*HEADER    HYDROLASE                               24-FEB-16   5ID5              
*TITLE     SOLUTION STRUCTURE OF PORCINE LACTOFERRICIN                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LACTOFERRIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 36-60;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   4 ORGANISM_COMMON: PIG;                                                
*SOURCE   5 ORGANISM_TAXID: 9823                                                 
*KEYWDS    LACTOFERRICIN, PORCINE, HYDROLASE                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    M.S.CHAN,M.K.TSE,K.C.LO,K.H.SZE                                       
*REVDAT   1   01-MAR-17 5ID5    0                                                
# Restraints file 1: final.upl
 14 ASN  HA     16 ILE  H       5.01            #peak     2 #SUP  0.95  #QF  0.95
  6 TRP  HA      9 LYS  H       4.13            #peak     5 #SUP  0.98  #QF  0.98
  6 TRP  HA      6 TRP  HD1     3.27            #peak     7 #SUP  0.92  #QF  0.92
 13 THR  HA     14 ASN  H       3.52            #peak     8 #SUP  0.99  #QF  0.99
  3 CYSS HA      6 TRP  HE3     3.88            #peak    12 #SUP  0.84  #QF  0.84
  2 LYS  HA      5 GLN  H       4.55            #peak    18 #SUP  0.88  #QF  0.63
  3 CYSS HA      6 TRP  H       5.01            #peak    18 #SUP  0.88  #QF  0.63
  1 SER  HA      2 LYS  H       3.17            #peak    19 #SUP  0.99  #QF  0.59
 12 ARG  HA     12 ARG  HE      4.79            #peak    22 #SUP  0.81  #QF  0.81
  4 ARG  HA      7 GLN  H       3.97            #peak    25 #SUP  0.90  #QF  0.90
  8 SER  HA     11 ARG  H       4.20            #peak    27 #SUP  0.81  #QF  0.81
  1 SER  QB      2 LYS  H       4.24            #peak    30 #SUP  0.80  #QF  0.80
  8 SER  H       8 SER  HB2     3.81            #peak    32 #SUP  0.87  #QF  0.39
  8 SER  H       8 SER  HB3     3.81            #peak    33 #SUP  0.81  #QF  0.81
  9 LYS  HA     12 ARG  H       4.09            #peak    37 #SUP  1.00  #QF  0.64
  9 LYS  HA     13 THR  H       4.68            #peak    38 #SUP  0.83  #QF  0.42
 11 ARG  HA     13 THR  H       5.12            #peak    38 #SUP  0.83  #QF  0.42
  7 GLN  HA     10 ILE  H       3.99            #peak    40 #SUP  0.81  #QF  0.81
  6 TRP  HE3     7 GLN  HA      4.50            #peak    43 #SUP  0.98  #QF  0.98
  6 TRP  HD1     7 GLN  HA      5.37            #peak    45 #SUP  0.98  #QF  0.98
 16 ILE  HA     18 CYSS H       4.55            #peak    46 #SUP  0.77  #QF  0.77
  6 TRP  QB      7 GLN  H       3.47            #peak    51 #SUP  0.96  #QF  0.96
  6 TRP  H       6 TRP  QB      3.16            #peak    52 #SUP  0.83  #QF  0.83
  6 TRP  QB      6 TRP  HD1     3.04            #peak    54 #SUP  0.93  #QF  0.93
  6 TRP  QB      6 TRP  HE3     3.27            #peak    55 #SUP  0.88  #QF  0.88
 17 PHE  HB3    18 CYSS H       3.91            #peak    56 #SUP  0.82  #QF  0.82
 17 PHE  H      17 PHE  HB3     3.54            #peak    57 #SUP  0.95  #QF  0.95
  4 ARG  H       4 ARG  QD      4.51            #peak    59 #SUP  0.94  #QF  0.38
 17 PHE  HB2    18 CYSS H       5.04            #peak    59 #SUP  0.94  #QF  0.38
 17 PHE  H      17 PHE  HB2     3.49            #peak    60 #SUP  0.95  #QF  0.95
 18 CYSS HB3    19 ILE  H       4.07            #peak    62 #SUP  0.98  #QF  0.98
 18 CYSS H      18 CYSS HB3     3.76            #peak    63 #SUP  0.97  #QF  0.97
 14 ASN  H      14 ASN  HB2     3.72            #peak    65 #SUP  0.98  #QF  0.98
 18 CYSS H      18 CYSS HB2     3.84            #peak    69 #SUP  0.98  #QF  0.98
 14 ASN  H      14 ASN  HB3     3.65            #peak    70 #SUP  0.97  #QF  0.97
  5 GLN  H       5 GLN  QG      4.32            #peak    71 #SUP  0.93  #QF  0.88
  5 GLN  QG      6 TRP  H       4.86            #peak    71 #SUP  0.93  #QF  0.88
  5 GLN  QG      5 GLN  HE21    4.03            #peak    73 #SUP  0.93  #QF  0.93
  5 GLN  QG      5 GLN  HE22    4.03            #peak    74 #SUP  0.97  #QF  0.97
  7 GLN  H       7 GLN  HG2     4.04            #peak    76 #SUP  0.98  #QF  0.98
  7 GLN  H       7 GLN  HG3     4.04            #peak    78 #SUP  0.93  #QF  0.93
  5 GLN  H       5 GLN  HB2     3.96            #peak    81 #SUP  0.92  #QF  0.87
  5 GLN  HB2     6 TRP  H       4.40            #peak    81 #SUP  0.92  #QF  0.87
  5 GLN  H       5 GLN  HB3     3.96            #peak    82 #SUP  0.83  #QF  0.65
  5 GLN  HB3     6 TRP  H       4.40            #peak    82 #SUP  0.83  #QF  0.65
  7 GLN  H       7 GLN  HB2     3.91            #peak    83 #SUP  0.99  #QF  0.99
  7 GLN  HB2     8 SER  H       4.32            #peak    84 #SUP  0.98  #QF  0.98
  7 GLN  H       7 GLN  HB3     3.91            #peak    85 #SUP  0.96  #QF  0.96
  7 GLN  HB3     8 SER  H       4.32            #peak    86 #SUP  0.98  #QF  0.98
  9 LYS  H       9 LYS  QB      3.23            #peak    87 #SUP  0.95  #QF  0.95
  6 TRP  HD1     9 LYS  QB      4.55            #peak    88 #SUP  0.93  #QF  0.93
 12 ARG  HB2    12 ARG  HE      4.53            #peak    89 #SUP  0.87  #QF  0.87
  9 LYS  QB     10 ILE  H       3.76            #peak    90 #SUP  0.77  #QF  0.77
 19 ILE  H      19 ILE  HB      3.98            #peak    92 #SUP  0.94  #QF  0.94
 12 ARG  H      12 ARG  HB2     3.87            #peak    93 #SUP  0.97  #QF  0.38
 16 ILE  H      16 ILE  HB      3.91            #peak    93 #SUP  0.97  #QF  0.38
 16 ILE  HB     17 PHE  H       3.64            #peak    94 #SUP  0.98  #QF  0.98
  4 ARG  QB      5 GLN  H       3.81            #peak    95 #SUP  0.65  #QF  0.65
  4 ARG  H       4 ARG  QB      3.25            #peak    96 #SUP  0.89  #QF  0.89
  4 ARG  QB      4 ARG  HE      4.09            #peak    97 #SUP  0.95  #QF  0.95
 12 ARG  H      12 ARG  HB3     3.87            #peak    98 #SUP  0.88  #QF  0.88
 12 ARG  HB3    12 ARG  HE      4.53            #peak    99 #SUP  0.95  #QF  0.95
  2 LYS  H       2 LYS  QB      3.77            #peak   100 #SUP  0.96  #QF  0.96
 10 ILE  H      10 ILE  HB      3.51            #peak   101 #SUP  0.99  #QF  0.99
 10 ILE  HB     11 ARG  H       3.57            #peak   102 #SUP  0.92  #QF  0.73
 11 ARG  H      11 ARG  QB      3.82            #peak   102 #SUP  0.92  #QF  0.73
 11 ARG  QB     11 ARG  HE      3.84            #peak   103 #SUP  0.96  #QF  0.96
  4 ARG  H       4 ARG  HG2     4.64            #peak   104 #SUP  0.98  #QF  0.98
 21 ARG  QB     21 ARG  HE      5.10            #peak   105 #SUP  0.93  #QF  0.74
 19 ILE  H      19 ILE  HG13    3.99            #peak   106 #SUP  0.98  #QF  0.98
  2 LYS  H       2 LYS  HG2     4.50            #peak   112 #SUP  0.98  #QF  0.98
 11 ARG  H      11 ARG  QG      4.10            #peak   113 #SUP  0.94  #QF  0.94
 11 ARG  QG     11 ARG  HE      4.17            #peak   114 #SUP  0.99  #QF  0.99
 16 ILE  H      16 ILE  QD1     3.76            #peak   115 #SUP  0.97  #QF  0.97
 22 ALA  H      22 ALA  QB      3.46            #peak   116 #SUP  0.55  #QF  0.55
  2 LYS  H       2 LYS  HG3     4.50            #peak   117 #SUP  0.96  #QF  0.96
 10 ILE  H      10 ILE  HG12    3.83            #peak   118 #SUP  0.99  #QF  0.99
  9 LYS  H       9 LYS  QG      4.29            #peak   119 #SUP  0.99  #QF  0.99
 13 THR  HB     14 ASN  H       3.96            #peak   120 #SUP  0.98  #QF  0.98
 16 ILE  H      16 ILE  HG12    3.70            #peak   121 #SUP  0.98  #QF  0.98
 13 THR  H      13 THR  HB      3.64            #peak   122 #SUP  0.89  #QF  0.89
 19 ILE  H      19 ILE  HG12    3.99            #peak   123 #SUP  0.98  #QF  0.98
 10 ILE  H      10 ILE  HG13    3.97            #peak   124 #SUP  0.99  #QF  0.99
 19 ILE  H      19 ILE  QG2     3.79            #peak   125 #SUP  0.97  #QF  0.97
 16 ILE  H      16 ILE  HG13    4.06            #peak   126 #SUP  0.99  #QF  0.99
 19 ILE  H      19 ILE  QD1     4.17            #peak   127 #SUP  0.98  #QF  0.98
 10 ILE  H      10 ILE  QG2     3.90            #peak   128 #SUP  0.97  #QF  0.97
 10 ILE  QG2    11 ARG  H       3.98            #peak   129 #SUP  0.96  #QF  0.96
 16 ILE  H      16 ILE  QG2     3.89            #peak   130 #SUP  0.98  #QF  0.98
 16 ILE  QG2    17 PHE  H       3.89            #peak   131 #SUP  0.98  #QF  0.98
 10 ILE  H      10 ILE  QD1     4.05            #peak   133 #SUP  0.99  #QF  0.99
  6 TRP  HE3    10 ILE  QD1     4.12            #peak   134 #SUP  0.89  #QF  0.89
  6 TRP  HZ2    10 ILE  QD1     4.24            #peak   136 #SUP  0.92  #QF  0.92
  6 TRP  HD1    10 ILE  QD1     3.97            #peak   137 #SUP  0.98  #QF  0.98
  6 TRP  HZ3    10 ILE  QD1     4.40            #peak   138 #SUP  0.98  #QF  0.98
  6 TRP  H       7 GLN  H       3.88            #peak   139 #SUP  0.87  #QF  0.87
  7 GLN  H       8 SER  H       3.81            #peak   140 #SUP  0.94  #QF  0.94
  2 LYS  H       3 CYSS H       3.75            #peak   141 #SUP  0.54  #QF  0.54
 10 ILE  H      11 ARG  H       4.30            #peak   144 #SUP  0.97  #QF  0.97
  4 ARG  H       5 GLN  H       4.05            #peak   145 #SUP  0.85  #QF  0.81
 18 CYSS H      19 ILE  H       3.73            #peak   147 #SUP  0.87  #QF  0.87
  9 LYS  H      10 ILE  H       3.81            #peak   148 #SUP  0.89  #QF  0.89
  6 TRP  H       6 TRP  HD1     5.14            #peak   149 #SUP  0.96  #QF  0.96
  8 SER  H       9 LYS  H       3.82            #peak   150 #SUP  0.78  #QF  0.78
 11 ARG  H      12 ARG  H       4.19            #peak   151 #SUP  0.69  #QF  0.69
 13 THR  H      14 ASN  H       3.82            #peak   152 #SUP  0.92  #QF  0.92
 17 PHE  H      18 CYSS H       3.65            #peak   153 #SUP  0.81  #QF  0.81
 16 ILE  H      17 PHE  H       3.90            #peak   154 #SUP  0.95  #QF  0.95
 14 ASN  HB2    15 PRO  HA      5.24            #peak   171 #SUP  0.86  #QF  0.86
 12 ARG  HA     12 ARG  QD      3.93            #peak   177 #SUP  0.99  #QF  0.99
  8 SER  HA     11 ARG  QD      4.00            #peak   178 #SUP  0.89  #QF  0.89
  4 ARG  HA      4 ARG  QD      3.58            #peak   179 #SUP  0.99  #QF  0.99
 11 ARG  HA     14 ASN  HB2     3.73            #peak   182 #SUP  0.61  #QF  0.24
  9 LYS  HA     12 ARG  QD      4.88            #peak   183 #SUP  0.82  #QF  0.82
  2 LYS  HA      5 GLN  HB3     4.48            #peak   187 #SUP  0.83  #QF  0.83
  2 LYS  HA      5 GLN  QG      4.57            #peak   188 #SUP  0.97  #QF  0.97
  4 ARG  HA      7 GLN  HG3     4.40            #peak   190 #SUP  0.96  #QF  0.96
  4 ARG  HA      7 GLN  HG2     4.40            #peak   193 #SUP  0.43  #QF  0.43
  5 GLN  HA      5 GLN  QG      3.35            #peak   195 #SUP  0.80  #QF  0.80
  7 GLN  HA      7 GLN  HG3     3.96            #peak   199 #SUP  0.80  #QF  0.80
  7 GLN  HA      7 GLN  HG2     3.96            #peak   201 #SUP  0.78  #QF  0.78
  6 TRP  HA      9 LYS  QB      3.81            #peak   203 #SUP  0.91  #QF  0.91
 16 ILE  HB     17 PHE  HA      4.58            #peak   212 #SUP  0.64  #QF  0.64
  2 LYS  HA      2 LYS  QD      4.12            #peak   216 #SUP  0.91  #QF  0.91
  8 SER  HA     11 ARG  QB      3.45            #peak   222 #SUP  0.71  #QF  0.71
  4 ARG  HA      4 ARG  HG2     3.86            #peak   225 #SUP  0.86  #QF  0.86
  4 ARG  HA      4 ARG  HG3     3.86            #peak   228 #SUP  0.97  #QF  0.97
 10 ILE  QG2    11 ARG  HA      4.02            #peak   229 #SUP  0.87  #QF  0.87
 11 ARG  HA     11 ARG  QG      3.56            #peak   232 #SUP  0.84  #QF  0.84
  9 LYS  HA      9 LYS  QG      3.99            #peak   237 #SUP  0.96  #QF  0.96
 19 ILE  HA     19 ILE  QG2     3.25            #peak   240 #SUP  0.89  #QF  0.89
  7 GLN  HA     10 ILE  HB      3.68            #peak   242 #SUP  0.88  #QF  0.88
  7 GLN  HA     10 ILE  HG12    4.86            #peak   244 #SUP  0.99  #QF  0.99
 16 ILE  HA     16 ILE  QD1     3.90            #peak   245 #SUP  0.98  #QF  0.98
 16 ILE  HA     16 ILE  HG12    3.82            #peak   247 #SUP  0.95  #QF  0.95
 16 ILE  HA     16 ILE  HG13    3.85            #peak   248 #SUP  0.96  #QF  0.96
 16 ILE  HA     16 ILE  QG2     3.04            #peak   249 #SUP  0.88  #QF  0.88
 10 ILE  HA     10 ILE  HG12    3.97            #peak   252 #SUP  0.98  #QF  0.98
 10 ILE  HA     13 THR  HB      4.07            #peak   254 #SUP  0.71  #QF  0.71
 10 ILE  HA     10 ILE  HG13    3.97            #peak   256 #SUP  0.99  #QF  0.99
 10 ILE  HA     10 ILE  QG2     3.17            #peak   258 #SUP  0.96  #QF  0.96
  7 GLN  HA     10 ILE  QD1     3.69            #peak   259 #SUP  0.99  #QF  0.99
 10 ILE  HA     10 ILE  QD1     3.98            #peak   260 #SUP  0.99  #QF  0.99
 16 ILE  QG2    17 PHE  HB2     4.18            #peak   261 #SUP  0.99  #QF  0.99
 10 ILE  QG2    14 ASN  HB3     5.28            #peak   262 #SUP  0.95  #QF  0.95
  6 TRP  QB     10 ILE  QD1     4.46            #peak   263 #SUP  0.98  #QF  0.98
  9 LYS  QB      9 LYS  QE      4.61            #peak   264 #SUP  0.88  #QF  0.76
 16 ILE  QG2    16 ILE  HG12    3.64            #peak   272 #SUP  0.95  #QF  0.29
 10 ILE  QG2    10 ILE  QD1     3.23            #peak   273 #SUP  0.96  #QF  0.96
  6 TRP  QB      6 TRP  HE1     4.59            #peak   378 #SUP  0.97  #QF  0.97
 16 ILE  QG2    18 CYSS H       5.36            #peak   380 #SUP  0.96  #QF  0.96
 14 ASN  HB3    17 PHE  H       5.50            #peak   381 #SUP  0.64  #QF  0.64
 11 ARG  QD     12 ARG  H       5.50            #peak   382 #SUP  0.80  #QF  0.34
 12 ARG  H      14 ASN  HB2     5.50            #peak   382 #SUP  0.80  #QF  0.34
 14 ASN  HB2    16 ILE  H       5.50            #peak   382 #SUP  0.80  #QF  0.34
 14 ASN  HB3    16 ILE  H       5.39            #peak   383 #SUP  0.97  #QF  0.97
  1 SER  HA      1 SER  QB      2.95            #peak   384 #SUP  0.50  #QF  0.50
  7 GLN  HG3     8 SER  H       4.94            #peak   390 #SUP  0.97  #QF  0.97
  6 TRP  HZ3     7 GLN  HA      5.50            #peak   391 #SUP  0.98  #QF  0.98
  6 TRP  HZ2    10 ILE  QG2     5.03            #peak   395 #SUP  0.90  #QF  0.90
  6 TRP  HD1    10 ILE  HG12    5.02            #peak   401 #SUP  0.99  #QF  0.99
  6 TRP  HD1    10 ILE  QG2     5.50            #peak   403 #SUP  0.97  #QF  0.97
  6 TRP  HH2    10 ILE  QD1     4.66            #peak   404 #SUP  0.99  #QF  0.99
 16 ILE  HG13   17 PHE  H       5.50            #peak   407 #SUP  0.96  #QF  0.96
 18 CYSS H      19 ILE  QD1     5.50            #peak   408 #SUP  0.91  #QF  0.91
 16 ILE  H      17 PHE  HB3     5.00            #peak   409 #SUP  0.89  #QF  0.89
  6 TRP  HD1     7 GLN  H       5.14            #peak   413 #SUP  0.92  #QF  0.92
  9 LYS  HA     12 ARG  HE      4.55            #peak   417 #SUP  0.33  #QF  0.33
  8 SER  HA     11 ARG  HE      5.37            #peak   419 #SUP  0.98  #QF  0.98
 10 ILE  HA     13 THR  H       4.59            #peak   423 #SUP  0.94  #QF  0.94
  3 CYSS H       6 TRP  QB      4.73            #peak   424 #SUP  0.86  #QF  0.86
 16 ILE  QD1    17 PHE  H       4.75            #peak   425 #SUP  0.98  #QF  0.98
 10 ILE  QG2    13 THR  H       4.64            #peak   430 #SUP  0.55  #QF  0.55
 10 ILE  HA     14 ASN  H       4.98            #peak   431 #SUP  0.98  #QF  0.98
  9 LYS  H      10 ILE  HA      5.50            #peak   432 #SUP  0.95  #QF  0.95
  6 TRP  QB      9 LYS  H       4.96            #peak   433 #SUP  0.97  #QF  0.97
 14 ASN  H      17 PHE  HB3     5.27            #peak   434 #SUP  0.98  #QF  0.98
 13 THR  H      14 ASN  HA      5.04            #peak   437 #SUP  0.93  #QF  0.93
  4 ARG  H       4 ARG  HG3     4.64            #peak   440 #SUP  0.80  #QF  0.80
 14 ASN  HA     14 ASN  HD21    4.55            #peak   442 #SUP  1.00
 12 ARG  HB2    12 ARG  QD      3.76            #peak   446 #SUP  0.91  #QF  0.91
 16 ILE  HB     17 PHE  HB2     4.30            #peak   447 #SUP  0.87  #QF  0.87
  4 ARG  QB      4 ARG  QD      3.33            #peak   448 #SUP  0.95  #QF  0.95
 12 ARG  HB3    12 ARG  QD      3.76            #peak   449 #SUP  0.95  #QF  0.95
 11 ARG  QB     11 ARG  QD      3.16            #peak   450 #SUP  0.91  #QF  0.91
 10 ILE  QG2    10 ILE  HG13    3.93            #peak   490 #SUP  0.91  #QF  0.91
 19 ILE  HB     19 ILE  QD1     3.98            #peak   494 #SUP  0.98  #QF  0.87
 16 ILE  HB     16 ILE  QD1     4.07            #peak   499 #SUP  0.98  #QF  0.98
 10 ILE  HB     10 ILE  QD1     3.65            #peak   501 #SUP  0.99  #QF  0.99
 19 ILE  QG2    19 ILE  HG13    3.98            #peak   504 #SUP  0.93  #QF  0.93
 16 ILE  QG2    16 ILE  QD1     3.90            #peak   506 #SUP  0.97  #QF  0.97
 10 ILE  QG2    10 ILE  HG12    3.86            #peak   507 #SUP  0.99  #QF  0.99
 19 ILE  QG2    19 ILE  HG12    3.98            #peak   511 #SUP  0.94  #QF  0.94
 15 PRO  HB2    16 ILE  HA      4.18            #peak   515 #SUP  0.89  #QF  0.89
  6 TRP  HE1    10 ILE  QG2     4.86            #peak   517 #SUP  0.92  #QF  0.92
  6 TRP  HE1    10 ILE  QD1     4.14            #peak   518 #SUP  0.96  #QF  0.96
 12 ARG  HB3    13 THR  H       4.90            #peak   519 #SUP  0.77  #QF  0.77
 13 THR  H      14 ASN  HB2     5.02            #peak   523 #SUP  0.92  #QF  0.92
 15 PRO  HA     16 ILE  HA      4.90            #peak   524 #SUP  0.91  #QF  0.91
 15 PRO  HA     18 CYSS HB2     3.96            #peak   528 #SUP  0.99  #QF  0.99
 15 PRO  HA     18 CYSS HB3     3.65            #peak   529 #SUP  0.96  #QF  0.96
  2 LYS  HA      5 GLN  HB2     4.48            #peak   540 #SUP  0.92  #QF  0.92
 11 ARG  H      11 ARG  QD      4.49            #peak   541 #SUP  0.97  #QF  0.97
 14 ASN  HB2    14 ASN  HD22    3.91            #peak   552 #SUP  0.98  #QF  0.98
 14 ASN  HA     14 ASN  HD22    4.30            #peak   553 #SUP  0.99  #QF  0.99
 12 ARG  HB2    13 THR  H       4.90            #peak   554 #SUP  0.85  #QF  0.30
 18 CYSS H      19 ILE  QG2     5.12            #peak   558 #SUP  0.87  #QF  0.87
 15 PRO  HB2    18 CYSS HB2     4.75            #peak   560 #SUP  0.98  #QF  0.98
 13 THR  HA     16 ILE  HG13    4.24            #peak   563 #SUP  0.66  #QF  0.47
 15 PRO  HA     19 ILE  QD1     4.78            #peak   563 #SUP  0.66  #QF  0.47
 15 PRO  HA     19 ILE  QG2     5.14            #peak   565 #SUP  0.89  #QF  0.89
  7 GLN  HA     10 ILE  HG13    4.62            #peak   566 #SUP  0.98  #QF  0.98
  3 CYSS HA      6 TRP  QB      3.59            #peak   574 #SUP  0.98  #QF  0.98
  1 SER  HA      2 LYS  QE      4.49            #peak   575 #SUP  0.89  #QF  0.34
  2 LYS  HA      2 LYS  QE      4.72            #peak   575 #SUP  0.89  #QF  0.34
 10 ILE  QG2    14 ASN  HB2     4.61            #peak   576 #SUP  0.74  #QF  0.74
 12 ARG  H      12 ARG  QD      4.76            #peak   580 #SUP  1.00
 15 PRO  QG     16 ILE  H       4.02            #peak   581 #SUP  0.95  #QF  0.95
 10 ILE  HA     12 ARG  H       5.12            #peak   582 #SUP  0.87  #QF  0.87
 19 ILE  QG2    21 ARG  H       4.57            #peak   583 #SUP  0.95  #QF  0.95
 19 ILE  HB     21 ARG  H       3.51            #peak   585 #SUP  0.76  #QF  0.76
 19 ILE  HA     21 ARG  H       4.25            #peak   586 #SUP  0.84  #QF  0.84
 15 PRO  HA     19 ILE  H       5.05            #peak   593 #SUP  0.97  #QF  0.97
 16 ILE  QG2    17 PHE  HA      4.22            #peak   594 #SUP  0.97  #QF  0.97
 15 PRO  HB2    16 ILE  HG12    5.05            #peak   596 #SUP  0.99  #QF  0.99
 16 ILE  HB     17 PHE  HB3     4.83            #peak   598 #SUP  0.78  #QF  0.78
  8 SER  H      10 ILE  HB      5.50            #peak   600 #SUP  0.81  #QF  0.59
  8 SER  H      11 ARG  QB      5.50            #peak   600 #SUP  0.81  #QF  0.59
 19 ILE  QD1    21 ARG  H       4.95            #peak   601 #SUP  0.87  #QF  0.87
  6 TRP  QB      6 TRP  HZ3     4.86            #peak   604 #SUP  0.97  #QF  0.97
 11 ARG  HA     14 ASN  H       4.74            #peak   608 #SUP  0.93  #QF  0.93
 21 ARG  QG     21 ARG  HE      3.98            #peak   610 #SUP  0.89  #QF  0.89
 16 ILE  HG12   17 PHE  H       5.22            #peak   611 #SUP  0.93  #QF  0.93
 13 THR  HA     14 ASN  HA      5.38            #peak   613 #SUP  0.99  #QF  0.93
 14 ASN  HB3    15 PRO  QG      4.90            #peak   615 #SUP  0.96  #QF  0.96
 14 ASN  HB2    15 PRO  QG      5.09            #peak   616 #SUP  0.92  #QF  0.92
 14 ASN  HB3    15 PRO  HA      4.93            #peak   621 #SUP  0.93  #QF  0.93
  2 LYS  H       2 LYS  QE      3.83            #peak     3 #SUP  0.71  #QF  0.71
  5 GLN  HA      7 GLN  H       4.85            #peak     4 #SUP  0.35  #QF  0.35
  3 CYSS HA      7 GLN  H       4.30            #peak     5 #SUP  0.82  #QF  0.82
  6 TRP  HE3     7 GLN  H       3.82            #peak     7 #SUP  0.95  #QF  0.95
  6 TRP  H       6 TRP  HE3     4.73            #peak    10 #SUP  0.97  #QF  0.97
 18 CYSS HB2    19 ILE  H       3.64            #peak    12 #SUP  0.95  #QF  0.95
  3 CYSS H       5 GLN  H       4.12            #peak    13 #SUP  0.77  #QF  0.77
 14 ASN  H      14 ASN  HD22    4.68            #peak    15 #SUP  0.99  #QF  0.99
 12 ARG  H      12 ARG  HE      4.52            #peak    16 #SUP  0.98  #QF  0.98
 14 ASN  H      14 ASN  HD21    4.05            #peak    19 #SUP  0.95  #QF  0.95
  3 CYSS HA      6 TRP  HZ3     5.01            #peak    21 #SUP  0.96  #QF  0.96
  4 ARG  QD      5 GLN  H       4.74            #peak    24 #SUP  0.93  #QF  0.93
  7 GLN  H      10 ILE  QD1     3.90            #peak    25 #SUP  0.98  #QF  0.98
 10 ILE  HG13   11 ARG  H       4.33            #peak    27 #SUP  0.91  #QF  0.91
 10 ILE  QD1    11 ARG  H       4.00            #peak    28 #SUP  0.97  #QF  0.97
 14 ASN  H      15 PRO  QG      4.12            #peak    31 #SUP  0.69  #QF  0.69
 10 ILE  QG2    14 ASN  H       4.02            #peak    34 #SUP  0.89  #QF  0.89
  9 LYS  H      10 ILE  QD1     4.67            #peak    35 #SUP  0.96  #QF  0.96
  6 TRP  HA      8 SER  H       4.58            #peak    42 #SUP  0.96  #QF  0.96
  7 GLN  HA     11 ARG  H       4.66            #peak    45 #SUP  0.74  #QF  0.74
  6 TRP  HA     10 ILE  H       4.37            #peak    46 #SUP  0.92  #QF  0.92
  6 TRP  HD1    10 ILE  HG13    4.08            #peak    51 #SUP  0.86  #QF  0.86
  7 GLN  HG2     8 SER  H       4.94            #peak    52 #SUP  0.91  #QF  0.91
  8 SER  H       9 LYS  QB      4.48            #peak    54 #SUP  0.73  #QF  0.73
 11 ARG  HA     11 ARG  HE      4.44            #peak    58 #SUP  0.97  #QF  0.97
  4 ARG  HA      4 ARG  HE      4.11            #peak    59 #SUP  0.98  #QF  0.98
 10 ILE  QG2    14 ASN  HD21    3.67            #peak    65 #SUP  0.79  #QF  0.79
 14 ASN  HD21   17 PHE  HB3     5.31            #peak    66 #SUP  0.84  #QF  0.84
 14 ASN  HB2    14 ASN  HD21    3.48            #peak    67 #SUP  0.96  #QF  0.96
 14 ASN  HA     17 PHE  HB3     4.03            #peak    68 #SUP  0.80  #QF  0.80
 14 ASN  HA     17 PHE  HB2     4.91            #peak    69 #SUP  0.90  #QF  0.90
  6 TRP  HA     10 ILE  QD1     3.88            #peak    72 #SUP  0.99  #QF  0.99
  6 TRP  QB      9 LYS  QB      4.25            #peak    73 #SUP  0.88  #QF  0.88
 10 ILE  QG2    14 ASN  HA      4.51            #peak    76 #SUP  0.92  #QF  0.92
 13 THR  HB     14 ASN  HA      4.27            #peak    77 #SUP  0.90  #QF  0.90
 13 THR  HB     14 ASN  HD21    4.18            #peak    78 #SUP  0.75  #QF  0.75
 15 PRO  QG     16 ILE  HG13    4.24            #peak    84 #SUP  0.79  #QF  0.79
 15 PRO  HB2    16 ILE  HG13    4.61            #peak    86 #SUP  0.75  #QF  0.42
 15 PRO  HB2    19 ILE  QD1     4.77            #peak    86 #SUP  0.75  #QF  0.42
 18 CYSS HA     19 ILE  QG2     4.18            #peak    89 #SUP  0.98  #QF  0.98
 18 CYSS HB2    19 ILE  QG2     3.94            #peak    90 #SUP  0.95  #QF  0.95
 18 CYSS HB3    19 ILE  QG2     3.54            #peak    91 #SUP  0.87  #QF  0.87
  2 LYS  H       2 LYS  QG      3.92            #peak   112
  2 LYS  HA      2 LYS  QG      3.68            #peak   217
  2 LYS  HA      5 GLN  QB      3.86            #peak   187
  3 CYSS H       3 CYSS QB      3.16            #peak    66
  3 CYSS H       5 GLN  QB      4.90            #peak    29
  3 CYSS HA      7 GLN  QG      5.04            #peak   186
  3 CYSS QB      4 ARG  H       3.81            #peak    67
  3 CYSS QB      5 GLN  H       4.69            #peak   388
  3 CYSS QB      6 TRP  HE3     4.19            #peak    91
  4 ARG  HA      4 ARG  QG      3.22            #peak   225
  4 ARG  HA      7 GLN  QB      3.78            #peak   192
  4 ARG  HA      7 GLN  QG      3.86            #peak   190
  5 GLN  HA      5 GLN  QE2     4.83            #peak   422
  5 GLN  QB      6 TRP  QB      4.34            #peak    75
  6 TRP  HA      9 LYS  QD      4.33            #peak   205
