4.456
   99    HB2  LYS  17           HB2      LYS  17  11.491  -5.118  -3.770
  100    HB3  LYS  17           HB3      LYS  17  12.311  -6.177  -4.910
  101    HG2  LYS  17           HG2      LYS  17  10.989  -4.692  -6.183
  102    HG3  LYS  17           HG3      LYS  17  10.172  -6.256  -6.222
  103    HD2  LYS  17           HD2      LYS  17   9.289  -4.666  -3.975
  104    HD3  LYS  17           HD3      LYS  17   9.070  -3.800  -5.498
  105    HE2  LYS  17           HE2      LYS  17   8.147  -6.208  -6.224
  106    HE3  LYS  17           HE3      LYS  17   7.772  -6.266  -4.502
  107    HZ1  LYS  17           HZ1      LYS  17   5.905  -5.249  -5.217
  108    HZ2  LYS  17           HZ2      LYS  17   6.634  -4.593  -6.595
  109    HZ3  LYS  17           HZ3      LYS  17   6.857  -3.857  -5.089
  110    H    HIS  18           H        HIS  18  10.656  -8.807  -1.841
  111    HA   HIS  18           HA       HIS  18  12.076 -10.141  -0.666
  112    HB2  HIS  18           HB2      HIS  18  14.023  -9.837  -2.951
  113    HB3  HIS  18           HB3      HIS  18  13.909 -11.167  -1.803
  114    HD1  HIS  18           HD1      HIS  18  13.624 -11.183  -5.054
  115    HD2  HIS  18           HD2      HIS  18  10.631 -11.677  -2.214
  116    HE1  HIS  18           HE1      HIS  18  11.787 -12.440  -6.224
  117    H    LEU  19           H        LEU  19  12.099  -7.415  -0.080
  118    HA   LEU  19           HA       LEU  19  14.924  -6.970   0.631
  119    HB2  LEU  19           HB2      LEU  19  12.769  -4.907   0.197
  120    HB3  LEU  19           HB3      LEU  19  14.435  -4.575   0.665
  121    HG   LEU  19           HG       LEU  19  14.098  -6.080  -1.847
  122   HD11  LEU  19          HD11      LEU  19  13.571  -3.141  -1.946
  123   HD12  LEU  19          HD12      LEU  19  12.241  -4.274  -1.710
  124   HD13  LEU  19          HD13      LEU  19  13.244  -4.381  -3.156
  125   HD21  LEU  19          HD21      LEU  19  15.673  -3.577  -1.343
  126   HD22  LEU  19          HD22      LEU  19  15.983  -4.867  -2.505
  127   HD23  LEU  19          HD23      LEU  19  16.236  -5.152  -0.783
  128    H    SER  20           H        SER  20  15.213  -5.667   2.645
  129    HA   SER  20           HA       SER  20  13.132  -6.333   4.625
  130    HB2  SER  20           HB2      SER  20  16.124  -6.583   4.782
  131    HB3  SER  20           HB3      SER  20  15.164  -6.387   6.248
  132    HG   SER  20           HG       SER  20  14.748  -8.429   6.107
  133    H    CYS  21           H        CYS  21  12.215  -4.586   5.447
  134    HA   CYS  21           HA       CYS  21  13.395  -1.983   5.158
  135    HB2  CYS  21           HB2      CYS  21  10.855  -2.752   5.176
  136    HB3  CYS  21           HB3      CYS  21  11.017  -2.439   6.902
  137    H    ARG  22           H        ARG  22  15.030  -1.411   6.437
  138    HA   ARG  22           HA       ARG  22  15.323  -2.455   9.104
  139    HB2  ARG  22           HB2      ARG  22  16.905  -0.294   7.699
  140    HB3  ARG  22           HB3      ARG  22  17.368  -1.122   9.180
  141    HG2  ARG  22           HG2      ARG  22  16.829  -2.825   6.828
  142    HG3  ARG  22           HG3      ARG  22  18.277  -1.817   6.772
  143    HD2  ARG  22           HD2      ARG  22  17.746  -3.376   9.246
  144    HD3  ARG  22           HD3      ARG  22  18.302  -4.249   7.819
  145    HE   ARG  22           HE       ARG  22  19.988  -2.070   8.146
  146   HH11  ARG  22          HH11      ARG  22  19.114  -4.952   9.893
  147   HH12  ARG  22          HH12      ARG  22  20.656  -5.107  10.668
  148   HH21  ARG  22          HH21      ARG  22  22.022  -2.264   9.160
  149   HH22  ARG  22          HH22      ARG  22  22.309  -3.577  10.251
  150    H    SER  23           H        SER  23  14.840  -1.491  10.995
  151    HA   SER  23           HA       SER  23  13.123   0.805  10.959
  152    HB2  SER  23           HB2      SER  23  12.865  -1.143  12.533
  153    HB3  SER  23           HB3      SER  23  14.307  -0.578  13.375
  154    HG   SER  23           HG       SER  23  11.773   0.632  13.180
  155    H    ASP  24           H        ASP  24  16.410   0.489  10.851
  156    HA   ASP  24           HA       ASP  24  17.131   2.651  12.610
  157    HB2  ASP  24           HB2      ASP  24  18.601   0.912  10.662
  158    HB3  ASP  24           HB3      ASP  24  19.357   2.393  11.245
  159    H    TRP  25           H        TRP  25  17.327   2.221   9.071
  160    HA   TRP  25           HA       TRP  25  17.331   5.136   8.774
  161    HB2  TRP  25           HB2      TRP  25  18.249   2.856   7.080
  162    HB3  TRP  25           HB3      TRP  25  17.753   4.343   6.277
  163    HD1  TRP  25           HD1      TRP  25  19.946   3.732   9.434
  164    HE1  TRP  25           HE1      TRP  25  22.119   5.081   9.150
  165    HE3  TRP  25           HE3      TRP  25  19.067   5.723   4.808
  166    HZ2  TRP  25           HZ2      TRP  25  23.304   6.767   7.221
  167    HZ3  TRP  25           HZ3      TRP  25  20.770   7.194   3.815
  168    HH2  TRP  25           HH2      TRP  25  22.844   7.705   4.998
  169    H    LYS  26           H        LYS  26  15.220   2.531   8.645
  170    HA   LYS  26           HA       LYS  26  13.046   2.312   8.009
  171    HB2  LYS  26           HB2      LYS  26  13.069   5.261   7.374
  172    HB3  LYS  26           HB3      LYS  26  11.690   4.263   7.819
  173    HG2  LYS  26           HG2      LYS  26  12.606   3.993  10.066
  174    HG3  LYS  26           HG3      LYS  26  13.992   4.991   9.620
  175    HD2  LYS  26           HD2      LYS  26  12.610   6.911   9.327
  176    HD3  LYS  26           HD3      LYS  26  11.138   5.946   9.461
  177    HE2  LYS  26           HE2      LYS  26  11.967   5.348  11.806
  178    HE3  LYS  26           HE3      LYS  26  13.106   6.680  11.609
  179    HZ1  LYS  26           HZ1      LYS  26  10.803   7.839  10.899
  180    HZ2  LYS  26           HZ2      LYS  26  11.438   7.881  12.466
  181    HZ3  LYS  26           HZ3      LYS  26  10.250   6.745  12.066
  182    H    TYR  27           H        TYR  27  14.684   1.435   6.148
  183    HA   TYR  27           HA       TYR  27  13.290   2.062   3.685
  184    HB2  TYR  27           HB2      TYR  27  15.148   2.713   2.405
  185    HB3  TYR  27           HB3      TYR  27  15.332   3.613   3.907
  186    HD1  TYR  27           HD2      TYR  27  16.616   1.962   5.766
  187    HD2  TYR  27           HD1      TYR  27  17.163   2.014   1.546
  188    HE1  TYR  27           HE2      TYR  27  18.874   1.030   6.053
  189    HE2  TYR  27           HE1      TYR  27  19.422   1.081   1.822
  190    HH   TYR  27           HH       TYR  27  21.197   1.178   4.018
  191    H    CYS  28           H        CYS  28  13.606   0.476   2.032
  192    HA   CYS  28           HA       CYS  28  13.828  -2.160   3.026
  193    HB2  CYS  28           HB2      CYS  28  13.539  -0.947   0.304
  194    HB3  CYS  28           HB3      CYS  28  13.917  -2.661   0.448
  195    H    ALA  29           H        ALA  29  15.368  -3.779   2.542
  196    HA   ALA  29           HA       ALA  29  17.980  -2.818   1.597
  197    HB1  ALA  29           HB1      ALA  29  18.966  -4.360   3.410
  198    HB2  ALA  29           HB2      ALA  29  18.355  -2.777   3.892
  199    HB3  ALA  29           HB3      ALA  29  17.383  -4.221   4.176
  200    H    TRP  30           H        TRP  30  19.162  -4.265   0.413
  201    HA   TRP  30           HA       TRP  30  17.748  -6.460  -0.739
  202    HB2  TRP  30           HB2      TRP  30  20.343  -5.112  -1.158
  203    HB3  TRP  30           HB3      TRP  30  20.297  -6.816  -1.604
  204    HD1  TRP  30           HD1      TRP  30  20.093  -3.773  -3.322
  205    HE1  TRP  30           HE1      TRP  30  18.530  -3.845  -5.365
  206    HE3  TRP  30           HE3      TRP  30  17.454  -7.999  -2.176
  207    HZ2  TRP  30           HZ2      TRP  30  16.453  -5.477  -6.359
  208    HZ3  TRP  30           HZ3      TRP  30  15.696  -8.748  -3.725
  209    HH2  TRP  30           HH2      TRP  30  15.207  -7.511  -5.773
  210    H    ASP  31           H        ASP  31  18.777  -8.657  -0.925
  211    HA   ASP  31           HA       ASP  31  19.268 -10.626   0.114
  212    HB2  ASP  31           HB2      ASP  31  21.365  -9.049   1.606
  213    HB3  ASP  31           HB3      ASP  31  21.408 -10.752   1.158
  214    H    GLY  32           H        GLY  32  17.269  -8.925   1.379
  215    HA2  GLY  32           HA2      GLY  32  15.978  -8.945   3.277
  216    HA3  GLY  32           HA3      GLY  32  16.863 -10.388   3.749
  217    H    THR  33           H        THR  33  16.783  -9.676   5.932
  218    HA   THR  33           HA       THR  33  17.868  -7.195   6.776
  219    HB   THR  33           HB       THR  33  17.544  -9.735   8.385
  220    HG1  THR  33           HG1      THR  33  15.515  -8.963   8.866
  221   HG21  THR  33          HG21      THR  33  17.390  -8.117  10.295
  222   HG22  THR  33          HG22      THR  33  17.921  -6.851   9.187
  223   HG23  THR  33          HG23      THR  33  18.983  -8.213   9.545
  224    H    PHE  34           H        PHE  34  19.861  -6.701   7.671
  225    HA   PHE  34           HA       PHE  34  22.042  -8.430   6.806
  226    HB2  PHE  34           HB2      PHE  34  21.853  -5.563   7.677
  227    HB3  PHE  34           HB3      PHE  34  23.411  -6.381   7.650
  228    HD1  PHE  34           HD1      PHE  34  20.436  -5.999   5.425
  229    HD2  PHE  34           HD2      PHE  34  24.677  -6.087   5.769
  230    HE1  PHE  34           HE1      PHE  34  20.637  -5.524   3.020
  231    HE2  PHE  34           HE2      PHE  34  24.885  -5.612   3.363
  232    HZ   PHE  34           HZ       PHE  34  22.864  -5.331   1.985
  233    H    SER  35           H        SER  35  21.954 -10.084   8.340
  234    HA   SER  35           HA       SER  35  22.076  -9.481  11.158
  235    HB2  SER  35           HB2      SER  35  21.035 -11.571   9.935
  236    HB3  SER  35           HB3      SER  35  22.677 -12.202  10.059
  237    HG   SER  35           HG       SER  35  21.181 -11.197  12.250
  Start of MODEL   14
    1    H1   GLU   1           H        GLU   1   1.349  -1.328   0.457
    2    HA   GLU   1           HA       GLU   1   1.614  -0.634  -2.291
    3    HB2  GLU   1           HB2      GLU   1   2.295   1.463  -0.227
    4    HB3  GLU   1           HB3      GLU   1   2.888   1.497  -1.882
    5    HG2  GLU   1           HG2      GLU   1  -0.040   1.392  -1.248
    6    HG3  GLU   1           HG3      GLU   1   0.850   2.911  -1.334
    7    H    CYS   2           H        CYS   2   3.798  -0.729  -3.030
    8    HA   CYS   2           HA       CYS   2   5.742  -1.712  -1.057
    9    HB2  CYS   2           HB2      CYS   2   5.394  -2.947  -3.790
   10    HB3  CYS   2           HB3      CYS   2   6.407  -3.525  -2.471
   11    H    ARG   3           H        ARG   3   7.902  -1.268  -1.502
   12    HA   ARG   3           HA       ARG   3   8.467   0.349  -3.884
   13    HB2  ARG   3           HB2      ARG   3   9.548   1.126  -1.186
   14    HB3  ARG   3           HB3      ARG   3   9.520   2.072  -2.668
   15    HG2  ARG   3           HG2      ARG   3   6.867   1.651  -2.246
   16    HG3  ARG   3           HG3      ARG   3   7.482   1.754  -0.595
   17    HD2  ARG   3           HD2      ARG   3   8.734   3.855  -1.477
   18    HD3  ARG   3           HD3      ARG   3   7.538   3.804  -2.772
   19    HE   ARG   3           HE       ARG   3   6.168   3.626  -0.356
   20   HH11  ARG   3          HH11      ARG   3   8.160   5.910  -2.069
   21   HH12  ARG   3          HH12      ARG   3   7.399   7.299  -1.367
   22   HH21  ARG   3          HH21      ARG   3   5.158   5.447   0.575
   23   HH22  ARG   3          HH22      ARG   3   5.692   7.034   0.137
   24    H    TYR   4           H        TYR   4  10.939   0.772  -3.989
   25    HA   TYR   4           HA       TYR   4  12.221  -1.829  -3.716
   26    HB2  TYR   4           HB2      TYR   4  14.090  -0.464  -4.988
   27    HB3  TYR   4           HB3      TYR   4  12.667  -1.055  -5.839
   28    HD1  TYR   4           HD2      TYR   4  14.277   1.928  -4.393
   29    HD2  TYR   4           HD1      TYR   4  11.046   0.460  -6.740
   30    HE1  TYR   4           HE2      TYR   4  13.763   4.224  -5.111
   31    HE2  TYR   4           HE1      TYR   4  10.524   2.751  -7.465
   32    HH   TYR   4           HH       TYR   4  12.620   5.330  -7.062
   33    H    LEU   5           H        LEU   5  14.812  -1.382  -3.429
   34    HA   LEU   5           HA       LEU   5  15.234  -1.048  -0.727
   35    HB2  LEU   5           HB2      LEU   5  16.776  -1.972  -2.583
   36    HB3  LEU   5           HB3      LEU   5  17.344  -0.310  -2.720
   37    HG   LEU   5           HG       LEU   5  17.428  -1.858  -0.140
   38   HD11  LEU   5          HD11      LEU   5  19.983  -1.831  -0.877
   39   HD12  LEU   5          HD12      LEU   5  19.246  -1.912  -2.477
   40   HD13  LEU   5          HD13      LEU   5  18.895  -3.159  -1.281
   41   HD21  LEU   5          HD21      LEU   5  19.296  -0.139   0.232
   42   HD22  LEU   5          HD22      LEU   5  17.626   0.419   0.329
   43   HD23  LEU   5          HD23      LEU   5  18.578   0.731  -1.124
   44    H    PHE   6           H        PHE   6  15.723   1.355  -3.303
   45    HA   PHE   6           HA       PHE   6  16.402   3.433  -1.441
   46    HB2  PHE   6           HB2      PHE   6  15.889   3.372  -4.408
   47    HB3  PHE   6           HB3      PHE   6  16.136   4.888  -3.547
   48    HD1  PHE   6           HD2      PHE   6  18.297   5.192  -2.259
   49    HD2  PHE   6           HD1      PHE   6  17.699   2.075  -5.094
   50    HE1  PHE   6           HE2      PHE   6  20.733   4.906  -2.453
   51    HE2  PHE   6           HE1      PHE   6  20.134   1.783  -5.292
   52    HZ   PHE   6           HZ       PHE   6  21.654   3.199  -3.970
   53    H    GLY   7           H        GLY   7  13.516   2.028  -2.416
   54    HA2  GLY   7           HA2      GLY   7  11.716   4.108  -2.691
   55    HA3  GLY   7           HA3      GLY   7  11.326   2.556  -1.965
   56    H    GLY   8           H        GLY   8  12.089   2.333   0.377
   57    HA2  GLY   8           HA2      GLY   8  12.587   3.473   2.451
   58    HA3  GLY   8           HA3      GLY   8  11.827   4.911   1.785
   59    H    CYS   9           H        CYS   9  11.410   2.875   4.152
   60    HA   CYS   9           HA       CYS   9   8.549   3.231   4.213
   61    HB2  CYS   9           HB2      CYS   9   8.211   0.741   4.733
   62    HB3  CYS   9           HB3      CYS   9   8.448   1.189   3.047
   63    H    SER  10           H        SER  10   7.721   1.937   6.301
   64    HA   SER  10           HA       SER  10   9.617   2.631   8.446
   65    HB2  SER  10           HB2      SER  10   7.754   3.184   9.842
   66    HB3  SER  10           HB3      SER  10   7.469   3.963   8.285
   67    HG   SER  10           HG       SER  10   5.809   2.438   9.510
   68    H    SER  11           H        SER  11   7.633   0.153   7.085
   69    HA   SER  11           HA       SER  11   8.548  -1.692   9.186
   70    HB2  SER  11           HB2      SER  11   6.024  -0.988   9.224
   71    HB3  SER  11           HB3      SER  11   5.886  -2.102   7.863
   72    HG   SER  11           HG       SER  11   5.893  -2.705  10.414
   73    H    THR  12           H        THR  12   8.511  -3.985   8.482
   74    HA   THR  12           HA       THR  12   9.827  -4.259   5.973
   75    HB   THR  12           HB       THR  12   9.846  -6.681   6.466
   76    HG1  THR  12           HG1      THR  12   8.404  -5.974   8.821
   77   HG21  THR  12          HG21      THR  12  10.593  -5.818   9.110
   78   HG22  THR  12          HG22      THR  12  11.097  -4.628   7.910
   79   HG23  THR  12          HG23      THR  12  11.621  -6.305   7.762
   80    H    SER  13           H        SER  13   6.545  -4.560   7.019
   81    HA   SER  13           HA       SER  13   5.517  -6.295   5.090
   82    HB2  SER  13           HB2      SER  13   4.327  -5.337   7.132
   83    HB3  SER  13           HB3      SER  13   4.035  -3.892   6.163
   84    HG   SER  13           HG       SER  13   2.829  -6.350   6.057
   85    H    ASP  14           H        ASP  14   6.641  -3.053   4.815
   86    HA   ASP  14           HA       ASP  14   5.210  -2.349   2.452