  6 TRP  QB      7 GLN  QB      5.34            #peak   469
  6 TRP  QB      7 GLN  QG      3.64            #peak    74
  6 TRP  HD1     9 LYS  QD      5.34            #peak   606
  6 TRP  HE3     7 GLN  QG      3.59            #peak    39
  7 GLN  H       7 GLN  QB      3.42            #peak    83
  7 GLN  H       7 GLN  QG      3.51            #peak    76
  7 GLN  H       7 GLN  QE2     5.34            #peak   411
  7 GLN  H       8 SER  QB      5.34            #peak   428
  7 GLN  HA      7 GLN  QG      3.43            #peak   201
  7 GLN  HA      7 GLN  QE2     4.67            #peak    61
  7 GLN  QB      8 SER  H       3.74            #peak    84
  7 GLN  QB      8 SER  HA      5.34            #peak   547
  7 GLN  QB     10 ILE  QD1     4.56            #peak    82
  7 GLN  QG      7 GLN  QE2     3.04            #peak    63
  7 GLN  QG      8 SER  H       4.27            #peak    52
  7 GLN  QG     10 ILE  QD1     4.00            #peak    81
  8 SER  QB      9 LYS  H       3.76            #peak    36
  9 LYS  H       9 LYS  QD      4.26            #peak   110
  9 LYS  HA      9 LYS  QD      3.92            #peak   236
  9 LYS  QB      9 LYS  QD      3.40            #peak   475
 11 ARG  HA     15 PRO  QD      4.15            #peak   614
 12 ARG  H      12 ARG  QB      3.34            #peak    93
 12 ARG  H      12 ARG  QG      4.31            #peak   108
 12 ARG  HA     12 ARG  QG      3.40            #peak   221
 12 ARG  QB     12 ARG  QD      3.20            #peak   449
 12 ARG  QB     12 ARG  HE      3.74            #peak    99
 12 ARG  QB     13 THR  H       4.16            #peak   554
 12 ARG  QG     13 THR  H       4.84            #peak   521
 18 CYSS HA     19 ILE  QG1     5.21            #peak    92
 18 CYSS HB2    19 ILE  QG1     4.19            #peak    93
 18 CYSS HB3    19 ILE  QG1     4.09            #peak    94
 19 ILE  H      19 ILE  QG1     3.43            #peak   106
# Restraints file 2: final.aco
   1 SER   PHI    -175.0    75.0 5.00E-01 type=2
   1 SER   PSI     -75.0   185.0 5.00E-01 type=2
   1 SER   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   1 SER   PSI      25.0    55.0 5.00E-01 type=2
   1 SER   PHI    -135.0    75.0 5.00E-01 type=2 OR
   1 SER   PSI     105.0   185.0 5.00E-01 type=2
   2 LYS   PHI    -175.0    75.0 5.00E-01 type=2
   2 LYS   PSI     -75.0   185.0 5.00E-01 type=2
   2 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   2 LYS   PSI      25.0    55.0 5.00E-01 type=2
   2 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
   2 LYS   PSI     105.0   185.0 5.00E-01 type=2
   3 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
   3 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
   3 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
   3 CYSS  PSI      25.0    55.0 5.00E-01 type=2
   3 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
   3 CYSS  PSI     105.0   185.0 5.00E-01 type=2
   4 ARG   PHI    -175.0    75.0 5.00E-01 type=2
   4 ARG   PSI     -75.0   185.0 5.00E-01 type=2
   4 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   4 ARG   PSI      25.0    55.0 5.00E-01 type=2
   4 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
   4 ARG   PSI     105.0   185.0 5.00E-01 type=2
   5 GLN   PHI    -175.0    75.0 5.00E-01 type=2
   5 GLN   PSI     -75.0   185.0 5.00E-01 type=2
   5 GLN   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   5 GLN   PSI      25.0    55.0 5.00E-01 type=2
   5 GLN   PHI    -135.0    75.0 5.00E-01 type=2 OR
   5 GLN   PSI     105.0   185.0 5.00E-01 type=2
   6 TRP   PHI    -175.0    75.0 5.00E-01 type=2
   6 TRP   PSI     -75.0   185.0 5.00E-01 type=2
   6 TRP   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   6 TRP   PSI      25.0    55.0 5.00E-01 type=2
   6 TRP   PHI    -135.0    75.0 5.00E-01 type=2 OR
   6 TRP   PSI     105.0   185.0 5.00E-01 type=2
   7 GLN   PHI    -175.0    75.0 5.00E-01 type=2
   7 GLN   PSI     -75.0   185.0 5.00E-01 type=2
   7 GLN   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   7 GLN   PSI      25.0    55.0 5.00E-01 type=2
   7 GLN   PHI    -135.0    75.0 5.00E-01 type=2 OR
   7 GLN   PSI     105.0   185.0 5.00E-01 type=2
   8 SER   PHI    -175.0    75.0 5.00E-01 type=2
   8 SER   PSI     -75.0   185.0 5.00E-01 type=2
   8 SER   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   8 SER   PSI      25.0    55.0 5.00E-01 type=2
   8 SER   PHI    -135.0    75.0 5.00E-01 type=2 OR
   8 SER   PSI     105.0   185.0 5.00E-01 type=2
   9 LYS   PHI    -175.0    75.0 5.00E-01 type=2
   9 LYS   PSI     -75.0   185.0 5.00E-01 type=2
   9 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   9 LYS   PSI      25.0    55.0 5.00E-01 type=2
   9 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
   9 LYS   PSI     105.0   185.0 5.00E-01 type=2
  10 ILE   PHI    -175.0    75.0 5.00E-01 type=2
  10 ILE   PSI     -75.0   185.0 5.00E-01 type=2
  10 ILE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  10 ILE   PSI      25.0    55.0 5.00E-01 type=2
  10 ILE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  10 ILE   PSI     105.0   185.0 5.00E-01 type=2
  11 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  11 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  11 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  11 ARG   PSI      25.0    55.0 5.00E-01 type=2
  11 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  11 ARG   PSI     105.0   185.0 5.00E-01 type=2
  12 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  12 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  12 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  12 ARG   PSI      25.0    55.0 5.00E-01 type=2
  12 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  12 ARG   PSI     105.0   185.0 5.00E-01 type=2
  13 THR   PHI    -175.0    75.0 5.00E-01 type=2
  13 THR   PSI     -75.0   185.0 5.00E-01 type=2
  13 THR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  13 THR   PSI      25.0    55.0 5.00E-01 type=2
  13 THR   PHI    -135.0    75.0 5.00E-01 type=2 OR
  13 THR   PSI     105.0   185.0 5.00E-01 type=2
  16 ILE   PHI    -175.0    75.0 5.00E-01 type=2
  16 ILE   PSI     -75.0   185.0 5.00E-01 type=2
  16 ILE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  16 ILE   PSI      25.0    55.0 5.00E-01 type=2
  16 ILE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  16 ILE   PSI     105.0   185.0 5.00E-01 type=2
  17 PHE   PHI    -175.0    75.0 5.00E-01 type=2
  17 PHE   PSI     -75.0   185.0 5.00E-01 type=2
  17 PHE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  17 PHE   PSI      25.0    55.0 5.00E-01 type=2
  17 PHE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  17 PHE   PSI     105.0   185.0 5.00E-01 type=2
  18 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  18 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  18 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  18 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  18 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  18 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  19 ILE   PHI    -175.0    75.0 5.00E-01 type=2
  19 ILE   PSI     -75.0   185.0 5.00E-01 type=2
  19 ILE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  19 ILE   PSI      25.0    55.0 5.00E-01 type=2
  19 ILE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  19 ILE   PSI     105.0   185.0 5.00E-01 type=2
  20 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  20 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  20 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  20 ARG   PSI      25.0    55.0 5.00E-01 type=2
  20 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  20 ARG   PSI     105.0   185.0 5.00E-01 type=2
  21 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  21 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  21 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  21 ARG   PSI      25.0    55.0 5.00E-01 type=2
  21 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  21 ARG   PSI     105.0   185.0 5.00E-01 type=2
  22 ALA   PHI    -175.0    75.0 5.00E-01 type=2
  22 ALA   PSI     -75.0   185.0 5.00E-01 type=2
  22 ALA   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  22 ALA   PSI      25.0    55.0 5.00E-01 type=2
  22 ALA   PHI    -135.0    75.0 5.00E-01 type=2 OR
  22 ALA   PSI     105.0   185.0 5.00E-01 type=2
  25 THR   PHI    -175.0    75.0 5.00E-01 type=2
  25 THR   PSI     -75.0   185.0 5.00E-01 type=2
  25 THR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  25 THR   PSI      25.0    55.0 5.00E-01 type=2
  25 THR   PHI    -135.0    75.0 5.00E-01 type=2 OR
  25 THR   PSI     105.0   185.0 5.00E-01 type=2
   1 SER   CHI1    -90.0   210.0 2.00E-01 type=2
   1 SER   CHI1   -330.0   -30.0 2.00E-01 type=2
   1 SER   CHI1   -210.0    90.0 2.00E-01 type=2
   2 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
   2 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
   2 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
   2 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
   2 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
   2 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
   2 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
   2 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
   2 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
   2 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
   2 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
   2 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
   3 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
   3 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
   3 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   4 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   4 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   4 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   5 GLN   CHI1    -90.0   210.0 2.00E-01 type=2
   5 GLN   CHI1   -330.0   -30.0 2.00E-01 type=2
   5 GLN   CHI1   -210.0    90.0 2.00E-01 type=2
   5 GLN   CHI2    -90.0   210.0 2.00E-01 type=2
   5 GLN   CHI2   -330.0   -30.0 2.00E-01 type=2
   5 GLN   CHI2   -210.0    90.0 2.00E-01 type=2
   6 TRP   CHI1    -90.0   210.0 2.00E-01 type=2
   6 TRP   CHI1   -330.0   -30.0 2.00E-01 type=2
   6 TRP   CHI1   -210.0    90.0 2.00E-01 type=2
   7 GLN   CHI1    -90.0   210.0 2.00E-01 type=2
   7 GLN   CHI1   -330.0   -30.0 2.00E-01 type=2
   7 GLN   CHI1   -210.0    90.0 2.00E-01 type=2
   7 GLN   CHI2    -90.0   210.0 2.00E-01 type=2
   7 GLN   CHI2   -330.0   -30.0 2.00E-01 type=2
   7 GLN   CHI2   -210.0    90.0 2.00E-01 type=2
   8 SER   CHI1    -90.0   210.0 2.00E-01 type=2
   8 SER   CHI1   -330.0   -30.0 2.00E-01 type=2
   8 SER   CHI1   -210.0    90.0 2.00E-01 type=2
   9 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
   9 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
   9 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
   9 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
   9 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
   9 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
   9 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
   9 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
   9 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
   9 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
   9 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
   9 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  10 ILE   CHI1    -90.0   210.0 2.00E-01 type=2
  10 ILE   CHI1   -330.0   -30.0 2.00E-01 type=2
  10 ILE   CHI1   -210.0    90.0 2.00E-01 type=2
  10 ILE   CHI21   -90.0   210.0 2.00E-01 type=2
  10 ILE   CHI21  -330.0   -30.0 2.00E-01 type=2
  10 ILE   CHI21  -210.0    90.0 2.00E-01 type=2
  11 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  11 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  11 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  11 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  11 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  11 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  11 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  11 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  11 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  12 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  12 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  12 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  12 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  12 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  12 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  12 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  12 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  12 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  13 THR   CHI1    -90.0   210.0 2.00E-01 type=2
  13 THR   CHI1   -330.0   -30.0 2.00E-01 type=2
  13 THR   CHI1   -210.0    90.0 2.00E-01 type=2
  14 ASN   CHI1    -90.0   210.0 2.00E-01 type=2
  14 ASN   CHI1   -330.0   -30.0 2.00E-01 type=2
  14 ASN   CHI1   -210.0    90.0 2.00E-01 type=2
  16 ILE   CHI1    -90.0   210.0 2.00E-01 type=2
  16 ILE   CHI1   -330.0   -30.0 2.00E-01 type=2
  16 ILE   CHI1   -210.0    90.0 2.00E-01 type=2
  16 ILE   CHI21   -90.0   210.0 2.00E-01 type=2
  16 ILE   CHI21  -330.0   -30.0 2.00E-01 type=2
  16 ILE   CHI21  -210.0    90.0 2.00E-01 type=2
  17 PHE   CHI1    -90.0   210.0 2.00E-01 type=2
  17 PHE   CHI1   -330.0   -30.0 2.00E-01 type=2
  17 PHE   CHI1   -210.0    90.0 2.00E-01 type=2
  18 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  18 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  18 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  19 ILE   CHI1    -90.0   210.0 2.00E-01 type=2
  19 ILE   CHI1   -330.0   -30.0 2.00E-01 type=2
  19 ILE   CHI1   -210.0    90.0 2.00E-01 type=2
  19 ILE   CHI21   -90.0   210.0 2.00E-01 type=2
  19 ILE   CHI21  -330.0   -30.0 2.00E-01 type=2
  19 ILE   CHI21  -210.0    90.0 2.00E-01 type=2
  20 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  20 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  20 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  20 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  20 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  20 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  20 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  20 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  20 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  21 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  21 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  21 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  21 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  21 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  21 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  21 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  21 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  21 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  23 SER   CHI1    -90.0   210.0 2.00E-01 type=2
  23 SER   CHI1   -330.0   -30.0 2.00E-01 type=2
  23 SER   CHI1   -210.0    90.0 2.00E-01 type=2
  25 THR   CHI1    -90.0   210.0 2.00E-01 type=2
  25 THR   CHI1   -330.0   -30.0 2.00E-01 type=2
  25 THR   CHI1   -210.0    90.0 2.00E-01 type=2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           H1       SER   1   1.442   0.744   0.690
    2    H2   SER   1           H2       SER   1   1.341  -0.852   0.322
    3    H3   SER   1           H3       SER   1   0.130   0.166  -0.101
    4    HA   SER   1           HA       SER   1   1.534  -0.479  -1.987
    5    HB2  SER   1          2HB       SER   1   1.504   2.483  -1.301
    6    HB3  SER   1          3HB       SER   1   1.737   1.788  -2.914
    7    HG   SER   1           HG       SER   1  -0.335   1.196  -2.991
    8    H    LYS   2           H        LYS   2   3.522  -1.101  -2.486
    9    HA   LYS   2           HA       LYS   2   5.845  -0.674  -0.859
   10    HB2  LYS   2          2HB       LYS   2   5.439  -1.762  -3.675
   11    HB3  LYS   2          3HB       LYS   2   7.025  -1.695  -2.902
   12    HG2  LYS   2          2HG       LYS   2   6.379  -3.124  -1.114
   13    HG3  LYS   2          3HG       LYS   2   4.670  -3.052  -1.530
   14    HD2  LYS   2          2HD       LYS   2   6.784  -4.302  -3.336
   15    HD3  LYS   2          3HD       LYS   2   5.837  -5.193  -2.133
   16    HE2  LYS   2          2HE       LYS   2   3.728  -4.370  -3.261
   17    HE3  LYS   2          3HE       LYS   2   4.733  -3.678  -4.540
   18    HZ1  LYS   2          1HZ       LYS   2   4.567  -6.557  -3.824
   19    HZ2  LYS   2          2HZ       LYS   2   5.586  -5.955  -4.950
   20    HZ3  LYS   2          3HZ       LYS   2   3.972  -5.870  -5.176
   21    H    CYS   3           H        CYS   3   5.171   0.687  -4.099
   22    HA   CYS   3           HA       CYS   3   7.528   2.127  -4.407
   23    HB2  CYS   3          2HB       CYS   3   4.760   2.813  -5.492
   24    HB3  CYS   3          3HB       CYS   3   6.299   3.432  -6.116
   25    HG   CYS   3           HG       CYS   3   5.383   1.572  -7.728
   26    H    ARG   4           H        ARG   4   4.459   3.574  -3.236
   27    HA   ARG   4           HA       ARG   4   5.514   6.160  -2.631
   28    HB2  ARG   4          2HB       ARG   4   3.035   5.253  -2.737
   29    HB3  ARG   4          3HB       ARG   4   3.244   4.938  -1.022
   30    HG2  ARG   4          2HG       ARG   4   3.403   7.599  -2.492
   31    HG3  ARG   4          3HG       ARG   4   2.138   7.065  -1.402
   32    HD2  ARG   4          2HD       ARG   4   4.968   7.910  -0.697
   33    HD3  ARG   4          3HD       ARG   4   3.483   8.745  -0.304
   34    HE   ARG   4           HE       ARG   4   4.767   6.759   1.248
   35   HH11  ARG   4          1HH1      ARG   4   1.576   7.989   0.621
   36   HH12  ARG   4          2HH1      ARG   4   0.927   7.342   2.103
   37   HH21  ARG   4          1HH2      ARG   4   3.822   5.723   3.037
   38   HH22  ARG   4          2HH2      ARG   4   2.189   6.148   3.429
   39    H    GLN   5           H        GLN   5   5.064   3.345  -0.450
   40    HA   GLN   5           HA       GLN   5   6.132   4.665   1.828
   41    HB2  GLN   5          2HB       GLN   5   4.691   2.578   1.788
   42    HB3  GLN   5          3HB       GLN   5   6.121   1.668   1.298
   43    HG2  GLN   5          2HG       GLN   5   5.769   1.431   3.689
   44    HG3  GLN   5          3HG       GLN   5   7.254   2.333   3.420
   45   HE21  GLN   5          1HE2      GLN   5   6.682   2.802   5.858
   46   HE22  GLN   5          2HE2      GLN   5   5.694   4.241   6.096
   47    H    TRP   6           H        TRP   6   7.816   2.696  -0.636
   48    HA   TRP   6           HA       TRP   6  10.432   2.804   0.503
   49    HB2  TRP   6          2HB       TRP   6   9.886   1.324  -1.317
   50    HB3  TRP   6          3HB       TRP   6   9.448   2.667  -2.359
   51    HD1  TRP   6           HD1      TRP   6  12.661   1.641  -0.429
   52    HE1  TRP   6           HE1      TRP   6  14.688   1.969  -1.984
   53    HE3  TRP   6           HE3      TRP   6  10.234   3.451  -4.568
   54    HZ2  TRP   6           HZ2      TRP   6  15.188   2.893  -4.664
   55    HZ3  TRP   6           HZ3      TRP   6  11.522   4.040  -6.619
   56    HH2  TRP   6           HH2      TRP   6  13.988   3.775  -6.672
   57    H    GLN   7           H        GLN   7   8.875   5.102  -1.812
   58    HA   GLN   7           HA       GLN   7  11.019   6.990  -1.886
   59    HB2  GLN   7          2HB       GLN   7   8.019   7.303  -2.279
   60    HB3  GLN   7          3HB       GLN   7   9.157   8.621  -2.524
   61    HG2  GLN   7          2HG       GLN   7   9.329   5.953  -4.003
   62    HG3  GLN   7          3HG       GLN   7   8.500   7.375  -4.620
   63   HE21  GLN   7          1HE2      GLN   7  11.510   5.753  -4.694
   64   HE22  GLN   7          2HE2      GLN   7  12.444   7.146  -5.221
   65    H    SER   8           H        SER   8   8.172   6.927   0.332
   66    HA   SER   8           HA       SER   8   8.936   9.161   1.935
   67    HB2  SER   8          2HB       SER   8   7.423   6.656   2.774
   68    HB3  SER   8          3HB       SER   8   7.474   8.189   3.663
   69    HG   SER   8           HG       SER   8   6.470   9.195   1.877
   70    H    LYS   9           H        LYS   9   9.767   5.695   2.318
   71    HA   LYS   9           HA       LYS   9  11.343   5.944   4.696
   72    HB2  LYS   9          2HB       LYS   9  11.213   3.886   2.478
   73    HB3  LYS   9          3HB       LYS   9  12.536   3.849   3.642
   74    HG2  LYS   9          2HG       LYS   9  10.909   3.810   5.519
   75    HG3  LYS   9          3HG       LYS   9   9.577   3.711   4.353
   76    HD2  LYS   9          2HD       LYS   9  10.451   1.582   3.486
   77    HD3  LYS   9          3HD       LYS   9  11.900   1.732   4.504
   78    HE2  LYS   9          2HE       LYS   9  10.434   1.702   6.538
   79    HE3  LYS   9          3HE       LYS   9   9.036   1.405   5.496
   80    HZ1  LYS   9          1HZ       LYS   9  10.113  -0.665   4.768
   81    HZ2  LYS   9          2HZ       LYS   9   9.950  -0.668   6.391
   82    HZ3  LYS   9          3HZ       LYS   9  11.407  -0.377   5.723
   83    H    ILE  10           H        ILE  10  12.450   6.079   1.273
   84    HA   ILE  10           HA       ILE  10  15.198   6.495   1.775
   85    HB   ILE  10           HB       ILE  10  13.446   7.684  -0.407
   86   HG12  ILE  10          2HG1      ILE  10  15.518   5.483  -0.717
   87   HG13  ILE  10          3HG1      ILE  10  13.900   5.073  -0.185
   88   HG21  ILE  10          1HG2      ILE  10  15.635   8.034  -1.654
   89   HG22  ILE  10          2HG2      ILE  10  15.446   9.097  -0.269
   90   HG23  ILE  10          3HG2      ILE  10  16.495   7.662  -0.154
   91   HD11  ILE  10          1HD1      ILE  10  12.944   5.472  -2.228
   92   HD12  ILE  10          2HD1      ILE  10  14.038   6.797  -2.642
   93   HD13  ILE  10          3HD1      ILE  10  14.594   5.127  -2.781
   94    H    ARG  11           H        ARG  11  12.659   8.994   1.638
   95    HA   ARG  11           HA       ARG  11  14.351  11.221   2.359
   96    HB2  ARG  11          2HB       ARG  11  11.339  10.795   2.459
   97    HB3  ARG  11          3HB       ARG  11  12.119  12.331   2.863
   98    HG2  ARG  11          2HG       ARG  11  13.092  12.509   0.627
   99    HG3  ARG  11          3HG       ARG  11  12.498  10.905   0.189
  100    HD2  ARG  11          2HD       ARG  11  11.083  12.594  -0.803
  101    HD3  ARG  11          3HD       ARG  11  10.175  11.662   0.400
  102    HE   ARG  11           HE       ARG  11  11.290  14.039   1.599
  103   HH11  ARG  11          1HH1      ARG  11   8.712  13.189  -0.595
  104   HH12  ARG  11          2HH1      ARG  11   7.727  14.547  -0.118
  105   HH21  ARG  11          1HH2      ARG  11   9.990  15.730   2.196
  106   HH22  ARG  11          2HH2      ARG  11   8.446  15.946   1.428
  107    H    ARG  12           H        ARG  12  12.793   8.855   4.392
  108    HA   ARG  12           HA       ARG  12  13.390  10.294   6.910
  109    HB2  ARG  12          2HB       ARG  12  11.733   8.043   6.185
  110    HB3  ARG  12          3HB       ARG  12  12.973   7.417   7.244
  111    HG2  ARG  12          2HG       ARG  12  11.603   8.055   8.903
  112    HG3  ARG  12          3HG       ARG  12  12.291   9.653   8.673
  113    HD2  ARG  12          2HD       ARG  12   9.677   8.536   7.587
  114    HD3  ARG  12          3HD       ARG  12   9.864   9.823   8.768
  115    HE   ARG  12           HE       ARG  12  10.070   9.998   5.840
  116   HH11  ARG  12          1HH1      ARG  12  10.847  11.749   8.768
  117   HH12  ARG  12          2HH1      ARG  12  10.836  13.291   7.957
  118   HH21  ARG  12          1HH2      ARG  12   9.976  11.983   4.890
  119   HH22  ARG  12          2HH2      ARG  12  10.368  13.407   5.808
  120    H    THR  13           H        THR  13  14.671   7.422   5.267
  121    HA   THR  13           HA       THR  13  16.764   6.799   7.036
  122    HB   THR  13           HB       THR  13  16.548   6.260   4.054
  123    HG1  THR  13          1HG       THR  13  15.707   4.309   4.792
  124   HG21  THR  13          1HG2      THR  13  18.858   5.799   4.761
  125   HG22  THR  13          2HG2      THR  13  17.993   4.273   4.561
  126   HG23  THR  13          3HG2      THR  13  18.274   4.922   6.193
  127    H    ASN  14           H        ASN  14  16.801   9.098   4.302
  128    HA   ASN  14           HA       ASN  14  19.547   9.596   4.128
  129    HB2  ASN  14          2HB       ASN  14  17.092  11.183   3.502
  130    HB3  ASN  14          3HB       ASN  14  18.584  12.098   3.694
  131   HD21  ASN  14          1HD2      ASN  14  17.138   9.401   1.848
  132   HD22  ASN  14          2HD2      ASN  14  18.278   9.574   0.506
  133    HA   PRO  15           HA       PRO  15  19.811  12.773   7.640
  134    HB2  PRO  15          2HB       PRO  15  17.709  13.101   9.421
  135    HB3  PRO  15          3HB       PRO  15  18.028  14.126   7.992
  136    HG2  PRO  15          2HG       PRO  15  16.110  11.807   8.241
  137    HG3  PRO  15          3HG       PRO  15  15.834  13.398   7.469
  138    HD2  PRO  15          2HD       PRO  15  16.452  11.216   5.980
  139    HD3  PRO  15          3HD       PRO  15  17.113  12.821   5.576
  140    H    ILE  16           H        ILE  16  17.712   9.976   8.483
  141    HA   ILE  16           HA       ILE  16  18.877   9.410  11.027
  142    HB   ILE  16           HB       ILE  16  17.363   7.686   9.041
  143   HG12  ILE  16          2HG1      ILE  16  16.498   8.986  11.673
  144   HG13  ILE  16          3HG1      ILE  16  16.198   9.679  10.086
  145   HG21  ILE  16          1HG2      ILE  16  18.071   6.984  11.922
  146   HG22  ILE  16          2HG2      ILE  16  16.937   6.081  10.894
  147   HG23  ILE  16          3HG2      ILE  16  18.628   6.132  10.458
  148   HD11  ILE  16          1HD1      ILE  16  14.180   8.633  10.741
  149   HD12  ILE  16          2HD1      ILE  16  14.881   7.594   9.486
  150   HD13  ILE  16          3HD1      ILE  16  14.988   7.131  11.202
  151    H    PHE  17           H        PHE  17  20.078   8.600   7.831
  152    HA   PHE  17           HA       PHE  17  22.236   6.894   8.928
  153    HB2  PHE  17          2HB       PHE  17  21.005   6.241   6.889
  154    HB3  PHE  17          3HB       PHE  17  21.537   7.716   6.090
  155    HD1  PHE  17           HD1      PHE  17  23.166   7.302   4.464
  156    HD2  PHE  17           HD2      PHE  17  23.206   4.951   8.090
  157    HE1  PHE  17           HE1      PHE  17  25.151   6.058   3.645
  158    HE2  PHE  17           HE2      PHE  17  25.201   3.729   7.269
  159    HZ   PHE  17           HZ       PHE  17  26.177   4.274   5.045
  160    H    CYS  18           H        CYS  18  21.918  10.055   7.219
  161    HA   CYS  18           HA       CYS  18  24.706  10.661   7.141
  162    HB2  CYS  18          2HB       CYS  18  22.204  12.390   7.041
  163    HB3  CYS  18          3HB       CYS  18  23.842  13.040   6.845
  164    HG   CYS  18           HG       CYS  18  22.687  12.766   4.486
  165    H    ILE  19           H        ILE  19  22.322  11.245   9.733
  166    HA   ILE  19           HA       ILE  19  24.579  11.857  11.566
  167    HB   ILE  19           HB       ILE  19  23.224  13.490  12.791
  168   HG12  ILE  19          2HG1      ILE  19  21.310  13.564  10.422
  169   HG13  ILE  19          3HG1      ILE  19  20.955  12.738  11.943
  170   HG21  ILE  19          1HG2      ILE  19  23.623  14.357   9.902
  171   HG22  ILE  19          2HG2      ILE  19  23.666  15.379  11.352
  172   HG23  ILE  19          3HG2      ILE  19  24.928  14.172  11.094
  173   HD11  ILE  19          1HD1      ILE  19  21.208  14.903  13.162
  174   HD12  ILE  19          2HD1      ILE  19  21.404  15.723  11.592
  175   HD13  ILE  19          3HD1      ILE  19  19.891  14.889  11.974
  176    H    ARG  20           H        ARG  20  24.233  11.276  13.724
  177    HA   ARG  20           HA       ARG  20  22.039   9.267  14.221
  178    HB2  ARG  20          2HB       ARG  20  24.875   9.302  15.323
  179    HB3  ARG  20          3HB       ARG  20  23.648   8.092  15.677
  180    HG2  ARG  20          2HG       ARG  20  24.929   8.612  12.958
  181    HG3  ARG  20          3HG       ARG  20  25.265   7.264  14.031
  182    HD2  ARG  20          2HD       ARG  20  22.593   7.804  12.668
  183    HD3  ARG  20          3HD       ARG  20  23.802   6.636  12.137
  184    HE   ARG  20           HE       ARG  20  23.390   5.797  14.678
  185   HH11  ARG  20          1HH1      ARG  20  21.007   6.491  12.177
  186   HH12  ARG  20          2HH1      ARG  20  19.918   5.279  12.801
  187   HH21  ARG  20          1HH2      ARG  20  21.923   4.338  15.423
  188   HH22  ARG  20          2HH2      ARG  20  20.413   4.118  14.594
  189    H    ARG  21           H        ARG  21  22.738  12.274  15.014
  190    HA   ARG  21           HA       ARG  21  22.493  12.511  17.850
  191    HB2  ARG  21          2HB       ARG  21  23.274  14.214  16.140
  192    HB3  ARG  21          3HB       ARG  21  21.597  14.528  15.727
  193    HG2  ARG  21          2HG       ARG  21  22.784  14.869  18.524
  194    HG3  ARG  21          3HG       ARG  21  22.738  16.138  17.298
  195    HD2  ARG  21          2HD       ARG  21  20.238  15.937  17.229
  196    HD3  ARG  21          3HD       ARG  21  20.332  14.837  18.622
  197    HE   ARG  21           HE       ARG  21  21.793  17.078  19.386
  198   HH11  ARG  21          1HH1      ARG  21  18.453  16.582  18.478
  199   HH12  ARG  21          2HH1      ARG  21  17.903  17.947  19.414
  200   HH21  ARG  21          1HH2      ARG  21  21.043  18.792  20.551
  201   HH22  ARG  21          2HH2      ARG  21  19.344  19.159  20.563
  202    H    ALA  22           H        ALA  22  19.955  12.925  15.383
  203    HA   ALA  22           HA       ALA  22  17.764  12.742  17.326
  204    HB1  ALA  22          1HB       ALA  22  17.593  14.232  15.386
  205    HB2  ALA  22          2HB       ALA  22  17.781  12.854  14.278
  206    HB3  ALA  22          3HB       ALA  22  16.347  12.971  15.320
  207    H    SER  23           H        SER  23  17.517  10.785  18.260
  208    HA   SER  23           HA       SER  23  16.866   8.463  16.508
  209    HB2  SER  23          2HB       SER  23  19.221   8.252  17.346
  210    HB3  SER  23          3HB       SER  23  18.577   8.171  18.991
  211    HG   SER  23           HG       SER  23  18.169   6.381  16.804
  212    HA   PRO  24           HA       PRO  24  13.579   9.213  19.682
  213    HB2  PRO  24          2HB       PRO  24  11.406   9.335  18.056
  214    HB3  PRO  24          3HB       PRO  24  12.528  10.708  18.275
  215    HG2  PRO  24          2HG       PRO  24  12.498   8.687  16.010
  216    HG3  PRO  24          3HG       PRO  24  12.603  10.471  15.905
  217    HD2  PRO  24          2HD       PRO  24  14.804   8.837  15.803
  218    HD3  PRO  24          3HD       PRO  24  14.857  10.472  16.524
  219    H    THR  25           H        THR  25  14.039   7.164  20.523
  220    HA   THR  25           HA       THR  25  12.703   4.765  19.358
  221    HB   THR  25           HB       THR  25  14.070   3.490  20.990
  222    HG1  THR  25          1HG       THR  25  14.448   5.249  22.431
  223   HG21  THR  25          1HG2      THR  25  14.801   3.813  18.641
  224   HG22  THR  25          2HG2      THR  25  16.170   3.700  19.761
  225   HG23  THR  25          3HG2      THR  25  15.679   5.281  19.118
  Start of MODEL    2
    1    H1   SER   1           H1       SER   1   1.275   1.930  -0.477
    2    H2   SER   1           H2       SER   1   1.121   0.302  -0.402
    3    H3   SER   1           H3       SER   1   0.057   1.179  -1.284
    4    HA   SER   1           HA       SER   1   1.625   0.058  -2.729
    5    HB2  SER   1          2HB       SER   1   0.741   2.081  -3.637
    6    HB3  SER   1          3HB       SER   1   1.803   3.090  -2.642
    7    HG   SER   1           HG       SER   1   2.429   2.683  -4.921
    8    H    LYS   2           H        LYS   2   3.575  -0.782  -2.955
    9    HA   LYS   2           HA       LYS   2   5.712  -0.479  -1.038
   10    HB2  LYS   2          2HB       LYS   2   5.532  -1.780  -3.786
   11    HB3  LYS   2          3HB       LYS   2   7.078  -1.567  -2.988
   12    HG2  LYS   2          2HG       LYS   2   6.511  -3.720  -2.385
   13    HG3  LYS   2          3HG       LYS   2   6.187  -2.750  -0.966
   14    HD2  LYS   2          2HD       LYS   2   4.396  -4.147  -0.962
   15    HD3  LYS   2          3HD       LYS   2   3.670  -2.793  -1.798
   16    HE2  LYS   2          2HE       LYS   2   4.926  -5.229  -3.167
   17    HE3  LYS   2          3HE       LYS   2   3.233  -5.156  -2.693
   18    HZ1  LYS   2          1HZ       LYS   2   4.504  -3.348  -4.678
   19    HZ2  LYS   2          2HZ       LYS   2   2.926  -3.287  -4.212
   20    HZ3  LYS   2          3HZ       LYS   2   3.498  -4.578  -5.010
   21    H    CYS   3           H        CYS   3   5.273   0.936  -4.271
   22    HA   CYS   3           HA       CYS   3   7.777   2.309  -4.419
   23    HB2  CYS   3          2HB       CYS   3   6.264   1.886  -6.341
   24    HB3  CYS   3          3HB       CYS   3   5.095   3.050  -5.683
   25    HG   CYS   3           HG       CYS   3   6.402   4.143  -7.689
   26    H    ARG   4           H        ARG   4   4.583   3.564  -3.381
   27    HA   ARG   4           HA       ARG   4   5.412   6.146  -2.512
   28    HB2  ARG   4          2HB       ARG   4   3.041   5.474  -2.777
   29    HB3  ARG   4          3HB       ARG   4   3.193   4.364  -1.419
   30    HG2  ARG   4          2HG       ARG   4   2.030   6.380  -0.734
   31    HG3  ARG   4          3HG       ARG   4   3.540   6.213   0.144
   32    HD2  ARG   4          2HD       ARG   4   3.204   8.542  -0.476
   33    HD3  ARG   4          3HD       ARG   4   4.609   7.905  -1.312
   34    HE   ARG   4           HE       ARG   4   3.537   8.182  -3.360
   35   HH11  ARG   4          1HH1      ARG   4   1.089   8.624  -0.898
   36   HH12  ARG   4          2HH1      ARG   4  -0.100   9.163  -2.053
   37   HH21  ARG   4          1HH2      ARG   4   1.990   8.864  -4.772
   38   HH22  ARG   4          2HH2      ARG   4   0.410   9.296  -4.190
   39    H    GLN   5           H        GLN   5   5.086   3.186  -0.539
   40    HA   GLN   5           HA       GLN   5   6.051   4.298   1.879
   41    HB2  GLN   5          2HB       GLN   5   4.792   2.189   1.663
   42    HB3  GLN   5          3HB       GLN   5   6.202   1.404   0.933
   43    HG2  GLN   5          2HG       GLN   5   7.470   1.643   2.994
   44    HG3  GLN   5          3HG       GLN   5   6.252   2.715   3.684
   45   HE21  GLN   5          1HE2      GLN   5   5.487   1.533   5.474
   46   HE22  GLN   5          2HE2      GLN   5   4.863  -0.104   5.311
   47    H    TRP   6           H        TRP   6   7.920   2.530  -0.645
   48    HA   TRP   6           HA       TRP   6  10.484   2.710   0.548
   49    HB2  TRP   6          2HB       TRP   6   9.937   1.251  -1.316
   50    HB3  TRP   6          3HB       TRP   6   9.613   2.629  -2.356
   51    HD1  TRP   6           HD1      TRP   6  12.674   1.479  -0.253
   52    HE1  TRP   6           HE1      TRP   6  14.785   1.656  -1.717
   53    HE3  TRP   6           HE3      TRP   6  10.546   3.296  -4.552
   54    HZ2  TRP   6           HZ2      TRP   6  15.454   2.436  -4.404
   55    HZ3  TRP   6           HZ3      TRP   6  11.948   3.719  -6.561
   56    HH2  TRP   6           HH2      TRP   6  14.395   3.298  -6.499
   57    H    GLN   7           H        GLN   7   9.010   4.989  -1.837
   58    HA   GLN   7           HA       GLN   7  11.145   6.885  -1.823
   59    HB2  GLN   7          2HB       GLN   7   8.163   7.176  -2.349
   60    HB3  GLN   7          3HB       GLN   7   9.305   8.498  -2.573
   61    HG2  GLN   7          2HG       GLN   7   9.586   5.824  -4.018
   62    HG3  GLN   7          3HG       GLN   7   8.688   7.191  -4.658
   63   HE21  GLN   7          1HE2      GLN   7   9.848   9.005  -5.539
   64   HE22  GLN   7          2HE2      GLN   7  11.602   8.950  -5.685
   65    H    SER   8           H        SER   8   8.218   6.774   0.244
   66    HA   SER   8           HA       SER   8   8.807   9.116   1.779
   67    HB2  SER   8          2HB       SER   8   6.668   7.494   1.594
   68    HB3  SER   8          3HB       SER   8   7.370   6.819   3.068
   69    HG   SER   8           HG       SER   8   6.281   9.354   2.513
   70    H    LYS   9           H        LYS   9   9.640   5.688   2.380
   71    HA   LYS   9           HA       LYS   9  11.111   6.001   4.819
   72    HB2  LYS   9          2HB       LYS   9  11.214   3.958   2.573
   73    HB3  LYS   9          3HB       LYS   9  12.323   3.883   3.945
   74    HG2  LYS   9          2HG       LYS   9  10.541   3.614   5.527
   75    HG3  LYS   9          3HG       LYS   9   9.309   3.999   4.327
   76    HD2  LYS   9          2HD       LYS   9   9.336   1.608   4.726
   77    HD3  LYS   9          3HD       LYS   9   9.846   1.949   3.064
   78    HE2  LYS   9          2HE       LYS   9  12.221   1.644   3.726
   79    HE3  LYS   9          3HE       LYS   9  11.720   1.335   5.395
   80    HZ1  LYS   9          1HZ       LYS   9  12.085  -0.736   4.174
   81    HZ2  LYS   9          2HZ       LYS   9  10.966  -0.343   3.055
   82    HZ3  LYS   9          3HZ       LYS   9  10.514  -0.630   4.600
   83    H    ILE  10           H        ILE  10  12.334   6.123   1.439
   84    HA   ILE  10           HA       ILE  10  15.055   6.589   2.037
   85    HB   ILE  10           HB       ILE  10  13.348   7.554  -0.274
   86   HG12  ILE  10          2HG1      ILE  10  15.641   5.552  -0.285
   87   HG13  ILE  10          3HG1      ILE  10  14.009   5.041   0.137
   88   HG21  ILE  10          1HG2      ILE  10  15.187   9.182  -0.073
   89   HG22  ILE  10          2HG2      ILE  10  16.361   7.862   0.066
   90   HG23  ILE  10          3HG2      ILE  10  15.485   8.143  -1.442
   91   HD11  ILE  10          1HD1      ILE  10  13.165   5.632  -2.057
   92   HD12  ILE  10          2HD1      ILE  10  14.713   6.349  -2.529
   93   HD13  ILE  10          3HD1      ILE  10  14.602   4.628  -2.231
   94    H    ARG  11           H        ARG  11  12.449   9.008   1.837
   95    HA   ARG  11           HA       ARG  11  14.093  11.309   2.313
   96    HB2  ARG  11          2HB       ARG  11  11.111  10.851   2.707
   97    HB3  ARG  11          3HB       ARG  11  11.899  12.424   2.887
   98    HG2  ARG  11          2HG       ARG  11  12.673  12.386   0.567
   99    HG3  ARG  11          3HG       ARG  11  12.076  10.743   0.345
  100    HD2  ARG  11          2HD       ARG  11  10.515  12.222  -0.685
  101    HD3  ARG  11          3HD       ARG  11   9.753  11.532   0.759
  102    HE   ARG  11           HE       ARG  11  11.026  14.054   1.375
  103   HH11  ARG  11          1HH1      ARG  11   8.158  12.876  -0.236
  104   HH12  ARG  11          2HH1      ARG  11   7.268  14.344   0.071
  105   HH21  ARG  11          1HH2      ARG  11   9.854  15.895   1.738
  106   HH22  ARG  11          2HH2      ARG  11   8.215  16.006   1.166
  107    H    ARG  12           H        ARG  12  12.590   9.164   4.680
  108    HA   ARG  12           HA       ARG  12  13.698  10.750   6.967
  109    HB2  ARG  12          2HB       ARG  12  12.031   8.231   6.749
  110    HB3  ARG  12          3HB       ARG  12  13.052   8.445   8.159
  111    HG2  ARG  12          2HG       ARG  12  11.066   9.364   8.894
  112    HG3  ARG  12          3HG       ARG  12  12.026  10.768   8.459
  113    HD2  ARG  12          2HD       ARG  12   9.851  11.190   7.631
  114    HD3  ARG  12          3HD       ARG  12  10.809  10.761   6.206
  115    HE   ARG  12           HE       ARG  12   9.521   8.438   7.374
  116   HH11  ARG  12          1HH1      ARG  12   8.758  11.145   5.243
  117   HH12  ARG  12          2HH1      ARG  12   7.556  10.169   4.418
  118   HH21  ARG  12          1HH2      ARG  12   7.779   7.431   6.371
  119   HH22  ARG  12          2HH2      ARG  12   7.070   8.263   4.993
  120    H    THR  13           H        THR  13  14.547   7.832   5.193
  121    HA   THR  13           HA       THR  13  16.665   6.938   6.875
  122    HB   THR  13           HB       THR  13  16.430   6.587   3.863
  123    HG1  THR  13          1HG       THR  13  14.671   5.791   5.029
  124   HG21  THR  13          1HG2      THR  13  17.734   4.488   4.292
  125   HG22  THR  13          2HG2      THR  13  18.031   5.044   5.955
  126   HG23  THR  13          3HG2      THR  13  18.685   5.948   4.572
  127    H    ASN  14           H        ASN  14  16.732   9.356   4.262
  128    HA   ASN  14           HA       ASN  14  19.492   9.788   4.057
  129    HB2  ASN  14          2HB       ASN  14  17.072  11.505   3.588
  130    HB3  ASN  14          3HB       ASN  14  18.638  12.308   3.694
  131   HD21  ASN  14          1HD2      ASN  14  16.899   9.714   1.914
  132   HD22  ASN  14          2HD2      ASN  14  17.950   9.875   0.503
  133    HA   PRO  15           HA       PRO  15  19.877  12.861   7.644
  134    HB2  PRO  15          2HB       PRO  15  17.821  13.194   9.477
  135    HB3  PRO  15          3HB       PRO  15  18.117  14.233   8.053
  136    HG2  PRO  15          2HG       PRO  15  16.183  11.928   8.315
  137    HG3  PRO  15          3HG       PRO  15  15.898  13.536   7.585
  138    HD2  PRO  15          2HD       PRO  15  16.456  11.388   6.031
  139    HD3  PRO  15          3HD       PRO  15  17.135  12.991   5.649
  140    H    ILE  16           H        ILE  16  17.739  10.092   8.493
  141    HA   ILE  16           HA       ILE  16  18.948   9.465  11.000
  142    HB   ILE  16           HB       ILE  16  17.394   7.781   9.010
  143   HG12  ILE  16          2HG1      ILE  16  16.603   9.023  11.693
  144   HG13  ILE  16          3HG1      ILE  16  16.249   9.741  10.130
  145   HG21  ILE  16          1HG2      ILE  16  18.725   6.212  10.362
  146   HG22  ILE  16          2HG2      ILE  16  18.186   7.014  11.854
  147   HG23  ILE  16          3HG2      ILE  16  17.042   6.123  10.827
  148   HD11  ILE  16          1HD1      ILE  16  14.259   8.667  10.823
  149   HD12  ILE  16          2HD1      ILE  16  14.938   7.647   9.539
  150   HD13  ILE  16          3HD1      ILE  16  15.095   7.169  11.246
  151    H    PHE  17           H        PHE  17  19.937   8.497   7.722
  152    HA   PHE  17           HA       PHE  17  22.100   6.777   8.684
  153    HB2  PHE  17          2HB       PHE  17  20.900   6.353   6.573
  154    HB3  PHE  17          3HB       PHE  17  21.472   7.885   5.924
  155    HD1  PHE  17           HD1      PHE  17  22.875   4.767   7.548
  156    HD2  PHE  17           HD2      PHE  17  23.322   7.769   4.477
  157    HE1  PHE  17           HE1      PHE  17  24.898   3.602   6.699
  158    HE2  PHE  17           HE2      PHE  17  25.330   6.587   3.621
  159    HZ   PHE  17           HZ       PHE  17  26.123   4.506   4.732
  160    H    CYS  18           H        CYS  18  21.922  10.048   7.164
  161    HA   CYS  18           HA       CYS  18  24.717  10.531   7.120
  162    HB2  CYS  18          2HB       CYS  18  22.302  12.379   7.126
  163    HB3  CYS  18          3HB       CYS  18  23.967  12.966   6.947
  164    HG   CYS  18           HG       CYS  18  22.791  12.849   4.587
  165    H    ILE  19           H        ILE  19  22.406  11.179   9.772
  166    HA   ILE  19           HA       ILE  19  24.735  11.618  11.572
  167    HB   ILE  19           HB       ILE  19  23.484  13.345  12.816
  168   HG12  ILE  19          2HG1      ILE  19  21.680  13.594  10.373
  169   HG13  ILE  19          3HG1      ILE  19  21.187  12.874  11.907
  170   HG21  ILE  19          1HG2      ILE  19  25.326  13.841  11.197
  171   HG22  ILE  19          2HG2      ILE  19  24.099  14.182   9.959
  172   HG23  ILE  19          3HG2      ILE  19  24.203  15.180  11.424
  173   HD11  ILE  19          1HD1      ILE  19  21.985  15.772  11.467
  174   HD12  ILE  19          2HD1      ILE  19  20.380  15.128  11.844
  175   HD13  ILE  19          3HD1      ILE  19  21.668  15.039  13.061
  176    H    ARG  20           H        ARG  20  24.637  10.727  13.511
  177    HA   ARG  20           HA       ARG  20  22.256   9.045  14.227
  178    HB2  ARG  20          2HB       ARG  20  25.153   8.871  15.157
  179    HB3  ARG  20          3HB       ARG  20  23.857   7.780  15.635
  180    HG2  ARG  20          2HG       ARG  20  25.007   8.077  12.830
  181    HG3  ARG  20          3HG       ARG  20  25.230   6.733  13.950
  182    HD2  ARG  20          2HD       ARG  20  22.674   6.415  13.873
  183    HD3  ARG  20          3HD       ARG  20  22.668   7.568  12.543
  184    HE   ARG  20           HE       ARG  20  23.715   6.022  11.132
  185   HH11  ARG  20          1HH1      ARG  20  23.480   4.594  14.319
  186   HH12  ARG  20          2HH1      ARG  20  23.815   2.988  13.731
  187   HH21  ARG  20          1HH2      ARG  20  24.156   3.955  10.445
  188   HH22  ARG  20          2HH2      ARG  20  24.183   2.648  11.590
  189    H    ARG  21           H        ARG  21  23.399  11.972  15.049
  190    HA   ARG  21           HA       ARG  21  22.673  11.937  17.936
  191    HB2  ARG  21          2HB       ARG  21  23.498  14.232  17.983
  192    HB3  ARG  21          3HB       ARG  21  24.687  13.139  17.288
  193    HG2  ARG  21          2HG       ARG  21  24.063  13.924  14.993
  194    HG3  ARG  21          3HG       ARG  21  22.854  15.003  15.700
  195    HD2  ARG  21          2HD       ARG  21  24.812  16.278  15.159
  196    HD3  ARG  21          3HD       ARG  21  24.662  16.197  16.924
  197    HE   ARG  21           HE       ARG  21  26.347  14.058  16.101
  198   HH11  ARG  21          1HH1      ARG  21  26.540  17.543  16.127
  199   HH12  ARG  21          2HH1      ARG  21  28.279  17.541  16.252
  200   HH21  ARG  21          1HH2      ARG  21  28.549  14.105  16.279
  201   HH22  ARG  21          2HH2      ARG  21  29.379  15.630  16.336
  202    H    ALA  22           H        ALA  22  21.383  13.847  18.693
  203    HA   ALA  22           HA       ALA  22  19.109  14.638  16.964
  204    HB1  ALA  22          1HB       ALA  22  18.397  12.585  18.169
  205    HB2  ALA  22          2HB       ALA  22  18.811  13.352  19.719
  206    HB3  ALA  22          3HB       ALA  22  17.492  14.004  18.722
  207    H    SER  23           H        SER  23  17.730  16.289  18.158
  208    HA   SER  23           HA       SER  23  19.376  18.163  19.832
  209    HB2  SER  23          2HB       SER  23  17.598  18.889  17.487
  210    HB3  SER  23          3HB       SER  23  18.399  20.031  18.584
  211    HG   SER  23           HG       SER  23  19.604  19.664  16.656
  212    HA   PRO  24           HA       PRO  24  15.313  17.590  21.986
  213    HB2  PRO  24          2HB       PRO  24  16.196  16.871  24.450
  214    HB3  PRO  24          3HB       PRO  24  16.112  15.717  23.090
  215    HG2  PRO  24          2HG       PRO  24  18.546  17.255  24.056
  216    HG3  PRO  24          3HG       PRO  24  18.407  15.502  23.711
  217    HD2  PRO  24          2HD       PRO  24  19.390  17.305  21.891
  218    HD3  PRO  24          3HD       PRO  24  18.468  15.854  21.399
  219    H    THR  25           H        THR  25  15.412  19.888  21.404
  220    HA   THR  25           HA       THR  25  16.617  21.979  22.862
  221    HB   THR  25           HB       THR  25  13.907  22.093  21.494
  222    HG1  THR  25          1HG       THR  25  16.525  22.368  20.427
  223   HG21  THR  25          1HG2      THR  25  14.599  24.415  20.941
  224   HG22  THR  25          2HG2      THR  25  16.066  24.209  21.927
  225   HG23  THR  25          3HG2      THR  25  14.460  24.172  22.686
  Start of MODEL    3
    1    H1   SER   1           H1       SER   1   3.296  -1.553  -5.870
    2    H2   SER   1           H2       SER   1   3.594  -2.508  -7.164
    3    H3   SER   1           H3       SER   1   4.377  -1.086  -7.021
    4    HA   SER   1           HA       SER   1   4.713  -3.415  -5.255
    5    HB2  SER   1          2HB       SER   1   7.054  -3.417  -6.271
    6    HB3  SER   1          3HB       SER   1   5.726  -3.952  -7.306
    7    HG   SER   1           HG       SER   1   7.152  -2.472  -8.362
    8    H    LYS   2           H        LYS   2   4.060  -1.680  -3.620
    9    HA   LYS   2           HA       LYS   2   4.497  -0.199  -1.947
   10    HB2  LYS   2          2HB       LYS   2   7.157  -1.671  -1.974
   11    HB3  LYS   2          3HB       LYS   2   6.465  -0.825  -0.598