   87    HB2  ASP  14           HB2      ASP  14   7.564  -1.220   3.922
   88    HB3  ASP  14           HB3      ASP  14   7.198  -0.643   2.299
   89    H    CYS  15           H        CYS  15   8.385  -3.749   3.101
   90    HA   CYS  15           HA       CYS  15   9.306  -3.685   0.422
   91    HB2  CYS  15           HB2      CYS  15  10.128  -5.452   2.736
   92    HB3  CYS  15           HB3      CYS  15  10.997  -5.329   1.210
   93    H    CYS  16           H        CYS  16   8.439  -4.750  -1.221
   94    HA   CYS  16           HA       CYS  16   7.350  -7.445  -0.733
   95    HB2  CYS  16           HB2      CYS  16   6.449  -5.484  -2.853
   96    HB3  CYS  16           HB3      CYS  16   5.739  -7.058  -2.507
   97    H    LYS  17           H        LYS  17   9.734  -5.665  -2.264
   98    HA   LYS  17           HA       LYS  17  10.040  -7.523  -4.497
   99    HB2  LYS  17           HB2      LYS  17  10.485  -4.827  -4.294
  100    HB3  LYS  17           HB3      LYS  17  12.109  -5.474  -4.105
  101    HG2  LYS  17           HG2      LYS  17  12.042  -5.238  -6.365
  102    HG3  LYS  17           HG3      LYS  17  11.427  -6.886  -6.221
  103    HD2  LYS  17           HD2      LYS  17   9.104  -5.829  -6.161
  104    HD3  LYS  17           HD3      LYS  17   9.890  -4.349  -6.713
  105    HE2  LYS  17           HE2      LYS  17   9.079  -5.469  -8.645
  106    HE3  LYS  17           HE3      LYS  17  10.829  -5.680  -8.623
  107    HZ1  LYS  17           HZ1      LYS  17  10.510  -7.853  -8.713
  108    HZ2  LYS  17           HZ2      LYS  17   8.832  -7.653  -8.664
  109    HZ3  LYS  17           HZ3      LYS  17   9.706  -7.812  -7.225
  110    H    HIS  18           H        HIS  18  10.391  -8.604  -1.908
  111    HA   HIS  18           HA       HIS  18  11.794  -9.991  -0.776
  112    HB2  HIS  18           HB2      HIS  18  12.352 -10.578  -3.254
  113    HB3  HIS  18           HB3      HIS  18  13.851  -9.708  -2.944
  114    HD1  HIS  18           HD1      HIS  18  15.569 -11.479  -2.705
  115    HD2  HIS  18           HD2      HIS  18  12.100 -12.383  -0.604
  116    HE1  HIS  18           HE1      HIS  18  16.080 -13.591  -1.440
  117    H    LEU  19           H        LEU  19  11.878  -7.242  -0.184
  118    HA   LEU  19           HA       LEU  19  14.711  -6.878   0.542
  119    HB2  LEU  19           HB2      LEU  19  12.602  -4.754   0.180
  120    HB3  LEU  19           HB3      LEU  19  14.291  -4.481   0.601
  121    HG   LEU  19           HG       LEU  19  13.820  -5.932  -1.924
  122   HD11  LEU  19          HD11      LEU  19  13.286  -2.975  -1.786
  123   HD12  LEU  19          HD12      LEU  19  12.012  -4.191  -1.852
  124   HD13  LEU  19          HD13      LEU  19  13.154  -4.038  -3.187
  125   HD21  LEU  19          HD21      LEU  19  15.517  -3.511  -1.400
  126   HD22  LEU  19          HD22      LEU  19  15.724  -4.758  -2.629
  127   HD23  LEU  19          HD23      LEU  19  16.031  -5.132  -0.933
  128    H    SER  20           H        SER  20  15.035  -5.618   2.577
  129    HA   SER  20           HA       SER  20  12.949  -6.275   4.554
  130    HB2  SER  20           HB2      SER  20  14.665  -6.786   6.173
  131    HB3  SER  20           HB3      SER  20  14.995  -7.717   4.712
  132    HG   SER  20           HG       SER  20  16.587  -6.229   4.165
  133    H    CYS  21           H        CYS  21  12.078  -4.528   5.425
  134    HA   CYS  21           HA       CYS  21  13.307  -1.944   5.171
  135    HB2  CYS  21           HB2      CYS  21  10.751  -2.663   5.201
  136    HB3  CYS  21           HB3      CYS  21  10.937  -2.383   6.929
  137    H    ARG  22           H        ARG  22  14.945  -1.394   6.450
  138    HA   ARG  22           HA       ARG  22  15.244  -2.500   9.096
  139    HB2  ARG  22           HB2      ARG  22  16.867  -0.360   7.707
  140    HB3  ARG  22           HB3      ARG  22  17.320  -1.215   9.175
  141    HG2  ARG  22           HG2      ARG  22  16.725  -2.877   6.807
  142    HG3  ARG  22           HG3      ARG  22  18.195  -1.903   6.750
  143    HD2  ARG  22           HD2      ARG  22  17.644  -3.481   9.209
  144    HD3  ARG  22           HD3      ARG  22  18.176  -4.346   7.767
  145    HE   ARG  22           HE       ARG  22  19.900  -2.194   8.133
  146   HH11  ARG  22          HH11      ARG  22  19.002  -5.128   9.779
  147   HH12  ARG  22          HH12      ARG  22  20.551  -5.336  10.528
  148   HH21  ARG  22          HH21      ARG  22  21.943  -2.458   9.113
  149   HH22  ARG  22          HH22      ARG  22  22.222  -3.816  10.149
  150    H    SER  23           H        SER  23  14.798  -1.554  11.004
  151    HA   SER  23           HA       SER  23  13.136   0.783  11.014
  152    HB2  SER  23           HB2      SER  23  13.463   0.397  13.609
  153    HB3  SER  23           HB3      SER  23  12.455  -0.693  12.657
  154    HG   SER  23           HG       SER  23  13.851  -2.246  12.957
  155    H    ASP  24           H        ASP  24  16.413   0.392  10.873
  156    HA   ASP  24           HA       ASP  24  17.200   2.510  12.658
  157    HB2  ASP  24           HB2      ASP  24  18.717   0.636  12.172
  158    HB3  ASP  24           HB3      ASP  24  18.761   1.110  10.476
  159    H    TRP  25           H        TRP  25  17.356   2.129   9.112
  160    HA   TRP  25           HA       TRP  25  17.423   5.048   8.859
  161    HB2  TRP  25           HB2      TRP  25  18.280   2.776   7.123
  162    HB3  TRP  25           HB3      TRP  25  17.815   4.288   6.348
  163    HD1  TRP  25           HD1      TRP  25  20.005   3.579   9.487
  164    HE1  TRP  25           HE1      TRP  25  22.209   4.879   9.213
  165    HE3  TRP  25           HE3      TRP  25  19.160   5.648   4.889
  166    HZ2  TRP  25           HZ2      TRP  25  23.429   6.559   7.300
  167    HZ3  TRP  25           HZ3      TRP  25  20.896   7.090   3.908
  168    HH2  TRP  25           HH2      TRP  25  22.985   7.535   5.090
  169    H    LYS  26           H        LYS  26  15.255   2.491   8.706
  170    HA   LYS  26           HA       LYS  26  13.074   2.329   8.081
  171    HB2  LYS  26           HB2      LYS  26  13.179   5.291   7.509
  172    HB3  LYS  26           HB3      LYS  26  11.762   4.323   7.896
  173    HG2  LYS  26           HG2      LYS  26  12.717   3.921  10.149
  174    HG3  LYS  26           HG3      LYS  26  14.034   5.024   9.744
  175    HD2  LYS  26           HD2      LYS  26  11.210   5.937   9.420
  176    HD3  LYS  26           HD3      LYS  26  11.921   5.885  11.035
  177    HE2  LYS  26           HE2      LYS  26  13.227   7.273   8.705
  178    HE3  LYS  26           HE3      LYS  26  12.111   8.084   9.803
  179    HZ1  LYS  26           HZ1      LYS  26  14.649   6.761  10.598
  180    HZ2  LYS  26           HZ2      LYS  26  13.585   7.564  11.638
  181    HZ3  LYS  26           HZ3      LYS  26  14.417   8.430  10.447
  182    H    TYR  27           H        TYR  27  14.681   1.443   6.197
  183    HA   TYR  27           HA       TYR  27  13.287   2.135   3.752
  184    HB2  TYR  27           HB2      TYR  27  15.152   2.763   2.470
  185    HB3  TYR  27           HB3      TYR  27  15.364   3.637   3.983
  186    HD1  TYR  27           HD2      TYR  27  16.620   1.930   5.811
  187    HD2  TYR  27           HD1      TYR  27  17.148   2.036   1.590
  188    HE1  TYR  27           HE2      TYR  27  18.858   0.943   6.072
  189    HE2  TYR  27           HE1      TYR  27  19.386   1.049   1.840
  190    HH   TYR  27           HH       TYR  27  20.431  -0.496   4.486
  191    H    CYS  28           H        CYS  28  13.573   0.570   2.067
  192    HA   CYS  28           HA       CYS  28  13.736  -2.086   3.025
  193    HB2  CYS  28           HB2      CYS  28  13.462  -0.828   0.320
  194    HB3  CYS  28           HB3      CYS  28  13.800  -2.552   0.440
  195    H    ALA  29           H        ALA  29  15.237  -3.732   2.503
  196    HA   ALA  29           HA       ALA  29  17.865  -2.815   1.559
  197    HB1  ALA  29           HB1      ALA  29  17.233  -4.189   4.137
  198    HB2  ALA  29           HB2      ALA  29  18.794  -4.445   3.356
  199    HB3  ALA  29           HB3      ALA  29  18.300  -2.819   3.828
  200    H    TRP  30           H        TRP  30  19.013  -4.275   0.356
  201    HA   TRP  30           HA       TRP  30  17.538  -6.437  -0.800
  202    HB2  TRP  30           HB2      TRP  30  20.133  -5.105  -1.271
  203    HB3  TRP  30           HB3      TRP  30  20.061  -6.803  -1.734
  204    HD1  TRP  30           HD1      TRP  30  19.838  -3.740  -3.413
  205    HE1  TRP  30           HE1      TRP  30  18.222  -3.777  -5.416
  206    HE3  TRP  30           HE3      TRP  30  17.195  -7.958  -2.245
  207    HZ2  TRP  30           HZ2      TRP  30  16.106  -5.382  -6.374
  208    HZ3  TRP  30           HZ3      TRP  30  15.392  -8.676  -3.756
  209    HH2  TRP  30           HH2      TRP  30  14.860  -7.413  -5.777
  210    H    ASP  31           H        ASP  31  18.545  -8.640  -1.034
  211    HA   ASP  31           HA       ASP  31  19.088 -10.621  -0.051
  212    HB2  ASP  31           HB2      ASP  31  21.141  -9.077   1.529
  213    HB3  ASP  31           HB3      ASP  31  21.221 -10.750   0.982
  214    H    GLY  32           H        GLY  32  17.060  -8.955   1.237
  215    HA2  GLY  32           HA2      GLY  32  15.751  -9.027   3.121
  216    HA3  GLY  32           HA3      GLY  32  16.622 -10.491   3.552
  217    H    THR  33           H        THR  33  16.477  -9.816   5.759
  218    HA   THR  33           HA       THR  33  17.630  -7.383   6.672
  219    HB   THR  33           HB       THR  33  17.521  -8.419   8.928
  220    HG1  THR  33           HG1      THR  33  17.669 -10.539   8.871
  221   HG21  THR  33          HG21      THR  33  15.043  -8.737   7.231
  222   HG22  THR  33          HG22      THR  33  15.567  -7.267   8.053
  223   HG23  THR  33          HG23      THR  33  15.068  -8.673   8.992
  224    H    PHE  34           H        PHE  34  19.545  -7.148   7.973
  225    HA   PHE  34           HA       PHE  34  21.668  -9.026   7.178
  226    HB2  PHE  34           HB2      PHE  34  21.746  -6.068   7.766
  227    HB3  PHE  34           HB3      PHE  34  23.202  -7.052   7.665
  228    HD1  PHE  34           HD2      PHE  34  22.962  -8.723   5.439
  229    HD2  PHE  34           HD1      PHE  34  21.441  -4.775   5.908
  230    HE1  PHE  34           HE2      PHE  34  22.995  -8.423   2.997
  231    HE2  PHE  34           HE1      PHE  34  21.470  -4.470   3.467
  232    HZ   PHE  34           HZ       PHE  34  22.249  -6.295   2.008
  233    H    SER  35           H        SER  35  22.986  -9.915   8.693
  234    HA   SER  35           HA       SER  35  22.061  -9.985  11.386
  235    HB2  SER  35           HB2      SER  35  24.729 -11.005  10.407
  236    HB3  SER  35           HB3      SER  35  23.781 -11.587  11.775
  237    HG   SER  35           HG       SER  35  23.479 -12.081   9.055
  Start of MODEL   15
    1    H1   GLU   1           H        GLU   1   1.006  -0.790   0.272
    2    HA   GLU   1           HA       GLU   1   2.117   0.214  -2.197
    3    HB2  GLU   1           HB2      GLU   1   1.965   1.201   0.624
    4    HB3  GLU   1           HB3      GLU   1   3.126   1.927  -0.479
    5    HG2  GLU   1           HG2      GLU   1   0.187   1.713  -1.071
    6    HG3  GLU   1           HG3      GLU   1   0.930   3.109  -0.293
    7    H    CYS   2           H        CYS   2   3.562  -1.520  -2.693
    8    HA   CYS   2           HA       CYS   2   5.820  -1.942  -0.904
    9    HB2  CYS   2           HB2      CYS   2   5.374  -3.185  -3.619
   10    HB3  CYS   2           HB3      CYS   2   6.429  -3.761  -2.333
   11    H    ARG   3           H        ARG   3   7.942  -1.439  -1.386
   12    HA   ARG   3           HA       ARG   3   8.444   0.115  -3.823
   13    HB2  ARG   3           HB2      ARG   3   9.536   0.997  -1.160
   14    HB3  ARG   3           HB3      ARG   3   9.484   1.894  -2.672
   15    HG2  ARG   3           HG2      ARG   3   6.840   1.442  -2.218
   16    HG3  ARG   3           HG3      ARG   3   7.465   1.613  -0.576
   17    HD2  ARG   3           HD2      ARG   3   8.682   3.699  -1.567
   18    HD3  ARG   3           HD3      ARG   3   7.444   3.588  -2.817
   19    HE   ARG   3           HE       ARG   3   6.275   3.490  -0.239
   20   HH11  ARG   3          HH11      ARG   3   7.745   5.680  -2.511
   21   HH12  ARG   3          HH12      ARG   3   6.886   7.068  -1.929
   22   HH21  ARG   3          HH21      ARG   3   5.138   5.309   0.536
   23   HH22  ARG   3          HH22      ARG   3   5.404   6.855  -0.195
   24    H    TYR   4           H        TYR   4  10.905   0.583  -3.975
   25    HA   TYR   4           HA       TYR   4  12.242  -1.982  -3.643
   26    HB2  TYR   4           HB2      TYR   4  14.071  -0.615  -4.970
   27    HB3  TYR   4           HB3      TYR   4  12.651  -1.256  -5.790
   28    HD1  TYR   4           HD2      TYR   4  14.212   1.796  -4.435
   29    HD2  TYR   4           HD1      TYR   4  10.996   0.202  -6.718
   30    HE1  TYR   4           HE2      TYR   4  13.646   4.061  -5.207
   31    HE2  TYR   4           HE1      TYR   4  10.421   2.463  -7.498
   32    HH   TYR   4           HH       TYR   4  11.534   5.235  -6.074
   33    H    LEU   5           H        LEU   5  14.826  -1.477  -3.395
   34    HA   LEU   5           HA       LEU   5  15.267  -1.061  -0.707
   35    HB2  LEU   5           HB2      LEU   5  16.819  -2.054  -2.466
   36    HB3  LEU   5           HB3      LEU   5  17.306  -0.395  -2.812
   37    HG   LEU   5           HG       LEU   5  17.515  -1.484  -0.029
   38   HD11  LEU   5          HD11      LEU   5  19.520  -1.863  -2.248
   39   HD12  LEU   5          HD12      LEU   5  18.638  -3.130  -1.397
   40   HD13  LEU   5          HD13      LEU   5  19.828  -2.155  -0.536
   41   HD21  LEU   5          HD21      LEU   5  19.631   0.117  -0.414
   42   HD22  LEU   5          HD22      LEU   5  18.060   0.704   0.132
   43   HD23  LEU   5          HD23      LEU   5  18.507   0.833  -1.570
   44    H    PHE   6           H        PHE   6  15.689   1.275  -3.355
   45    HA   PHE   6           HA       PHE   6  16.347   3.417  -1.557
   46    HB2  PHE   6           HB2      PHE   6  15.717   3.370  -4.512
   47    HB3  PHE   6           HB3      PHE   6  16.174   4.826  -3.635
   48    HD1  PHE   6           HD1      PHE   6  17.344   1.445  -4.587
   49    HD2  PHE   6           HD2      PHE   6  18.422   5.335  -3.240
   50    HE1  PHE   6           HE1      PHE   6  19.718   0.908  -4.949
   51    HE2  PHE   6           HE2      PHE   6  20.798   4.805  -3.600
   52    HZ   PHE   6           HZ       PHE   6  21.448   2.590  -4.456
   53    H    GLY   7           H        GLY   7  13.484   1.927  -2.432
   54    HA2  GLY   7           HA2      GLY   7  11.645   3.972  -2.767
   55    HA3  GLY   7           HA3      GLY   7  11.286   2.433  -1.999
   56    H    GLY   8           H        GLY   8  12.068   2.284   0.343
   57    HA2  GLY   8           HA2      GLY   8  12.570   3.500   2.378
   58    HA3  GLY   8           HA3      GLY   8  11.754   4.893   1.683
   59    H    CYS   9           H        CYS   9  11.438   2.886   4.101
   60    HA   CYS   9           HA       CYS   9   8.568   3.163   4.202
   61    HB2  CYS   9           HB2      CYS   9   8.306   0.680   4.773
   62    HB3  CYS   9           HB3      CYS   9   8.519   1.094   3.075
   63    H    SER  10           H        SER  10   7.813   1.888   6.328
   64    HA   SER  10           HA       SER  10   9.727   2.666   8.429
   65    HB2  SER  10           HB2      SER  10   7.788   3.078   9.873
   66    HB3  SER  10           HB3      SER  10   7.675   4.032   8.395
   67    HG   SER  10           HG       SER  10   6.110   2.697   7.642
   68    H    SER  11           H        SER  11   7.762   0.134   7.148
   69    HA   SER  11           HA       SER  11   8.717  -1.650   9.284
   70    HB2  SER  11           HB2      SER  11   6.186  -0.989   9.323
   71    HB3  SER  11           HB3      SER  11   6.057  -2.123   7.979
   72    HG   SER  11           HG       SER  11   5.804  -3.447   9.636
   73    H    THR  12           H        THR  12   8.744  -3.950   8.637