   12    HG2  LYS   2          2HG       LYS   2   5.249  -3.292  -1.909
   13    HG3  LYS   2          3HG       LYS   2   6.236  -3.266  -0.452
   14    HD2  LYS   2          2HD       LYS   2   4.540  -1.891   0.719
   15    HD3  LYS   2          3HD       LYS   2   3.558  -1.838  -0.747
   16    HE2  LYS   2          2HE       LYS   2   2.592  -3.478   0.682
   17    HE3  LYS   2          3HE       LYS   2   3.314  -4.309  -0.697
   18    HZ1  LYS   2          1HZ       LYS   2   3.822  -5.414   1.413
   19    HZ2  LYS   2          2HZ       LYS   2   4.556  -4.082   1.999
   20    HZ3  LYS   2          3HZ       LYS   2   5.205  -4.890   0.732
   21    H    CYS   3           H        CYS   3   5.373   0.930  -4.599
   22    HA   CYS   3           HA       CYS   3   7.792   2.319  -4.391
   23    HB2  CYS   3          2HB       CYS   3   6.487   1.943  -6.472
   24    HB3  CYS   3          3HB       CYS   3   5.325   3.186  -5.960
   25    HG   CYS   3           HG       CYS   3   6.946   4.151  -7.807
   26    H    ARG   4           H        ARG   4   4.557   3.648  -3.574
   27    HA   ARG   4           HA       ARG   4   5.379   6.230  -2.718
   28    HB2  ARG   4          2HB       ARG   4   3.009   5.553  -3.079
   29    HB3  ARG   4          3HB       ARG   4   3.089   4.506  -1.666
   30    HG2  ARG   4          2HG       ARG   4   1.960   6.473  -0.964
   31    HG3  ARG   4          3HG       ARG   4   3.556   6.551  -0.243
   32    HD2  ARG   4          2HD       ARG   4   3.174   8.738  -1.014
   33    HD3  ARG   4          3HD       ARG   4   4.232   8.057  -2.234
   34    HE   ARG   4           HE       ARG   4   2.473   8.078  -3.803
   35   HH11  ARG   4          1HH1      ARG   4   1.159   9.021  -0.700
   36   HH12  ARG   4          2HH1      ARG   4  -0.345   9.561  -1.394
   37   HH21  ARG   4          1HH2      ARG   4   0.532   8.763  -4.626
   38   HH22  ARG   4          2HH2      ARG   4  -0.680   9.410  -3.561
   39    H    GLN   5           H        GLN   5   4.961   3.326  -0.718
   40    HA   GLN   5           HA       GLN   5   5.886   4.384   1.750
   41    HB2  GLN   5          2HB       GLN   5   4.670   2.260   1.544
   42    HB3  GLN   5          3HB       GLN   5   6.014   1.537   0.667
   43    HG2  GLN   5          2HG       GLN   5   5.973   0.793   2.996
   44    HG3  GLN   5          3HG       GLN   5   7.457   1.670   2.643
   45   HE21  GLN   5          1HE2      GLN   5   4.093   2.372   3.922
   46   HE22  GLN   5          2HE2      GLN   5   4.707   3.474   5.151
   47    H    TRP   6           H        TRP   6   7.762   2.559  -0.729
   48    HA   TRP   6           HA       TRP   6  10.313   2.767   0.457
   49    HB2  TRP   6          2HB       TRP   6   9.791   1.295  -1.404
   50    HB3  TRP   6          3HB       TRP   6   9.492   2.665  -2.461
   51    HD1  TRP   6           HD1      TRP   6  12.510   1.596  -0.254
   52    HE1  TRP   6           HE1      TRP   6  14.664   1.790  -1.653
   53    HE3  TRP   6           HE3      TRP   6  10.481   3.243  -4.668
   54    HZ2  TRP   6           HZ2      TRP   6  15.409   2.558  -4.320
   55    HZ3  TRP   6           HZ3      TRP   6  11.950   3.682  -6.634
   56    HH2  TRP   6           HH2      TRP   6  14.403   3.357  -6.466
   57    H    GLN   7           H        GLN   7   8.876   5.043  -1.941
   58    HA   GLN   7           HA       GLN   7  11.011   6.913  -1.987
   59    HB2  GLN   7          2HB       GLN   7   8.022   7.193  -2.465
   60    HB3  GLN   7          3HB       GLN   7   9.124   8.548  -2.657
   61    HG2  GLN   7          2HG       GLN   7   9.393   5.908  -4.156
   62    HG3  GLN   7          3HG       GLN   7   8.610   7.345  -4.798
   63   HE21  GLN   7          1HE2      GLN   7  11.122   5.831  -5.693
   64   HE22  GLN   7          2HE2      GLN   7  12.326   7.113  -5.762
   65    H    SER   8           H        SER   8   8.109   6.976   0.197
   66    HA   SER   8           HA       SER   8   8.969   9.294   1.678
   67    HB2  SER   8          2HB       SER   8   7.217   6.945   2.500
   68    HB3  SER   8          3HB       SER   8   7.425   8.429   3.447
   69    HG   SER   8           HG       SER   8   6.500   9.618   1.791
   70    H    LYS   9           H        LYS   9   9.551   5.814   2.225
   71    HA   LYS   9           HA       LYS   9  10.985   6.079   4.679
   72    HB2  LYS   9          2HB       LYS   9   9.871   4.034   3.693
   73    HB3  LYS   9          3HB       LYS   9  11.278   3.836   2.639
   74    HG2  LYS   9          2HG       LYS   9  12.723   3.525   4.603
   75    HG3  LYS   9          3HG       LYS   9  11.386   3.959   5.689
   76    HD2  LYS   9          2HD       LYS   9  10.091   1.987   4.852
   77    HD3  LYS   9          3HD       LYS   9  11.491   1.515   3.864
   78    HE2  LYS   9          2HE       LYS   9  12.868   1.298   5.909
   79    HE3  LYS   9          3HE       LYS   9  11.511   1.847   6.900
   80    HZ1  LYS   9          1HZ       LYS   9  11.670  -0.574   6.901
   81    HZ2  LYS   9          2HZ       LYS   9  11.526  -0.644   5.279
   82    HZ3  LYS   9          3HZ       LYS   9  10.272  -0.129   6.192
   83    H    ILE  10           H        ILE  10  12.199   6.141   1.328
   84    HA   ILE  10           HA       ILE  10  14.991   6.411   1.896
   85    HB   ILE  10           HB       ILE  10  13.299   7.585  -0.336
   86   HG12  ILE  10          2HG1      ILE  10  15.378   5.366  -0.508
   87   HG13  ILE  10          3HG1      ILE  10  13.713   5.010  -0.120
   88   HG21  ILE  10          1HG2      ILE  10  16.340   7.606  -0.045
   89   HG22  ILE  10          2HG2      ILE  10  15.479   7.968  -1.550
   90   HG23  ILE  10          3HG2      ILE  10  15.273   9.028  -0.166
   91   HD11  ILE  10          1HD1      ILE  10  13.725   6.716  -2.476
   92   HD12  ILE  10          2HD1      ILE  10  14.834   5.351  -2.706
   93   HD13  ILE  10          3HD1      ILE  10  13.133   5.067  -2.285
   94    H    ARG  11           H        ARG  11  12.527   9.020   1.582
   95    HA   ARG  11           HA       ARG  11  14.308  11.161   2.306
   96    HB2  ARG  11          2HB       ARG  11  11.316  10.874   2.117
   97    HB3  ARG  11          3HB       ARG  11  11.931  12.163   3.138
   98    HG2  ARG  11          2HG       ARG  11  11.649  13.187   1.062
   99    HG3  ARG  11          3HG       ARG  11  13.381  12.961   1.239
  100    HD2  ARG  11          2HD       ARG  11  12.827  12.410  -1.028
  101    HD3  ARG  11          3HD       ARG  11  13.196  10.893  -0.215
  102    HE   ARG  11           HE       ARG  11  10.996  10.203  -0.448
  103   HH11  ARG  11          1HH1      ARG  11  11.081  13.578  -1.392
  104   HH12  ARG  11          2HH1      ARG  11   9.412  13.579  -1.887
  105   HH21  ARG  11          1HH2      ARG  11   8.850  10.303  -1.013
  106   HH22  ARG  11          2HH2      ARG  11   8.200  11.759  -1.701
  107    H    ARG  12           H        ARG  12  12.308   9.128   4.411
  108    HA   ARG  12           HA       ARG  12  13.164  10.503   6.845
  109    HB2  ARG  12          2HB       ARG  12  11.035   9.208   6.589
  110    HB3  ARG  12          3HB       ARG  12  11.972   7.706   6.609
  111    HG2  ARG  12          2HG       ARG  12  12.736   8.151   8.888
  112    HG3  ARG  12          3HG       ARG  12  12.128   9.808   8.818
  113    HD2  ARG  12          2HD       ARG  12  10.617   8.566  10.162
  114    HD3  ARG  12          3HD       ARG  12   9.804   8.943   8.636
  115    HE   ARG  12           HE       ARG  12  11.080   6.337   8.547
  116   HH11  ARG  12          1HH1      ARG  12   8.225   7.882   9.839
  117   HH12  ARG  12          2HH1      ARG  12   7.329   6.390   9.918
  118   HH21  ARG  12          1HH2      ARG  12   9.897   4.459   8.675
  119   HH22  ARG  12          2HH2      ARG  12   8.264   4.505   9.269
  120    H    THR  13           H        THR  13  14.389   7.642   5.162
  121    HA   THR  13           HA       THR  13  16.345   6.867   7.125
  122    HB   THR  13           HB       THR  13  16.332   6.400   4.118
  123    HG1  THR  13          1HG       THR  13  14.610   5.465   5.082
  124   HG21  THR  13          1HG2      THR  13  17.766   4.421   4.670
  125   HG22  THR  13          2HG2      THR  13  17.959   5.054   6.322
  126   HG23  THR  13          3HG2      THR  13  18.595   5.959   4.928
  127    H    ASN  14           H        ASN  14  16.541   9.161   4.413
  128    HA   ASN  14           HA       ASN  14  19.261   9.605   4.244
  129    HB2  ASN  14          2HB       ASN  14  16.850  11.269   3.678
  130    HB3  ASN  14          3HB       ASN  14  18.363  12.148   3.851
  131   HD21  ASN  14          1HD2      ASN  14  16.894   9.401   2.048
  132   HD22  ASN  14          2HD2      ASN  14  17.978   9.616   0.669
  133    HA   PRO  15           HA       PRO  15  19.681  12.836   7.709
  134    HB2  PRO  15          2HB       PRO  15  17.704  13.144   9.617
  135    HB3  PRO  15          3HB       PRO  15  17.842  14.119   8.124
  136    HG2  PRO  15          2HG       PRO  15  16.101  11.690   8.610
  137    HG3  PRO  15          3HG       PRO  15  15.646  13.247   7.849
  138    HD2  PRO  15          2HD       PRO  15  16.275  11.078   6.356
  139    HD3  PRO  15          3HD       PRO  15  16.786  12.711   5.849
  140    H    ILE  16           H        ILE  16  17.708  10.012   8.682
  141    HA   ILE  16           HA       ILE  16  19.007   9.427  11.153
  142    HB   ILE  16           HB       ILE  16  17.499   7.661   9.190
  143   HG12  ILE  16          2HG1      ILE  16  16.680   8.961  11.834
  144   HG13  ILE  16          3HG1      ILE  16  16.235   9.550  10.238
  145   HG21  ILE  16          1HG2      ILE  16  18.343   6.981  12.041
  146   HG22  ILE  16          2HG2      ILE  16  17.257   6.009  11.021
  147   HG23  ILE  16          3HG2      ILE  16  18.933   6.194  10.558
  148   HD11  ILE  16          1HD1      ILE  16  14.346   8.395  11.077
  149   HD12  ILE  16          2HD1      ILE  16  15.045   7.353   9.821
  150   HD13  ILE  16          3HD1      ILE  16  15.294   6.980  11.545
  151    H    PHE  17           H        PHE  17  19.895   8.507   7.841
  152    HA   PHE  17           HA       PHE  17  22.202   6.916   8.665
  153    HB2  PHE  17          2HB       PHE  17  20.903   6.520   6.582
  154    HB3  PHE  17          3HB       PHE  17  21.448   8.069   5.952
  155    HD1  PHE  17           HD1      PHE  17  22.737   4.805   7.315
  156    HD2  PHE  17           HD2      PHE  17  23.470   8.150   4.688
  157    HE1  PHE  17           HE1      PHE  17  24.778   3.682   6.454
  158    HE2  PHE  17           HE2      PHE  17  25.505   7.017   3.821
  159    HZ   PHE  17           HZ       PHE  17  26.164   4.785   4.705
  160    H    CYS  18           H        CYS  18  21.808  10.199   7.223
  161    HA   CYS  18           HA       CYS  18  24.572  10.802   7.062
  162    HB2  CYS  18          2HB       CYS  18  22.081  12.545   7.150
  163    HB3  CYS  18          3HB       CYS  18  23.709  13.198   6.891
  164    HG   CYS  18           HG       CYS  18  22.434  12.998   4.586
  165    H    ILE  19           H        ILE  19  22.372  11.330   9.825
  166    HA   ILE  19           HA       ILE  19  24.741  12.049  11.487
  167    HB   ILE  19           HB       ILE  19  23.315  13.666  12.754
  168   HG12  ILE  19          2HG1      ILE  19  21.501  13.641  10.302
  169   HG13  ILE  19          3HG1      ILE  19  21.080  12.949  11.873
  170   HG21  ILE  19          1HG2      ILE  19  23.856  14.473   9.870
  171   HG22  ILE  19          2HG2      ILE  19  23.833  15.526  11.298
  172   HG23  ILE  19          3HG2      ILE  19  25.099  14.310  11.128
  173   HD11  ILE  19          1HD1      ILE  19  21.353  15.230  12.894
  174   HD12  ILE  19          2HD1      ILE  19  21.554  15.883  11.249
  175   HD13  ILE  19          3HD1      ILE  19  20.040  15.093  11.708
  176    H    ARG  20           H        ARG  20  24.823  11.235  13.462
  177    HA   ARG  20           HA       ARG  20  22.560   9.495  14.412
  178    HB2  ARG  20          2HB       ARG  20  24.099   7.947  15.305
  179    HB3  ARG  20          3HB       ARG  20  24.548   8.239  13.627
  180    HG2  ARG  20          2HG       ARG  20  26.448   9.627  14.317
  181    HG3  ARG  20          3HG       ARG  20  25.913   9.599  15.996
  182    HD2  ARG  20          2HD       ARG  20  27.295   7.906  16.320
  183    HD3  ARG  20          3HD       ARG  20  26.128   6.892  15.500
  184    HE   ARG  20           HE       ARG  20  28.683   7.985  14.442
  185   HH11  ARG  20          1HH1      ARG  20  25.898   6.024  13.637
  186   HH12  ARG  20          2HH1      ARG  20  26.722   5.256  12.306
  187   HH21  ARG  20          1HH2      ARG  20  29.672   6.965  12.774
  188   HH22  ARG  20          2HH2      ARG  20  28.809   5.782  11.840
  189    H    ARG  21           H        ARG  21  24.295  12.238  15.318
  190    HA   ARG  21           HA       ARG  21  24.165  11.869  18.230
  191    HB2  ARG  21          2HB       ARG  21  24.801  14.332  16.544
  192    HB3  ARG  21          3HB       ARG  21  24.838  14.274  18.313
  193    HG2  ARG  21          2HG       ARG  21  26.481  12.353  18.153
  194    HG3  ARG  21          3HG       ARG  21  26.589  12.646  16.413
  195    HD2  ARG  21          2HD       ARG  21  27.217  14.676  18.598
  196    HD3  ARG  21          3HD       ARG  21  28.421  13.693  17.754
  197    HE   ARG  21           HE       ARG  21  27.069  14.989  15.704
  198   HH11  ARG  21          1HH1      ARG  21  28.910  16.107  18.456
  199   HH12  ARG  21          2HH1      ARG  21  29.406  17.573  17.652
  200   HH21  ARG  21          1HH2      ARG  21  27.726  16.871  14.727
  201   HH22  ARG  21          2HH2      ARG  21  28.750  17.979  15.590
  202    H    ALA  22           H        ALA  22  22.487  14.195  16.099
  203    HA   ALA  22           HA       ALA  22  20.277  14.531  18.021
  204    HB1  ALA  22          1HB       ALA  22  20.591  15.519  15.151
  205    HB2  ALA  22          2HB       ALA  22  19.370  16.046  16.326
  206    HB3  ALA  22          3HB       ALA  22  21.082  16.417  16.607
  207    H    SER  23           H        SER  23  18.207  13.756  17.760
  208    HA   SER  23           HA       SER  23  17.543  11.859  15.546
  209    HB2  SER  23          2HB       SER  23  17.203  11.261  18.503
  210    HB3  SER  23          3HB       SER  23  16.542  10.297  17.168
  211    HG   SER  23           HG       SER  23  18.546   9.474  17.951
  212    HA   PRO  24           HA       PRO  24  14.208  14.973  16.462
  213    HB2  PRO  24          2HB       PRO  24  13.680  15.797  13.905
  214    HB3  PRO  24          3HB       PRO  24  15.033  16.439  14.885
  215    HG2  PRO  24          2HG       PRO  24  15.129  14.244  12.792
  216    HG3  PRO  24          3HG       PRO  24  16.208  15.667  12.953
  217    HD2  PRO  24          2HD       PRO  24  16.892  13.217  13.925
  218    HD3  PRO  24          3HD       PRO  24  17.339  14.717  14.790
  219    H    THR  25           H        THR  25  11.972  14.858  16.129
  220    HA   THR  25           HA       THR  25  10.801  12.268  15.514
  221    HB   THR  25           HB       THR  25   8.632  13.529  15.941
  222    HG1  THR  25          1HG       THR  25   9.543  15.608  15.481
  223   HG21  THR  25          1HG2      THR  25  10.769  13.607  18.120
  224   HG22  THR  25          2HG2      THR  25   9.768  12.203  17.686
  225   HG23  THR  25          3HG2      THR  25   9.009  13.653  18.366
  Start of MODEL    4
    1    H1   SER   1           H1       SER   1   1.327   1.523   0.180
    2    H2   SER   1           H2       SER   1   1.322  -0.118   0.177
    3    H3   SER   1           H3       SER   1   0.055   0.713  -0.452
    4    HA   SER   1           HA       SER   1   1.424  -0.206  -2.202
    5    HB2  SER   1          2HB       SER   1   1.464   2.832  -2.038
    6    HB3  SER   1          3HB       SER   1   1.669   1.871  -3.513
    7    HG   SER   1           HG       SER   1  -0.421   1.275  -3.445
    8    H    LYS   2           H        LYS   2   3.397  -0.915  -2.674
    9    HA   LYS   2           HA       LYS   2   5.657  -0.580  -1.013
   10    HB2  LYS   2          2HB       LYS   2   5.284  -1.727  -3.799
   11    HB3  LYS   2          3HB       LYS   2   6.900  -1.460  -3.180
   12    HG2  LYS   2          2HG       LYS   2   6.491  -3.676  -2.640
   13    HG3  LYS   2          3HG       LYS   2   6.367  -2.779  -1.145
   14    HD2  LYS   2          2HD       LYS   2   4.646  -4.240  -0.917
   15    HD3  LYS   2          3HD       LYS   2   3.752  -2.884  -1.568
   16    HE2  LYS   2          2HE       LYS   2   4.853  -5.215  -3.225
   17    HE3  LYS   2          3HE       LYS   2   3.255  -5.229  -2.486
   18    HZ1  LYS   2          1HZ       LYS   2   2.642  -3.321  -3.852
   19    HZ2  LYS   2          2HZ       LYS   2   3.132  -4.552  -4.789
   20    HZ3  LYS   2          3HZ       LYS   2   4.130  -3.292  -4.560
   21    H    CYS   3           H        CYS   3   5.214   0.937  -4.216
   22    HA   CYS   3           HA       CYS   3   7.655   2.377  -4.223
   23    HB2  CYS   3          2HB       CYS   3   6.200   1.979  -6.199
   24    HB3  CYS   3          3HB       CYS   3   5.033   3.161  -5.574
   25    HG   CYS   3           HG       CYS   3   6.449   4.235  -7.522
   26    H    ARG   4           H        ARG   4   4.444   3.564  -3.164
   27    HA   ARG   4           HA       ARG   4   5.230   6.166  -2.325
   28    HB2  ARG   4          2HB       ARG   4   2.871   5.412  -2.604
   29    HB3  ARG   4          3HB       ARG   4   3.035   4.372  -1.194
   30    HG2  ARG   4          2HG       ARG   4   1.833   6.387  -0.585
   31    HG3  ARG   4          3HG       ARG   4   3.366   6.328   0.268
   32    HD2  ARG   4          2HD       ARG   4   2.954   8.586  -0.465
   33    HD3  ARG   4          3HD       ARG   4   4.332   7.948  -1.367
   34    HE   ARG   4           HE       ARG   4   1.840   7.530  -2.796
   35   HH11  ARG   4          1HH1      ARG   4   4.120  10.089  -2.125
   36   HH12  ARG   4          2HH1      ARG   4   3.674  10.988  -3.551
   37   HH21  ARG   4          1HH2      ARG   4   1.315   8.701  -4.593
   38   HH22  ARG   4          2HH2      ARG   4   2.115  10.211  -4.908
   39    H    GLN   5           H        GLN   5   5.036   3.186  -0.379
   40    HA   GLN   5           HA       GLN   5   6.092   4.300   2.046
   41    HB2  GLN   5          2HB       GLN   5   5.990   1.471   0.937
   42    HB3  GLN   5          3HB       GLN   5   6.750   1.832   2.484
   43    HG2  GLN   5          2HG       GLN   5   3.857   2.493   1.784
   44    HG3  GLN   5          3HG       GLN   5   4.377   1.092   2.714
   45   HE21  GLN   5          1HE2      GLN   5   2.795   3.822   3.330
   46   HE22  GLN   5          2HE2      GLN   5   3.555   4.263   4.854
   47    H    TRP   6           H        TRP   6   7.834   2.552  -0.583
   48    HA   TRP   6           HA       TRP   6  10.437   2.761   0.478
   49    HB2  TRP   6          2HB       TRP   6   9.852   1.312  -1.368
   50    HB3  TRP   6          3HB       TRP   6   9.434   2.684  -2.382
   51    HD1  TRP   6           HD1      TRP   6  12.625   1.559  -0.472
   52    HE1  TRP   6           HE1      TRP   6  14.659   1.864  -2.024
   53    HE3  TRP   6           HE3      TRP   6  10.250   3.533  -4.568
   54    HZ2  TRP   6           HZ2      TRP   6  15.183   2.818  -4.686
   55    HZ3  TRP   6           HZ3      TRP   6  11.553   4.140  -6.599
   56    HH2  TRP   6           HH2      TRP   6  14.009   3.792  -6.668
   57    H    GLN   7           H        GLN   7   8.910   5.033  -1.864
   58    HA   GLN   7           HA       GLN   7  11.014   6.945  -1.957
   59    HB2  GLN   7          2HB       GLN   7   8.004   7.227  -2.299
   60    HB3  GLN   7          3HB       GLN   7   9.124   8.548  -2.603
   61    HG2  GLN   7          2HG       GLN   7   9.275   5.860  -4.043
   62    HG3  GLN   7          3HG       GLN   7   8.384   7.251  -4.639
   63   HE21  GLN   7          1HE2      GLN   7  10.066   6.531  -6.469
   64   HE22  GLN   7          2HE2      GLN   7  11.548   7.484  -6.426
   65    H    SER   8           H        SER   8   8.201   6.820   0.263
   66    HA   SER   8           HA       SER   8   8.937   9.157   1.787
   67    HB2  SER   8          2HB       SER   8   7.332   6.735   2.701
   68    HB3  SER   8          3HB       SER   8   7.401   8.322   3.489
   69    HG   SER   8           HG       SER   8   6.292   7.623   0.974
   70    H    LYS   9           H        LYS   9   9.747   5.699   2.218
   71    HA   LYS   9           HA       LYS   9  11.098   5.987   4.734
   72    HB2  LYS   9          2HB       LYS   9  10.150   3.873   3.698
   73    HB3  LYS   9          3HB       LYS   9  11.597   3.797   2.679
   74    HG2  LYS   9          2HG       LYS   9  13.008   3.664   4.711
   75    HG3  LYS   9          3HG       LYS   9  11.579   3.921   5.730
   76    HD2  LYS   9          2HD       LYS   9  10.603   1.774   4.734
   77    HD3  LYS   9          3HD       LYS   9  12.160   1.528   3.936
   78    HE2  LYS   9          2HE       LYS   9  12.205   0.205   5.909
   79    HE3  LYS   9          3HE       LYS   9  13.265   1.584   6.214
   80    HZ1  LYS   9          1HZ       LYS   9  11.444   2.601   7.492
   81    HZ2  LYS   9          2HZ       LYS   9  11.777   1.125   8.095
   82    HZ3  LYS   9          3HZ       LYS   9  10.454   1.339   7.169
   83    H    ILE  10           H        ILE  10  12.403   5.994   1.406
   84    HA   ILE  10           HA       ILE  10  15.147   6.425   1.949
   85    HB   ILE  10           HB       ILE  10  13.386   7.583  -0.240
   86   HG12  ILE  10          2HG1      ILE  10  15.527   5.451  -0.535
   87   HG13  ILE  10          3HG1      ILE  10  13.911   4.999  -0.034
   88   HG21  ILE  10          1HG2      ILE  10  15.544   8.052  -1.473
   89   HG22  ILE  10          2HG2      ILE  10  15.341   9.065  -0.060
   90   HG23  ILE  10          3HG2      ILE  10  16.431   7.655   0.003
   91   HD11  ILE  10          1HD1      ILE  10  14.313   6.637  -2.567
   92   HD12  ILE  10          2HD1      ILE  10  14.450   4.882  -2.541
   93   HD13  ILE  10          3HD1      ILE  10  12.923   5.656  -2.073
   94    H    ARG  11           H        ARG  11  12.542   8.854   1.858
   95    HA   ARG  11           HA       ARG  11  14.228  11.112   2.508
   96    HB2  ARG  11          2HB       ARG  11  11.211  10.728   2.640
   97    HB3  ARG  11          3HB       ARG  11  12.027  12.274   2.893
   98    HG2  ARG  11          2HG       ARG  11  12.948  12.248   0.630
   99    HG3  ARG  11          3HG       ARG  11  12.348  10.617   0.350
  100    HD2  ARG  11          2HD       ARG  11  10.866  12.082  -0.772
  101    HD3  ARG  11          3HD       ARG  11  10.007  11.441   0.637
  102    HE   ARG  11           HE       ARG  11  11.288  13.957   1.269
  103   HH11  ARG  11          1HH1      ARG  11   8.490  12.776  -0.459
  104   HH12  ARG  11          2HH1      ARG  11   7.626  14.280  -0.280
  105   HH21  ARG  11          1HH2      ARG  11  10.151  15.843   1.468
  106   HH22  ARG  11          2HH2      ARG  11   8.557  15.972   0.786
  107    H    ARG  12           H        ARG  12  12.842   8.725   4.584
  108    HA   ARG  12           HA       ARG  12  13.536  10.274   7.057
  109    HB2  ARG  12          2HB       ARG  12  12.159   7.606   6.593
  110    HB3  ARG  12          3HB       ARG  12  12.984   7.926   8.108
  111    HG2  ARG  12          2HG       ARG  12  10.816   8.548   8.593
  112    HG3  ARG  12          3HG       ARG  12  11.647  10.072   8.335
  113    HD2  ARG  12          2HD       ARG  12   9.503  10.241   7.279
  114    HD3  ARG  12          3HD       ARG  12  10.695  10.122   5.992
  115    HE   ARG  12           HE       ARG  12   9.845   8.095   5.348
  116   HH11  ARG  12          1HH1      ARG  12   8.291   8.892   8.377
  117   HH12  ARG  12          2HH1      ARG  12   7.194   7.540   8.300
  118   HH21  ARG  12          1HH2      ARG  12   8.485   6.277   5.373
  119   HH22  ARG  12          2HH2      ARG  12   7.299   6.132   6.630
  120    H    THR  13           H        THR  13  14.693   7.312   5.345
  121    HA   THR  13           HA       THR  13  16.774   6.820   7.248