   74    HA   THR  12           HA       THR  12  10.041  -4.260   6.124
   75    HB   THR  12           HB       THR  12   9.997  -6.716   6.691
   76    HG1  THR  12           HG1      THR  12   8.248  -6.967   7.991
   77   HG21  THR  12          HG21      THR  12  11.214  -6.090   9.063
   78   HG22  THR  12          HG22      THR  12  11.269  -4.553   8.201
   79   HG23  THR  12          HG23      THR  12  11.976  -5.996   7.476
   80    H    SER  13           H        SER  13   6.776  -4.612   7.206
   81    HA   SER  13           HA       SER  13   5.780  -6.415   5.318
   82    HB2  SER  13           HB2      SER  13   4.477  -5.684   7.261
   83    HB3  SER  13           HB3      SER  13   4.379  -4.053   6.597
   84    HG   SER  13           HG       SER  13   2.942  -4.705   5.155
   85    H    ASP  14           H        ASP  14   6.820  -3.155   4.978
   86    HA   ASP  14           HA       ASP  14   5.334  -2.515   2.629
   87    HB2  ASP  14           HB2      ASP  14   7.624  -1.307   4.109
   88    HB3  ASP  14           HB3      ASP  14   7.365  -0.807   2.440
   89    H    CYS  15           H        CYS  15   8.549  -3.838   3.244
   90    HA   CYS  15           HA       CYS  15   9.419  -3.796   0.545
   91    HB2  CYS  15           HB2      CYS  15  10.330  -5.519   2.859
   92    HB3  CYS  15           HB3      CYS  15  11.173  -5.364   1.322
   93    H    CYS  16           H        CYS  16   8.478  -4.883  -1.046
   94    HA   CYS  16           HA       CYS  16   7.507  -7.612  -0.498
   95    HB2  CYS  16           HB2      CYS  16   6.468  -5.736  -2.629
   96    HB3  CYS  16           HB3      CYS  16   5.798  -7.299  -2.171
   97    H    LYS  17           H        LYS  17   9.782  -5.779  -2.123
   98    HA   LYS  17           HA       LYS  17  10.058  -7.637  -4.359
   99    HB2  LYS  17           HB2      LYS  17  11.268  -4.976  -3.681
  100    HB3  LYS  17           HB3      LYS  17  12.024  -6.011  -4.884
  101    HG2  LYS  17           HG2      LYS  17   9.130  -5.237  -5.045
  102    HG3  LYS  17           HG3      LYS  17  10.416  -4.233  -5.719
  103    HD2  LYS  17           HD2      LYS  17  10.177  -7.145  -6.410
  104    HD3  LYS  17           HD3      LYS  17   9.252  -5.915  -7.275
  105    HE2  LYS  17           HE2      LYS  17  11.312  -4.779  -7.894
  106    HE3  LYS  17           HE3      LYS  17  12.255  -5.954  -6.979
  107    HZ1  LYS  17           HZ1      LYS  17  12.408  -6.942  -8.976
  108    HZ2  LYS  17           HZ2      LYS  17  11.015  -6.205  -9.590
  109    HZ3  LYS  17           HZ3      LYS  17  10.882  -7.564  -8.592
  110    H    HIS  18           H        HIS  18  10.526  -8.699  -1.781
  111    HA   HIS  18           HA       HIS  18  12.003 -10.045  -0.693
  112    HB2  HIS  18           HB2      HIS  18  13.827  -9.679  -3.073
  113    HB3  HIS  18           HB3      HIS  18  13.817 -11.016  -1.927
  114    HD1  HIS  18           HD1      HIS  18  12.971 -10.474  -5.240
  115    HD2  HIS  18           HD2      HIS  18  10.905 -12.169  -2.059
  116    HE1  HIS  18           HE1      HIS  18  11.196 -11.916  -6.284
  117    H    LEU  19           H        LEU  19  12.025  -7.385   0.020
  118    HA   LEU  19           HA       LEU  19  14.871  -6.942   0.637
  119    HB2  LEU  19           HB2      LEU  19  12.759  -4.829   0.236
  120    HB3  LEU  19           HB3      LEU  19  14.451  -4.546   0.641
  121    HG   LEU  19           HG       LEU  19  14.004  -6.064  -1.838
  122   HD11  LEU  19          HD11      LEU  19  12.161  -4.241  -1.656
  123   HD12  LEU  19          HD12      LEU  19  13.102  -4.389  -3.140
  124   HD13  LEU  19          HD13      LEU  19  13.490  -3.125  -1.973
  125   HD21  LEU  19          HD21      LEU  19  15.867  -4.862  -2.580
  126   HD22  LEU  19          HD22      LEU  19  16.181  -5.135  -0.866
  127   HD23  LEU  19          HD23      LEU  19  15.605  -3.561  -1.419
  128    H    SER  20           H        SER  20  15.176  -5.583   2.632
  129    HA   SER  20           HA       SER  20  13.112  -6.223   4.637
  130    HB2  SER  20           HB2      SER  20  14.630  -7.411   5.777
  131    HB3  SER  20           HB3      SER  20  15.836  -7.074   4.536
  132    HG   SER  20           HG       SER  20  16.450  -5.248   5.651
  133    H    CYS  21           H        CYS  21  12.276  -4.508   5.606
  134    HA   CYS  21           HA       CYS  21  13.448  -1.898   5.227
  135    HB2  CYS  21           HB2      CYS  21  10.902  -2.650   5.307
  136    HB3  CYS  21           HB3      CYS  21  11.106  -2.325   7.025
  137    H    ARG  22           H        ARG  22  14.903  -1.038   6.539
  138    HA   ARG  22           HA       ARG  22  15.328  -2.172   9.183
  139    HB2  ARG  22           HB2      ARG  22  16.868  -0.009   7.737
  140    HB3  ARG  22           HB3      ARG  22  17.359  -0.815   9.221
  141    HG2  ARG  22           HG2      ARG  22  16.815  -2.520   6.861
  142    HG3  ARG  22           HG3      ARG  22  18.275  -1.530   6.839
  143    HD2  ARG  22           HD2      ARG  22  17.690  -3.096   9.294
  144    HD3  ARG  22           HD3      ARG  22  18.242  -3.974   7.868
  145    HE   ARG  22           HE       ARG  22  19.919  -1.755   8.341
  146   HH11  ARG  22          HH11      ARG  22  19.151  -4.904   9.612
  147   HH12  ARG  22          HH12      ARG  22  20.724  -5.158  10.291
  148   HH21  ARG  22          HH21      ARG  22  21.995  -2.078   9.230
  149   HH22  ARG  22          HH22      ARG  22  22.341  -3.549  10.074
  150    H    SER  23           H        SER  23  14.865  -1.195  11.073
  151    HA   SER  23           HA       SER  23  13.121   1.082  11.040
  152    HB2  SER  23           HB2      SER  23  12.579   0.494  13.179
  153    HB3  SER  23           HB3      SER  23  13.320  -1.032  12.697
  154    HG   SER  23           HG       SER  23  14.729  -0.698  14.203
  155    H    ASP  24           H        ASP  24  16.408   0.802  10.884
  156    HA   ASP  24           HA       ASP  24  17.079   3.049  12.582
  157    HB2  ASP  24           HB2      ASP  24  18.650   1.233  10.772
  158    HB3  ASP  24           HB3      ASP  24  19.369   2.708  11.414
  159    H    TRP  25           H        TRP  25  17.428   2.375   9.094
  160    HA   TRP  25           HA       TRP  25  17.545   5.246   8.578
  161    HB2  TRP  25           HB2      TRP  25  18.256   2.790   7.033
  162    HB3  TRP  25           HB3      TRP  25  17.867   4.260   6.143
  163    HD1  TRP  25           HD1      TRP  25  20.184   3.389   9.149
  164    HE1  TRP  25           HE1      TRP  25  22.405   4.646   8.814
  165    HE3  TRP  25           HE3      TRP  25  19.089   5.822   4.789
  166    HZ2  TRP  25           HZ2      TRP  25  23.542   6.433   6.948
  167    HZ3  TRP  25           HZ3      TRP  25  20.797   7.287   3.794
  168    HH2  TRP  25           HH2      TRP  25  22.977   7.585   4.853
  169    H    LYS  26           H        LYS  26  15.282   2.739   8.608
  170    HA   LYS  26           HA       LYS  26  13.090   2.615   8.016
  171    HB2  LYS  26           HB2      LYS  26  13.257   5.535   7.280
  172    HB3  LYS  26           HB3      LYS  26  11.834   4.628   7.775
  173    HG2  LYS  26           HG2      LYS  26  13.026   4.293  10.002
  174    HG3  LYS  26           HG3      LYS  26  14.139   5.550   9.457
  175    HD2  LYS  26           HD2      LYS  26  12.575   6.779  10.632
  176    HD3  LYS  26           HD3      LYS  26  11.955   6.892   8.983
  177    HE2  LYS  26           HE2      LYS  26  10.252   5.348   9.394
  178    HE3  LYS  26           HE3      LYS  26  11.046   4.717  10.835
  179    HZ1  LYS  26           HZ1      LYS  26  10.419   7.513  11.016
  180    HZ2  LYS  26           HZ2      LYS  26  10.100   6.263  12.109
  181    HZ3  LYS  26           HZ3      LYS  26   9.047   6.543  10.815
  182    H    TYR  27           H        TYR  27  14.744   1.659   6.148
  183    HA   TYR  27           HA       TYR  27  13.289   2.194   3.699
  184    HB2  TYR  27           HB2      TYR  27  15.096   2.842   2.361
  185    HB3  TYR  27           HB3      TYR  27  15.343   3.758   3.843
  186    HD1  TYR  27           HD2      TYR  27  16.659   2.043   5.665
  187    HD2  TYR  27           HD1      TYR  27  17.105   2.203   1.437
  188    HE1  TYR  27           HE2      TYR  27  18.921   1.101   5.874
  189    HE2  TYR  27           HE1      TYR  27  19.368   1.260   1.634
  190    HH   TYR  27           HH       TYR  27  20.490  -0.315   4.175
  191    H    CYS  28           H        CYS  28  13.609   0.565   2.078
  192    HA   CYS  28           HA       CYS  28  13.832  -2.039   3.139
  193    HB2  CYS  28           HB2      CYS  28  13.591  -0.907   0.375
  194    HB3  CYS  28           HB3      CYS  28  13.944  -2.619   0.584
  195    H    ALA  29           H        ALA  29  15.312  -3.731   2.231
  196    HA   ALA  29           HA       ALA  29  17.948  -2.777   1.447
  197    HB1  ALA  29           HB1      ALA  29  18.335  -2.681   3.741
  198    HB2  ALA  29           HB2      ALA  29  17.377  -4.127   4.061
  199    HB3  ALA  29           HB3      ALA  29  18.954  -4.268   3.284
  200    H    TRP  30           H        TRP  30  19.090  -4.240   0.257
  201    HA   TRP  30           HA       TRP  30  17.660  -6.473  -0.800
  202    HB2  TRP  30           HB2      TRP  30  20.232  -5.118  -1.327
  203    HB3  TRP  30           HB3      TRP  30  20.184  -6.832  -1.732
  204    HD1  TRP  30           HD1      TRP  30  19.908  -3.828  -3.510
  205    HE1  TRP  30           HE1      TRP  30  18.286  -3.956  -5.505
  206    HE3  TRP  30           HE3      TRP  30  17.335  -8.045  -2.194
  207    HZ2  TRP  30           HZ2      TRP  30  16.192  -5.624  -6.401
  208    HZ3  TRP  30           HZ3      TRP  30  15.537  -8.840  -3.674
  209    HH2  TRP  30           HH2      TRP  30  14.979  -7.653  -5.733
  210    H    ASP  31           H        ASP  31  18.700  -8.667  -0.962
  211    HA   ASP  31           HA       ASP  31  19.266 -10.604   0.094
  212    HB2  ASP  31           HB2      ASP  31  21.332  -8.945   1.543
  213    HB3  ASP  31           HB3      ASP  31  21.411 -10.660   1.146
  214    H    GLY  32           H        GLY  32  17.240  -8.913   1.346
  215    HA2  GLY  32           HA2      GLY  32  16.015  -8.803   3.285
  216    HA3  GLY  32           HA3      GLY  32  16.739 -10.360   3.661
  217    H    THR  33           H        THR  33  16.760  -9.792   5.881
  218    HA   THR  33           HA       THR  33  18.022  -7.496   6.914
  219    HB   THR  33           HB       THR  33  18.007 -10.052   8.470
  220    HG1  THR  33           HG1      THR  33  15.695  -9.293   8.926
  221   HG21  THR  33          HG21      THR  33  18.080  -7.185   8.986
  222   HG22  THR  33          HG22      THR  33  18.546  -8.532  10.025
  223   HG23  THR  33          HG23      THR  33  16.861  -8.021   9.946
  224    H    PHE  34           H        PHE  34  20.027  -7.394   8.135
  225    HA   PHE  34           HA       PHE  34  22.090  -9.201   7.057
  226    HB2  PHE  34           HB2      PHE  34  22.216  -6.234   7.600
  227    HB3  PHE  34           HB3      PHE  34  23.653  -7.219   7.346
  228    HD1  PHE  34           HD2      PHE  34  23.590  -8.693   5.157
  229    HD2  PHE  34           HD1      PHE  34  21.287  -5.171   5.793
  230    HE1  PHE  34           HE2      PHE  34  23.353  -8.414   2.724
  231    HE2  PHE  34           HE1      PHE  34  21.045  -4.887   3.361
  232    HZ   PHE  34           HZ       PHE  34  22.080  -6.508   1.823
  233    H    SER  35           H        SER  35  21.978 -10.584   8.848
  234    HA   SER  35           HA       SER  35  22.600  -9.449  11.471
  235    HB2  SER  35           HB2      SER  35  21.525 -12.086  10.531
  236    HB3  SER  35           HB3      SER  35  22.282 -11.969  12.119
  237    HG   SER  35           HG       SER  35  19.823 -11.222  11.378
  Start of MODEL   16
    1    H1   GLU   1           H        GLU   1   0.632  -1.203  -0.601
    2    HA   GLU   1           HA       GLU   1   2.188   0.226  -2.501
    3    HB2  GLU   1           HB2      GLU   1   1.704   0.542   0.451
    4    HB3  GLU   1           HB3      GLU   1   2.840   1.577  -0.403
    5    HG2  GLU   1           HG2      GLU   1   0.764   2.721  -0.273
    6    HG3  GLU   1           HG3      GLU   1   0.995   2.216  -1.946
    7    H    CYS   2           H        CYS   2   3.755  -1.339  -3.152
    8    HA   CYS   2           HA       CYS   2   5.844  -1.900  -1.159
    9    HB2  CYS   2           HB2      CYS   2   5.521  -3.207  -3.863
   10    HB3  CYS   2           HB3      CYS   2   6.532  -3.743  -2.525
   11    H    ARG   3           H        ARG   3   7.965  -1.346  -1.530
   12    HA   ARG   3           HA       ARG   3   8.551   0.176  -3.974
   13    HB2  ARG   3           HB2      ARG   3   9.545   1.028  -1.259
   14    HB3  ARG   3           HB3      ARG   3   9.610   1.926  -2.770
   15    HG2  ARG   3           HG2      ARG   3   6.904   1.431  -2.355
   16    HG3  ARG   3           HG3      ARG   3   7.545   1.848  -0.764
   17    HD2  ARG   3           HD2      ARG   3   8.573   3.869  -1.758
   18    HD3  ARG   3           HD3      ARG   3   7.813   3.464  -3.296
   19    HE   ARG   3           HE       ARG   3   5.946   3.648  -1.128
   20   HH11  ARG   3          HH11      ARG   3   7.707   5.452  -3.529
   21   HH12  ARG   3          HH12      ARG   3   6.574   6.763  -3.564
   22   HH21  ARG   3          HH21      ARG   3   4.446   5.367  -1.166
   23   HH22  ARG   3          HH22      ARG   3   4.720   6.713  -2.219
   24    H    TYR   4           H        TYR   4  11.015   0.627  -4.071
   25    HA   TYR   4           HA       TYR   4  12.327  -1.947  -3.745
   26    HB2  TYR   4           HB2      TYR   4  14.210  -0.563  -4.971
   27    HB3  TYR   4           HB3      TYR   4  12.812  -1.161  -5.856
   28    HD1  TYR   4           HD2      TYR   4  14.342   1.832  -4.335
   29    HD2  TYR   4           HD1      TYR   4  11.225   0.341  -6.818
   30    HE1  TYR   4           HE2      TYR   4  13.828   4.126  -5.057
   31    HE2  TYR   4           HE1      TYR   4  10.703   2.631  -7.547
   32    HH   TYR   4           HH       TYR   4  11.287   4.772  -7.451
   33    H    LEU   5           H        LEU   5  14.905  -1.472  -3.394
   34    HA   LEU   5           HA       LEU   5  15.251  -1.128  -0.679
   35    HB2  LEU   5           HB2      LEU   5  16.856  -2.118  -2.372
   36    HB3  LEU   5           HB3      LEU   5  17.360  -0.465  -2.719
   37    HG   LEU   5           HG       LEU   5  17.494  -1.534   0.076
   38   HD11  LEU   5          HD11      LEU   5  19.829  -2.197  -0.380
   39   HD12  LEU   5          HD12      LEU   5  19.538  -1.946  -2.101
   40   HD13  LEU   5          HD13      LEU   5  18.650  -3.196  -1.230
   41   HD21  LEU   5          HD21      LEU   5  19.500   0.058   0.014
   42   HD22  LEU   5          HD22      LEU   5  17.886   0.768   0.002
   43   HD23  LEU   5          HD23      LEU   5  18.811   0.656  -1.496
   44    H    PHE   6           H        PHE   6  15.810   1.259  -3.256
   45    HA   PHE   6           HA       PHE   6  16.421   3.351  -1.382
   46    HB2  PHE   6           HB2      PHE   6  15.847   3.484  -4.350
   47    HB3  PHE   6           HB3      PHE   6  16.480   4.806  -3.374
   48    HD1  PHE   6           HD2      PHE   6  18.754   4.659  -2.423
   49    HD2  PHE   6           HD1      PHE   6  17.248   1.736  -5.126
   50    HE1  PHE   6           HE2      PHE   6  21.047   3.872  -2.845
   51    HE2  PHE   6           HE1      PHE   6  19.538   0.944  -5.551
   52    HZ   PHE   6           HZ       PHE   6  21.441   2.013  -4.411
   53    H    GLY   7           H        GLY   7  13.585   1.901  -2.309
   54    HA2  GLY   7           HA2      GLY   7  11.780   3.975  -2.728
   55    HA3  GLY   7           HA3      GLY   7  11.378   2.437  -1.979
   56    H    GLY   8           H        GLY   8  12.078   2.270   0.388
   57    HA2  GLY   8           HA2      GLY   8  12.526   3.478   2.442
   58    HA3  GLY   8           HA3      GLY   8  11.739   4.877   1.727
   59    H    CYS   9           H        CYS   9  11.336   2.880   4.133
   60    HA   CYS   9           HA       CYS   9   8.465   3.163   4.139
   61    HB2  CYS   9           HB2      CYS   9   8.189   0.673   4.710
   62    HB3  CYS   9           HB3      CYS   9   8.429   1.096   3.018
   63    H    SER  10           H        SER  10   7.635   1.893   6.239
   64    HA   SER  10           HA       SER  10   9.464   2.701   8.401
   65    HB2  SER  10           HB2      SER  10   7.380   3.996   8.330
   66    HB3  SER  10           HB3      SER  10   6.441   2.506   8.421
   67    HG   SER  10           HG       SER  10   7.469   3.943  10.416
   68    H    SER  11           H        SER  11   7.639   0.100   7.052
   69    HA   SER  11           HA       SER  11   8.647  -1.668   9.171
   70    HB2  SER  11           HB2      SER  11   6.136  -1.084   9.364
   71    HB3  SER  11           HB3      SER  11   5.933  -2.108   7.943
   72    HG   SER  11           HG       SER  11   5.667  -3.369   9.767
   73    H    THR  12           H        THR  12   8.614  -3.988   8.496
   74    HA   THR  12           HA       THR  12   9.888  -4.264   5.966
   75    HB   THR  12           HB       THR  12  10.059  -6.632   6.478
   76    HG1  THR  12           HG1      THR  12   8.848  -7.582   8.013
   77   HG21  THR  12          HG21      THR  12  11.409  -4.808   7.744
   78   HG22  THR  12          HG22      THR  12  11.460  -6.473   8.324
   79   HG23  THR  12          HG23      THR  12  10.430  -5.289   9.130
   80    H    SER  13           H        SER  13   6.631  -4.614   7.077
   81    HA   SER  13           HA       SER  13   5.589  -6.377   5.186
   82    HB2  SER  13           HB2      SER  13   4.454  -4.188   6.866
   83    HB3  SER  13           HB3      SER  13   3.459  -4.828   5.558
   84    HG   SER  13           HG       SER  13   3.758  -6.912   6.472
   85    H    ASP  14           H        ASP  14   6.654  -3.115   4.856
   86    HA   ASP  14           HA       ASP  14   5.184  -2.472   2.499
   87    HB2  ASP  14           HB2      ASP  14   7.574  -1.281   3.876
   88    HB3  ASP  14           HB3      ASP  14   7.073  -0.701   2.290
   89    H    CYS  15           H        CYS  15   8.393  -3.801   3.132
   90    HA   CYS  15           HA       CYS  15   9.280  -3.756   0.440
   91    HB2  CYS  15           HB2      CYS  15  10.175  -5.492   2.751
   92    HB3  CYS  15           HB3      CYS  15  11.032  -5.318   1.223
   93    H    CYS  16           H        CYS  16   8.537  -4.919  -1.194
   94    HA   CYS  16           HA       CYS  16   7.429  -7.593  -0.633
   95    HB2  CYS  16           HB2      CYS  16   6.591  -5.713  -2.850
   96    HB3  CYS  16           HB3      CYS  16   5.879  -7.279  -2.479
   97    H    LYS  17           H        LYS  17   9.873  -5.883  -2.133
   98    HA   LYS  17           HA       LYS  17  10.245  -7.808  -4.298
   99    HB2  LYS  17           HB2      LYS  17  10.706  -5.110  -4.157
  100    HB3  LYS  17           HB3      LYS  17  12.316  -5.765  -3.892
  101    HG2  LYS  17           HG2      LYS  17  12.330  -5.593  -6.159
  102    HG3  LYS  17           HG3      LYS  17  11.696  -7.232  -5.990
  103    HD2  LYS  17           HD2      LYS  17  10.278  -6.210  -7.552
  104    HD3  LYS  17           HD3      LYS  17   9.380  -6.148  -6.034
  105    HE2  LYS  17           HE2      LYS  17   9.130  -4.012  -6.973
  106    HE3  LYS  17           HE3      LYS  17  10.368  -3.820  -5.734
  107    HZ1  LYS  17           HZ1      LYS  17  11.355  -2.755  -7.468
  108    HZ2  LYS  17           HZ2      LYS  17  10.624  -3.721  -8.648
  109    HZ3  LYS  17           HZ3      LYS  17  11.934  -4.318  -7.759
  110    H    HIS  18           H        HIS  18  10.490  -8.814  -1.668
  111    HA   HIS  18           HA       HIS  18  11.838 -10.183  -0.449
  112    HB2  HIS  18           HB2      HIS  18  13.865  -9.920  -2.670
  113    HB3  HIS  18           HB3      HIS  18  13.695 -11.243  -1.520
  114    HD1  HIS  18           HD1      HIS  18  13.251 -10.810  -4.889
  115    HD2  HIS  18           HD2      HIS  18  10.684 -12.166  -1.917
  116    HE1  HIS  18           HE1      HIS  18  11.497 -12.161  -6.081
  117    H    LEU  19           H        LEU  19  12.026  -7.229  -0.287
  118    HA   LEU  19           HA       LEU  19  14.793  -6.905   0.638
  119    HB2  LEU  19           HB2      LEU  19  12.657  -4.828   0.181
  120    HB3  LEU  19           HB3      LEU  19  14.325  -4.508   0.651
  121    HG   LEU  19           HG       LEU  19  13.958  -6.022  -1.858
  122   HD11  LEU  19          HD11      LEU  19  13.411  -3.065  -1.814
  123   HD12  LEU  19          HD12      LEU  19  12.134  -4.281  -1.858
  124   HD13  LEU  19          HD13      LEU  19  13.297  -4.177  -3.179
  125   HD21  LEU  19          HD21      LEU  19  15.615  -3.574  -1.328
  126   HD22  LEU  19          HD22      LEU  19  15.873  -4.845  -2.524
  127   HD23  LEU  19          HD23      LEU  19  16.127  -5.180  -0.810
  128    H    SER  20           H        SER  20  15.099  -5.638   2.654
  129    HA   SER  20           HA       SER  20  12.985  -6.243   4.618
  130    HB2  SER  20           HB2      SER  20  14.688  -6.719   6.268
  131    HB3  SER  20           HB3      SER  20  15.012  -7.695   4.835
  132    HG   SER  20           HG       SER  20  16.348  -5.371   5.728
  133    H    CYS  21           H        CYS  21  12.107  -4.470   5.428
  134    HA   CYS  21           HA       CYS  21  13.311  -1.894   5.121
  135    HB2  CYS  21           HB2      CYS  21  10.770  -2.625   5.237
  136    HB3  CYS  21           HB3      CYS  21  10.998  -2.338   6.959
  137    H    ARG  22           H        ARG  22  15.017  -1.355   6.323
  138    HA   ARG  22           HA       ARG  22  15.446  -2.397   8.958
  139    HB2  ARG  22           HB2      ARG  22  16.896  -0.170   7.516
  140    HB3  ARG  22           HB3      ARG  22  17.453  -1.002   8.961
  141    HG2  ARG  22           HG2      ARG  22  16.850  -2.694   6.618
  142    HG3  ARG  22           HG3      ARG  22  18.259  -1.639   6.497
  143    HD2  ARG  22           HD2      ARG  22  17.913  -3.235   8.980
  144    HD3  ARG  22           HD3      ARG  22  18.414  -4.080   7.516
  145    HE   ARG  22           HE       ARG  22  20.020  -1.802   7.854
  146   HH11  ARG  22          HH11      ARG  22  19.445  -4.917   9.299
  147   HH12  ARG  22          HH12      ARG  22  21.058  -5.078   9.908
  148   HH21  ARG  22          HH21      ARG  22  22.148  -2.002   8.651
  149   HH22  ARG  22          HH22      ARG  22  22.595  -3.419   9.540
  150    H    SER  23           H        SER  23  14.982  -1.504  10.881
  151    HA   SER  23           HA       SER  23  13.236   0.769  10.966
  152    HB2  SER  23           HB2      SER  23  13.128  -1.279  12.486
  153    HB3  SER  23           HB3      SER  23  14.504  -0.588  13.346
  154    HG   SER  23           HG       SER  23  13.184   1.307  13.654
  155    H    ASP  24           H        ASP  24  16.525   0.494  10.763
  156    HA   ASP  24           HA       ASP  24  17.245   2.642  12.550
  157    HB2  ASP  24           HB2      ASP  24  18.711   0.890  10.620
  158    HB3  ASP  24           HB3      ASP  24  19.464   2.394  11.144
  159    H    TRP  25           H        TRP  25  17.440   2.223   9.011
  160    HA   TRP  25           HA       TRP  25  17.467   5.133   8.712
  161    HB2  TRP  25           HB2      TRP  25  18.362   2.838   7.063
  162    HB3  TRP  25           HB3      TRP  25  17.740   4.232   6.184
  163    HD1  TRP  25           HD1      TRP  25  20.265   3.728   9.107
  164    HE1  TRP  25           HE1      TRP  25  22.281   5.267   8.672
  165    HE3  TRP  25           HE3      TRP  25  18.694   5.913   4.761
  166    HZ2  TRP  25           HZ2      TRP  25  23.098   7.158   6.741
  167    HZ3  TRP  25           HZ3      TRP  25  20.152   7.578   3.684
  168    HH2  TRP  25           HH2      TRP  25  22.307   8.186   4.655
  169    H    LYS  26           H        LYS  26  15.290   2.580   8.652
  170    HA   LYS  26           HA       LYS  26  13.094   2.413   8.084
  171    HB2  LYS  26           HB2      LYS  26  13.182   5.365   7.464
  172    HB3  LYS  26           HB3      LYS  26  11.781   4.404   7.917
  173    HG2  LYS  26           HG2      LYS  26  12.779   4.054  10.145
  174    HG3  LYS  26           HG3      LYS  26  14.118   5.106   9.680
  175    HD2  LYS  26           HD2      LYS  26  12.472   6.923   9.267
  176    HD3  LYS  26           HD3      LYS  26  11.205   5.863   9.888
  177    HE2  LYS  26           HE2      LYS  26  11.876   7.298  11.668
  178    HE3  LYS  26           HE3      LYS  26  12.512   5.691  12.015
  179    HZ1  LYS  26           HZ1      LYS  26  14.573   6.471  12.004
  180    HZ2  LYS  26           HZ2      LYS  26  13.934   8.036  11.937
  181    HZ3  LYS  26           HZ3      LYS  26  14.366   7.237  10.510
  182    H    TYR  27           H        TYR  27  14.738   1.565   6.161
  183    HA   TYR  27           HA       TYR  27  13.236   2.153   3.753
  184    HB2  TYR  27           HB2      TYR  27  15.015   2.878   2.411
  185    HB3  TYR  27           HB3      TYR  27  15.247   3.761   3.916
  186    HD1  TYR  27           HD2      TYR  27  16.636   2.071   5.686
  187    HD2  TYR  27           HD1      TYR  27  17.021   2.286   1.454
  188    HE1  TYR  27           HE2      TYR  27  18.926   1.189   5.856
  189    HE2  TYR  27           HE1      TYR  27  19.312   1.403   1.612
  190    HH   TYR  27           HH       TYR  27  21.116   1.252   3.256
  191    H    CYS  28           H        CYS  28  13.360   0.524   2.191
  192    HA   CYS  28           HA       CYS  28  13.692  -2.078   3.106
  193    HB2  CYS  28           HB2      CYS  28  13.494  -0.861   0.372
  194    HB3  CYS  28           HB3      CYS  28  13.833  -2.581   0.541
  195    H    ALA  29           H        ALA  29  15.220  -3.724   2.433
  196    HA   ALA  29           HA       ALA  29  17.856  -2.743   1.624
  197    HB1  ALA  29           HB1      ALA  29  17.306  -3.192   4.272
  198    HB2  ALA  29           HB2      ALA  29  18.034  -4.716   3.763
  199    HB3  ALA  29           HB3      ALA  29  18.910  -3.202   3.539
  200    H    TRP  30           H        TRP  30  19.094  -4.219   0.510
  201    HA   TRP  30           HA       TRP  30  17.685  -6.425  -0.656
  202    HB2  TRP  30           HB2      TRP  30  20.261  -5.045  -1.089
  203    HB3  TRP  30           HB3      TRP  30  20.237  -6.752  -1.522
  204    HD1  TRP  30           HD1      TRP  30  19.992  -3.725  -3.262
  205    HE1  TRP  30           HE1      TRP  30  18.426  -3.832  -5.302
  206    HE3  TRP  30           HE3      TRP  30  17.407  -7.974  -2.080
  207    HZ2  TRP  30           HZ2      TRP  30  16.368  -5.497  -6.281
  208    HZ3  TRP  30           HZ3      TRP  30  15.656  -8.756  -3.621
  209    HH2  TRP  30           HH2      TRP  30  15.148  -7.542  -5.677
  210    H    ASP  31           H        ASP  31  18.744  -8.609  -0.826
  211    HA   ASP  31           HA       ASP  31  19.284 -10.561   0.217
  212    HB2  ASP  31           HB2      ASP  31  21.314  -8.947   1.758
  213    HB3  ASP  31           HB3      ASP  31  21.411 -10.638   1.276
  214    H    GLY  32           H        GLY  32  17.222  -8.909   1.446
  215    HA2  GLY  32           HA2      GLY  32  15.936  -8.870   3.346
  216    HA3  GLY  32           HA3      GLY  32  16.727 -10.384   3.759
  217    H    THR  33           H        THR  33  16.691  -9.807   5.970
  218    HA   THR  33           HA       THR  33  17.880  -7.426   6.958
  219    HB   THR  33           HB       THR  33  18.013  -8.919   9.130
  220    HG1  THR  33           HG1      THR  33  16.844 -10.748   9.040
  221   HG21  THR  33          HG21      THR  33  15.202  -8.634   8.635
  222   HG22  THR  33          HG22      THR  33  16.065  -7.252   7.961
  223   HG23  THR  33          HG23      THR  33  16.253  -7.663   9.666
  224    H    PHE  34           H        PHE  34  19.832  -7.251   8.215
  225    HA   PHE  34           HA       PHE  34  21.924  -9.114   7.303
  226    HB2  PHE  34           HB2      PHE  34  21.976  -6.150   7.813
  227    HB3  PHE  34           HB3      PHE  34  23.459  -7.099   7.817
  228    HD1  PHE  34           HD2      PHE  34  23.900  -8.548   5.720
  229    HD2  PHE  34           HD1      PHE  34  21.165  -5.288   5.831
  230    HE1  PHE  34           HE2      PHE  34  24.024  -8.365   3.270
  231    HE2  PHE  34           HE1      PHE  34  21.284  -5.101   3.381
  232    HZ   PHE  34           HZ       PHE  34  22.716  -6.640   2.097
  233    H    SER  35           H        SER  35  22.279 -10.513   8.914
  234    HA   SER  35           HA       SER  35  22.635  -9.422  11.630
  235    HB2  SER  35           HB2      SER  35  21.726 -11.378  12.563
  236    HB3  SER  35           HB3      SER  35  20.684 -11.057  11.176
  237    HG   SER  35           HG       SER  35  21.352 -13.255  11.296
  Start of MODEL   17
    1    H1   GLU   1           H        GLU   1   0.355  -1.389  -1.746
    2    HA   GLU   1           HA       GLU   1   2.181   0.622  -2.070
    3    HB2  GLU   1           HB2      GLU   1   1.040  -0.670   0.384
    4    HB3  GLU   1           HB3      GLU   1   2.240   0.606   0.539
    5    HG2  GLU   1           HG2      GLU   1   0.288   1.794   0.667
    6    HG3  GLU   1           HG3      GLU   1   0.661   1.919  -1.052
    7    H    CYS   2           H        CYS   2   3.739  -1.148  -3.125
    8    HA   CYS   2           HA       CYS   2   5.769  -1.819  -1.096
    9    HB2  CYS   2           HB2      CYS   2   5.465  -3.113  -3.808
   10    HB3  CYS   2           HB3      CYS   2   6.486  -3.644  -2.476
   11    H    ARG   3           H        ARG   3   7.893  -1.260  -1.456
   12    HA   ARG   3           HA       ARG   3   8.468   0.313  -3.873
   13    HB2  ARG   3           HB2      ARG   3   9.464   1.071  -1.128
   14    HB3  ARG   3           HB3      ARG   3   9.586   2.005  -2.613
   15    HG2  ARG   3           HG2      ARG   3   6.844   1.498  -2.170
   16    HG3  ARG   3           HG3      ARG   3   7.539   2.040  -0.641
   17    HD2  ARG   3           HD2      ARG   3   8.514   3.982  -1.808
   18    HD3  ARG   3           HD3      ARG   3   7.740   3.450  -3.300
   19    HE   ARG   3           HE       ARG   3   5.928   3.826  -1.091
   20   HH11  ARG   3          HH11      ARG   3   7.530   5.324  -3.795
   21   HH12  ARG   3          HH12      ARG   3   6.358   6.590  -3.956
   22   HH21  ARG   3          HH21      ARG   3   4.378   5.488  -1.293
   23   HH22  ARG   3          HH22      ARG   3   4.566   6.683  -2.531
   24    H    TYR   4           H        TYR   4  10.935   0.753  -3.981
   25    HA   TYR   4           HA       TYR   4  12.236  -1.838  -3.728
   26    HB2  TYR   4           HB2      TYR   4  14.101  -0.446  -4.974
   27    HB3  TYR   4           HB3      TYR   4  12.685  -1.033  -5.838
   28    HD1  TYR   4           HD2      TYR   4  14.223   1.946  -4.288
   29    HD2  TYR   4           HD1      TYR   4  11.107   0.477  -6.784
   30    HE1  TYR   4           HE2      TYR   4  13.698   4.248  -4.977
   31    HE2  TYR   4           HE1      TYR   4  10.574   2.775  -7.481
   32    HH   TYR   4           HH       TYR   4  10.996   5.220  -6.229
   33    H    LEU   5           H        LEU   5  14.822  -1.378  -3.424
   34    HA   LEU   5           HA       LEU   5  15.227  -1.071  -0.714
   35    HB2  LEU   5           HB2      LEU   5  16.781  -1.989  -2.555
   36    HB3  LEU   5           HB3      LEU   5  17.342  -0.325  -2.702
   37    HG   LEU   5           HG       LEU   5  17.433  -1.864  -0.115
   38   HD11  LEU   5          HD11      LEU   5  19.283  -1.869  -2.437
   39   HD12  LEU   5          HD12      LEU   5  18.898  -3.152  -1.291
   40   HD13  LEU   5          HD13      LEU   5  19.980  -1.843  -0.817
   41   HD21  LEU   5          HD21      LEU   5  17.600   0.423   0.339
   42   HD22  LEU   5          HD22      LEU   5  18.571   0.732  -1.101
   43   HD23  LEU   5          HD23      LEU   5  19.275  -0.126   0.270
   44    H    PHE   6           H        PHE   6  15.731   1.351  -3.270
   45    HA   PHE   6           HA       PHE   6  16.402   3.415  -1.390
   46    HB2  PHE   6           HB2      PHE   6  15.801   3.479  -4.351
   47    HB3  PHE   6           HB3      PHE   6  16.261   4.901  -3.421
   48    HD1  PHE   6           HD2      PHE   6  18.514   5.010  -2.380
   49    HD2  PHE   6           HD1      PHE   6  17.406   1.909  -5.076