  122    HB   THR  13           HB       THR  13  17.813   5.368   5.555
  123    HG1  THR  13          1HG       THR  13  16.776   5.074   3.606
  124   HG21  THR  13          1HG2      THR  13  15.986   3.734   5.408
  125   HG22  THR  13          2HG2      THR  13  14.804   4.986   5.847
  126   HG23  THR  13          3HG2      THR  13  16.045   4.483   7.013
  127    H    ASN  14           H        ASN  14  16.753   8.938   4.418
  128    HA   ASN  14           HA       ASN  14  19.505   9.466   4.196
  129    HB2  ASN  14          2HB       ASN  14  17.024  10.995   3.525
  130    HB3  ASN  14          3HB       ASN  14  18.502  11.939   3.689
  131   HD21  ASN  14          1HD2      ASN  14  17.118   9.149   1.959
  132   HD22  ASN  14          2HD2      ASN  14  18.241   9.290   0.596
  133    HA   PRO  15           HA       PRO  15  19.711  12.853   7.510
  134    HB2  PRO  15          2HB       PRO  15  17.630  13.197   9.323
  135    HB3  PRO  15          3HB       PRO  15  17.878  14.147   7.829
  136    HG2  PRO  15          2HG       PRO  15  16.074  11.760   8.247
  137    HG3  PRO  15          3HG       PRO  15  15.705  13.295   7.404
  138    HD2  PRO  15          2HD       PRO  15  16.385  11.088   5.998
  139    HD3  PRO  15          3HD       PRO  15  17.001  12.691   5.523
  140    H    ILE  16           H        ILE  16  17.771  10.032   8.548
  141    HA   ILE  16           HA       ILE  16  18.993   9.625  11.093
  142    HB   ILE  16           HB       ILE  16  17.606   7.706   9.193
  143   HG12  ILE  16          2HG1      ILE  16  16.629   9.069  11.753
  144   HG13  ILE  16          3HG1      ILE  16  16.281   9.654  10.134
  145   HG21  ILE  16          1HG2      ILE  16  19.018   6.363  10.710
  146   HG22  ILE  16          2HG2      ILE  16  18.359   7.235  12.114
  147   HG23  ILE  16          3HG2      ILE  16  17.330   6.172  11.130
  148   HD11  ILE  16          1HD1      ILE  16  14.353   8.477  10.843
  149   HD12  ILE  16          2HD1      ILE  16  15.142   7.442   9.637
  150   HD13  ILE  16          3HD1      ILE  16  15.283   7.071  11.372
  151    H    PHE  17           H        PHE  17  20.015   8.427   7.870
  152    HA   PHE  17           HA       PHE  17  22.303   6.972   8.962
  153    HB2  PHE  17          2HB       PHE  17  21.103   6.228   6.949
  154    HB3  PHE  17          3HB       PHE  17  21.535   7.723   6.124
  155    HD1  PHE  17           HD1      PHE  17  23.120   7.354   4.451
  156    HD2  PHE  17           HD2      PHE  17  23.444   5.133   8.142
  157    HE1  PHE  17           HE1      PHE  17  25.181   6.255   3.616
  158    HE2  PHE  17           HE2      PHE  17  25.513   4.054   7.307
  159    HZ   PHE  17           HZ       PHE  17  26.384   4.608   5.042
  160    H    CYS  18           H        CYS  18  21.862  10.115   7.269
  161    HA   CYS  18           HA       CYS  18  24.590  10.804   6.989
  162    HB2  CYS  18          2HB       CYS  18  22.060  12.468   7.270
  163    HB3  CYS  18          3HB       CYS  18  23.654  13.200   7.016
  164    HG   CYS  18           HG       CYS  18  22.345  13.114   4.735
  165    H    ILE  19           H        ILE  19  22.475  11.304   9.826
  166    HA   ILE  19           HA       ILE  19  24.913  11.790  11.460
  167    HB   ILE  19           HB       ILE  19  23.611  13.437  12.842
  168   HG12  ILE  19          2HG1      ILE  19  21.875  13.747  10.346
  169   HG13  ILE  19          3HG1      ILE  19  21.332  13.034  11.864
  170   HG21  ILE  19          1HG2      ILE  19  25.502  13.969  11.290
  171   HG22  ILE  19          2HG2      ILE  19  24.315  14.343  10.023
  172   HG23  ILE  19          3HG2      ILE  19  24.378  15.306  11.513
  173   HD11  ILE  19          1HD1      ILE  19  20.559  15.291  11.802
  174   HD12  ILE  19          2HD1      ILE  19  21.841  15.203  13.027
  175   HD13  ILE  19          3HD1      ILE  19  22.170  15.919  11.429
  176    H    ARG  20           H        ARG  20  25.127  10.329  12.898
  177    HA   ARG  20           HA       ARG  20  23.141   8.521  13.881
  178    HB2  ARG  20          2HB       ARG  20  24.804   7.836  15.522
  179    HB3  ARG  20          3HB       ARG  20  25.522   8.043  13.938
  180    HG2  ARG  20          2HG       ARG  20  27.156   9.029  15.192
  181    HG3  ARG  20          3HG       ARG  20  26.195  10.448  14.837
  182    HD2  ARG  20          2HD       ARG  20  26.684  10.650  17.104
  183    HD3  ARG  20          3HD       ARG  20  25.032  10.025  17.128
  184    HE   ARG  20           HE       ARG  20  26.871   7.831  17.218
  185   HH11  ARG  20          1HH1      ARG  20  25.761  10.384  19.333
  186   HH12  ARG  20          2HH1      ARG  20  26.238   9.527  20.773
  187   HH21  ARG  20          1HH2      ARG  20  27.462   6.790  19.084
  188   HH22  ARG  20          2HH2      ARG  20  27.173   7.542  20.623
  189    H    ARG  21           H        ARG  21  23.917  11.708  14.925
  190    HA   ARG  21           HA       ARG  21  22.435  11.635  17.471
  191    HB2  ARG  21          2HB       ARG  21  24.487  13.029  17.059
  192    HB3  ARG  21          3HB       ARG  21  23.574  13.992  15.892
  193    HG2  ARG  21          2HG       ARG  21  21.985  14.651  17.708
  194    HG3  ARG  21          3HG       ARG  21  22.923  13.701  18.869
  195    HD2  ARG  21          2HD       ARG  21  23.970  16.056  17.238
  196    HD3  ARG  21          3HD       ARG  21  23.409  16.153  18.916
  197    HE   ARG  21           HE       ARG  21  25.369  14.176  18.963
  198   HH11  ARG  21          1HH1      ARG  21  25.371  17.572  18.149
  199   HH12  ARG  21          2HH1      ARG  21  27.051  17.772  18.574
  200   HH21  ARG  21          1HH2      ARG  21  27.505  14.477  19.472
  201   HH22  ARG  21          2HH2      ARG  21  28.217  16.054  19.308
  202    H    ALA  22           H        ALA  22  20.392  12.213  17.797
  203    HA   ALA  22           HA       ALA  22  18.858  13.808  15.834
  204    HB1  ALA  22          1HB       ALA  22  18.376  11.437  15.289
  205    HB2  ALA  22          2HB       ALA  22  17.890  11.146  16.975
  206    HB3  ALA  22          3HB       ALA  22  16.948  12.250  15.949
  207    H    SER  23           H        SER  23  16.660  14.353  16.867
  208    HA   SER  23           HA       SER  23  15.680  15.823  18.327
  209    HB2  SER  23          2HB       SER  23  16.196  13.473  20.162
  210    HB3  SER  23          3HB       SER  23  15.008  14.766  20.433
  211    HG   SER  23           HG       SER  23  14.080  12.912  19.424
  212    HA   PRO  24           HA       PRO  24  19.547  17.482  20.314
  213    HB2  PRO  24          2HB       PRO  24  19.574  19.978  19.190
  214    HB3  PRO  24          3HB       PRO  24  20.199  18.523  18.357
  215    HG2  PRO  24          2HG       PRO  24  17.459  19.800  18.065
  216    HG3  PRO  24          3HG       PRO  24  18.594  19.308  16.765
  217    HD2  PRO  24          2HD       PRO  24  16.538  17.714  17.553
  218    HD3  PRO  24          3HD       PRO  24  18.122  17.018  17.094
  219    H    THR  25           H        THR  25  16.257  18.623  20.177
  220    HA   THR  25           HA       THR  25  16.409  20.594  22.332
  221    HB   THR  25           HB       THR  25  13.882  20.468  22.155
  222    HG1  THR  25          1HG       THR  25  13.872  18.365  21.208
  223   HG21  THR  25          1HG2      THR  25  13.807  21.688  20.030
  224   HG22  THR  25          2HG2      THR  25  15.421  21.088  19.592
  225   HG23  THR  25          3HG2      THR  25  15.220  22.184  20.977
  Start of MODEL    5
    1    H1   SER   1           H1       SER   1   0.627  -1.827  -2.769
    2    H2   SER   1           H2       SER   1   1.446  -3.237  -2.892
    3    H3   SER   1           H3       SER   1   0.604  -2.673  -4.176
    4    HA   SER   1           HA       SER   1   2.955  -2.327  -4.499
    5    HB2  SER   1          2HB       SER   1   1.360  -0.716  -5.498
    6    HB3  SER   1          3HB       SER   1   1.475   0.294  -4.043
    7    HG   SER   1           HG       SER   1   2.891   0.887  -5.821
    8    H    LYS   2           H        LYS   2   4.820  -1.141  -3.928
    9    HA   LYS   2           HA       LYS   2   5.115  -0.308  -1.063
   10    HB2  LYS   2          2HB       LYS   2   7.420  -1.258  -1.093
   11    HB3  LYS   2          3HB       LYS   2   6.132  -2.438  -1.083
   12    HG2  LYS   2          2HG       LYS   2   7.224  -1.679  -3.785
   13    HG3  LYS   2          3HG       LYS   2   8.298  -2.571  -2.706
   14    HD2  LYS   2          2HD       LYS   2   6.755  -4.419  -2.506
   15    HD3  LYS   2          3HD       LYS   2   5.476  -3.529  -3.319
   16    HE2  LYS   2          2HE       LYS   2   6.329  -5.104  -4.879
   17    HE3  LYS   2          3HE       LYS   2   6.814  -3.496  -5.419
   18    HZ1  LYS   2          1HZ       LYS   2   8.635  -5.104  -5.565
   19    HZ2  LYS   2          2HZ       LYS   2   8.567  -5.413  -3.966
   20    HZ3  LYS   2          3HZ       LYS   2   9.032  -3.936  -4.500
   21    H    CYS   3           H        CYS   3   5.240   0.847  -4.172
   22    HA   CYS   3           HA       CYS   3   7.670   2.275  -4.291
   23    HB2  CYS   3          2HB       CYS   3   4.956   2.911  -5.534
   24    HB3  CYS   3          3HB       CYS   3   6.492   3.667  -5.994
   25    HG   CYS   3           HG       CYS   3   5.831   1.858  -7.786
   26    H    ARG   4           H        ARG   4   4.514   3.552  -3.156
   27    HA   ARG   4           HA       ARG   4   5.460   6.144  -2.343
   28    HB2  ARG   4          2HB       ARG   4   3.050   4.431  -1.674
   29    HB3  ARG   4          3HB       ARG   4   3.350   5.873  -0.710
   30    HG2  ARG   4          2HG       ARG   4   3.326   6.030  -3.742
   31    HG3  ARG   4          3HG       ARG   4   1.826   6.083  -2.806
   32    HD2  ARG   4          2HD       ARG   4   2.463   8.084  -1.652
   33    HD3  ARG   4          3HD       ARG   4   4.141   7.937  -2.155
   34    HE   ARG   4           HE       ARG   4   3.680   9.006  -4.118
   35   HH11  ARG   4          1HH1      ARG   4   0.557   8.002  -2.900
   36   HH12  ARG   4          2HH1      ARG   4  -0.298   8.893  -4.132
   37   HH21  ARG   4          1HH2      ARG   4   2.548  10.124  -5.621
   38   HH22  ARG   4          2HH2      ARG   4   0.811  10.070  -5.625
   39    H    GLN   5           H        GLN   5   5.133   3.183  -0.439
   40    HA   GLN   5           HA       GLN   5   6.175   4.210   2.025
   41    HB2  GLN   5          2HB       GLN   5   5.973   1.435   0.807
   42    HB3  GLN   5          3HB       GLN   5   6.855   1.676   2.308
   43    HG2  GLN   5          2HG       GLN   5   3.955   2.498   1.862
   44    HG3  GLN   5          3HG       GLN   5   4.473   1.023   2.675
   45   HE21  GLN   5          1HE2      GLN   5   2.959   3.558   3.678
   46   HE22  GLN   5          2HE2      GLN   5   3.904   3.989   5.101
   47    H    TRP   6           H        TRP   6   7.927   2.519  -0.622
   48    HA   TRP   6           HA       TRP   6  10.537   2.738   0.438
   49    HB2  TRP   6          2HB       TRP   6   9.952   1.306  -1.423
   50    HB3  TRP   6          3HB       TRP   6   9.520   2.683  -2.419
   51    HD1  TRP   6           HD1      TRP   6  12.742   1.640  -0.509
   52    HE1  TRP   6           HE1      TRP   6  14.762   1.957  -2.077
   53    HE3  TRP   6           HE3      TRP   6  10.292   3.392  -4.657
   54    HZ2  TRP   6           HZ2      TRP   6  15.253   2.902  -4.749
   55    HZ3  TRP   6           HZ3      TRP   6  11.573   3.996  -6.709
   56    HH2  TRP   6           HH2      TRP   6  14.045   3.775  -6.756
   57    H    GLN   7           H        GLN   7   8.951   5.033  -1.862
   58    HA   GLN   7           HA       GLN   7  11.047   6.957  -1.879
   59    HB2  GLN   7          2HB       GLN   7   8.050   7.216  -2.314
   60    HB3  GLN   7          3HB       GLN   7   9.163   8.557  -2.550
   61    HG2  GLN   7          2HG       GLN   7   9.344   5.886  -4.032
   62    HG3  GLN   7          3HG       GLN   7   8.588   7.348  -4.661
   63   HE21  GLN   7          1HE2      GLN   7  11.524   5.602  -4.752
   64   HE22  GLN   7          2HE2      GLN   7  12.521   6.975  -5.214
   65    H    SER   8           H        SER   8   8.193   6.843   0.309
   66    HA   SER   8           HA       SER   8   8.857   9.139   1.882
   67    HB2  SER   8          2HB       SER   8   6.674   8.027   1.934
   68    HB3  SER   8          3HB       SER   8   7.393   6.596   2.694
   69    HG   SER   8           HG       SER   8   6.360   8.244   4.107
   70    H    LYS   9           H        LYS   9   9.675   5.687   2.427
   71    HA   LYS   9           HA       LYS   9  11.280   5.989   4.748
   72    HB2  LYS   9          2HB       LYS   9  11.270   3.917   2.531
   73    HB3  LYS   9          3HB       LYS   9  12.443   3.869   3.847
   74    HG2  LYS   9          2HG       LYS   9  10.653   3.796   5.522
   75    HG3  LYS   9          3HG       LYS   9   9.419   3.855   4.256
   76    HD2  LYS   9          2HD       LYS   9  10.230   1.696   3.339
   77    HD3  LYS   9          3HD       LYS   9  11.559   1.698   4.501
   78    HE2  LYS   9          2HE       LYS   9  10.041   0.228   5.463
   79    HE3  LYS   9          3HE       LYS   9   9.811   1.726   6.364
   80    HZ1  LYS   9          1HZ       LYS   9   8.072   0.734   4.163
   81    HZ2  LYS   9          2HZ       LYS   9   7.813   2.144   4.955
   82    HZ3  LYS   9          3HZ       LYS   9   7.693   0.728   5.743
   83    H    ILE  10           H        ILE  10  12.405   6.151   1.319
   84    HA   ILE  10           HA       ILE  10  15.143   6.570   1.891
   85    HB   ILE  10           HB       ILE  10  13.524   7.808  -0.356
   86   HG12  ILE  10          2HG1      ILE  10  15.382   5.390  -0.536
   87   HG13  ILE  10          3HG1      ILE  10  13.690   5.205  -0.156
   88   HG21  ILE  10          1HG2      ILE  10  16.551   7.520  -0.021
   89   HG22  ILE  10          2HG2      ILE  10  15.764   7.956  -1.543
   90   HG23  ILE  10          3HG2      ILE  10  15.639   9.042  -0.162
   91   HD11  ILE  10          1HD1      ILE  10  13.547   4.993  -2.422
   92   HD12  ILE  10          2HD1      ILE  10  13.352   6.736  -2.347
   93   HD13  ILE  10          3HD1      ILE  10  14.935   6.040  -2.747
   94    H    ARG  11           H        ARG  11  12.614   9.124   1.681
   95    HA   ARG  11           HA       ARG  11  14.350  11.342   2.326
   96    HB2  ARG  11          2HB       ARG  11  11.348  10.905   2.455
   97    HB3  ARG  11          3HB       ARG  11  12.055  12.278   3.275
   98    HG2  ARG  11          2HG       ARG  11  11.518  13.250   1.339
   99    HG3  ARG  11          3HG       ARG  11  13.200  12.875   1.016
  100    HD2  ARG  11          2HD       ARG  11  10.942  11.018   0.163
  101    HD3  ARG  11          3HD       ARG  11  11.342  12.466  -0.764
  102    HE   ARG  11           HE       ARG  11  13.754  11.009  -0.388
  103   HH11  ARG  11          1HH1      ARG  11  10.756  10.767  -2.136
  104   HH12  ARG  11          2HH1      ARG  11  11.468   9.898  -3.481
  105   HH21  ARG  11          1HH2      ARG  11  14.654   9.970  -2.197
  106   HH22  ARG  11          2HH2      ARG  11  13.609   9.491  -3.500
  107    H    ARG  12           H        ARG  12  12.883   8.996   4.434
  108    HA   ARG  12           HA       ARG  12  13.609  10.437   6.940
  109    HB2  ARG  12          2HB       ARG  12  12.199   7.823   6.293
  110    HB3  ARG  12          3HB       ARG  12  12.674   8.238   7.943
  111    HG2  ARG  12          2HG       ARG  12  11.144   9.947   8.147
  112    HG3  ARG  12          3HG       ARG  12  11.176  10.357   6.436
  113    HD2  ARG  12          2HD       ARG  12   9.010   9.470   7.086
  114    HD3  ARG  12          3HD       ARG  12   9.790   8.477   5.847
  115    HE   ARG  12           HE       ARG  12  10.430   7.330   8.356
  116   HH11  ARG  12          1HH1      ARG  12   7.577   7.800   6.418
  117   HH12  ARG  12          2HH1      ARG  12   6.738   6.444   7.133
  118   HH21  ARG  12          1HH2      ARG  12   9.373   5.548   9.160
  119   HH22  ARG  12          2HH2      ARG  12   7.759   5.184   8.626
  120    H    THR  13           H        THR  13  14.650   7.471   5.260
  121    HA   THR  13           HA       THR  13  16.775   6.737   6.990
  122    HB   THR  13           HB       THR  13  16.529   6.336   3.985
  123    HG1  THR  13          1HG       THR  13  15.877   4.636   6.171
  124   HG21  THR  13          1HG2      THR  13  18.822   5.818   4.636
  125   HG22  THR  13          2HG2      THR  13  17.944   4.305   4.396
  126   HG23  THR  13          3HG2      THR  13  18.260   4.893   6.046
  127    H    ASN  14           H        ASN  14  16.751   9.115   4.313
  128    HA   ASN  14           HA       ASN  14  19.493   9.633   4.123
  129    HB2  ASN  14          2HB       ASN  14  17.023  11.208   3.542
  130    HB3  ASN  14          3HB       ASN  14  18.500  12.142   3.754
  131   HD21  ASN  14          1HD2      ASN  14  17.125   9.427   1.880
  132   HD22  ASN  14          2HD2      ASN  14  18.251   9.647   0.530
  133    HA   PRO  15           HA       PRO  15  19.745  12.793   7.655
  134    HB2  PRO  15          2HB       PRO  15  17.677  13.034   9.491
  135    HB3  PRO  15          3HB       PRO  15  17.925  14.081   8.063
  136    HG2  PRO  15          2HG       PRO  15  16.094  11.698   8.342
  137    HG3  PRO  15          3HG       PRO  15  15.747  13.283   7.587
  138    HD2  PRO  15          2HD       PRO  15  16.408  11.122   6.081
  139    HD3  PRO  15          3HD       PRO  15  16.990  12.753   5.657
  140    H    ILE  16           H        ILE  16  17.746   9.929   8.536
  141    HA   ILE  16           HA       ILE  16  18.991   9.361  11.033
  142    HB   ILE  16           HB       ILE  16  17.528   7.599   9.041
  143   HG12  ILE  16          2HG1      ILE  16  16.650   8.778  11.724
  144   HG13  ILE  16          3HG1      ILE  16  16.284   9.503  10.167
  145   HG21  ILE  16          1HG2      ILE  16  17.248   5.928  10.860
  146   HG22  ILE  16          2HG2      ILE  16  18.926   6.097  10.402
  147   HG23  ILE  16          3HG2      ILE  16  18.342   6.876  11.892
  148   HD11  ILE  16          1HD1      ILE  16  15.072   7.365   9.524
  149   HD12  ILE  16          2HD1      ILE  16  15.238   6.856  11.221
  150   HD13  ILE  16          3HD1      ILE  16  14.338   8.322  10.824
  151    H    PHE  17           H        PHE  17  20.011   8.410   7.761
  152    HA   PHE  17           HA       PHE  17  22.252   6.793   8.765
  153    HB2  PHE  17          2HB       PHE  17  20.937   6.157   6.770
  154    HB3  PHE  17          3HB       PHE  17  21.461   7.628   5.955
  155    HD1  PHE  17           HD1      PHE  17  23.254   7.411   4.451
  156    HD2  PHE  17           HD2      PHE  17  22.963   4.665   7.767
  157    HE1  PHE  17           HE1      PHE  17  25.237   6.179   3.610
  158    HE2  PHE  17           HE2      PHE  17  24.957   3.446   6.928
  159    HZ   PHE  17           HZ       PHE  17  26.096   4.199   4.849
  160    H    CYS  18           H        CYS  18  21.840  10.050   7.309
  161    HA   CYS  18           HA       CYS  18  24.657  10.626   7.109
  162    HB2  CYS  18          2HB       CYS  18  22.164  12.365   7.210
  163    HB3  CYS  18          3HB       CYS  18  23.800  13.036   7.063
  164    HG   CYS  18           HG       CYS  18  22.645  12.982   4.694
  165    H    ILE  19           H        ILE  19  22.281  11.388   9.712
  166    HA   ILE  19           HA       ILE  19  24.550  11.801  11.589
  167    HB   ILE  19           HB       ILE  19  23.460  13.722  12.620
  168   HG12  ILE  19          2HG1      ILE  19  21.852  15.084  11.132
  169   HG13  ILE  19          3HG1      ILE  19  21.438  13.572  10.348
  170   HG21  ILE  19          1HG2      ILE  19  23.990  14.202   9.668
  171   HG22  ILE  19          2HG2      ILE  19  24.171  15.355  11.002
  172   HG23  ILE  19          3HG2      ILE  19  25.245  13.954  10.903
  173   HD11  ILE  19          1HD1      ILE  19  20.543  12.717  12.500
  174   HD12  ILE  19          2HD1      ILE  19  21.160  14.159  13.340
  175   HD13  ILE  19          3HD1      ILE  19  19.856  14.299  12.146
  176    H    ARG  20           H        ARG  20  24.157  11.428  13.746
  177    HA   ARG  20           HA       ARG  20  21.689   9.843  14.435
  178    HB2  ARG  20          2HB       ARG  20  24.570   9.225  15.232
  179    HB3  ARG  20          3HB       ARG  20  23.138   8.407  15.836
  180    HG2  ARG  20          2HG       ARG  20  23.817   6.925  14.270
  181    HG3  ARG  20          3HG       ARG  20  22.606   7.827  13.360
  182    HD2  ARG  20          2HD       ARG  20  24.387   9.069  12.197
  183    HD3  ARG  20          3HD       ARG  20  25.615   8.342  13.251
  184    HE   ARG  20           HE       ARG  20  24.169   6.259  11.950
  185   HH11  ARG  20          1HH1      ARG  20  26.436   8.756  11.029
  186   HH12  ARG  20          2HH1      ARG  20  27.046   7.832   9.686
  187   HH21  ARG  20          1HH2      ARG  20  25.033   5.105  10.267
  188   HH22  ARG  20          2HH2      ARG  20  26.266   5.823   9.272
  189    H    ARG  21           H        ARG  21  22.890  12.678  15.022
  190    HA   ARG  21           HA       ARG  21  23.396  12.898  17.828
  191    HB2  ARG  21          2HB       ARG  21  22.402  15.083  15.938
  192    HB3  ARG  21          3HB       ARG  21  23.152  15.308  17.520
  193    HG2  ARG  21          2HG       ARG  21  25.222  14.103  16.581
  194    HG3  ARG  21          3HG       ARG  21  24.447  14.208  14.995
  195    HD2  ARG  21          2HD       ARG  21  25.915  16.052  15.110
  196    HD3  ARG  21          3HD       ARG  21  24.288  16.721  15.329
  197    HE   ARG  21           HE       ARG  21  25.347  16.150  17.905
  198   HH11  ARG  21          1HH1      ARG  21  26.035  18.419  15.341
  199   HH12  ARG  21          2HH1      ARG  21  26.791  19.558  16.423
  200   HH21  ARG  21          1HH2      ARG  21  26.323  17.612  19.230
  201   HH22  ARG  21          2HH2      ARG  21  26.946  19.099  18.577
  202    H    ALA  22           H        ALA  22  20.431  13.624  16.052
  203    HA   ALA  22           HA       ALA  22  18.322  14.183  16.653
  204    HB1  ALA  22          1HB       ALA  22  17.176  12.517  18.010
  205    HB2  ALA  22          2HB       ALA  22  18.359  11.736  16.949
  206    HB3  ALA  22          3HB       ALA  22  18.722  11.949  18.677
  207    H    SER  23           H        SER  23  20.396  15.757  18.070
  208    HA   SER  23           HA       SER  23  19.714  16.331  20.749
  209    HB2  SER  23          2HB       SER  23  20.948  18.166  18.649
  210    HB3  SER  23          3HB       SER  23  21.074  18.365  20.403
  211    HG   SER  23           HG       SER  23  22.228  16.399  20.495
  212    HA   PRO  24           HA       PRO  24  16.144  19.020  20.406
  213    HB2  PRO  24          2HB       PRO  24  16.485  20.763  22.505
  214    HB3  PRO  24          3HB       PRO  24  16.006  19.049  22.699
  215    HG2  PRO  24          2HG       PRO  24  18.780  20.249  22.948
  216    HG3  PRO  24          3HG       PRO  24  17.962  19.103  24.059
  217    HD2  PRO  24          2HD       PRO  24  19.742  18.261  22.187
  218    HD3  PRO  24          3HD       PRO  24  18.292  17.292  22.581
  219    H    THR  25           H        THR  25  15.610  20.792  19.274
  220    HA   THR  25           HA       THR  25  17.729  22.594  18.236
  221    HB   THR  25           HB       THR  25  15.967  23.179  16.532
  222    HG1  THR  25          1HG       THR  25  14.199  22.391  17.799
  223   HG21  THR  25          1HG2      THR  25  16.266  21.110  15.245
  224   HG22  THR  25          2HG2      THR  25  16.785  20.244  16.707
  225   HG23  THR  25          3HG2      THR  25  17.774  21.567  16.054
  Start of MODEL    6
    1    H1   SER   1           H1       SER   1   0.623  -1.070  -2.884
    2    H2   SER   1           H2       SER   1   1.362  -2.530  -2.761
    3    H3   SER   1           H3       SER   1   0.485  -2.161  -4.096
    4    HA   SER   1           HA       SER   1   2.837  -2.040  -4.568
    5    HB2  SER   1          2HB       SER   1   1.414   0.650  -4.661
    6    HB3  SER   1          3HB       SER   1   2.811   0.157  -5.642
    7    HG   SER   1           HG       SER   1   0.812  -0.147  -6.743
    8    H    LYS   2           H        LYS   2   4.743  -1.892  -3.531
    9    HA   LYS   2           HA       LYS   2   5.061  -0.431  -1.015
   10    HB2  LYS   2          2HB       LYS   2   6.808  -2.229  -2.709
   11    HB3  LYS   2          3HB       LYS   2   7.585  -1.139  -1.582
   12    HG2  LYS   2          2HG       LYS   2   7.338  -3.159  -0.417
   13    HG3  LYS   2          3HG       LYS   2   6.219  -2.004   0.286
   14    HD2  LYS   2          2HD       LYS   2   5.149  -4.135   0.202
   15    HD3  LYS   2          3HD       LYS   2   4.341  -3.109  -0.986
   16    HE2  LYS   2          2HE       LYS   2   5.641  -4.181  -2.809
   17    HE3  LYS   2          3HE       LYS   2   6.568  -5.106  -1.625
   18    HZ1  LYS   2          1HZ       LYS   2   4.775  -6.435  -2.582
   19    HZ2  LYS   2          2HZ       LYS   2   3.639  -5.390  -2.052
   20    HZ3  LYS   2          3HZ       LYS   2   4.527  -6.248  -0.983
   21    H    CYS   3           H        CYS   3   5.463   0.604  -4.258
   22    HA   CYS   3           HA       CYS   3   7.678   2.177  -4.289
   23    HB2  CYS   3          2HB       CYS   3   4.990   2.871  -5.552
   24    HB3  CYS   3          3HB       CYS   3   6.574   3.485  -6.057
   25    HG   CYS   3           HG       CYS   3   5.771   1.667  -7.771
   26    H    ARG   4           H        ARG   4   4.523   3.391  -3.087
   27    HA   ARG   4           HA       ARG   4   5.479   6.030  -2.403
   28    HB2  ARG   4          2HB       ARG   4   3.055   4.373  -1.632
   29    HB3  ARG   4          3HB       ARG   4   3.379   5.872  -0.766
   30    HG2  ARG   4          2HG       ARG   4   3.256   5.782  -3.802
   31    HG3  ARG   4          3HG       ARG   4   1.819   6.033  -2.798
   32    HD2  ARG   4          2HD       ARG   4   2.683   8.058  -1.856
   33    HD3  ARG   4          3HD       ARG   4   4.297   7.774  -2.520
   34    HE   ARG   4           HE       ARG   4   2.343   7.926  -4.636
   35   HH11  ARG   4          1HH1      ARG   4   4.121  10.021  -2.472
   36   HH12  ARG   4          2HH1      ARG   4   4.145  11.340  -3.610
   37   HH21  ARG   4          1HH2      ARG   4   2.407   9.637  -6.049
   38   HH22  ARG   4          2HH2      ARG   4   3.188  11.120  -5.580
   39    H    GLN   5           H        GLN   5   5.144   3.141  -0.371
   40    HA   GLN   5           HA       GLN   5   6.194   4.315   2.036
   41    HB2  GLN   5          2HB       GLN   5   6.186   1.417   1.090
   42    HB3  GLN   5          3HB       GLN   5   6.684   1.951   2.699
   43    HG2  GLN   5          2HG       GLN   5   4.430   2.967   3.047
   44    HG3  GLN   5          3HG       GLN   5   3.900   2.300   1.500
   45   HE21  GLN   5          1HE2      GLN   5   3.359   1.726   4.622
   46   HE22  GLN   5          2HE2      GLN   5   3.389  -0.035   4.611
   47    H    TRP   6           H        TRP   6   7.839   2.580  -0.633
   48    HA   TRP   6           HA       TRP   6  10.489   2.687   0.397
   49    HB2  TRP   6          2HB       TRP   6   9.815   1.289  -1.474
   50    HB3  TRP   6          3HB       TRP   6   9.446   2.697  -2.451
   51    HD1  TRP   6           HD1      TRP   6  12.598   1.421  -0.575
   52    HE1  TRP   6           HE1      TRP   6  14.638   1.675  -2.129
   53    HE3  TRP   6           HE3      TRP   6  10.288   3.557  -4.625
   54    HZ2  TRP   6           HZ2      TRP   6  15.187   2.644  -4.780
   55    HZ3  TRP   6           HZ3      TRP   6  11.606   4.147  -6.652
   56    HH2  TRP   6           HH2      TRP   6  14.046   3.698  -6.741
   57    H    GLN   7           H        GLN   7   8.856   5.046  -1.787
   58    HA   GLN   7           HA       GLN   7  10.988   6.932  -1.874
   59    HB2  GLN   7          2HB       GLN   7   7.981   7.248  -2.178
   60    HB3  GLN   7          3HB       GLN   7   9.104   8.579  -2.437
   61    HG2  GLN   7          2HG       GLN   7   9.373   5.963  -3.978
   62    HG3  GLN   7          3HG       GLN   7   8.298   7.254  -4.486
   63   HE21  GLN   7          1HE2      GLN   7   9.235   8.445  -6.148
   64   HE22  GLN   7          2HE2      GLN   7  10.949   8.850  -6.181
   65    H    SER   8           H        SER   8   8.186   6.864   0.439
   66    HA   SER   8           HA       SER   8   9.115   9.180   1.881
   67    HB2  SER   8          2HB       SER   8   7.502   8.604   3.584
   68    HB3  SER   8          3HB       SER   8   6.797   8.467   1.970
   69    HG   SER   8           HG       SER   8   7.439   6.444   3.823
   70    H    LYS   9           H        LYS   9   9.708   5.692   2.379
   71    HA   LYS   9           HA       LYS   9  11.322   5.896   4.734
   72    HB2  LYS   9          2HB       LYS   9  11.259   3.871   2.477
   73    HB3  LYS   9          3HB       LYS   9  12.470   3.789   3.756
   74    HG2  LYS   9          2HG       LYS   9  10.759   3.668   5.488
   75    HG3  LYS   9          3HG       LYS   9   9.469   3.821   4.290
   76    HD2  LYS   9          2HD       LYS   9  10.248   1.700   3.210
   77    HD3  LYS   9          3HD       LYS   9  11.510   1.556   4.455
   78    HE2  LYS   9          2HE       LYS   9   9.707   1.559   6.210
   79    HE3  LYS   9          3HE       LYS   9   8.493   1.580   4.923
   80    HZ1  LYS   9          1HZ       LYS   9   8.910  -0.682   5.694
   81    HZ2  LYS   9          2HZ       LYS   9  10.501  -0.572   5.358
   82    HZ3  LYS   9          3HZ       LYS   9   9.406  -0.559   4.145
   83    H    ILE  10           H        ILE  10  12.475   5.931   1.307
   84    HA   ILE  10           HA       ILE  10  15.197   6.393   1.799
   85    HB   ILE  10           HB       ILE  10  13.436   7.517  -0.408
   86   HG12  ILE  10          2HG1      ILE  10  15.593   5.391  -0.658
   87   HG13  ILE  10          3HG1      ILE  10  13.979   4.943  -0.136
   88   HG21  ILE  10          1HG2      ILE  10  15.608   7.961  -1.647
   89   HG22  ILE  10          2HG2      ILE  10  15.373   9.020  -0.276
   90   HG23  ILE  10          3HG2      ILE  10  16.482   7.632  -0.146
   91   HD11  ILE  10          1HD1      ILE  10  12.974   5.629  -2.190
   92   HD12  ILE  10          2HD1      ILE  10  14.432   6.480  -2.730
   93   HD13  ILE  10          3HD1      ILE  10  14.441   4.725  -2.617
   94    H    ARG  11           H        ARG  11  12.724   8.961   1.508
   95    HA   ARG  11           HA       ARG  11  14.494  11.128   2.089
   96    HB2  ARG  11          2HB       ARG  11  12.310  11.235   0.910
   97    HB3  ARG  11          3HB       ARG  11  11.466  11.009   2.447
   98    HG2  ARG  11          2HG       ARG  11  12.265  13.118   3.295
   99    HG3  ARG  11          3HG       ARG  11  13.445  13.289   1.989
  100    HD2  ARG  11          2HD       ARG  11  10.425  13.269   1.581
  101    HD3  ARG  11          3HD       ARG  11  11.376  14.737   1.768
  102    HE   ARG  11           HE       ARG  11  11.227  13.004  -0.594
  103   HH11  ARG  11          1HH1      ARG  11  13.137  15.542   0.871
  104   HH12  ARG  11          2HH1      ARG  11  13.913  15.951  -0.635
  105   HH21  ARG  11          1HH2      ARG  11  12.255  13.555  -2.469
  106   HH22  ARG  11          2HH2      ARG  11  13.418  14.848  -2.473
  107    H    ARG  12           H        ARG  12  12.807   9.027   4.307
  108    HA   ARG  12           HA       ARG  12  13.510  10.656   6.691
  109    HB2  ARG  12          2HB       ARG  12  11.321   9.496   6.441
  110    HB3  ARG  12          3HB       ARG  12  12.147   7.934   6.494
  111    HG2  ARG  12          2HG       ARG  12  12.837   8.294   8.789
  112    HG3  ARG  12          3HG       ARG  12  12.417  10.011   8.709
  113    HD2  ARG  12          2HD       ARG  12  10.730   8.861   9.986
  114    HD3  ARG  12          3HD       ARG  12  10.034   9.449   8.469
  115    HE   ARG  12           HE       ARG  12  10.950   6.702   8.238
  116   HH11  ARG  12          1HH1      ARG  12   8.260   8.548   9.488
  117   HH12  ARG  12          2HH1      ARG  12   7.155   7.207   9.367
  118   HH21  ARG  12          1HH2      ARG  12   9.502   5.022   8.111
  119   HH22  ARG  12          2HH2      ARG  12   7.852   5.264   8.606
  120    H    THR  13           H        THR  13  14.572   7.612   5.215
  121    HA   THR  13           HA       THR  13  16.551   6.861   7.136
  122    HB   THR  13           HB       THR  13  16.396   6.350   4.140
  123    HG1  THR  13          1HG       THR  13  15.774   4.696   6.368
  124   HG21  THR  13          1HG2      THR  13  17.830   4.354   4.620
  125   HG22  THR  13          2HG2      THR  13  18.141   5.002   6.249
  126   HG23  THR  13          3HG2      THR  13  18.689   5.882   4.806
  127    H    ASN  14           H        ASN  14  16.726   9.092   4.359
  128    HA   ASN  14           HA       ASN  14  19.455   9.555   4.203
  129    HB2  ASN  14          2HB       ASN  14  17.024  11.159   3.560
  130    HB3  ASN  14          3HB       ASN  14  18.505  12.084   3.771
  131   HD21  ASN  14          1HD2      ASN  14  17.127   9.347   1.915
  132   HD22  ASN  14          2HD2      ASN  14  18.263   9.559   0.577
  133    HA   PRO  15           HA       PRO  15  19.776  12.847   7.614
  134    HB2  PRO  15          2HB       PRO  15  17.730  13.207   9.447
  135    HB3  PRO  15          3HB       PRO  15  17.951  14.163   7.952
  136    HG2  PRO  15          2HG       PRO  15  16.146  11.777   8.392
  137    HG3  PRO  15          3HG       PRO  15  15.757  13.328   7.585
  138    HD2  PRO  15          2HD       PRO  15  16.401  11.135   6.136
  139    HD3  PRO  15          3HD       PRO  15  16.991  12.747   5.655
  140    H    ILE  16           H        ILE  16  17.762  10.046   8.616
  141    HA   ILE  16           HA       ILE  16  18.978   9.548  11.138
  142    HB   ILE  16           HB       ILE  16  17.607   7.702   9.151
  143   HG12  ILE  16          2HG1      ILE  16  16.669   8.925  11.793
  144   HG13  ILE  16          3HG1      ILE  16  16.276   9.568  10.204
  145   HG21  ILE  16          1HG2      ILE  16  19.066   6.291  10.558
  146   HG22  ILE  16          2HG2      ILE  16  18.414   7.059  12.025
  147   HG23  ILE  16          3HG2      ILE  16  17.389   6.046  10.987
  148   HD11  ILE  16          1HD1      ILE  16  15.351   6.915  11.357
  149   HD12  ILE  16          2HD1      ILE  16  14.383   8.332  10.934
  150   HD13  ILE  16          3HD1      ILE  16  15.146   7.374   9.648
  151    H    PHE  17           H        PHE  17  19.908   8.278   7.925
  152    HA   PHE  17           HA       PHE  17  22.187   6.783   8.867
  153    HB2  PHE  17          2HB       PHE  17  20.953   6.276   6.797
  154    HB3  PHE  17          3HB       PHE  17  21.437   7.820   6.109
  155    HD1  PHE  17           HD1      PHE  17  23.042   7.577   4.422
  156    HD2  PHE  17           HD2      PHE  17  23.214   4.948   7.844
  157    HE1  PHE  17           HE1      PHE  17  25.048   6.464   3.475
  158    HE2  PHE  17           HE2      PHE  17  25.229   3.855   6.899
  159    HZ   PHE  17           HZ       PHE  17  26.149   4.607   4.713
  160    H    CYS  18           H        CYS  18  21.888  10.051   7.376
  161    HA   CYS  18           HA       CYS  18  24.683  10.627   7.320
  162    HB2  CYS  18          2HB       CYS  18  22.198  12.382   7.340
  163    HB3  CYS  18          3HB       CYS  18  23.839  13.038   7.202
  164    HG   CYS  18           HG       CYS  18  22.707  12.934   4.819
  165    H    ILE  19           H        ILE  19  22.285  11.301   9.903
  166    HA   ILE  19           HA       ILE  19  24.524  11.889  11.781
  167    HB   ILE  19           HB       ILE  19  23.099  13.688  12.801
  168   HG12  ILE  19          2HG1      ILE  19  21.743  13.866  10.071
  169   HG13  ILE  19          3HG1      ILE  19  20.963  13.163  11.483
  170   HG21  ILE  19          1HG2      ILE  19  24.187  14.261  10.015
  171   HG22  ILE  19          2HG2      ILE  19  24.056  15.399  11.371
  172   HG23  ILE  19          3HG2      ILE  19  25.181  14.045  11.471
  173   HD11  ILE  19          1HD1      ILE  19  20.214  15.422  11.276
  174   HD12  ILE  19          2HD1      ILE  19  21.243  15.301  12.716
  175   HD13  ILE  19          3HD1      ILE  19  21.871  16.045  11.223
  176    H    ARG  20           H        ARG  20  24.502  10.253  13.101
  177    HA   ARG  20           HA       ARG  20  22.348   8.701  14.048
  178    HB2  ARG  20          2HB       ARG  20  24.983   8.509  14.289
  179    HB3  ARG  20          3HB       ARG  20  24.731   9.335  15.813
  180    HG2  ARG  20          2HG       ARG  20  23.658   6.618  14.940
  181    HG3  ARG  20          3HG       ARG  20  24.900   6.956  16.147
  182    HD2  ARG  20          2HD       ARG  20  23.072   8.181  17.475
  183    HD3  ARG  20          3HD       ARG  20  21.919   7.434  16.340
  184    HE   ARG  20           HE       ARG  20  23.602   5.401  17.420
  185   HH11  ARG  20          1HH1      ARG  20  20.959   7.454  18.426
  186   HH12  ARG  20          2HH1      ARG  20  20.437   6.347  19.668
  187   HH21  ARG  20          1HH2      ARG  20  22.889   4.016  19.012
  188   HH22  ARG  20          2HH2      ARG  20  21.508   4.444  19.976
  189    H    ARG  21           H        ARG  21  23.497  11.776  15.288
  190    HA   ARG  21           HA       ARG  21  21.885  12.031  17.666
  191    HB2  ARG  21          2HB       ARG  21  23.204  14.015  15.778
  192    HB3  ARG  21          3HB       ARG  21  22.103  14.581  17.015
  193    HG2  ARG  21          2HG       ARG  21  24.295  14.822  17.829
  194    HG3  ARG  21          3HG       ARG  21  23.479  13.613  18.802
  195    HD2  ARG  21          2HD       ARG  21  25.303  12.805  16.507
  196    HD3  ARG  21          3HD       ARG  21  25.964  13.310  18.067
  197    HE   ARG  21           HE       ARG  21  23.986  11.326  18.562
  198   HH11  ARG  21          1HH1      ARG  21  27.242  11.533  17.313
  199   HH12  ARG  21          2HH1      ARG  21  27.668   9.944  17.886
  200   HH21  ARG  21          1HH2      ARG  21  24.597   9.324  19.314
  201   HH22  ARG  21          2HH2      ARG  21  26.191   8.728  18.970
  202    H    ALA  22           H        ALA  22  20.930  12.351  14.324
  203    HA   ALA  22           HA       ALA  22  19.114  13.131  13.249
  204    HB1  ALA  22          1HB       ALA  22  17.040  12.073  13.953
  205    HB2  ALA  22          2HB       ALA  22  18.406  10.968  14.185
  206    HB3  ALA  22          3HB       ALA  22  17.692  11.806  15.584
  207    H    SER  23           H        SER  23  20.225  15.182  14.934
  208    HA   SER  23           HA       SER  23  17.903  17.029  15.227
  209    HB2  SER  23          2HB       SER  23  20.149  16.563  17.237
  210    HB3  SER  23          3HB       SER  23  19.063  17.953  17.292
  211    HG   SER  23           HG       SER  23  17.303  16.517  17.541
  212    HA   PRO  24           HA       PRO  24  20.495  19.794  12.967
  213    HB2  PRO  24          2HB       PRO  24  19.759  22.293  13.841
  214    HB3  PRO  24          3HB       PRO  24  18.704  21.238  12.854
  215    HG2  PRO  24          2HG       PRO  24  18.702  21.571  15.870
  216    HG3  PRO  24          3HG       PRO  24  17.303  21.636  14.750
  217    HD2  PRO  24          2HD       PRO  24  17.917  19.380  16.114
  218    HD3  PRO  24          3HD       PRO  24  17.346  19.292  14.422
  219    H    THR  25           H        THR  25  22.323  21.136  13.009
  220    HA   THR  25           HA       THR  25  24.113  20.922  15.303
  221    HB   THR  25           HB       THR  25  25.659  22.229  13.752
  222    HG1  THR  25          1HG       THR  25  25.017  22.279  11.588
  223   HG21  THR  25          1HG2      THR  25  26.101  20.272  12.332
  224   HG22  THR  25          2HG2      THR  25  24.506  19.593  12.727
  225   HG23  THR  25          3HG2      THR  25  25.743  19.767  13.991
  Start of MODEL    7
    1    H1   SER   1           H1       SER   1   0.387  -0.727  -3.307
    2    H2   SER   1           H2       SER   1   0.671  -2.268  -2.820
    3    H3   SER   1           H3       SER   1   0.181  -1.969  -4.359
    4    HA   SER   1           HA       SER   1   2.535  -2.472  -4.289
    5    HB2  SER   1          2HB       SER   1   3.297  -0.529  -5.593
    6    HB3  SER   1          3HB       SER   1   1.662  -1.002  -6.065
    7    HG   SER   1           HG       SER   1   1.814   1.253  -5.776
    8    H    LYS   2           H        LYS   2   4.701  -1.222  -3.960
    9    HA   LYS   2           HA       LYS   2   4.833  -0.096  -1.179
   10    HB2  LYS   2          2HB       LYS   2   7.098  -1.055  -1.045
   11    HB3  LYS   2          3HB       LYS   2   5.830  -2.250  -1.166
   12    HG2  LYS   2          2HG       LYS   2   7.108  -1.443  -3.768
   13    HG3  LYS   2          3HG       LYS   2   8.144  -2.284  -2.613
   14    HD2  LYS   2          2HD       LYS   2   6.616  -4.168  -2.475
   15    HD3  LYS   2          3HD       LYS   2   5.446  -3.364  -3.533
   16    HE2  LYS   2          2HE       LYS   2   7.111  -3.357  -5.381
   17    HE3  LYS   2          3HE       LYS   2   8.296  -4.131  -4.324
   18    HZ1  LYS   2          1HZ       LYS   2   6.814  -6.055  -4.167
   19    HZ2  LYS   2          2HZ       LYS   2   7.160  -5.752  -5.731
   20    HZ3  LYS   2          3HZ       LYS   2   5.702  -5.340  -5.129
   21    H    CYS   3           H        CYS   3   4.993   1.044  -4.227
   22    HA   CYS   3           HA       CYS   3   7.419   2.367  -4.513
   23    HB2  CYS   3          2HB       CYS   3   4.667   3.238  -5.508
   24    HB3  CYS   3          3HB       CYS   3   6.228   3.790  -6.143
   25    HG   CYS   3           HG       CYS   3   5.192   2.052  -7.810
   26    H    ARG   4           H        ARG   4   4.434   3.969  -3.267
   27    HA   ARG   4           HA       ARG   4   5.762   6.390  -2.432
   28    HB2  ARG   4          2HB       ARG   4   3.109   5.107  -1.695
   29    HB3  ARG   4          3HB       ARG   4   3.717   6.501  -0.795
   30    HG2  ARG   4          2HG       ARG   4   3.951   7.785  -2.911
   31    HG3  ARG   4          3HG       ARG   4   3.204   6.438  -3.797
   32    HD2  ARG   4          2HD       ARG   4   1.138   6.687  -2.519
   33    HD3  ARG   4          3HD       ARG   4   1.915   7.850  -1.427
   34    HE   ARG   4           HE       ARG   4   1.922   8.668  -4.242
   35   HH11  ARG   4          1HH1      ARG   4   0.054   8.857  -1.292
   36   HH12  ARG   4          2HH1      ARG   4  -0.741  10.331  -1.776
   37   HH21  ARG   4          1HH2      ARG   4   0.884  10.542  -4.806
   38   HH22  ARG   4          2HH2      ARG   4  -0.282  11.248  -3.726
   39    H    GLN   5           H        GLN   5   5.049   3.440  -0.575
   40    HA   GLN   5           HA       GLN   5   6.028   4.363   1.916
   41    HB2  GLN   5          2HB       GLN   5   4.694   2.239   1.442
   42    HB3  GLN   5          3HB       GLN   5   6.192   1.502   0.884
   43    HG2  GLN   5          2HG       GLN   5   5.857   0.799   3.131
   44    HG3  GLN   5          3HG       GLN   5   7.194   1.938   3.168
   45   HE21  GLN   5          1HE2      GLN   5   6.182   1.548   5.603
   46   HE22  GLN   5          2HE2      GLN   5   5.082   2.849   6.046
   47    H    TRP   6           H        TRP   6   7.819   2.657  -0.673
   48    HA   TRP   6           HA       TRP   6  10.414   2.724   0.502
   49    HB2  TRP   6          2HB       TRP   6   9.826   1.296  -1.366
   50    HB3  TRP   6          3HB       TRP   6   9.472   2.683  -2.381
   51    HD1  TRP   6           HD1      TRP   6  12.584   1.464  -0.396
   52    HE1  TRP   6           HE1      TRP   6  14.665   1.721  -1.895
   53    HE3  TRP   6           HE3      TRP   6  10.366   3.510  -4.543
   54    HZ2  TRP   6           HZ2      TRP   6  15.277   2.653  -4.546
   55    HZ3  TRP   6           HZ3      TRP   6  11.733   4.080  -6.543
   56    HH2  TRP   6           HH2      TRP   6  14.178   3.656  -6.556
   57    H    GLN   7           H        GLN   7   8.938   5.061  -1.821
   58    HA   GLN   7           HA       GLN   7  11.115   6.894  -1.886
   59    HB2  GLN   7          2HB       GLN   7   8.124   7.289  -2.260
   60    HB3  GLN   7          3HB       GLN   7   9.291   8.575  -2.540
   61    HG2  GLN   7          2HG       GLN   7   9.482   5.898  -3.993
   62    HG3  GLN   7          3HG       GLN   7   8.479   7.224  -4.560
   63   HE21  GLN   7          1HE2      GLN   7   9.775   7.303  -6.544
   64   HE22  GLN   7          2HE2      GLN   7  11.356   8.076  -6.475
   65    H    SER   8           H        SER   8   8.232   6.973   0.285
   66    HA   SER   8           HA       SER   8   9.119   9.203   1.853
   67    HB2  SER   8          2HB       SER   8   7.275   6.889   2.556
   68    HB3  SER   8          3HB       SER   8   7.511   8.331   3.561
   69    HG   SER   8           HG       SER   8   6.693   9.613   1.898
   70    H    LYS   9           H        LYS   9   9.738   5.671   2.281
   71    HA   LYS   9           HA       LYS   9  11.243   5.905   4.721
   72    HB2  LYS   9          2HB       LYS   9  11.158   3.855   2.501
   73    HB3  LYS   9          3HB       LYS   9  12.469   3.809   3.682
   74    HG2  LYS   9          2HG       LYS   9  10.889   3.729   5.538
   75    HG3  LYS   9          3HG       LYS   9   9.514   3.804   4.423
   76    HD2  LYS   9          2HD       LYS   9  10.127   1.673   3.421
   77    HD3  LYS   9          3HD       LYS   9  11.621   1.589   4.360
   78    HE2  LYS   9          2HE       LYS   9   8.832   1.651   5.597
   79    HE3  LYS   9          3HE       LYS   9   9.693   0.160   5.200
   80    HZ1  LYS   9          1HZ       LYS   9  10.665   2.206   7.123
   81    HZ2  LYS   9          2HZ       LYS   9  11.464   0.836   6.727
   82    HZ3  LYS   9          3HZ       LYS   9  10.040   0.753   7.515
   83    H    ILE  10           H        ILE  10  12.491   5.968   1.354
   84    HA   ILE  10           HA       ILE  10  15.194   6.496   1.891
   85    HB   ILE  10           HB       ILE  10  13.437   7.568  -0.342
   86   HG12  ILE  10          2HG1      ILE  10  15.607   5.458  -0.558
   87   HG13  ILE  10          3HG1      ILE  10  13.996   4.994  -0.042
   88   HG21  ILE  10          1HG2      ILE  10  16.475   7.701  -0.067
   89   HG22  ILE  10          2HG2      ILE  10  15.602   8.013  -1.573
   90   HG23  ILE  10          3HG2      ILE  10  15.361   9.084  -0.208
   91   HD11  ILE  10          1HD1      ILE  10  14.279   6.593  -2.604
   92   HD12  ILE  10          2HD1      ILE  10  14.615   4.859  -2.574
   93   HD13  ILE  10          3HD1      ILE  10  13.013   5.462  -2.102
   94    H    ARG  11           H        ARG  11  12.590   8.925   1.739
   95    HA   ARG  11           HA       ARG  11  14.230  11.216   2.286
   96    HB2  ARG  11          2HB       ARG  11  11.243  10.722   2.586
   97    HB3  ARG  11          3HB       ARG  11  12.001  12.297   2.854
   98    HG2  ARG  11          2HG       ARG  11  12.834  12.374   0.559
   99    HG3  ARG  11          3HG       ARG  11  12.274  10.732   0.247
  100    HD2  ARG  11          2HD       ARG  11  10.723  12.280  -0.749
  101    HD3  ARG  11          3HD       ARG  11   9.937  11.434   0.596
  102    HE   ARG  11           HE       ARG  11  11.132  14.003   1.351
  103   HH11  ARG  11          1HH1      ARG  11   8.210  12.642   0.005
  104   HH12  ARG  11          2HH1      ARG  11   7.226  13.975   0.549
  105   HH21  ARG  11          1HH2      ARG  11   9.842  15.665   2.023
  106   HH22  ARG  11          2HH2      ARG  11   8.142  15.650   1.653
  107    H    ARG  12           H        ARG  12  12.819   8.959   4.575
  108    HA   ARG  12           HA       ARG  12  13.748  10.617   6.905
  109    HB2  ARG  12          2HB       ARG  12  12.159   8.034   6.698
  110    HB3  ARG  12          3HB       ARG  12  13.027   8.444   8.167
  111    HG2  ARG  12          2HG       ARG  12  10.903   9.251   8.597
  112    HG3  ARG  12          3HG       ARG  12  11.845  10.682   8.209
  113    HD2  ARG  12          2HD       ARG  12   9.687  10.893   7.157
  114    HD3  ARG  12          3HD       ARG  12  10.873  10.633   5.886
  115    HE   ARG  12           HE       ARG  12   9.965   8.569   5.400
  116   HH11  ARG  12          1HH1      ARG  12   8.330   9.736   8.267
  117   HH12  ARG  12          2HH1      ARG  12   7.182   8.425   8.271
  118   HH21  ARG  12          1HH2      ARG  12   8.554   6.835   5.548