   50    HE1  PHE   6           HE2      PHE   6  20.889   4.470  -2.729
   51    HE2  PHE   6           HE1      PHE   6  19.779   1.363  -5.429
   52    HZ   PHE   6           HZ       PHE   6  21.524   2.644  -4.254
   53    H    GLY   7           H        GLY   7  13.527   1.991  -2.282
   54    HA2  GLY   7           HA2      GLY   7  11.698   4.033  -2.611
   55    HA3  GLY   7           HA3      GLY   7  11.342   2.514  -1.803
   56    H    GLY   8           H        GLY   8  12.158   2.415   0.531
   57    HA2  GLY   8           HA2      GLY   8  12.659   3.626   2.549
   58    HA3  GLY   8           HA3      GLY   8  11.938   5.054   1.821
   59    H    CYS   9           H        CYS   9  11.468   2.592   4.003
   60    HA   CYS   9           HA       CYS   9   8.616   3.225   4.175
   61    HB2  CYS   9           HB2      CYS   9   8.221   0.745   4.706
   62    HB3  CYS   9           HB3      CYS   9   8.464   1.182   3.017
   63    H    SER  10           H        SER  10   7.762   1.954   6.268
   64    HA   SER  10           HA       SER  10   9.676   2.608   8.409
   65    HB2  SER  10           HB2      SER  10   7.615   2.922   9.832
   66    HB3  SER  10           HB3      SER  10   7.791   4.089   8.522
   67    HG   SER  10           HG       SER  10   6.260   2.961   7.345
   68    H    SER  11           H        SER  11   7.680   0.168   7.029
   69    HA   SER  11           HA       SER  11   8.502  -1.682   9.164
   70    HB2  SER  11           HB2      SER  11   6.103  -1.114   9.430
   71    HB3  SER  11           HB3      SER  11   5.803  -1.693   7.791
   72    HG   SER  11           HG       SER  11   5.361  -3.280   9.401
   73    H    THR  12           H        THR  12   8.490  -3.966   8.479
   74    HA   THR  12           HA       THR  12   9.833  -4.268   5.987
   75    HB   THR  12           HB       THR  12   9.830  -6.693   6.512
   76    HG1  THR  12           HG1      THR  12   8.513  -5.992   8.930
   77   HG21  THR  12          HG21      THR  12  10.672  -4.722   8.619
   78   HG22  THR  12          HG22      THR  12  11.665  -5.537   7.411
   79   HG23  THR  12          HG23      THR  12  11.013  -6.445   8.774
   80    H    SER  13           H        SER  13   6.543  -4.587   7.014
   81    HA   SER  13           HA       SER  13   5.543  -6.340   5.088
   82    HB2  SER  13           HB2      SER  13   3.400  -5.581   5.688
   83    HB3  SER  13           HB3      SER  13   4.363  -5.300   7.139
   84    HG   SER  13           HG       SER  13   2.928  -3.541   5.936
   85    H    ASP  14           H        ASP  14   6.648  -3.095   4.799
   86    HA   ASP  14           HA       ASP  14   5.224  -2.411   2.425
   87    HB2  ASP  14           HB2      ASP  14   7.534  -1.257   3.932
   88    HB3  ASP  14           HB3      ASP  14   7.242  -0.713   2.282
   89    H    CYS  15           H        CYS  15   8.377  -3.834   3.103
   90    HA   CYS  15           HA       CYS  15   9.321  -3.768   0.425
   91    HB2  CYS  15           HB2      CYS  15  10.138  -5.511   2.759
   92    HB3  CYS  15           HB3      CYS  15  11.012  -5.404   1.234
   93    H    CYS  16           H        CYS  16   8.522  -4.872  -1.224
   94    HA   CYS  16           HA       CYS  16   7.401  -7.550  -0.713
   95    HB2  CYS  16           HB2      CYS  16   6.558  -5.600  -2.867
   96    HB3  CYS  16           HB3      CYS  16   5.848  -7.181  -2.557
   97    H    LYS  17           H        LYS  17   9.831  -5.811  -2.217
   98    HA   LYS  17           HA       LYS  17  10.178  -7.708  -4.410
   99    HB2  LYS  17           HB2      LYS  17  10.605  -5.024  -4.289
  100    HB3  LYS  17           HB3      LYS  17  12.225  -5.628  -3.967
  101    HG2  LYS  17           HG2      LYS  17  12.305  -5.477  -6.235
  102    HG3  LYS  17           HG3      LYS  17  11.715  -7.133  -6.068
  103    HD2  LYS  17           HD2      LYS  17  10.235  -6.300  -7.617
  104    HD3  LYS  17           HD3      LYS  17   9.364  -5.968  -6.118
  105    HE2  LYS  17           HE2      LYS  17   9.278  -4.020  -7.531
  106    HE3  LYS  17           HE3      LYS  17  10.298  -3.676  -6.135
  107    HZ1  LYS  17           HZ1      LYS  17  10.976  -3.726  -8.922
  108    HZ2  LYS  17           HZ2      LYS  17  12.050  -4.624  -7.974
  109    HZ3  LYS  17           HZ3      LYS  17  11.780  -2.990  -7.629
  110    H    HIS  18           H        HIS  18  10.461  -8.750  -1.800
  111    HA   HIS  18           HA       HIS  18  11.828 -10.138  -0.624
  112    HB2  HIS  18           HB2      HIS  18  13.839  -9.814  -2.853
  113    HB3  HIS  18           HB3      HIS  18  13.683 -11.163  -1.730
  114    HD1  HIS  18           HD1      HIS  18  12.049 -13.002  -2.330
  115    HD2  HIS  18           HD2      HIS  18  11.847  -9.743  -4.898
  116    HE1  HIS  18           HE1      HIS  18  10.592 -13.742  -4.242
  117    H    LEU  19           H        LEU  19  11.969  -7.218  -0.338
  118    HA   LEU  19           HA       LEU  19  14.750  -6.877   0.548
  119    HB2  LEU  19           HB2      LEU  19  12.594  -4.802   0.180
  120    HB3  LEU  19           HB3      LEU  19  14.274  -4.490   0.612
  121    HG   LEU  19           HG       LEU  19  13.832  -5.942  -1.923
  122   HD11  LEU  19          HD11      LEU  19  13.161  -4.044  -3.175
  123   HD12  LEU  19          HD12      LEU  19  13.293  -2.986  -1.771
  124   HD13  LEU  19          HD13      LEU  19  12.018  -4.202  -1.841
  125   HD21  LEU  19          HD21      LEU  19  16.037  -5.151  -0.925
  126   HD22  LEU  19          HD22      LEU  19  15.522  -3.521  -1.363
  127   HD23  LEU  19          HD23      LEU  19  15.731  -4.747  -2.615
  128    H    SER  20           H        SER  20  15.041  -5.619   2.588
  129    HA   SER  20           HA       SER  20  12.952  -6.300   4.553
  130    HB2  SER  20           HB2      SER  20  15.902  -6.748   4.618
  131    HB3  SER  20           HB3      SER  20  15.090  -6.351   6.133
  132    HG   SER  20           HG       SER  20  14.310  -8.294   6.173
  133    H    CYS  21           H        CYS  21  12.084  -4.557   5.435
  134    HA   CYS  21           HA       CYS  21  13.343  -1.979   5.215
  135    HB2  CYS  21           HB2      CYS  21  10.773  -2.691   5.193
  136    HB3  CYS  21           HB3      CYS  21  10.931  -2.375   6.918
  137    H    ARG  22           H        ARG  22  14.945  -1.446   6.545
  138    HA   ARG  22           HA       ARG  22  15.107  -2.555   9.216
  139    HB2  ARG  22           HB2      ARG  22  16.907  -0.728   7.627
  140    HB3  ARG  22           HB3      ARG  22  17.227  -1.156   9.302
  141    HG2  ARG  22           HG2      ARG  22  17.047  -3.596   8.460
  142    HG3  ARG  22           HG3      ARG  22  17.298  -2.882   6.866
  143    HD2  ARG  22           HD2      ARG  22  19.443  -3.473   7.622
  144    HD3  ARG  22           HD3      ARG  22  19.328  -1.731   7.870
  145    HE   ARG  22           HE       ARG  22  18.528  -3.068  10.214
  146   HH11  ARG  22          HH11      ARG  22  21.374  -2.396   8.325
  147   HH12  ARG  22          HH12      ARG  22  22.450  -2.467   9.681
  148   HH21  ARG  22          HH21      ARG  22  19.934  -3.165  12.007
  149   HH22  ARG  22          HH22      ARG  22  21.630  -2.905  11.775
  150    H    SER  23           H        SER  23  14.744  -1.502  11.099
  151    HA   SER  23           HA       SER  23  13.191   0.906  11.009
  152    HB2  SER  23           HB2      SER  23  12.989  -1.091  12.660
  153    HB3  SER  23           HB3      SER  23  14.291  -0.290  13.539
  154    HG   SER  23           HG       SER  23  11.801   0.221  13.813
  155    H    ASP  24           H        ASP  24  16.450   0.355  10.900
  156    HA   ASP  24           HA       ASP  24  17.356   2.481  12.601
  157    HB2  ASP  24           HB2      ASP  24  18.636   0.357  11.761
  158    HB3  ASP  24           HB3      ASP  24  19.001   1.360  10.360
  159    H    TRP  25           H        TRP  25  17.402   2.052   9.058
  160    HA   TRP  25           HA       TRP  25  17.549   4.968   8.773
  161    HB2  TRP  25           HB2      TRP  25  18.409   2.662   7.108
  162    HB3  TRP  25           HB3      TRP  25  17.874   4.107   6.254
  163    HD1  TRP  25           HD1      TRP  25  20.286   3.419   9.234
  164    HE1  TRP  25           HE1      TRP  25  22.382   4.873   8.894
  165    HE3  TRP  25           HE3      TRP  25  18.949   5.768   4.895
  166    HZ2  TRP  25           HZ2      TRP  25  23.342   6.766   7.034
  167    HZ3  TRP  25           HZ3      TRP  25  20.513   7.387   3.900
  168    HH2  TRP  25           HH2      TRP  25  22.663   7.875   4.949
  169    H    LYS  26           H        LYS  26  15.346   2.426   8.618
  170    HA   LYS  26           HA       LYS  26  13.160   2.294   8.002
  171    HB2  LYS  26           HB2      LYS  26  13.280   5.257   7.448
  172    HB3  LYS  26           HB3      LYS  26  11.867   4.296   7.862
  173    HG2  LYS  26           HG2      LYS  26  12.948   3.858  10.089
  174    HG3  LYS  26           HG3      LYS  26  14.156   5.068   9.649
  175    HD2  LYS  26           HD2      LYS  26  11.230   5.703   9.513
  176    HD3  LYS  26           HD3      LYS  26  12.103   5.797  11.045
  177    HE2  LYS  26           HE2      LYS  26  12.915   7.237   8.522
  178    HE3  LYS  26           HE3      LYS  26  11.968   7.960   9.822
  179    HZ1  LYS  26           HZ1      LYS  26  14.064   6.977  11.165
  180    HZ2  LYS  26           HZ2      LYS  26  13.969   8.564  10.589
  181    HZ3  LYS  26           HZ3      LYS  26  14.801   7.390   9.699
  182    H    TYR  27           H        TYR  27  14.823   1.465   6.096
  183    HA   TYR  27           HA       TYR  27  13.389   2.140   3.669
  184    HB2  TYR  27           HB2      TYR  27  15.216   2.852   2.385
  185    HB3  TYR  27           HB3      TYR  27  15.427   3.700   3.913
  186    HD1  TYR  27           HD2      TYR  27  16.740   1.953   5.683
  187    HD2  TYR  27           HD1      TYR  27  17.231   2.230   1.466
  188    HE1  TYR  27           HE2      TYR  27  19.006   1.021   5.891
  189    HE2  TYR  27           HE1      TYR  27  19.498   1.298   1.662
  190    HH   TYR  27           HH       TYR  27  20.601  -0.369   4.033
  191    H    CYS  28           H        CYS  28  13.368   0.497   2.173
  192    HA   CYS  28           HA       CYS  28  13.713  -2.112   3.028
  193    HB2  CYS  28           HB2      CYS  28  13.428  -0.843   0.332
  194    HB3  CYS  28           HB3      CYS  28  13.804  -2.560   0.435
  195    H    ALA  29           H        ALA  29  15.238  -3.735   2.538
  196    HA   ALA  29           HA       ALA  29  17.859  -2.792   1.600
  197    HB1  ALA  29           HB1      ALA  29  18.913  -4.221   3.372
  198    HB2  ALA  29           HB2      ALA  29  18.079  -2.785   3.967
  199    HB3  ALA  29           HB3      ALA  29  17.316  -4.369   4.106
  200    H    TRP  30           H        TRP  30  19.029  -4.239   0.402
  201    HA   TRP  30           HA       TRP  30  17.582  -6.426  -0.749
  202    HB2  TRP  30           HB2      TRP  30  20.146  -5.044  -1.242
  203    HB3  TRP  30           HB3      TRP  30  20.106  -6.744  -1.700
  204    HD1  TRP  30           HD1      TRP  30  19.810  -3.691  -3.386
  205    HE1  TRP  30           HE1      TRP  30  18.180  -3.765  -5.376
  206    HE3  TRP  30           HE3      TRP  30  17.257  -7.955  -2.186
  207    HZ2  TRP  30           HZ2      TRP  30  16.088  -5.413  -6.313
  208    HZ3  TRP  30           HZ3      TRP  30  15.456  -8.712  -3.682
  209    HH2  TRP  30           HH2      TRP  30  14.885  -7.466  -5.702
  210    H    ASP  31           H        ASP  31  18.630  -8.609  -0.987
  211    HA   ASP  31           HA       ASP  31  19.219 -10.577  -0.004
  212    HB2  ASP  31           HB2      ASP  31  21.255  -8.995   1.560
  213    HB3  ASP  31           HB3      ASP  31  21.363 -10.664   1.006
  214    H    GLY  32           H        GLY  32  17.183  -8.917   1.307
  215    HA2  GLY  32           HA2      GLY  32  15.920  -8.942   3.223
  216    HA3  GLY  32           HA3      GLY  32  16.712 -10.469   3.582
  217    H    THR  33           H        THR  33  16.449  -9.673   5.820
  218    HA   THR  33           HA       THR  33  17.821  -7.417   6.793
  219    HB   THR  33           HB       THR  33  17.439  -9.852   8.498
  220    HG1  THR  33           HG1      THR  33  15.302  -9.672   8.421
  221   HG21  THR  33          HG21      THR  33  17.145  -6.879   8.927
  222   HG22  THR  33          HG22      THR  33  18.399  -7.934   9.579
  223   HG23  THR  33          HG23      THR  33  16.732  -8.098  10.132
  224    H    PHE  34           H        PHE  34  19.725  -7.381   8.169
  225    HA   PHE  34           HA       PHE  34  21.725  -9.375   7.328
  226    HB2  PHE  34           HB2      PHE  34  21.853  -6.417   7.642
  227    HB3  PHE  34           HB3      PHE  34  23.292  -7.342   8.058
  228    HD1  PHE  34           HD2      PHE  34  24.494  -8.605   6.356
  229    HD2  PHE  34           HD1      PHE  34  21.105  -6.225   5.373
  230    HE1  PHE  34           HE2      PHE  34  25.113  -8.712   3.977
  231    HE2  PHE  34           HE1      PHE  34  21.718  -6.328   2.992
  232    HZ   PHE  34           HZ       PHE  34  23.725  -7.572   2.292
  233    H    SER  35           H        SER  35  23.161 -10.189   8.845
  234    HA   SER  35           HA       SER  35  22.278  -9.901  11.623
  235    HB2  SER  35           HB2      SER  35  22.377 -12.184  10.669
  236    HB3  SER  35           HB3      SER  35  24.106 -11.978  10.392
  237    HG   SER  35           HG       SER  35  24.215 -12.805  12.334
  Start of MODEL   18
    1    H1   GLU   1           H        GLU   1   0.866   0.933  -0.364
    2    HA   GLU   1           HA       GLU   1   1.644  -0.456  -2.718
    3    HB2  GLU   1           HB2      GLU   1   1.071   2.076  -2.327
    4    HB3  GLU   1           HB3      GLU   1   2.790   2.210  -1.985
    5    HG2  GLU   1           HG2      GLU   1   2.662   2.723  -4.231
    6    HG3  GLU   1           HG3      GLU   1   3.116   1.020  -4.240
    7    H    CYS   2           H        CYS   2   3.463  -1.509  -3.173
    8    HA   CYS   2           HA       CYS   2   5.552  -1.655  -1.173
    9    HB2  CYS   2           HB2      CYS   2   5.476  -3.046  -3.852
   10    HB3  CYS   2           HB3      CYS   2   6.414  -3.499  -2.433
   11    H    ARG   3           H        ARG   3   7.753  -1.210  -1.549
   12    HA   ARG   3           HA       ARG   3   8.344   0.441  -3.908
   13    HB2  ARG   3           HB2      ARG   3   9.357   1.125  -1.152
   14    HB3  ARG   3           HB3      ARG   3   9.440   2.104  -2.610
   15    HG2  ARG   3           HG2      ARG   3   6.722   1.619  -2.209
   16    HG3  ARG   3           HG3      ARG   3   7.381   1.967  -0.610
   17    HD2  ARG   3           HD2      ARG   3   8.406   4.019  -1.505
   18    HD3  ARG   3           HD3      ARG   3   7.683   3.676  -3.076
   19    HE   ARG   3           HE       ARG   3   5.793   3.814  -0.906
   20   HH11  ARG   3          HH11      ARG   3   7.508   5.598  -3.354
   21   HH12  ARG   3          HH12      ARG   3   6.354   6.889  -3.406
   22   HH21  ARG   3          HH21      ARG   3   4.267   5.508  -0.965
   23   HH22  ARG   3          HH22      ARG   3   4.512   6.837  -2.046
   24    H    TYR   4           H        TYR   4  10.814   0.867  -3.993
   25    HA   TYR   4           HA       TYR   4  12.096  -1.737  -3.820
   26    HB2  TYR   4           HB2      TYR   4  13.988  -0.315  -4.982
   27    HB3  TYR   4           HB3      TYR   4  12.574  -0.840  -5.889
   28    HD1  TYR   4           HD2      TYR   4  14.156   2.038  -4.206
   29    HD2  TYR   4           HD1      TYR   4  11.010   0.737  -6.758
   30    HE1  TYR   4           HE2      TYR   4  13.673   4.377  -4.792
   31    HE2  TYR   4           HE1      TYR   4  10.519   3.073  -7.352
   32    HH   TYR   4           HH       TYR   4  12.093   5.348  -7.333
   33    H    LEU   5           H        LEU   5  14.681  -1.314  -3.461
   34    HA   LEU   5           HA       LEU   5  15.046  -1.121  -0.733
   35    HB2  LEU   5           HB2      LEU   5  16.636  -2.074  -2.420
   36    HB3  LEU   5           HB3      LEU   5  17.124  -0.423  -2.799
   37    HG   LEU   5           HG       LEU   5  17.342  -1.457   0.003