  119   HH22  ARG  12          2HH2      ARG  12   7.291   6.857   6.738
  120    H    THR  13           H        THR  13  14.601   7.559   5.290
  121    HA   THR  13           HA       THR  13  16.725   6.789   6.972
  122    HB   THR  13           HB       THR  13  16.393   6.328   3.987
  123    HG1  THR  13          1HG       THR  13  15.553   4.360   4.738
  124   HG21  THR  13          1HG2      THR  13  17.799   4.293   4.394
  125   HG22  THR  13          2HG2      THR  13  18.161   4.898   6.028
  126   HG23  THR  13          3HG2      THR  13  18.713   5.789   4.591
  127    H    ASN  14           H        ASN  14  16.810   9.119   4.254
  128    HA   ASN  14           HA       ASN  14  19.580   9.527   4.093
  129    HB2  ASN  14          2HB       ASN  14  17.177  11.198   3.453
  130    HB3  ASN  14          3HB       ASN  14  18.716  12.043   3.610
  131   HD21  ASN  14          1HD2      ASN  14  17.091   9.414   1.822
  132   HD22  ASN  14          2HD2      ASN  14  18.223   9.499   0.464
  133    HA   PRO  15           HA       PRO  15  19.879  12.791   7.518
  134    HB2  PRO  15          2HB       PRO  15  17.783  13.194   9.296
  135    HB3  PRO  15          3HB       PRO  15  18.106  14.168   7.832
  136    HG2  PRO  15          2HG       PRO  15  16.173  11.871   8.158
  137    HG3  PRO  15          3HG       PRO  15  15.906  13.441   7.342
  138    HD2  PRO  15          2HD       PRO  15  16.500  11.220   5.910
  139    HD3  PRO  15          3HD       PRO  15  17.186  12.803   5.466
  140    H    ILE  16           H        ILE  16  17.778  10.026   8.450
  141    HA   ILE  16           HA       ILE  16  18.953   9.519  11.003
  142    HB   ILE  16           HB       ILE  16  17.448   7.746   9.053
  143   HG12  ILE  16          2HG1      ILE  16  16.606   9.046  11.693
  144   HG13  ILE  16          3HG1      ILE  16  16.266   9.723  10.108
  145   HG21  ILE  16          1HG2      ILE  16  18.227   7.077  11.927
  146   HG22  ILE  16          2HG2      ILE  16  17.101   6.139  10.920
  147   HG23  ILE  16          3HG2      ILE  16  18.786   6.235  10.463
  148   HD11  ILE  16          1HD1      ILE  16  15.132   7.155  11.262
  149   HD12  ILE  16          2HD1      ILE  16  14.279   8.633  10.803
  150   HD13  ILE  16          3HD1      ILE  16  14.987   7.602   9.545
  151    H    PHE  17           H        PHE  17  19.964   8.389   7.777
  152    HA   PHE  17           HA       PHE  17  22.116   6.702   8.792
  153    HB2  PHE  17          2HB       PHE  17  20.944   6.292   6.655
  154    HB3  PHE  17          3HB       PHE  17  21.561   7.809   6.013
  155    HD1  PHE  17           HD1      PHE  17  23.712   7.878   4.961
  156    HD2  PHE  17           HD2      PHE  17  22.604   4.470   7.367
  157    HE1  PHE  17           HE1      PHE  17  25.734   6.663   4.179
  158    HE2  PHE  17           HE2      PHE  17  24.631   3.263   6.587
  159    HZ   PHE  17           HZ       PHE  17  26.197   4.356   4.991
  160    H    CYS  18           H        CYS  18  21.983   9.950   7.238
  161    HA   CYS  18           HA       CYS  18  24.776  10.433   7.246
  162    HB2  CYS  18          2HB       CYS  18  22.368  12.292   7.185
  163    HB3  CYS  18          3HB       CYS  18  24.041  12.860   7.015
  164    HG   CYS  18           HG       CYS  18  22.890  12.707   4.641
  165    H    ILE  19           H        ILE  19  22.364  11.341   9.768
  166    HA   ILE  19           HA       ILE  19  24.609  11.740  11.669
  167    HB   ILE  19           HB       ILE  19  23.535  13.760  12.616
  168   HG12  ILE  19          2HG1      ILE  19  22.146  15.171  11.008
  169   HG13  ILE  19          3HG1      ILE  19  21.757  13.697  10.138
  170   HG21  ILE  19          1HG2      ILE  19  24.487  15.291  11.026
  171   HG22  ILE  19          2HG2      ILE  19  25.483  13.829  11.077
  172   HG23  ILE  19          3HG2      ILE  19  24.371  14.102   9.718
  173   HD11  ILE  19          1HD1      ILE  19  21.161  14.219  13.093
  174   HD12  ILE  19          2HD1      ILE  19  20.011  14.442  11.762
  175   HD13  ILE  19          3HD1      ILE  19  20.596  12.823  12.141
  176    H    ARG  20           H        ARG  20  24.051  11.720  13.858
  177    HA   ARG  20           HA       ARG  20  21.493  10.369  14.639
  178    HB2  ARG  20          2HB       ARG  20  22.801   8.817  16.112
  179    HB3  ARG  20          3HB       ARG  20  22.925   8.508  14.393
  180    HG2  ARG  20          2HG       ARG  20  25.054  10.225  15.671
  181    HG3  ARG  20          3HG       ARG  20  25.063   8.494  16.014
  182    HD2  ARG  20          2HD       ARG  20  25.417   7.873  13.783
  183    HD3  ARG  20          3HD       ARG  20  24.882   9.428  13.145
  184    HE   ARG  20           HE       ARG  20  27.231   9.724  14.815
  185   HH11  ARG  20          1HH1      ARG  20  26.334   8.763  11.566
  186   HH12  ARG  20          2HH1      ARG  20  27.845   9.298  10.895
  187   HH21  ARG  20          1HH2      ARG  20  29.141  10.376  13.899
  188   HH22  ARG  20          2HH2      ARG  20  29.404  10.157  12.196
  189    H    ARG  21           H        ARG  21  23.617  12.823  15.311
  190    HA   ARG  21           HA       ARG  21  22.948  13.277  18.140
  191    HB2  ARG  21          2HB       ARG  21  24.085  15.421  17.828
  192    HB3  ARG  21          3HB       ARG  21  25.066  14.091  17.222
  193    HG2  ARG  21          2HG       ARG  21  24.359  14.656  14.881
  194    HG3  ARG  21          3HG       ARG  21  23.424  16.023  15.513
  195    HD2  ARG  21          2HD       ARG  21  25.467  17.037  16.414
  196    HD3  ARG  21          3HD       ARG  21  26.428  15.651  15.904
  197    HE   ARG  21           HE       ARG  21  25.300  17.796  14.202
  198   HH11  ARG  21          1HH1      ARG  21  27.053  14.764  14.166
  199   HH12  ARG  21          2HH1      ARG  21  27.601  15.001  12.529
  200   HH21  ARG  21          1HH2      ARG  21  26.036  18.038  12.136
  201   HH22  ARG  21          2HH2      ARG  21  27.029  16.809  11.415
  202    H    ALA  22           H        ALA  22  21.870  15.317  18.770
  203    HA   ALA  22           HA       ALA  22  19.682  16.238  16.972
  204    HB1  ALA  22          1HB       ALA  22  19.256  15.149  19.786
  205    HB2  ALA  22          2HB       ALA  22  18.025  15.934  18.771
  206    HB3  ALA  22          3HB       ALA  22  18.733  14.388  18.267
  207    H    SER  23           H        SER  23  21.068  18.064  16.779
  208    HA   SER  23           HA       SER  23  20.742  20.067  18.963
  209    HB2  SER  23          2HB       SER  23  23.099  20.816  18.527
  210    HB3  SER  23          3HB       SER  23  22.909  19.273  19.361
  211    HG   SER  23           HG       SER  23  24.503  19.243  17.671
  212    HA   PRO  24           HA       PRO  24  19.560  21.863  14.812
  213    HB2  PRO  24          2HB       PRO  24  17.039  22.719  15.457
  214    HB3  PRO  24          3HB       PRO  24  17.399  21.067  14.872
  215    HG2  PRO  24          2HG       PRO  24  17.042  21.989  17.738
  216    HG3  PRO  24          3HG       PRO  24  16.313  20.564  16.932
  217    HD2  PRO  24          2HD       PRO  24  18.549  20.369  18.481
  218    HD3  PRO  24          3HD       PRO  24  18.333  19.363  17.019
  219    H    THR  25           H        THR  25  19.956  23.955  14.381
  220    HA   THR  25           HA       THR  25  20.963  25.772  16.341
  221    HB   THR  25           HB       THR  25  20.112  26.439  13.500
  222    HG1  THR  25          1HG       THR  25  22.517  25.306  14.502
  223   HG21  THR  25          1HG2      THR  25  22.275  27.595  15.325
  224   HG22  THR  25          2HG2      THR  25  20.784  28.413  14.811
  225   HG23  THR  25          3HG2      THR  25  22.028  28.025  13.616
  Start of MODEL    8
    1    H1   SER   1           H1       SER   1   1.510   1.317   0.479
    2    H2   SER   1           H2       SER   1   1.482  -0.314   0.283
    3    H3   SER   1           H3       SER   1   0.187   0.591  -0.158
    4    HA   SER   1           HA       SER   1   1.441  -0.131  -2.084
    5    HB2  SER   1          2HB       SER   1   1.486   2.875  -1.616
    6    HB3  SER   1          3HB       SER   1   1.553   2.046  -3.185
    7    HG   SER   1           HG       SER   1  -0.580   2.696  -2.643
    8    H    LYS   2           H        LYS   2   3.392  -1.028  -2.346
    9    HA   LYS   2           HA       LYS   2   5.732  -0.543  -0.894
   10    HB2  LYS   2          2HB       LYS   2   5.277  -1.773  -3.635
   11    HB3  LYS   2          3HB       LYS   2   6.879  -1.705  -2.895
   12    HG2  LYS   2          2HG       LYS   2   6.163  -2.961  -0.963
   13    HG3  LYS   2          3HG       LYS   2   4.483  -2.972  -1.500
   14    HD2  LYS   2          2HD       LYS   2   6.759  -4.257  -3.075
   15    HD3  LYS   2          3HD       LYS   2   5.785  -5.110  -1.869
   16    HE2  LYS   2          2HE       LYS   2   3.716  -4.553  -3.149
   17    HE3  LYS   2          3HE       LYS   2   4.707  -3.785  -4.398
   18    HZ1  LYS   2          1HZ       LYS   2   4.869  -6.651  -3.618
   19    HZ2  LYS   2          2HZ       LYS   2   5.768  -5.945  -4.787
   20    HZ3  LYS   2          3HZ       LYS   2   4.154  -6.085  -4.970
   21    H    CYS   3           H        CYS   3   5.026   0.847  -4.099
   22    HA   CYS   3           HA       CYS   3   7.434   2.249  -4.487
   23    HB2  CYS   3          2HB       CYS   3   4.614   3.001  -5.393
   24    HB3  CYS   3          3HB       CYS   3   6.121   3.656  -6.056
   25    HG   CYS   3           HG       CYS   3   5.114   1.891  -7.723
   26    H    ARG   4           H        ARG   4   4.424   3.629  -3.083
   27    HA   ARG   4           HA       ARG   4   5.604   6.161  -2.394
   28    HB2  ARG   4          2HB       ARG   4   3.133   5.757  -2.639
   29    HB3  ARG   4          3HB       ARG   4   3.164   4.794  -1.164
   30    HG2  ARG   4          2HG       ARG   4   2.333   6.980  -0.611
   31    HG3  ARG   4          3HG       ARG   4   3.934   6.824   0.108
   32    HD2  ARG   4          2HD       ARG   4   4.845   8.085  -1.933
   33    HD3  ARG   4          3HD       ARG   4   3.158   8.348  -2.410
   34    HE   ARG   4           HE       ARG   4   3.765   9.178   0.334
   35   HH11  ARG   4          1HH1      ARG   4   3.828  10.325  -2.966
   36   HH12  ARG   4          2HH1      ARG   4   3.890  12.000  -2.483
   37   HH21  ARG   4          1HH2      ARG   4   3.876  11.311   0.894
   38   HH22  ARG   4          2HH2      ARG   4   3.922  12.533  -0.343
   39    H    GLN   5           H        GLN   5   5.098   3.225  -0.452
   40    HA   GLN   5           HA       GLN   5   6.129   4.182   2.009
   41    HB2  GLN   5          2HB       GLN   5   4.886   1.999   1.446
   42    HB3  GLN   5          3HB       GLN   5   6.449   1.323   1.010
   43    HG2  GLN   5          2HG       GLN   5   5.638   2.481   3.725
   44    HG3  GLN   5          3HG       GLN   5   5.692   0.770   3.315
   45   HE21  GLN   5          1HE2      GLN   5   8.081   0.136   2.306
   46   HE22  GLN   5          2HE2      GLN   5   9.357   0.723   3.368
   47    H    TRP   6           H        TRP   6   7.882   2.525  -0.669
   48    HA   TRP   6           HA       TRP   6  10.498   2.680   0.398
   49    HB2  TRP   6          2HB       TRP   6   9.914   1.270  -1.472
   50    HB3  TRP   6          3HB       TRP   6   9.480   2.658  -2.455
   51    HD1  TRP   6           HD1      TRP   6  12.689   1.508  -0.595
   52    HE1  TRP   6           HE1      TRP   6  14.713   1.865  -2.152
   53    HE3  TRP   6           HE3      TRP   6  10.274   3.559  -4.624
   54    HZ2  TRP   6           HZ2      TRP   6  15.205   2.852  -4.805
   55    HZ3  TRP   6           HZ3      TRP   6  11.554   4.196  -6.662
   56    HH2  TRP   6           HH2      TRP   6  14.010   3.850  -6.762
   57    H    GLN   7           H        GLN   7   8.939   5.052  -1.863
   58    HA   GLN   7           HA       GLN   7  11.153   6.870  -1.841
   59    HB2  GLN   7          2HB       GLN   7   8.202   7.355  -2.380
   60    HB3  GLN   7          3HB       GLN   7   9.472   8.572  -2.592
   61    HG2  GLN   7          2HG       GLN   7  10.664   7.007  -4.156
   62    HG3  GLN   7          3HG       GLN   7   9.288   5.913  -4.077
   63   HE21  GLN   7          1HE2      GLN   7  10.311   7.221  -6.501
   64   HE22  GLN   7          2HE2      GLN   7   9.009   8.273  -7.047
   65    H    SER   8           H        SER   8   8.310   6.753   0.319
   66    HA   SER   8           HA       SER   8   8.999   9.011   1.953
   67    HB2  SER   8          2HB       SER   8   6.798   7.884   2.003
   68    HB3  SER   8          3HB       SER   8   7.546   6.445   2.711
   69    HG   SER   8           HG       SER   8   7.305   9.048   3.835
   70    H    LYS   9           H        LYS   9   9.787   5.533   2.361
   71    HA   LYS   9           HA       LYS   9  11.420   5.750   4.662
   72    HB2  LYS   9          2HB       LYS   9  10.473   3.666   3.814
   73    HB3  LYS   9          3HB       LYS   9  11.540   3.689   2.416
   74    HG2  LYS   9          2HG       LYS   9  12.744   3.815   5.191
   75    HG3  LYS   9          3HG       LYS   9  12.058   2.292   4.661
   76    HD2  LYS   9          2HD       LYS   9  14.173   3.768   3.037
   77    HD3  LYS   9          3HD       LYS   9  14.575   2.610   4.291
   78    HE2  LYS   9          2HE       LYS   9  12.759   1.913   1.945
   79    HE3  LYS   9          3HE       LYS   9  14.519   1.784   1.860
   80    HZ1  LYS   9          1HZ       LYS   9  14.462   0.232   3.718
   81    HZ2  LYS   9          2HZ       LYS   9  13.526  -0.329   2.509
   82    HZ3  LYS   9          3HZ       LYS   9  12.837   0.331   3.834
   83    H    ILE  10           H        ILE  10  12.424   6.045   1.237
   84    HA   ILE  10           HA       ILE  10  15.217   6.430   1.701
   85    HB   ILE  10           HB       ILE  10  13.400   7.593  -0.441
   86   HG12  ILE  10          2HG1      ILE  10  15.578   5.508  -0.807
   87   HG13  ILE  10          3HG1      ILE  10  13.986   5.008  -0.251
   88   HG21  ILE  10          1HG2      ILE  10  15.548   8.095  -1.692
   89   HG22  ILE  10          2HG2      ILE  10  15.327   9.104  -0.276
   90   HG23  ILE  10          3HG2      ILE  10  16.447   7.720  -0.214
   91   HD11  ILE  10          1HD1      ILE  10  12.923   5.616  -2.257
   92   HD12  ILE  10          2HD1      ILE  10  14.238   6.686  -2.777
   93   HD13  ILE  10          3HD1      ILE  10  14.472   4.940  -2.783
   94    H    ARG  11           H        ARG  11  12.651   8.938   1.546
   95    HA   ARG  11           HA       ARG  11  14.340  11.139   2.319
   96    HB2  ARG  11          2HB       ARG  11  11.322  10.741   2.463
   97    HB3  ARG  11          3HB       ARG  11  12.132  12.246   2.913
   98    HG2  ARG  11          2HG       ARG  11  13.131  12.408   0.637
   99    HG3  ARG  11          3HG       ARG  11  12.316  10.911   0.175
  100    HD2  ARG  11          2HD       ARG  11  11.062  12.783  -0.677
  101    HD3  ARG  11          3HD       ARG  11  10.115  11.974   0.586
  102    HE   ARG  11           HE       ARG  11  11.617  14.105   1.772
  103   HH11  ARG  11          1HH1      ARG  11   8.912  13.805  -0.414
  104   HH12  ARG  11          2HH1      ARG  11   8.212  15.320   0.095
  105   HH21  ARG  11          1HH2      ARG  11  10.673  16.003   2.408
  106   HH22  ARG  11          2HH2      ARG  11   9.197  16.527   1.657
  107    H    ARG  12           H        ARG  12  12.510   8.888   4.315
  108    HA   ARG  12           HA       ARG  12  13.153  10.132   6.868
  109    HB2  ARG  12          2HB       ARG  12  11.538   7.976   6.036
  110    HB3  ARG  12          3HB       ARG  12  12.831   7.179   6.904
  111    HG2  ARG  12          2HG       ARG  12  11.289   7.585   8.602
  112    HG3  ARG  12          3HG       ARG  12  12.404   8.936   8.786
  113    HD2  ARG  12          2HD       ARG  12  10.213   9.836   8.960
  114    HD3  ARG  12          3HD       ARG  12  10.796  10.326   7.361
  115    HE   ARG  12           HE       ARG  12   9.474   7.999   6.789
  116   HH11  ARG  12          1HH1      ARG  12   8.355  10.805   8.545
  117   HH12  ARG  12          2HH1      ARG  12   6.681  10.463   8.193
  118   HH21  ARG  12          1HH2      ARG  12   7.362   7.734   6.228
  119   HH22  ARG  12          2HH2      ARG  12   6.142   8.709   6.982
  120    H    THR  13           H        THR  13  14.660   7.478   5.096
  121    HA   THR  13           HA       THR  13  16.627   6.812   7.055
  122    HB   THR  13           HB       THR  13  16.665   6.236   4.069
  123    HG1  THR  13          1HG       THR  13  14.875   5.403   5.016
  124   HG21  THR  13          1HG2      THR  13  18.006   4.235   4.748
  125   HG22  THR  13          2HG2      THR  13  18.144   4.909   6.388
  126   HG23  THR  13          3HG2      THR  13  18.880   5.749   5.002
  127    H    ASN  14           H        ASN  14  16.797   9.064   4.312
  128    HA   ASN  14           HA       ASN  14  19.538   9.534   4.177
  129    HB2  ASN  14          2HB       ASN  14  17.112  11.169   3.541
  130    HB3  ASN  14          3HB       ASN  14  18.635  12.041   3.701
  131   HD21  ASN  14          1HD2      ASN  14  17.085   9.350   1.912
  132   HD22  ASN  14          2HD2      ASN  14  18.216   9.479   0.556
  133    HA   PRO  15           HA       PRO  15  19.803  12.737   7.674
  134    HB2  PRO  15          2HB       PRO  15  17.708  13.101   9.442
  135    HB3  PRO  15          3HB       PRO  15  17.989  14.078   7.971
  136    HG2  PRO  15          2HG       PRO  15  16.130  11.719   8.317
  137    HG3  PRO  15          3HG       PRO  15  15.794  13.289   7.524
  138    HD2  PRO  15          2HD       PRO  15  16.451  11.088   6.078
  139    HD3  PRO  15          3HD       PRO  15  17.051  12.704   5.615
  140    H    ILE  16           H        ILE  16  17.714   9.941   8.513
  141    HA   ILE  16           HA       ILE  16  18.846   9.372  11.072
  142    HB   ILE  16           HB       ILE  16  17.374   7.649   9.054
  143   HG12  ILE  16          2HG1      ILE  16  16.487   8.941  11.681
  144   HG13  ILE  16          3HG1      ILE  16  16.165   9.602  10.086
  145   HG21  ILE  16          1HG2      ILE  16  16.957   6.013  10.877
  146   HG22  ILE  16          2HG2      ILE  16  18.652   6.095  10.463
  147   HG23  ILE  16          3HG2      ILE  16  18.067   6.915  11.932
  148   HD11  ILE  16          1HD1      ILE  16  14.883   7.480   9.532
  149   HD12  ILE  16          2HD1      ILE  16  15.009   7.053  11.256
  150   HD13  ILE  16          3HD1      ILE  16  14.171   8.531  10.772
  151    H    PHE  17           H        PHE  17  20.066   8.595   7.882
  152    HA   PHE  17           HA       PHE  17  22.255   6.921   8.959
  153    HB2  PHE  17          2HB       PHE  17  21.038   6.273   6.913
  154    HB3  PHE  17          3HB       PHE  17  21.532   7.770   6.134
  155    HD1  PHE  17           HD1      PHE  17  23.142   7.386   4.479
  156    HD2  PHE  17           HD2      PHE  17  23.302   5.047   8.106
  157    HE1  PHE  17           HE1      PHE  17  25.154   6.205   3.636
  158    HE2  PHE  17           HE2      PHE  17  25.324   3.888   7.265
  159    HZ   PHE  17           HZ       PHE  17  26.252   4.458   5.028
  160    H    CYS  18           H        CYS  18  21.915  10.082   7.247
  161    HA   CYS  18           HA       CYS  18  24.701  10.687   7.173
  162    HB2  CYS  18          2HB       CYS  18  22.202  12.417   7.016
  163    HB3  CYS  18          3HB       CYS  18  23.841  13.058   6.806
  164    HG   CYS  18           HG       CYS  18  22.697  12.724   4.454
  165    H    ILE  19           H        ILE  19  22.339  11.285   9.763
  166    HA   ILE  19           HA       ILE  19  24.594  12.036  11.550
  167    HB   ILE  19           HB       ILE  19  23.188  13.661  12.742
  168   HG12  ILE  19          2HG1      ILE  19  21.275  13.580  10.376
  169   HG13  ILE  19          3HG1      ILE  19  20.948  12.812  11.933
  170   HG21  ILE  19          1HG2      ILE  19  23.580  15.514  11.252
  171   HG22  ILE  19          2HG2      ILE  19  24.873  14.335  11.027
  172   HG23  ILE  19          3HG2      ILE  19  23.564  14.451   9.831
  173   HD11  ILE  19          1HD1      ILE  19  19.817  14.935  11.861
  174   HD12  ILE  19          2HD1      ILE  19  21.133  15.046  13.046
  175   HD13  ILE  19          3HD1      ILE  19  21.306  15.790  11.436
  176    H    ARG  20           H        ARG  20  24.104  11.740  13.817
  177    HA   ARG  20           HA       ARG  20  22.068   9.623  14.400
  178    HB2  ARG  20          2HB       ARG  20  24.613   8.948  14.061
  179    HB3  ARG  20          3HB       ARG  20  24.814   9.604  15.677
  180    HG2  ARG  20          2HG       ARG  20  24.522   7.241  15.861
  181    HG3  ARG  20          3HG       ARG  20  23.026   7.956  16.465
  182    HD2  ARG  20          2HD       ARG  20  21.908   7.472  14.311
  183    HD3  ARG  20          3HD       ARG  20  23.438   6.866  13.649
  184    HE   ARG  20           HE       ARG  20  22.723   5.459  16.069
  185   HH11  ARG  20          1HH1      ARG  20  21.846   5.546  12.685
  186   HH12  ARG  20          2HH1      ARG  20  21.383   3.865  12.666
  187   HH21  ARG  20          1HH2      ARG  20  22.094   3.340  15.997
  188   HH22  ARG  20          2HH2      ARG  20  21.505   2.658  14.511
  189    H    ARG  21           H        ARG  21  22.010  12.496  14.838
  190    HA   ARG  21           HA       ARG  21  21.629  12.636  17.813
  191    HB2  ARG  21          2HB       ARG  21  22.647  14.927  16.078
  192    HB3  ARG  21          3HB       ARG  21  22.440  14.911  17.832
  193    HG2  ARG  21          2HG       ARG  21  24.186  12.999  17.867
  194    HG3  ARG  21          3HG       ARG  21  24.495  13.404  16.172
  195    HD2  ARG  21          2HD       ARG  21  26.135  14.603  17.382
  196    HD3  ARG  21          3HD       ARG  21  24.932  15.799  16.920
  197    HE   ARG  21           HE       ARG  21  24.361  16.110  19.165
  198   HH11  ARG  21          1HH1      ARG  21  26.446  13.305  19.021
  199   HH12  ARG  21          2HH1      ARG  21  26.574  13.193  20.755
  200   HH21  ARG  21          1HH2      ARG  21  24.538  15.904  21.363
  201   HH22  ARG  21          2HH2      ARG  21  25.518  14.635  22.038
  202    H    ALA  22           H        ALA  22  20.124  14.226  18.531
  203    HA   ALA  22           HA       ALA  22  17.733  14.393  16.791
  204    HB1  ALA  22          1HB       ALA  22  16.548  14.739  18.909
  205    HB2  ALA  22          2HB       ALA  22  17.602  13.319  19.010
  206    HB3  ALA  22          3HB       ALA  22  18.090  14.847  19.783
  207    H    SER  23           H        SER  23  20.245  16.484  17.367
  208    HA   SER  23           HA       SER  23  18.576  18.916  16.890
  209    HB2  SER  23          2HB       SER  23  19.176  18.705  19.307
  210    HB3  SER  23          3HB       SER  23  20.879  18.824  18.852
  211    HG   SER  23           HG       SER  23  18.798  20.754  18.556
  212    HA   PRO  24           HA       PRO  24  22.017  18.973  13.794
  213    HB2  PRO  24          2HB       PRO  24  20.513  19.756  11.644
  214    HB3  PRO  24          3HB       PRO  24  20.687  18.050  12.150
  215    HG2  PRO  24          2HG       PRO  24  18.413  19.953  12.765
  216    HG3  PRO  24          3HG       PRO  24  18.320  18.256  12.196
  217    HD2  PRO  24          2HD       PRO  24  18.058  18.959  14.826
  218    HD3  PRO  24          3HD       PRO  24  18.816  17.416  14.332
  219    H    THR  25           H        THR  25  23.030  20.836  13.033
  220    HA   THR  25           HA       THR  25  21.866  23.532  13.539
  221    HB   THR  25           HB       THR  25  24.580  22.677  14.616
  222    HG1  THR  25          1HG       THR  25  22.085  23.093  15.898
  223   HG21  THR  25          1HG2      THR  25  22.950  25.236  14.980
  224   HG22  THR  25          2HG2      THR  25  24.481  25.078  14.090
  225   HG23  THR  25          3HG2      THR  25  24.455  24.837  15.841
  Start of MODEL    9
    1    H1   SER   1           H1       SER   1   5.817  -2.429  -6.791
    2    H2   SER   1           H2       SER   1   4.614  -1.314  -6.795
    3    H3   SER   1           H3       SER   1   4.290  -2.873  -7.188