   38   HD11  LEU   5          HD11      LEU   5  19.319  -1.899  -2.228
   39   HD12  LEU   5          HD12      LEU   5  18.461  -3.137  -1.310
   40   HD13  LEU   5          HD13      LEU   5  19.665  -2.123  -0.513
   41   HD21  LEU   5          HD21      LEU   5  17.706   0.862  -0.165
   42   HD22  LEU   5          HD22      LEU   5  18.662   0.689  -1.637
   43   HD23  LEU   5          HD23      LEU   5  19.314   0.141  -0.091
   44    H    PHE   6           H        PHE   6  15.632   1.390  -3.184
   45    HA   PHE   6           HA       PHE   6  16.281   3.370  -1.205
   46    HB2  PHE   6           HB2      PHE   6  15.641   3.776  -4.132
   47    HB3  PHE   6           HB3      PHE   6  16.472   4.906  -3.068
   48    HD1  PHE   6           HD2      PHE   6  18.492   3.480  -1.740
   49    HD2  PHE   6           HD1      PHE   6  17.051   2.898  -5.702
   50    HE1  PHE   6           HE2      PHE   6  20.652   2.490  -2.376
   51    HE2  PHE   6           HE1      PHE   6  19.209   1.906  -6.345
   52    HZ   PHE   6           HZ       PHE   6  21.013   1.702  -4.682
   53    H    GLY   7           H        GLY   7  13.424   2.004  -2.148
   54    HA2  GLY   7           HA2      GLY   7  11.636   4.104  -2.487
   55    HA3  GLY   7           HA3      GLY   7  11.229   2.554  -1.766
   56    H    GLY   8           H        GLY   8  11.964   2.328   0.586
   57    HA2  GLY   8           HA2      GLY   8  12.447   3.473   2.663
   58    HA3  GLY   8           HA3      GLY   8  11.689   4.908   1.988
   59    H    CYS   9           H        CYS   9  11.260   2.837   4.339
   60    HA   CYS   9           HA       CYS   9   8.400   3.209   4.395
   61    HB2  CYS   9           HB2      CYS   9   8.057   0.707   4.882
   62    HB3  CYS   9           HB3      CYS   9   8.278   1.188   3.202
   63    H    SER  10           H        SER  10   7.558   1.885   6.458
   64    HA   SER  10           HA       SER  10   9.437   2.558   8.623
   65    HB2  SER  10           HB2      SER  10   7.652   3.242   9.948
   66    HB3  SER  10           HB3      SER  10   7.116   3.741   8.344
   67    HG   SER  10           HG       SER  10   6.008   1.953  10.041
   68    H    SER  11           H        SER  11   7.536   0.061   7.195
   69    HA   SER  11           HA       SER  11   8.481  -1.804   9.262
   70    HB2  SER  11           HB2      SER  11   6.087  -1.348   9.651
   71    HB3  SER  11           HB3      SER  11   5.729  -1.848   7.998
   72    HG   SER  11           HG       SER  11   5.445  -3.697   9.021
   73    H    THR  12           H        THR  12   8.462  -4.087   8.511
   74    HA   THR  12           HA       THR  12   9.762  -4.291   5.987
   75    HB   THR  12           HB       THR  12   9.919  -6.676   6.431
   76    HG1  THR  12           HG1      THR  12   8.058  -7.322   7.335
   77   HG21  THR  12          HG21      THR  12  10.511  -6.168   9.118
   78   HG22  THR  12          HG22      THR  12  10.751  -4.630   8.288
   79   HG23  THR  12          HG23      THR  12  11.615  -6.069   7.747
   80    H    SER  13           H        SER  13   6.493  -4.623   7.040
   81    HA   SER  13           HA       SER  13   5.458  -6.349   5.108
   82    HB2  SER  13           HB2      SER  13   3.307  -5.480   5.667
   83    HB3  SER  13           HB3      SER  13   4.265  -5.416   7.147
   84    HG   SER  13           HG       SER  13   3.345  -3.444   7.004
   85    H    ASP  14           H        ASP  14   6.574  -3.100   4.841
   86    HA   ASP  14           HA       ASP  14   5.144  -2.402   2.474
   87    HB2  ASP  14           HB2      ASP  14   7.495  -1.258   3.942
   88    HB3  ASP  14           HB3      ASP  14   7.102  -0.672   2.328
   89    H    CYS  15           H        CYS  15   8.329  -3.776   3.134
   90    HA   CYS  15           HA       CYS  15   9.270  -3.696   0.465
   91    HB2  CYS  15           HB2      CYS  15  10.070  -5.484   2.771
   92    HB3  CYS  15           HB3      CYS  15  10.954  -5.347   1.254
   93    H    CYS  16           H        CYS  16   8.493  -4.779  -1.208
   94    HA   CYS  16           HA       CYS  16   7.337  -7.451  -0.744
   95    HB2  CYS  16           HB2      CYS  16   6.559  -5.442  -2.870
   96    HB3  CYS  16           HB3      CYS  16   5.851  -7.040  -2.653
   97    H    LYS  17           H        LYS  17   9.802  -5.711  -2.209
   98    HA   LYS  17           HA       LYS  17  10.181  -7.616  -4.390
   99    HB2  LYS  17           HB2      LYS  17  11.403  -4.973  -3.672
  100    HB3  LYS  17           HB3      LYS  17  12.239  -6.053  -4.780
  101    HG2  LYS  17           HG2      LYS  17   9.383  -5.266  -5.228
  102    HG3  LYS  17           HG3      LYS  17  10.721  -4.248  -5.766
  103    HD2  LYS  17           HD2      LYS  17  11.583  -6.022  -7.146
  104    HD3  LYS  17           HD3      LYS  17  10.385  -7.152  -6.510
  105    HE2  LYS  17           HE2      LYS  17   8.636  -6.134  -7.655
  106    HE3  LYS  17           HE3      LYS  17   9.524  -4.625  -7.866
  107    HZ1  LYS  17           HZ1      LYS  17   9.987  -5.372  -9.892
  108    HZ2  LYS  17           HZ2      LYS  17   9.456  -6.939  -9.543
  109    HZ3  LYS  17           HZ3      LYS  17  11.040  -6.480  -9.167
  110    H    HIS  18           H        HIS  18  10.427  -8.648  -1.772
  111    HA   HIS  18           HA       HIS  18  11.778 -10.026  -0.566
  112    HB2  HIS  18           HB2      HIS  18  12.709 -10.204  -3.215
  113    HB3  HIS  18           HB3      HIS  18  14.148 -10.038  -2.213
  114    HD1  HIS  18           HD1      HIS  18  15.053 -12.215  -1.509
  115    HD2  HIS  18           HD2      HIS  18  10.926 -12.349  -1.965
  116    HE1  HIS  18           HE1      HIS  18  14.396 -14.586  -0.990
  117    H    LEU  19           H        LEU  19  11.933  -7.095  -0.322
  118    HA   LEU  19           HA       LEU  19  14.707  -6.740   0.569
  119    HB2  LEU  19           HB2      LEU  19  12.504  -4.721   0.177
  120    HB3  LEU  19           HB3      LEU  19  14.142  -4.348   0.708
  121    HG   LEU  19           HG       LEU  19  13.883  -5.769  -1.874
  122   HD11  LEU  19          HD11      LEU  19  13.278  -2.828  -1.696
  123   HD12  LEU  19          HD12      LEU  19  12.031  -4.065  -1.851
  124   HD13  LEU  19          HD13      LEU  19  13.236  -3.864  -3.123
  125   HD21  LEU  19          HD21      LEU  19  15.498  -3.347  -1.109
  126   HD22  LEU  19          HD22      LEU  19  15.770  -4.457  -2.453
  127   HD23  LEU  19          HD23      LEU  19  16.025  -5.001  -0.794
  128    H    SER  20           H        SER  20  15.009  -5.509   2.618
  129    HA   SER  20           HA       SER  20  12.957  -6.247   4.601
  130    HB2  SER  20           HB2      SER  20  14.711  -6.717   6.205
  131    HB3  SER  20           HB3      SER  20  15.018  -7.650   4.740
  132    HG   SER  20           HG       SER  20  16.420  -5.497   5.813
  133    H    CYS  21           H        CYS  21  12.044  -4.526   5.483
  134    HA   CYS  21           HA       CYS  21  13.232  -1.916   5.275
  135    HB2  CYS  21           HB2      CYS  21  10.687  -2.680   5.263
  136    HB3  CYS  21           HB3      CYS  21  10.847  -2.414   6.996
  137    H    ARG  22           H        ARG  22  15.010  -1.682   6.535
  138    HA   ARG  22           HA       ARG  22  15.117  -2.667   9.232
  139    HB2  ARG  22           HB2      ARG  22  16.988  -0.800   7.763
  140    HB3  ARG  22           HB3      ARG  22  17.316  -1.569   9.310
  141    HG2  ARG  22           HG2      ARG  22  17.094  -3.780   8.163
  142    HG3  ARG  22           HG3      ARG  22  17.008  -2.903   6.634
  143    HD2  ARG  22           HD2      ARG  22  19.259  -3.472   6.812
  144    HD3  ARG  22           HD3      ARG  22  19.207  -1.803   7.379
  145    HE   ARG  22           HE       ARG  22  18.911  -3.420   9.610
  146   HH11  ARG  22          HH11      ARG  22  21.307  -2.816   7.157
  147   HH12  ARG  22          HH12      ARG  22  22.647  -3.197   8.187
  148   HH21  ARG  22          HH21      ARG  22  20.667  -3.924  10.976
  149   HH22  ARG  22          HH22      ARG  22  22.282  -3.828  10.359
  150    H    SER  23           H        SER  23  14.912  -1.548  11.119
  151    HA   SER  23           HA       SER  23  13.394   0.883  11.034
  152    HB2  SER  23           HB2      SER  23  12.787  -0.584  12.779
  153    HB3  SER  23           HB3      SER  23  14.464  -0.841  13.263
  154    HG   SER  23           HG       SER  23  14.386   0.905  14.441
  155    H    ASP  24           H        ASP  24  16.702   0.141  11.092
  156    HA   ASP  24           HA       ASP  24  17.727   2.294  12.590
  157    HB2  ASP  24           HB2      ASP  24  18.903   0.166  11.610
  158    HB3  ASP  24           HB3      ASP  24  19.190   1.201  10.214
  159    H    TRP  25           H        TRP  25  17.510   1.938   9.045
  160    HA   TRP  25           HA       TRP  25  17.686   4.856   8.807
  161    HB2  TRP  25           HB2      TRP  25  18.316   2.573   6.989
  162    HB3  TRP  25           HB3      TRP  25  17.852   4.111   6.268
  163    HD1  TRP  25           HD1      TRP  25  20.381   2.990   9.009
  164    HE1  TRP  25           HE1      TRP  25  22.556   4.319   8.655
  165    HE3  TRP  25           HE3      TRP  25  18.952   5.837   5.010
  166    HZ2  TRP  25           HZ2      TRP  25  23.537   6.311   6.912
  167    HZ3  TRP  25           HZ3      TRP  25  20.569   7.430   4.059
  168    HH2  TRP  25           HH2      TRP  25  22.813   7.661   4.992
  169    H    LYS  26           H        LYS  26  15.427   2.367   8.787
  170    HA   LYS  26           HA       LYS  26  13.199   2.287   8.334
  171    HB2  LYS  26           HB2      LYS  26  13.342   5.251   7.794
  172    HB3  LYS  26           HB3      LYS  26  11.942   4.317   8.305
  173    HG2  LYS  26           HG2      LYS  26  13.117   3.857  10.451
  174    HG3  LYS  26           HG3      LYS  26  14.390   4.964   9.932
  175    HD2  LYS  26           HD2      LYS  26  12.991   6.820  10.045
  176    HD3  LYS  26           HD3      LYS  26  11.525   5.840   9.962
  177    HE2  LYS  26           HE2      LYS  26  11.636   6.544  12.192
  178    HE3  LYS  26           HE3      LYS  26  12.245   4.890  12.220
  179    HZ1  LYS  26           HZ1      LYS  26  14.492   6.301  11.830
  180    HZ2  LYS  26           HZ2      LYS  26  13.935   5.798  13.345
  181    HZ3  LYS  26           HZ3      LYS  26  13.610   7.368  12.803
  182    H    TYR  27           H        TYR  27  14.784   1.507   6.291
  183    HA   TYR  27           HA       TYR  27  13.141   2.156   3.992
  184    HB2  TYR  27           HB2      TYR  27  14.816   2.977   2.589
  185    HB3  TYR  27           HB3      TYR  27  15.161   3.776   4.119
  186    HD1  TYR  27           HD2      TYR  27  16.641   1.907   5.672
  187    HD2  TYR  27           HD1      TYR  27  16.776   2.525   1.464
  188    HE1  TYR  27           HE2      TYR  27  18.935   1.021   5.621
  189    HE2  TYR  27           HE1      TYR  27  19.070   1.639   1.402
  190    HH   TYR  27           HH       TYR  27  20.555   0.187   4.220
  191    H    CYS  28           H        CYS  28  13.241   0.599   2.339
  192    HA   CYS  28           HA       CYS  28  13.617  -2.035   3.138
  193    HB2  CYS  28           HB2      CYS  28  13.300  -0.698   0.479
  194    HB3  CYS  28           HB3      CYS  28  13.711  -2.410   0.535
  195    H    ALA  29           H        ALA  29  15.158  -3.627   2.493
  196    HA   ALA  29           HA       ALA  29  17.750  -2.614   1.572
  197    HB1  ALA  29           HB1      ALA  29  17.222  -4.024   4.160
  198    HB2  ALA  29           HB2      ALA  29  18.791  -4.149   3.363
  199    HB3  ALA  29           HB3      ALA  29  18.175  -2.572   3.855
  200    H    TRP  30           H        TRP  30  18.964  -4.068   0.407
  201    HA   TRP  30           HA       TRP  30  17.535  -6.324  -0.666
  202    HB2  TRP  30           HB2      TRP  30  19.993  -4.824  -1.325
  203    HB3  TRP  30           HB3      TRP  30  20.016  -6.533  -1.750
  204    HD1  TRP  30           HD1      TRP  30  19.472  -3.535  -3.471
  205    HE1  TRP  30           HE1      TRP  30  17.742  -3.732  -5.367
  206    HE3  TRP  30           HE3      TRP  30  17.212  -7.896  -2.055
  207    HZ2  TRP  30           HZ2      TRP  30  15.690  -5.503  -6.157
  208    HZ3  TRP  30           HZ3      TRP  30  15.373  -8.774  -3.435
  209    HH2  TRP  30           HH2      TRP  30  14.629  -7.600  -5.443
  210    H    ASP  31           H        ASP  31  18.679  -8.456  -0.924
  211    HA   ASP  31           HA       ASP  31  19.482 -10.362   0.024
  212    HB2  ASP  31           HB2      ASP  31  21.379  -8.620   1.591
  213    HB3  ASP  31           HB3      ASP  31  21.624 -10.275   1.042
  214    H    GLY  32           H        GLY  32  17.306  -8.911   1.335
  215    HA2  GLY  32           HA2      GLY  32  16.059  -9.025   3.258
  216    HA3  GLY  32           HA3      GLY  32  16.952 -10.501   3.593
  217    H    THR  33           H        THR  33  16.540  -9.648   5.837
  218    HA   THR  33           HA       THR  33  17.820  -7.357   6.826
  219    HB   THR  33           HB       THR  33  17.462  -9.835   8.490
  220    HG1  THR  33           HG1      THR  33  15.413  -7.997   7.740
  221   HG21  THR  33          HG21      THR  33  16.497  -7.455   9.695
  222   HG22  THR  33          HG22      THR  33  18.074  -7.098   8.991
  223   HG23  THR  33          HG23      THR  33  17.904  -8.417  10.148
  224    H    PHE  34           H        PHE  34  19.791  -7.028   7.832
  225    HA   PHE  34           HA       PHE  34  21.839  -9.045   7.219
  226    HB2  PHE  34           HB2      PHE  34  21.855  -6.064   7.346
  227    HB3  PHE  34           HB3      PHE  34  23.341  -6.920   7.744
  228    HD1  PHE  34           HD2      PHE  34  24.261  -8.563   6.036
  229    HD2  PHE  34           HD1      PHE  34  21.252  -5.692   5.130
  230    HE1  PHE  34           HE2      PHE  34  24.780  -8.780   3.640
  231    HE2  PHE  34           HE1      PHE  34  21.765  -5.905   2.733
  232    HZ   PHE  34           HZ       PHE  34  23.531  -7.451   1.985
  233    H    SER  35           H        SER  35  22.758 -10.123   8.829
  234    HA   SER  35           HA       SER  35  22.239  -9.272  11.574
  235    HB2  SER  35           HB2      SER  35  21.694 -11.554  11.237
  236    HB3  SER  35           HB3      SER  35  23.189 -11.863  10.355
  237    HG   SER  35           HG       SER  35  23.911 -12.480  12.226
  Start of MODEL   19
    1    H1   GLU   1           H        GLU   1   0.834  -0.898  -2.235
    2    HA   GLU   1           HA       GLU   1   2.522   1.321  -1.884
    3    HB2  GLU   1           HB2      GLU   1   1.375  -0.644   0.100
    4    HB3  GLU   1           HB3      GLU   1   2.279   0.786   0.574
    5    HG2  GLU   1           HG2      GLU   1   0.632   2.237  -0.249
    6    HG3  GLU   1           HG3      GLU   1  -0.154   0.955  -1.168
    7    H    CYS   2           H        CYS   2   3.823  -0.994  -3.150
    8    HA   CYS   2           HA       CYS   2   5.915  -1.612  -1.184
    9    HB2  CYS   2           HB2      CYS   2   5.528  -2.892  -3.892
   10    HB3  CYS   2           HB3      CYS   2   6.520  -3.476  -2.559
   11    H    ARG   3           H        ARG   3   8.046  -1.119  -1.547
   12    HA   ARG   3           HA       ARG   3   8.691   0.369  -3.998
   13    HB2  ARG   3           HB2      ARG   3   9.670   1.197  -1.268
   14    HB3  ARG   3           HB3      ARG   3   9.836   2.074  -2.783
   15    HG2  ARG   3           HG2      ARG   3   7.085   1.694  -2.417
   16    HG3  ARG   3           HG3      ARG   3   7.729   2.173  -0.846
   17    HD2  ARG   3           HD2      ARG   3   8.809   4.111  -1.887
   18    HD3  ARG   3           HD3      ARG   3   8.154   3.631  -3.452
   19    HE   ARG   3           HE       ARG   3   6.167   4.011  -1.401
   20   HH11  ARG   3          HH11      ARG   3   8.038   5.522  -3.918
   21   HH12  ARG   3          HH12      ARG   3   6.918   6.823  -4.149
   22   HH21  ARG   3          HH21      ARG   3   4.684   5.719  -1.696
   23   HH22  ARG   3          HH22      ARG   3   5.011   6.935  -2.884
   24    H    TYR   4           H        TYR   4  11.168   0.735  -4.091
   25    HA   TYR   4           HA       TYR   4  12.391  -1.879  -3.767
   26    HB2  TYR   4           HB2      TYR   4  14.337  -0.549  -4.951
   27    HB3  TYR   4           HB3      TYR   4  12.928  -1.083  -5.861
   28    HD1  TYR   4           HD2      TYR   4  14.537   1.832  -4.268
   29    HD2  TYR   4           HD1      TYR   4  11.423   0.487  -6.837
   30    HE1  TYR   4           HE2      TYR   4  14.116   4.153  -4.963
   31    HE2  TYR   4           HE1      TYR   4  10.994   2.804  -7.540
   32    HH   TYR   4           HH       TYR   4  13.063   5.258  -7.144
   33    H    LEU   5           H        LEU   5  14.978  -1.502  -3.376
   34    HA   LEU   5           HA       LEU   5  15.298  -1.199  -0.652
   35    HB2  LEU   5           HB2      LEU   5  16.886  -2.237  -2.333
   36    HB3  LEU   5           HB3      LEU   5  17.461  -0.602  -2.655
   37    HG   LEU   5           HG       LEU   5  17.511  -1.704   0.130
   38   HD11  LEU   5          HD11      LEU   5  18.622  -3.400  -1.160
   39   HD12  LEU   5          HD12      LEU   5  19.834  -2.444  -0.308
   40   HD13  LEU   5          HD13      LEU   5  19.557  -2.184  -2.030
   41   HD21  LEU   5          HD21      LEU   5  19.533  -0.185   0.182
   42   HD22  LEU   5          HD22      LEU   5  17.968   0.610   0.013
   43   HD23  LEU   5          HD23      LEU   5  19.012   0.410  -1.395
   44    H    PHE   6           H        PHE   6  15.988   1.186  -3.199
   45    HA   PHE   6           HA       PHE   6  16.657   3.235  -1.299
   46    HB2  PHE   6           HB2      PHE   6  16.470   3.041  -4.266
   47    HB3  PHE   6           HB3      PHE   6  16.367   4.643  -3.542
   48    HD1  PHE   6           HD1      PHE   6  18.469   1.571  -3.490
   49    HD2  PHE   6           HD2      PHE   6  18.305   5.805  -3.085
   50    HE1  PHE   6           HE1      PHE   6  20.923   1.647  -3.324
   51    HE2  PHE   6           HE2      PHE   6  20.758   5.888  -2.919
   52    HZ   PHE   6           HZ       PHE   6  22.071   3.807  -3.040
   53    H    GLY   7           H        GLY   7  13.780   1.901  -2.237
   54    HA2  GLY   7           HA2      GLY   7  12.061   4.050  -2.670
   55    HA3  GLY   7           HA3      GLY   7  11.591   2.523  -1.939
   56    H    GLY   8           H        GLY   8  12.261   2.308   0.434
   57    HA2  GLY   8           HA2      GLY   8  12.729   3.473   2.505
   58    HA3  GLY   8           HA3      GLY   8  12.018   4.914   1.794
   59    H    CYS   9           H        CYS   9  11.486   2.942   4.184
   60    HA   CYS   9           HA       CYS   9   8.630   3.344   4.140
   61    HB2  CYS   9           HB2      CYS   9   8.246   0.867   4.714
   62    HB3  CYS   9           HB3      CYS   9   8.521   1.278   3.025
   63    H    SER  10           H        SER  10   7.713   2.111   6.228
   64    HA   SER  10           HA       SER  10   9.531   2.860   8.419
   65    HB2  SER  10           HB2      SER  10   7.650   3.475   9.717
   66    HB3  SER  10           HB3      SER  10   7.314   4.109   8.106
   67    HG   SER  10           HG       SER  10   5.687   2.779   7.924
   68    H    SER  11           H        SER  11   7.655   0.312   7.041
   69    HA   SER  11           HA       SER  11   8.570  -1.481   9.181
   70    HB2  SER  11           HB2      SER  11   5.843  -1.730   7.906
   71    HB3  SER  11           HB3      SER  11   6.465  -2.601   9.307
   72    HG   SER  11           HG       SER  11   5.030  -0.801   9.784
   73    H    THR  12           H        THR  12   8.493  -3.796   8.511
   74    HA   THR  12           HA       THR  12   9.794  -4.113   5.999
   75    HB   THR  12           HB       THR  12   9.906  -6.480   6.523
   76    HG1  THR  12           HG1      THR  12   8.280  -5.953   8.798
   77   HG21  THR  12          HG21      THR  12  11.504  -5.071   7.671
   78   HG22  THR  12          HG22      THR  12  10.983  -6.362   8.755
   79   HG23  THR  12          HG23      THR  12  10.336  -4.732   8.948
   80    H    SER  13           H        SER  13   6.516  -4.372   7.066
   81    HA   SER  13           HA       SER  13   5.466  -6.119   5.156
   82    HB2  SER  13           HB2      SER  13   4.354  -3.937   6.856
   83    HB3  SER  13           HB3      SER  13   3.361  -4.522   5.522
   84    HG   SER  13           HG       SER  13   2.997  -6.289   6.596
   85    H    ASP  14           H        ASP  14   6.605  -2.885   4.855
   86    HA   ASP  14           HA       ASP  14   5.161  -2.185   2.498
   87    HB2  ASP  14           HB2      ASP  14   6.536  -0.720   4.251
   88    HB3  ASP  14           HB3      ASP  14   7.816  -0.958   3.064
   89    H    CYS  15           H        CYS  15   8.322  -3.617   3.134
   90    HA   CYS  15           HA       CYS  15   9.224  -3.570   0.444
   91    HB2  CYS  15           HB2      CYS  15  10.064  -5.348   2.744
   92    HB3  CYS  15           HB3      CYS  15  10.931  -5.182   1.220
   93    H    CYS  16           H        CYS  16   8.464  -4.705  -1.202
   94    HA   CYS  16           HA       CYS  16   7.282  -7.352  -0.664
   95    HB2  CYS  16           HB2      CYS  16   6.497  -5.448  -2.879
   96    HB3  CYS  16           HB3      CYS  16   5.733  -6.987  -2.492
   97    H    LYS  17           H        LYS  17   9.778  -5.700  -2.135
   98    HA   LYS  17           HA       LYS  17  10.102  -7.609  -4.322
   99    HB2  LYS  17           HB2      LYS  17  10.645  -4.926  -4.140
  100    HB3  LYS  17           HB3      LYS  17  12.234  -5.638  -3.888
  101    HG2  LYS  17           HG2      LYS  17  12.238  -5.416  -6.156
  102    HG3  LYS  17           HG3      LYS  17  11.584  -7.049  -6.005
  103    HD2  LYS  17           HD2      LYS  17   9.283  -5.946  -6.034
  104    HD3  LYS  17           HD3      LYS  17  10.115  -4.489  -6.582
  105    HE2  LYS  17           HE2      LYS  17   9.364  -5.597  -8.531
  106    HE3  LYS  17           HE3      LYS  17  11.098  -5.896  -8.432
  107    HZ1  LYS  17           HZ1      LYS  17  10.792  -8.086  -8.029
  108    HZ2  LYS  17           HZ2      LYS  17   9.352  -7.816  -8.875
  109    HZ3  LYS  17           HZ3      LYS  17   9.344  -7.863  -7.184
  110    H    HIS  18           H        HIS  18  10.306  -8.650  -1.700
  111    HA   HIS  18           HA       HIS  18  11.608 -10.074  -0.494
  112    HB2  HIS  18           HB2      HIS  18  13.660  -9.846  -2.695
  113    HB3  HIS  18           HB3      HIS  18  13.429 -11.181  -1.570
  114    HD1  HIS  18           HD1      HIS  18  12.749 -10.284  -4.941
  115    HD2  HIS  18           HD2      HIS  18  10.683 -12.382  -2.010
  116    HE1  HIS  18           HE1      HIS  18  11.035 -11.649  -6.174
  117    H    LEU  19           H        LEU  19  11.871  -7.140  -0.270
  118    HA   LEU  19           HA       LEU  19  14.643  -6.912   0.675
  119    HB2  LEU  19           HB2      LEU  19  12.600  -4.742   0.230
  120    HB3  LEU  19           HB3      LEU  19  14.291  -4.509   0.670
  121    HG   LEU  19           HG       LEU  19  13.798  -5.992  -1.836
  122   HD11  LEU  19          HD11      LEU  19  13.383  -3.013  -1.743
  123   HD12  LEU  19          HD12      LEU  19  12.065  -4.181  -1.827
  124   HD13  LEU  19          HD13      LEU  19  13.241  -4.083  -3.137
  125   HD21  LEU  19          HD21      LEU  19  15.604  -3.655  -1.261
  126   HD22  LEU  19          HD22      LEU  19  15.743  -4.848  -2.552
  127   HD23  LEU  19          HD23      LEU  19  16.035  -5.322  -0.878
  128    H    SER  20           H        SER  20  14.966  -5.666   2.701
  129    HA   SER  20           HA       SER  20  12.803  -6.200   4.631
  130    HB2  SER  20           HB2      SER  20  15.754  -6.695   4.814
  131    HB3  SER  20           HB3      SER  20  14.839  -6.352   6.282
  132    HG   SER  20           HG       SER  20  13.379  -8.099   5.215
  133    H    CYS  21           H        CYS  21  11.984  -4.400   5.443
  134    HA   CYS  21           HA       CYS  21  13.285  -1.869   5.162
  135    HB2  CYS  21           HB2      CYS  21  10.717  -2.508   5.256
  136    HB3  CYS  21           HB3      CYS  21  10.944  -2.235   6.981
  137    H    ARG  22           H        ARG  22  15.052  -1.505   6.364
  138    HA   ARG  22           HA       ARG  22  15.408  -2.544   8.996
  139    HB2  ARG  22           HB2      ARG  22  16.939  -0.353   7.582
  140    HB3  ARG  22           HB3      ARG  22  17.460  -1.213   9.024
  141    HG2  ARG  22           HG2      ARG  22  16.816  -2.863   6.660
  142    HG3  ARG  22           HG3      ARG  22  18.266  -1.860   6.566
  143    HD2  ARG  22           HD2      ARG  22  17.783  -3.533   8.991
  144    HD3  ARG  22           HD3      ARG  22  18.393  -4.292   7.521
  145    HE   ARG  22           HE       ARG  22  19.940  -2.018   8.103
  146   HH11  ARG  22          HH11      ARG  22  19.321  -5.230   9.295
  147   HH12  ARG  22          HH12      ARG  22  20.895  -5.415   9.994
  148   HH21  ARG  22          HH21      ARG  22  22.016  -2.249   9.020
  149   HH22  ARG  22          HH22      ARG  22  22.427  -3.718   9.838
  150    H    SER  23           H        SER  23  14.963  -1.662  10.927
  151    HA   SER  23           HA       SER  23  13.296   0.669  11.034
  152    HB2  SER  23           HB2      SER  23  12.755  -0.014  13.144
  153    HB3  SER  23           HB3      SER  23  13.442  -1.535  12.575
  154    HG   SER  23           HG       SER  23  14.507   0.362  14.331
  155    H    ASP  24           H        ASP  24  16.576   0.283  10.844
  156    HA   ASP  24           HA       ASP  24  17.358   2.385  12.660
  157    HB2  ASP  24           HB2      ASP  24  18.791   0.381  12.016
  158    HB3  ASP  24           HB3      ASP  24  19.042   1.179  10.466
  159    H    TRP  25           H        TRP  25  17.563   1.996   9.117
  160    HA   TRP  25           HA       TRP  25  17.699   4.905   8.847
  161    HB2  TRP  25           HB2      TRP  25  18.490   2.592   7.162
  162    HB3  TRP  25           HB3      TRP  25  17.955   4.041   6.315
  163    HD1  TRP  25           HD1      TRP  25  20.351   3.456   9.330
  164    HE1  TRP  25           HE1      TRP  25  22.483   4.837   8.912
  165    HE3  TRP  25           HE3      TRP  25  19.113   5.514   4.817
  166    HZ2  TRP  25           HZ2      TRP  25  23.504   6.570   6.932
  167    HZ3  TRP  25           HZ3      TRP  25  20.723   7.023   3.728
  168    HH2  TRP  25           HH2      TRP  25  22.872   7.539   4.765
  169    H    LYS  26           H        LYS  26  15.424   2.439   8.757
  170    HA   LYS  26           HA       LYS  26  13.225   2.363   8.182
  171    HB2  LYS  26           HB2      LYS  26  13.417   5.313   7.581
  172    HB3  LYS  26           HB3      LYS  26  11.988   4.399   8.046
  173    HG2  LYS  26           HG2      LYS  26  13.333   3.926  10.224
  174    HG3  LYS  26           HG3      LYS  26  14.264   5.342   9.728
  175    HD2  LYS  26           HD2      LYS  26  12.640   6.336  11.009
  176    HD3  LYS  26           HD3      LYS  26  11.875   6.399   9.420
  177    HE2  LYS  26           HE2      LYS  26  10.688   4.293   9.960
  178    HE3  LYS  26           HE3      LYS  26  11.390   4.346  11.576
  179    HZ1  LYS  26           HZ1      LYS  26   9.656   5.571  12.165
  180    HZ2  LYS  26           HZ2      LYS  26   9.117   5.713  10.568
  181    HZ3  LYS  26           HZ3      LYS  26  10.241   6.817  11.182
  182    H    TYR  27           H        TYR  27  14.849   1.478   6.253
  183    HA   TYR  27           HA       TYR  27  13.374   2.143   3.848
  184    HB2  TYR  27           HB2      TYR  27  15.178   2.823   2.519
  185    HB3  TYR  27           HB3      TYR  27  15.443   3.676   4.036
  186    HD1  TYR  27           HD2      TYR  27  16.768   1.906   5.779
  187    HD2  TYR  27           HD1      TYR  27  17.160   2.172   1.551
  188    HE1  TYR  27           HE2      TYR  27  19.024   0.936   5.933
  189    HE2  TYR  27           HE1      TYR  27  19.416   1.202   1.693
  190    HH   TYR  27           HH       TYR  27  21.266   1.120   3.631
  191    H    CYS  28           H        CYS  28  13.468   0.534   2.254
  192    HA   CYS  28           HA       CYS  28  13.694  -2.091   3.144
  193    HB2  CYS  28           HB2      CYS  28  13.570  -0.842   0.420
  194    HB3  CYS  28           HB3      CYS  28  13.828  -2.576   0.581
  195    H    ALA  29           H        ALA  29  15.174  -3.778   2.509
  196    HA   ALA  29           HA       ALA  29  17.845  -2.889   1.702
  197    HB1  ALA  29           HB1      ALA  29  17.320  -4.550   4.164
  198    HB2  ALA  29           HB2      ALA  29  18.907  -4.140   3.510
  199    HB3  ALA  29           HB3      ALA  29  17.859  -2.871   4.143
  200    H    TRP  30           H        TRP  30  19.030  -4.401   0.586
  201    HA   TRP  30           HA       TRP  30  17.547  -6.584  -0.547
  202    HB2  TRP  30           HB2      TRP  30  20.126  -5.237  -1.063
  203    HB3  TRP  30           HB3      TRP  30  20.068  -6.946  -1.486
  204    HD1  TRP  30           HD1      TRP  30  19.808  -3.926  -3.235
  205    HE1  TRP  30           HE1      TRP  30  18.181  -4.025  -5.227
  206    HE3  TRP  30           HE3      TRP  30  17.209  -8.138  -1.953
  207    HZ2  TRP  30           HZ2      TRP  30  16.075  -5.670  -6.135
  208    HZ3  TRP  30           HZ3      TRP  30  15.403  -8.907  -3.437
  209    HH2  TRP  30           HH2      TRP  30  14.849  -7.697  -5.484
  210    H    ASP  31           H        ASP  31  18.572  -8.782  -0.733
  211    HA   ASP  31           HA       ASP  31  19.133 -10.733   0.299
  212    HB2  ASP  31           HB2      ASP  31  21.365  -9.345   0.170
  213    HB3  ASP  31           HB3      ASP  31  21.192  -9.289   1.922
  214    H    GLY  32           H        GLY  32  17.126  -9.018   1.577
  215    HA2  GLY  32           HA2      GLY  32  15.851  -9.028   3.486
  216    HA3  GLY  32           HA3      GLY  32  16.701 -10.502   3.924
  217    H    THR  33           H        THR  33  16.778  -9.941   6.109
  218    HA   THR  33           HA       THR  33  17.826  -7.473   7.046
  219    HB   THR  33           HB       THR  33  17.881  -8.507   9.249
  220    HG1  THR  33           HG1      THR  33  17.115 -10.819   9.253
  221   HG21  THR  33          HG21      THR  33  15.404  -9.732   8.224
  222   HG22  THR  33          HG22      THR  33  15.648  -8.039   7.792
  223   HG23  THR  33          HG23      THR  33  15.633  -8.524   9.488
  224    H    PHE  34           H        PHE  34  19.860  -6.856   7.502
  225    HA   PHE  34           HA       PHE  34  22.021  -8.615   6.677
  226    HB2  PHE  34           HB2      PHE  34  21.894  -5.693   7.413
  227    HB3  PHE  34           HB3      PHE  34  23.420  -6.526   7.133
  228    HD1  PHE  34           HD2      PHE  34  23.156  -8.107   4.859
  229    HD2  PHE  34           HD1      PHE  34  21.269  -4.376   5.655
  230    HE1  PHE  34           HE2      PHE  34  22.930  -7.709   2.441
  231    HE2  PHE  34           HE1      PHE  34  21.039  -3.973   3.239
  232    HZ   PHE  34           HZ       PHE  34  21.870  -5.640   1.629
  233    H    SER  35           H        SER  35  23.948  -8.880   7.996
  234    HA   SER  35           HA       SER  35  23.449  -8.673  10.887
  235    HB2  SER  35           HB2      SER  35  22.986 -10.972  10.344
  236    HB3  SER  35           HB3      SER  35  24.461 -11.098   9.387
  237    HG   SER  35           HG       SER  35  24.334 -10.640  12.187
  Start of MODEL   20
    1    H1   GLU   1           H        GLU   1   0.538  -1.350  -1.134
    2    HA   GLU   1           HA       GLU   1   1.996   0.477  -2.851
    3    HB2  GLU   1           HB2      GLU   1   0.998   0.523  -0.046
    4    HB3  GLU   1           HB3      GLU   1   2.366   1.552  -0.445
    5    HG2  GLU   1           HG2      GLU   1   0.642   2.987  -0.836
    6    HG3  GLU   1           HG3      GLU   1   0.836   2.284  -2.440
    7    H    CYS   2           H        CYS   2   3.573  -1.314  -3.328
    8    HA   CYS   2           HA       CYS   2   5.570  -1.659  -1.206
    9    HB2  CYS   2           HB2      CYS   2   5.485  -3.060  -3.880
   10    HB3  CYS   2           HB3      CYS   2   6.417  -3.515  -2.458
   11    H    ARG   3           H        ARG   3   7.773  -1.229  -1.576
   12    HA   ARG   3           HA       ARG   3   8.379   0.412  -3.939
   13    HB2  ARG   3           HB2      ARG   3   9.420   1.080  -1.191
   14    HB3  ARG   3           HB3      ARG   3   9.486   2.065  -2.647
   15    HG2  ARG   3           HG2      ARG   3   6.774   1.595  -2.215
   16    HG3  ARG   3           HG3      ARG   3   7.451   1.921  -0.619
   17    HD2  ARG   3           HD2      ARG   3   8.496   3.971  -1.528
   18    HD3  ARG   3           HD3      ARG   3   7.708   3.655  -3.073
   19    HE   ARG   3           HE       ARG   3   5.881   3.769  -0.861
   20   HH11  ARG   3          HH11      ARG   3   7.615   5.640  -3.231
   21   HH12  ARG   3          HH12      ARG   3   6.499   6.964  -3.193
   22   HH21  ARG   3          HH21      ARG   3   4.405   5.507  -0.803
   23   HH22  ARG   3          HH22      ARG   3   4.674   6.888  -1.811
   24    H    TYR   4           H        TYR   4  10.853   0.809  -4.032
   25    HA   TYR   4           HA       TYR   4  12.106  -1.810  -3.857
   26    HB2  TYR   4           HB2      TYR   4  14.004  -0.414  -5.043
   27    HB3  TYR   4           HB3      TYR   4  12.579  -0.934  -5.935
   28    HD1  TYR   4           HD2      TYR   4  14.199   1.943  -4.286
   29    HD2  TYR   4           HD1      TYR   4  11.026   0.651  -6.809
   30    HE1  TYR   4           HE2      TYR   4  13.732   4.282  -4.887
   31    HE2  TYR   4           HE1      TYR   4  10.550   2.986  -7.417
   32    HH   TYR   4           HH       TYR   4  12.628   5.470  -6.934
   33    H    LEU   5           H        LEU   5  14.699  -1.411  -3.521
   34    HA   LEU   5           HA       LEU   5  15.089  -1.207  -0.798
   35    HB2  LEU   5           HB2      LEU   5  16.657  -2.176  -2.499
   36    HB3  LEU   5           HB3      LEU   5  17.156  -0.530  -2.882
   37    HG   LEU   5           HG       LEU   5  17.385  -1.565  -0.081
   38   HD11  LEU   5          HD11      LEU   5  19.702  -2.245  -0.618
   39   HD12  LEU   5          HD12      LEU   5  19.338  -2.027  -2.329
   40   HD13  LEU   5          HD13      LEU   5  18.483  -3.254  -1.396
   41   HD21  LEU   5          HD21      LEU   5  17.761   0.755  -0.264
   42   HD22  LEU   5          HD22      LEU   5  18.724   0.564  -1.729
   43   HD23  LEU   5          HD23      LEU   5  19.361   0.018  -0.176
   44    H    PHE   6           H        PHE   6  15.674   1.290  -3.264
   45    HA   PHE   6           HA       PHE   6  16.351   3.273  -1.297
   46    HB2  PHE   6           HB2      PHE   6  16.079   3.212  -4.269
   47    HB3  PHE   6           HB3      PHE   6  16.016   4.774  -3.458
   48    HD1  PHE   6           HD1      PHE   6  18.107   1.889  -4.277
   49    HD2  PHE   6           HD2      PHE   6  17.962   5.692  -2.371
   50    HE1  PHE   6           HE1      PHE   6  20.565   1.937  -4.193
   51    HE2  PHE   6           HE2      PHE   6  20.420   5.746  -2.284
   52    HZ   PHE   6           HZ       PHE   6  21.725   3.868  -3.196
   53    H    GLY   7           H        GLY   7  13.477   1.929  -2.237
   54    HA2  GLY   7           HA2      GLY   7  11.703   4.039  -2.565
   55    HA3  GLY   7           HA3      GLY   7  11.289   2.495  -1.834
   56    H    GLY   8           H        GLY   8  12.038   2.274   0.514
   57    HA2  GLY   8           HA2      GLY   8  12.543   3.425   2.582
   58    HA3  GLY   8           HA3      GLY   8  11.789   4.861   1.907
   59    H    CYS   9           H        CYS   9  11.363   2.799   4.267
   60    HA   CYS   9           HA       CYS   9   8.507   3.192   4.344
   61    HB2  CYS   9           HB2      CYS   9   8.148   0.695   4.837
   62    HB3  CYS   9           HB3      CYS   9   8.364   1.169   3.155
   63    H    SER  10           H        SER  10   7.671   1.879   6.416
   64    HA   SER  10           HA       SER  10   9.573   2.537   8.565
   65    HB2  SER  10           HB2      SER  10   7.474   3.887   8.497
   66    HB3  SER  10           HB3      SER  10   6.554   2.403   8.741
   67    HG   SER  10           HG       SER  10   8.309   3.717  10.512
   68    H    SER  11           H        SER  11   7.633   0.060   7.157
   69    HA   SER  11           HA       SER  11   8.567  -1.811   9.224
   70    HB2  SER  11           HB2      SER  11   5.783  -1.386   8.225
   71    HB3  SER  11           HB3      SER  11   6.286  -3.026   8.632
   72    HG   SER  11           HG       SER  11   6.921  -2.168  10.705
   73    H    THR  12           H        THR  12   8.526  -4.094   8.480
   74    HA   THR  12           HA       THR  12   9.814  -4.317   5.950
   75    HB   THR  12           HB       THR  12   9.918  -6.718   6.400
   76    HG1  THR  12           HG1      THR  12   8.520  -7.629   7.701
   77   HG21  THR  12          HG21      THR  12  10.718  -6.339   8.977
   78   HG22  THR  12          HG22      THR  12  10.746  -4.689   8.356
   79   HG23  THR  12          HG23      THR  12  11.689  -5.947   7.559
   80    H    SER  13           H        SER  13   6.547  -4.621   7.019
   81    HA   SER  13           HA       SER  13   5.490  -6.343   5.097
   82    HB2  SER  13           HB2      SER  13   4.148  -5.669   6.983
   83    HB3  SER  13           HB3      SER  13   4.234  -3.975   6.500
   84    HG   SER  13           HG       SER  13   2.989  -6.065   5.033
   85    H    ASP  14           H        ASP  14   6.630  -3.105   4.817
   86    HA   ASP  14           HA       ASP  14   5.194  -2.398   2.456
   87    HB2  ASP  14           HB2      ASP  14   7.599  -1.278   3.868
   88    HB3  ASP  14           HB3      ASP  14   7.122  -0.666   2.287
   89    H    CYS  15           H        CYS  15   8.369  -3.803   3.100
   90    HA   CYS  15           HA       CYS  15   9.295  -3.738   0.425
   91    HB2  CYS  15           HB2      CYS  15  10.090  -5.530   2.730
   92    HB3  CYS  15           HB3      CYS  15  10.966  -5.405   1.208
   93    H    CYS  16           H        CYS  16   8.496  -4.815  -1.241
   94    HA   CYS  16           HA       CYS  16   7.316  -7.474  -0.766
   95    HB2  CYS  16           HB2      CYS  16   6.545  -5.461  -2.889
   96    HB3  CYS  16           HB3      CYS  16   5.823  -7.051  -2.667
   97    H    LYS  17           H        LYS  17   9.788  -5.760  -2.251
   98    HA   LYS  17           HA       LYS  17  10.135  -7.675  -4.429
   99    HB2  LYS  17           HB2      LYS  17  11.386  -5.041  -3.728
  100    HB3  LYS  17           HB3      LYS  17  12.201  -6.131  -4.842
  101    HG2  LYS  17           HG2      LYS  17   9.356  -5.265  -5.246
  102    HG3  LYS  17           HG3      LYS  17  10.728  -4.335  -5.854
  103    HD2  LYS  17           HD2      LYS  17  10.362  -7.256  -6.471
  104    HD3  LYS  17           HD3      LYS  17   9.647  -5.985  -7.465
  105    HE2  LYS  17           HE2      LYS  17  12.571  -5.971  -6.804
  106    HE3  LYS  17           HE3      LYS  17  11.948  -6.945  -8.135
  107    HZ1  LYS  17           HZ1      LYS  17  10.802  -4.608  -8.662
  108    HZ2  LYS  17           HZ2      LYS  17  12.310  -5.060  -9.281
  109    HZ3  LYS  17           HZ3      LYS  17  12.220  -4.062  -7.917
  110    H    HIS  18           H        HIS  18  10.391  -8.698  -1.808
  111    HA   HIS  18           HA       HIS  18  11.739 -10.082  -0.606
  112    HB2  HIS  18           HB2      HIS  18  12.624 -10.306  -3.256
  113    HB3  HIS  18           HB3      HIS  18  14.088 -10.107  -2.297
  114    HD1  HIS  18           HD1      HIS  18  12.680 -12.751  -3.757
  115    HD2  HIS  18           HD2      HIS  18  13.259 -11.949   0.278
  116    HE1  HIS  18           HE1      HIS  18  12.658 -14.992  -2.616
  117    H    LEU  19           H        LEU  19  11.913  -7.168  -0.345
  118    HA   LEU  19           HA       LEU  19  14.703  -6.830   0.508
  119    HB2  LEU  19           HB2      LEU  19  12.515  -4.793   0.119
  120    HB3  LEU  19           HB3      LEU  19  14.157  -4.430   0.646
  121    HG   LEU  19           HG       LEU  19  13.887  -5.859  -1.930
  122   HD11  LEU  19          HD11      LEU  19  13.250  -3.953  -3.185
  123   HD12  LEU  19          HD12      LEU  19  13.289  -2.916  -1.760
  124   HD13  LEU  19          HD13      LEU  19  12.041  -4.152  -1.916
  125   HD21  LEU  19          HD21      LEU  19  16.036  -5.105  -0.868
  126   HD22  LEU  19          HD22      LEU  19  15.514  -3.445  -1.160
  127   HD23  LEU  19          HD23      LEU  19  15.774  -4.540  -2.518
  128    H    SER  20           H        SER  20  15.032  -5.591   2.550
  129    HA   SER  20           HA       SER  20  12.990  -6.305   4.552
  130    HB2  SER  20           HB2      SER  20  15.984  -6.565   4.647
  131    HB3  SER  20           HB3      SER  20  15.048  -6.416   6.134
  132    HG   SER  20           HG       SER  20  14.303  -8.377   5.869
  133    H    CYS  21           H        CYS  21  12.095  -4.576   5.436
  134    HA   CYS  21           HA       CYS  21  13.298  -1.974   5.207
  135    HB2  CYS  21           HB2      CYS  21  10.749  -2.718   5.208
  136    HB3  CYS  21           HB3      CYS  21  10.918  -2.453   6.941
  137    H    ARG  22           H        ARG  22  15.081  -1.738   6.457
  138    HA   ARG  22           HA       ARG  22  15.194  -2.713   9.159
  139    HB2  ARG  22           HB2      ARG  22  17.063  -0.943   7.576
  140    HB3  ARG  22           HB3      ARG  22  17.393  -1.518   9.204
  141    HG2  ARG  22           HG2      ARG  22  16.947  -3.868   8.097
  142    HG3  ARG  22           HG3      ARG  22  17.398  -2.996   6.630
  143    HD2  ARG  22           HD2      ARG  22  19.398  -3.925   7.459
  144    HD3  ARG  22           HD3      ARG  22  19.451  -2.216   7.891
  145    HE   ARG  22           HE       ARG  22  18.330  -3.715  10.004
  146   HH11  ARG  22          HH11      ARG  22  21.367  -3.076   8.428
  147   HH12  ARG  22          HH12      ARG  22  22.316  -3.384   9.844
  148   HH21  ARG  22          HH21      ARG  22  19.568  -4.123  11.876
  149   HH22  ARG  22          HH22      ARG  22  21.292  -3.980  11.805
  150    H    SER  23           H        SER  23  15.009  -1.580  11.040
  151    HA   SER  23           HA       SER  23  13.514   0.864  10.947
  152    HB2  SER  23           HB2      SER  23  13.206  -0.963  12.667
  153    HB3  SER  23           HB3      SER  23  14.728  -0.442  13.389
  154    HG   SER  23           HG       SER  23  12.678   1.424  12.916
  155    H    ASP  24           H        ASP  24  16.815   0.090  10.997
  156    HA   ASP  24           HA       ASP  24  17.871   2.239  12.477
  157    HB2  ASP  24           HB2      ASP  24  19.121   0.188  11.698
  158    HB3  ASP  24           HB3      ASP  24  19.176   0.916  10.095
  159    H    TRP  25           H        TRP  25  17.617   1.883   8.934
  160    HA   TRP  25           HA       TRP  25  17.808   4.801   8.695
  161    HB2  TRP  25           HB2      TRP  25  18.447   2.514   6.890
  162    HB3  TRP  25           HB3      TRP  25  17.953   4.036   6.152
  163    HD1  TRP  25           HD1      TRP  25  20.512   3.005   8.901
  164    HE1  TRP  25           HE1      TRP  25  22.667   4.357   8.510
  165    HE3  TRP  25           HE3      TRP  25  19.027   5.743   4.847
  166    HZ2  TRP  25           HZ2      TRP  25  23.611   6.325   6.720
  167    HZ3  TRP  25           HZ3      TRP  25  20.616   7.338   3.856
  168    HH2  TRP  25           HH2      TRP  25  22.860   7.622   4.774
  169    H    LYS  26           H        LYS  26  15.540   2.323   8.692
  170    HA   LYS  26           HA       LYS  26  13.311   2.249   8.245
  171    HB2  LYS  26           HB2      LYS  26  13.447   5.207   7.679
  172    HB3  LYS  26           HB3      LYS  26  12.061   4.275   8.231
  173    HG2  LYS  26           HG2      LYS  26  13.493   3.796  10.318
  174    HG3  LYS  26           HG3      LYS  26  14.469   5.160   9.769
  175    HD2  LYS  26           HD2      LYS  26  11.487   5.292  10.193
  176    HD3  LYS  26           HD3      LYS  26  12.675   5.745  11.418
  177    HE2  LYS  26           HE2      LYS  26  13.634   7.307   9.624
  178    HE3  LYS  26           HE3      LYS  26  12.117   7.040   8.767
  179    HZ1  LYS  26           HZ1      LYS  26  11.178   7.661  11.152
  180    HZ2  LYS  26           HZ2      LYS  26  11.516   8.831   9.979
  181    HZ3  LYS  26           HZ3      LYS  26  12.628   8.530  11.218
  182    H    TYR  27           H        TYR  27  14.878   1.447   6.201
  183    HA   TYR  27           HA       TYR  27  13.235   2.100   3.904
  184    HB2  TYR  27           HB2      TYR  27  14.915   2.896   2.491
  185    HB3  TYR  27           HB3      TYR  27  15.267   3.703   4.015
  186    HD1  TYR  27           HD2      TYR  27  16.739   1.847   5.583
  187    HD2  TYR  27           HD1      TYR  27  16.867   2.411   1.368
  188    HE1  TYR  27           HE2      TYR  27  19.025   0.942   5.538
  189    HE2  TYR  27           HE1      TYR  27  19.154   1.506   1.311
  190    HH   TYR  27           HH       TYR  27  20.507  -0.181   2.936
  191    H    CYS  28           H        CYS  28  13.310   0.533   2.262
  192    HA   CYS  28           HA       CYS  28  13.668  -2.100   3.073
  193    HB2  CYS  28           HB2      CYS  28  13.345  -0.774   0.410
  194    HB3  CYS  28           HB3      CYS  28  13.746  -2.487   0.469
  195    H    ALA  29           H        ALA  29  15.190  -3.710   2.421
  196    HA   ALA  29           HA       ALA  29  17.787  -2.722   1.488
  197    HB1  ALA  29           HB1      ALA  29  18.819  -4.271   3.274
  198    HB2  ALA  29           HB2      ALA  29  18.226  -2.685   3.768
  199    HB3  ALA  29           HB3      ALA  29  17.256  -4.124   4.080
  200    H    TRP  30           H        TRP  30  18.984  -4.187   0.320
  201    HA   TRP  30           HA       TRP  30  17.529  -6.433  -0.745
  202    HB2  TRP  30           HB2      TRP  30  19.990  -4.948  -1.425
  203    HB3  TRP  30           HB3      TRP  30  20.000  -6.658  -1.848
  204    HD1  TRP  30           HD1      TRP  30  19.458  -3.659  -3.568
  205    HE1  TRP  30           HE1      TRP  30  17.712  -3.849  -5.450
  206    HE3  TRP  30           HE3      TRP  30  17.185  -8.006  -2.129
  207    HZ2  TRP  30           HZ2      TRP  30  15.644  -5.608  -6.221
  208    HZ3  TRP  30           HZ3      TRP  30  15.331  -8.875  -3.493
  209    HH2  TRP  30           HH2      TRP  30  14.577  -7.699  -5.496
  210    H    ASP  31           H        ASP  31  18.657  -8.572  -1.011
  211    HA   ASP  31           HA       ASP  31  19.433 -10.487  -0.057
  212    HB2  ASP  31           HB2      ASP  31  21.404  -8.743   1.420
  213    HB3  ASP  31           HB3      ASP  31  21.602 -10.422   0.927
  214    H    GLY  32           H        GLY  32  17.243  -9.257   1.230
  215    HA2  GLY  32           HA2      GLY  32  16.024  -9.391   3.170
  216    HA3  GLY  32           HA3      GLY  32  17.102 -10.708   3.608
  217    H    THR  33           H        THR  33  16.972 -10.035   5.800
  218    HA   THR  33           HA       THR  33  17.964  -7.420   6.533
  219    HB   THR  33           HB       THR  33  17.394  -9.746   8.374
  220    HG1  THR  33           HG1      THR  33  15.311  -8.755   8.579
  221   HG21  THR  33          HG21      THR  33  18.351  -8.269   9.797
  222   HG22  THR  33          HG22      THR  33  16.765  -7.501   9.739
  223   HG23  THR  33          HG23      THR  33  18.075  -6.897   8.725
  224    H    PHE  34           H        PHE  34  19.913  -6.940   7.473
  225    HA   PHE  34           HA       PHE  34  22.019  -8.917   7.084
  226    HB2  PHE  34           HB2      PHE  34  22.038  -5.948   7.606
  227    HB3  PHE  34           HB3      PHE  34  23.508  -6.916   7.654
  228    HD1  PHE  34           HD2      PHE  34  24.429  -7.884   5.632
  229    HD2  PHE  34           HD1      PHE  34  20.911  -5.490   5.527
  230    HE1  PHE  34           HE2      PHE  34  24.659  -7.659   3.192
  231    HE2  PHE  34           HE1      PHE  34  21.135  -5.262   3.088
  232    HZ   PHE  34           HZ       PHE  34  23.010  -6.347   1.917
  233    H    SER  35           H        SER  35  22.351 -10.261   8.731
  234    HA   SER  35           HA       SER  35  22.183  -9.204  11.472
  235    HB2  SER  35           HB2      SER  35  21.920 -12.027  10.419
  236    HB3  SER  35           HB3      SER  35  21.996 -11.627  12.135
  237    HG   SER  35           HG       SER  35  20.115 -10.354  11.834