    4    HA   SER   1           HA       SER   1   3.507  -2.355  -4.968
    5    HB2  SER   1          2HB       SER   1   5.800  -4.360  -5.038
    6    HB3  SER   1          3HB       SER   1   4.463  -4.315  -3.869
    7    HG   SER   1           HG       SER   1   4.054  -5.789  -5.578
    8    H    LYS   2           H        LYS   2   3.892  -1.516  -2.950
    9    HA   LYS   2           HA       LYS   2   4.780  -0.204  -1.318
   10    HB2  LYS   2          2HB       LYS   2   7.170  -1.966  -1.947
   11    HB3  LYS   2          3HB       LYS   2   7.144  -0.865  -0.579
   12    HG2  LYS   2          2HG       LYS   2   5.350  -1.947   0.488
   13    HG3  LYS   2          3HG       LYS   2   4.922  -2.903  -0.931
   14    HD2  LYS   2          2HD       LYS   2   7.596  -3.215   0.497
   15    HD3  LYS   2          3HD       LYS   2   6.141  -4.120   0.949
   16    HE2  LYS   2          2HE       LYS   2   5.948  -5.003  -1.361
   17    HE3  LYS   2          3HE       LYS   2   7.425  -4.145  -1.820
   18    HZ1  LYS   2          1HZ       LYS   2   8.638  -5.496  -0.199
   19    HZ2  LYS   2          2HZ       LYS   2   7.861  -6.472  -1.248
   20    HZ3  LYS   2          3HZ       LYS   2   7.272  -6.267   0.258
   21    H    CYS   3           H        CYS   3   5.285   0.789  -4.234
   22    HA   CYS   3           HA       CYS   3   7.637   2.255  -4.397
   23    HB2  CYS   3          2HB       CYS   3   4.911   2.983  -5.567
   24    HB3  CYS   3          3HB       CYS   3   6.482   3.582  -6.125
   25    HG   CYS   3           HG       CYS   3   5.600   1.793  -7.818
   26    H    ARG   4           H        ARG   4   4.515   3.576  -3.240
   27    HA   ARG   4           HA       ARG   4   5.468   6.198  -2.616
   28    HB2  ARG   4          2HB       ARG   4   3.017   5.043  -2.761
   29    HB3  ARG   4          3HB       ARG   4   3.198   5.012  -1.019
   30    HG2  ARG   4          2HG       ARG   4   3.186   7.435  -2.871
   31    HG3  ARG   4          3HG       ARG   4   1.949   6.935  -1.732
   32    HD2  ARG   4          2HD       ARG   4   2.846   8.584  -0.499
   33    HD3  ARG   4          3HD       ARG   4   3.893   7.277   0.069
   34    HE   ARG   4           HE       ARG   4   5.141   8.434  -2.201
   35   HH11  ARG   4          1HH1      ARG   4   4.266   9.578   0.974
   36   HH12  ARG   4          2HH1      ARG   4   5.461  10.845   0.956
   37   HH21  ARG   4          1HH2      ARG   4   6.653  10.049  -2.176
   38   HH22  ARG   4          2HH2      ARG   4   6.804  11.062  -0.772
   39    H    GLN   5           H        GLN   5   5.064   3.369  -0.545
   40    HA   GLN   5           HA       GLN   5   6.039   4.445   1.904
   41    HB2  GLN   5          2HB       GLN   5   4.755   2.319   1.656
   42    HB3  GLN   5          3HB       GLN   5   6.143   1.577   0.868
   43    HG2  GLN   5          2HG       GLN   5   6.054   0.862   3.178
   44    HG3  GLN   5          3HG       GLN   5   7.485   1.846   2.932
   45   HE21  GLN   5          1HE2      GLN   5   7.610   2.322   5.250
   46   HE22  GLN   5          2HE2      GLN   5   6.419   3.405   5.969
   47    H    TRP   6           H        TRP   6   7.816   2.694  -0.692
   48    HA   TRP   6           HA       TRP   6  10.412   2.844   0.454
   49    HB2  TRP   6          2HB       TRP   6   9.819   1.408  -1.424
   50    HB3  TRP   6          3HB       TRP   6   9.512   2.801  -2.444
   51    HD1  TRP   6           HD1      TRP   6  12.567   1.609  -0.355
   52    HE1  TRP   6           HE1      TRP   6  14.681   1.783  -1.818
   53    HE3  TRP   6           HE3      TRP   6  10.456   3.496  -4.630
   54    HZ2  TRP   6           HZ2      TRP   6  15.361   2.613  -4.487
   55    HZ3  TRP   6           HZ3      TRP   6  11.872   3.988  -6.616
   56    HH2  TRP   6           HH2      TRP   6  14.316   3.556  -6.555
   57    H    GLN   7           H        GLN   7   8.861   5.148  -1.851
   58    HA   GLN   7           HA       GLN   7  10.931   7.068  -1.914
   59    HB2  GLN   7          2HB       GLN   7   7.922   7.335  -2.204
   60    HB3  GLN   7          3HB       GLN   7   9.009   8.704  -2.415
   61    HG2  GLN   7          2HG       GLN   7   9.285   6.125  -4.020
   62    HG3  GLN   7          3HG       GLN   7   8.312   7.496  -4.538
   63   HE21  GLN   7          1HE2      GLN   7   9.421   9.546  -5.114
   64   HE22  GLN   7          2HE2      GLN   7  11.143   9.480  -5.469
   65    H    SER   8           H        SER   8   8.158   7.026   0.447
   66    HA   SER   8           HA       SER   8   9.175   9.333   1.875
   67    HB2  SER   8          2HB       SER   8   7.572   8.798   3.601
   68    HB3  SER   8          3HB       SER   8   6.827   8.687   1.999
   69    HG   SER   8           HG       SER   8   6.268   6.928   3.376
   70    H    LYS   9           H        LYS   9   9.661   5.831   2.342
   71    HA   LYS   9           HA       LYS   9  11.171   6.034   4.761
   72    HB2  LYS   9          2HB       LYS   9  10.106   3.977   3.789
   73    HB3  LYS   9          3HB       LYS   9  11.474   3.842   2.671
   74    HG2  LYS   9          2HG       LYS   9  13.012   3.567   4.570
   75    HG3  LYS   9          3HG       LYS   9  11.715   3.966   5.716
   76    HD2  LYS   9          2HD       LYS   9  10.445   1.943   4.917
   77    HD3  LYS   9          3HD       LYS   9  11.852   1.497   3.930
   78    HE2  LYS   9          2HE       LYS   9  13.250   1.361   5.961
   79    HE3  LYS   9          3HE       LYS   9  11.902   1.928   6.954
   80    HZ1  LYS   9          1HZ       LYS   9  10.683  -0.094   6.353
   81    HZ2  LYS   9          2HZ       LYS   9  12.102  -0.487   7.049
   82    HZ3  LYS   9          3HZ       LYS   9  11.926  -0.625   5.432
   83    H    ILE  10           H        ILE  10  12.373   6.069   1.376
   84    HA   ILE  10           HA       ILE  10  15.150   6.413   1.912
   85    HB   ILE  10           HB       ILE  10  13.451   7.693  -0.258
   86   HG12  ILE  10          2HG1      ILE  10  15.368   5.333  -0.543
   87   HG13  ILE  10          3HG1      ILE  10  13.670   5.115  -0.183
   88   HG21  ILE  10          1HG2      ILE  10  15.608   8.021  -1.505
   89   HG22  ILE  10          2HG2      ILE  10  15.506   9.010  -0.070
   90   HG23  ILE  10          3HG2      ILE  10  16.493   7.525  -0.052
   91   HD11  ILE  10          1HD1      ILE  10  14.891   6.240  -2.711
   92   HD12  ILE  10          2HD1      ILE  10  13.719   4.939  -2.510
   93   HD13  ILE  10          3HD1      ILE  10  13.205   6.605  -2.279
   94    H    ARG  11           H        ARG  11  12.626   8.934   1.716
   95    HA   ARG  11           HA       ARG  11  14.328  11.164   2.314
   96    HB2  ARG  11          2HB       ARG  11  11.318  10.769   2.537
   97    HB3  ARG  11          3HB       ARG  11  12.118  12.311   2.858
   98    HG2  ARG  11          2HG       ARG  11  13.024  12.399   0.589
   99    HG3  ARG  11          3HG       ARG  11  12.405  10.786   0.231
  100    HD2  ARG  11          2HD       ARG  11  10.978  12.433  -0.786
  101    HD3  ARG  11          3HD       ARG  11  10.088  11.584   0.488
  102    HE   ARG  11           HE       ARG  11  11.157  13.881   1.704
  103   HH11  ARG  11          1HH1      ARG  11   8.954  13.387  -0.958
  104   HH12  ARG  11          2HH1      ARG  11   8.063  14.847  -0.615
  105   HH21  ARG  11          1HH2      ARG  11  10.004  15.726   2.091
  106   HH22  ARG  11          2HH2      ARG  11   8.662  16.139   1.066
  107    H    ARG  12           H        ARG  12  12.765   8.947   4.518
  108    HA   ARG  12           HA       ARG  12  13.626  10.493   6.921
  109    HB2  ARG  12          2HB       ARG  12  12.264   7.780   6.634
  110    HB3  ARG  12          3HB       ARG  12  12.728   8.521   8.174
  111    HG2  ARG  12          2HG       ARG  12  11.351  10.545   7.563
  112    HG3  ARG  12          3HG       ARG  12  10.740   9.669   6.157
  113    HD2  ARG  12          2HD       ARG  12  10.468   8.774   9.057
  114    HD3  ARG  12          3HD       ARG  12   9.220   9.633   8.139
  115    HE   ARG  12           HE       ARG  12   9.817   7.398   6.585
  116   HH11  ARG  12          1HH1      ARG  12   8.525   7.889   9.794
  117   HH12  ARG  12          2HH1      ARG  12   7.632   6.393   9.777
  118   HH21  ARG  12          1HH2      ARG  12   8.666   5.486   6.618
  119   HH22  ARG  12          2HH2      ARG  12   7.742   5.068   8.034
  120    H    THR  13           H        THR  13  14.603   7.442   5.324
  121    HA   THR  13           HA       THR  13  16.732   6.781   7.070
  122    HB   THR  13           HB       THR  13  16.393   6.199   4.111
  123    HG1  THR  13          1HG       THR  13  15.674   4.236   4.935
  124   HG21  THR  13          1HG2      THR  13  18.758   5.825   4.647
  125   HG22  THR  13          2HG2      THR  13  17.936   4.267   4.547
  126   HG23  THR  13          3HG2      THR  13  18.317   4.963   6.138
  127    H    ASN  14           H        ASN  14  16.728   9.077   4.337
  128    HA   ASN  14           HA       ASN  14  19.470   9.575   4.112
  129    HB2  ASN  14          2HB       ASN  14  17.006  11.171   3.545
  130    HB3  ASN  14          3HB       ASN  14  18.507  12.080   3.705
  131   HD21  ASN  14          1HD2      ASN  14  17.062   9.327   1.928
  132   HD22  ASN  14          2HD2      ASN  14  18.140   9.531   0.539
  133    HA   PRO  15           HA       PRO  15  19.805  12.760   7.611
  134    HB2  PRO  15          2HB       PRO  15  17.744  13.095   9.436
  135    HB3  PRO  15          3HB       PRO  15  18.022  14.108   7.989
  136    HG2  PRO  15          2HG       PRO  15  16.127  11.776   8.305
  137    HG3  PRO  15          3HG       PRO  15  15.816  13.363   7.536
  138    HD2  PRO  15          2HD       PRO  15  16.415  11.181   6.038
  139    HD3  PRO  15          3HD       PRO  15  17.054  12.789   5.612
  140    H    ILE  16           H        ILE  16  17.718   9.965   8.512
  141    HA   ILE  16           HA       ILE  16  18.940   9.411  11.027
  142    HB   ILE  16           HB       ILE  16  17.416   7.654   9.079
  143   HG12  ILE  16          2HG1      ILE  16  16.578   8.953  11.719
  144   HG13  ILE  16          3HG1      ILE  16  16.244   9.641  10.139
  145   HG21  ILE  16          1HG2      ILE  16  17.056   6.054  10.949
  146   HG22  ILE  16          2HG2      ILE  16  18.742   6.137  10.489
  147   HG23  ILE  16          3HG2      ILE  16  18.189   6.986  11.952
  148   HD11  ILE  16          1HD1      ILE  16  15.085   7.081  11.279
  149   HD12  ILE  16          2HD1      ILE  16  14.250   8.570  10.822
  150   HD13  ILE  16          3HD1      ILE  16  14.948   7.533   9.563
  151    H    PHE  17           H        PHE  17  20.016   8.490   7.788
  152    HA   PHE  17           HA       PHE  17  22.222   6.825   8.803
  153    HB2  PHE  17          2HB       PHE  17  21.002   6.277   6.726
  154    HB3  PHE  17          3HB       PHE  17  21.534   7.791   6.003
  155    HD1  PHE  17           HD1      PHE  17  23.462   7.732   4.640
  156    HD2  PHE  17           HD2      PHE  17  22.939   4.706   7.674
  157    HE1  PHE  17           HE1      PHE  17  25.496   6.562   3.830
  158    HE2  PHE  17           HE2      PHE  17  24.981   3.548   6.867
  159    HZ   PHE  17           HZ       PHE  17  26.261   4.472   4.943
  160    H    CYS  18           H        CYS  18  21.918  10.026   7.157
  161    HA   CYS  18           HA       CYS  18  24.694  10.629   7.092
  162    HB2  CYS  18          2HB       CYS  18  22.202  12.376   7.060
  163    HB3  CYS  18          3HB       CYS  18  23.842  13.023   6.863
  164    HG   CYS  18           HG       CYS  18  22.673  12.812   4.509
  165    H    ILE  19           H        ILE  19  22.326  11.256   9.698
  166    HA   ILE  19           HA       ILE  19  24.608  11.820  11.519
  167    HB   ILE  19           HB       ILE  19  23.251  13.462  12.757
  168   HG12  ILE  19          2HG1      ILE  19  21.426  13.574  10.316
  169   HG13  ILE  19          3HG1      ILE  19  20.988  12.819  11.852
  170   HG21  ILE  19          1HG2      ILE  19  25.043  14.081  11.122
  171   HG22  ILE  19          2HG2      ILE  19  23.790  14.317   9.885
  172   HG23  ILE  19          3HG2      ILE  19  23.824  15.336  11.339
  173   HD11  ILE  19          1HD1      ILE  19  21.304  15.018  13.000
  174   HD12  ILE  19          2HD1      ILE  19  21.570  15.769  11.405
  175   HD13  ILE  19          3HD1      ILE  19  20.016  15.010  11.779
  176    H    ARG  20           H        ARG  20  24.491  11.045  13.498
  177    HA   ARG  20           HA       ARG  20  22.208   9.264  14.291
  178    HB2  ARG  20          2HB       ARG  20  23.818   7.573  15.045
  179    HB3  ARG  20          3HB       ARG  20  23.856   7.829  13.317
  180    HG2  ARG  20          2HG       ARG  20  25.834   9.434  14.902
  181    HG3  ARG  20          3HG       ARG  20  26.076   7.695  14.927
  182    HD2  ARG  20          2HD       ARG  20  25.755   9.260  12.336
  183    HD3  ARG  20          3HD       ARG  20  27.318   8.983  13.122
  184    HE   ARG  20           HE       ARG  20  26.152   6.452  12.913
  185   HH11  ARG  20          1HH1      ARG  20  27.160   8.857  10.583
  186   HH12  ARG  20          2HH1      ARG  20  27.561   7.656   9.385
  187   HH21  ARG  20          1HH2      ARG  20  26.697   4.977  11.365
  188   HH22  ARG  20          2HH2      ARG  20  27.319   5.516   9.834
  189    H    ARG  21           H        ARG  21  22.637  11.873  15.118
  190    HA   ARG  21           HA       ARG  21  22.808  13.327  16.863
  191    HB2  ARG  21          2HB       ARG  21  20.978  11.700  17.514
  192    HB3  ARG  21          3HB       ARG  21  22.106  10.983  18.662
  193    HG2  ARG  21          2HG       ARG  21  22.215  13.033  19.945
  194    HG3  ARG  21          3HG       ARG  21  21.402  13.955  18.674
  195    HD2  ARG  21          2HD       ARG  21  20.128  11.652  20.212
  196    HD3  ARG  21          3HD       ARG  21  19.980  13.337  20.693
  197    HE   ARG  21           HE       ARG  21  18.609  11.994  18.479
  198   HH11  ARG  21          1HH1      ARG  21  19.430  15.157  19.725
  199   HH12  ARG  21          2HH1      ARG  21  18.207  15.951  18.771
  200   HH21  ARG  21          1HH2      ARG  21  17.081  13.056  17.288
  201   HH22  ARG  21          2HH2      ARG  21  16.912  14.780  17.432
  202    H    ALA  22           H        ALA  22  25.270  11.699  16.186
  203    HA   ALA  22           HA       ALA  22  26.972  11.710  18.528
  204    HB1  ALA  22          1HB       ALA  22  28.772  11.388  16.856
  205    HB2  ALA  22          2HB       ALA  22  27.411  10.290  16.571
  206    HB3  ALA  22          3HB       ALA  22  27.626  11.730  15.543
  207    H    SER  23           H        SER  23  26.221  14.113  16.044
  208    HA   SER  23           HA       SER  23  27.709  16.232  17.545
  209    HB2  SER  23          2HB       SER  23  27.824  15.807  14.540
  210    HB3  SER  23          3HB       SER  23  28.539  17.159  15.432
  211    HG   SER  23           HG       SER  23  29.889  15.659  16.512
  212    HA   PRO  24           HA       PRO  24  23.417  17.720  16.482
  213    HB2  PRO  24          2HB       PRO  24  22.613  18.454  18.986
  214    HB3  PRO  24          3HB       PRO  24  22.499  16.773  18.387
  215    HG2  PRO  24          2HG       PRO  24  24.677  17.987  20.114
  216    HG3  PRO  24          3HG       PRO  24  23.783  16.454  20.373
  217    HD2  PRO  24          2HD       PRO  24  26.246  16.533  19.193
  218    HD3  PRO  24          3HD       PRO  24  25.000  15.352  18.697
  219    H    THR  25           H        THR  25  22.574  19.954  16.871
  220    HA   THR  25           HA       THR  25  24.711  22.027  17.240
  221    HB   THR  25           HB       THR  25  22.568  22.122  15.091
  222    HG1  THR  25          1HG       THR  25  25.300  21.359  14.946
  223   HG21  THR  25          1HG2      THR  25  24.045  23.870  14.127
  224   HG22  THR  25          2HG2      THR  25  25.128  23.735  15.536
  225   HG23  THR  25          3HG2      THR  25  23.462  24.330  15.736
  Start of MODEL   10
    1    H1   SER   1           H1       SER   1   0.765  -0.242  -4.363
    2    H2   SER   1           H2       SER   1   0.940  -1.681  -3.596
    3    H3   SER   1           H3       SER   1   0.633  -1.638  -5.207
    4    HA   SER   1           HA       SER   1   2.935  -2.184  -4.783
    5    HB2  SER   1          2HB       SER   1   2.536   0.526  -6.115
    6    HB3  SER   1          3HB       SER   1   3.910  -0.578  -6.345
    7    HG   SER   1           HG       SER   1   2.332  -0.837  -7.983
    8    H    LYS   2           H        LYS   2   4.824  -1.792  -3.677
    9    HA   LYS   2           HA       LYS   2   4.688  -0.069  -1.332
   10    HB2  LYS   2          2HB       LYS   2   6.848  -1.930  -2.419
   11    HB3  LYS   2          3HB       LYS   2   7.079  -0.927  -0.999
   12    HG2  LYS   2          2HG       LYS   2   6.408  -2.808   0.050
   13    HG3  LYS   2          3HG       LYS   2   4.877  -1.975  -0.092
   14    HD2  LYS   2          2HD       LYS   2   4.441  -4.247  -0.629
   15    HD3  LYS   2          3HD       LYS   2   4.391  -3.390  -2.157
   16    HE2  LYS   2          2HE       LYS   2   5.590  -5.385  -2.588
   17    HE3  LYS   2          3HE       LYS   2   6.817  -4.118  -2.542
   18    HZ1  LYS   2          1HZ       LYS   2   6.176  -5.972  -0.302
   19    HZ2  LYS   2          2HZ       LYS   2   7.331  -4.817  -0.249
   20    HZ3  LYS   2          3HZ       LYS   2   7.484  -6.082  -1.265
   21    H    CYS   3           H        CYS   3   5.544   0.810  -4.432
   22    HA   CYS   3           HA       CYS   3   7.829   2.335  -4.296
   23    HB2  CYS   3          2HB       CYS   3   6.474   1.900  -6.325
   24    HB3  CYS   3          3HB       CYS   3   5.267   3.080  -5.775
   25    HG   CYS   3           HG       CYS   3   6.733   4.135  -7.684
   26    H    ARG   4           H        ARG   4   4.590   3.632  -3.389
   27    HA   ARG   4           HA       ARG   4   5.540   6.230  -2.607
   28    HB2  ARG   4          2HB       ARG   4   3.035   4.623  -2.037
   29    HB3  ARG   4          3HB       ARG   4   3.313   6.108  -1.134
   30    HG2  ARG   4          2HG       ARG   4   3.427   6.043  -4.174
   31    HG3  ARG   4          3HG       ARG   4   1.924   6.315  -3.278
   32    HD2  ARG   4          2HD       ARG   4   2.798   8.298  -2.214
   33    HD3  ARG   4          3HD       ARG   4   4.419   8.011  -2.865
   34    HE   ARG   4           HE       ARG   4   2.554   8.216  -5.029
   35   HH11  ARG   4          1HH1      ARG   4   4.111  10.299  -2.691
   36   HH12  ARG   4          2HH1      ARG   4   4.094  11.675  -3.760
   37   HH21  ARG   4          1HH2      ARG   4   2.567  10.000  -6.354
   38   HH22  ARG   4          2HH2      ARG   4   3.235  11.499  -5.778
   39    H    GLN   5           H        GLN   5   5.080   3.337  -0.607
   40    HA   GLN   5           HA       GLN   5   5.972   4.527   1.858
   41    HB2  GLN   5          2HB       GLN   5   4.739   2.395   1.768
   42    HB3  GLN   5          3HB       GLN   5   6.086   1.623   0.936
   43    HG2  GLN   5          2HG       GLN   5   6.065   1.034   3.311
   44    HG3  GLN   5          3HG       GLN   5   7.533   1.913   2.905
   45   HE21  GLN   5          1HE2      GLN   5   4.179   2.534   4.217
   46   HE22  GLN   5          2HE2      GLN   5   4.751   3.775   5.326
   47    H    TRP   6           H        TRP   6   7.774   2.676  -0.642
   48    HA   TRP   6           HA       TRP   6  10.357   2.835   0.490
   49    HB2  TRP   6          2HB       TRP   6   9.757   1.373  -1.356
   50    HB3  TRP   6          3HB       TRP   6   9.461   2.747  -2.405
   51    HD1  TRP   6           HD1      TRP   6  12.502   1.521  -0.321
   52    HE1  TRP   6           HE1      TRP   6  14.614   1.673  -1.786
   53    HE3  TRP   6           HE3      TRP   6  10.417   3.483  -4.579
   54    HZ2  TRP   6           HZ2      TRP   6  15.303   2.496  -4.452
   55    HZ3  TRP   6           HZ3      TRP   6  11.836   3.950  -6.567
   56    HH2  TRP   6           HH2      TRP   6  14.272   3.466  -6.516
   57    H    GLN   7           H        GLN   7   8.917   5.128  -1.885
   58    HA   GLN   7           HA       GLN   7  11.054   7.002  -1.939
   59    HB2  GLN   7          2HB       GLN   7   8.057   7.312  -2.351
   60    HB3  GLN   7          3HB       GLN   7   9.192   8.632  -2.617
   61    HG2  GLN   7          2HG       GLN   7   9.467   5.960  -4.063
   62    HG3  GLN   7          3HG       GLN   7   8.474   7.280  -4.665
   63   HE21  GLN   7          1HE2      GLN   7   9.494   9.031  -5.757
   64   HE22  GLN   7          2HE2      GLN   7  11.244   9.089  -5.940
   65    H    SER   8           H        SER   8   8.177   6.995   0.218
   66    HA   SER   8           HA       SER   8   8.900   9.307   1.756
   67    HB2  SER   8          2HB       SER   8   6.651   8.279   1.765
   68    HB3  SER   8          3HB       SER   8   7.304   6.847   2.578
   69    HG   SER   8           HG       SER   8   7.104   9.510   3.571
   70    H    LYS   9           H        LYS   9   9.582   5.844   2.315
   71    HA   LYS   9           HA       LYS   9  11.037   6.136   4.749
   72    HB2  LYS   9          2HB       LYS   9   9.991   4.045   3.831
   73    HB3  LYS   9          3HB       LYS   9  11.344   3.913   2.694
   74    HG2  LYS   9          2HG       LYS   9  12.923   3.679   4.557
   75    HG3  LYS   9          3HG       LYS   9  11.663   4.099   5.725
   76    HD2  LYS   9          2HD       LYS   9  12.017   1.728   5.821
   77    HD3  LYS   9          3HD       LYS   9  10.414   2.036   5.141
   78    HE2  LYS   9          2HE       LYS   9  11.334   1.662   2.847
   79    HE3  LYS   9          3HE       LYS   9  12.931   1.360   3.547
   80    HZ1  LYS   9          1HZ       LYS   9  11.966  -0.548   4.733
   81    HZ2  LYS   9          2HZ       LYS   9  11.763  -0.722   3.126
   82    HZ3  LYS   9          3HZ       LYS   9  10.502  -0.278   4.061
   83    H    ILE  10           H        ILE  10  12.284   6.080   1.380
   84    HA   ILE  10           HA       ILE  10  15.044   6.404   1.947
   85    HB   ILE  10           HB       ILE  10  13.347   7.489  -0.321
   86   HG12  ILE  10          2HG1      ILE  10  15.536   5.395  -0.484
   87   HG13  ILE  10          3HG1      ILE  10  13.925   4.927   0.028
   88   HG21  ILE  10          1HG2      ILE  10  16.379   7.651   0.011
   89   HG22  ILE  10          2HG2      ILE  10  15.542   7.924  -1.520
   90   HG23  ILE  10          3HG2      ILE  10  15.253   9.019  -0.186
   91   HD11  ILE  10          1HD1      ILE  10  14.445   4.678  -2.447
   92   HD12  ILE  10          2HD1      ILE  10  12.940   5.528  -2.054
   93   HD13  ILE  10          3HD1      ILE  10  14.368   6.424  -2.590
   94    H    ARG  11           H        ARG  11  12.579   9.002   1.675
   95    HA   ARG  11           HA       ARG  11  14.389  11.152   2.317
   96    HB2  ARG  11          2HB       ARG  11  11.353  10.952   2.486
   97    HB3  ARG  11          3HB       ARG  11  12.263  12.432   2.817
   98    HG2  ARG  11          2HG       ARG  11  13.275  12.325   0.543
   99    HG3  ARG  11          3HG       ARG  11  12.280  10.904   0.176
  100    HD2  ARG  11          2HD       ARG  11  10.230  12.223   0.515
  101    HD3  ARG  11          3HD       ARG  11  11.201  13.628   1.004
  102    HE   ARG  11           HE       ARG  11  11.897  12.622  -1.646
  103   HH11  ARG  11          1HH1      ARG  11   9.653  14.761  -0.033
  104   HH12  ARG  11          2HH1      ARG  11   9.404  15.731  -1.459
  105   HH21  ARG  11          1HH2      ARG  11  11.551  13.889  -3.427
  106   HH22  ARG  11          2HH2      ARG  11  10.452  15.234  -3.333
  107    H    ARG  12           H        ARG  12  12.697   8.977   4.449
  108    HA   ARG  12           HA       ARG  12  13.481  10.467   6.904
  109    HB2  ARG  12          2HB       ARG  12  12.174   7.741   6.492
  110    HB3  ARG  12          3HB       ARG  12  12.590   8.424   8.070
  111    HG2  ARG  12          2HG       ARG  12  11.186  10.424   7.572
  112    HG3  ARG  12          3HG       ARG  12  10.667   9.684   6.054
  113    HD2  ARG  12          2HD       ARG  12  10.278   8.436   8.803
  114    HD3  ARG  12          3HD       ARG  12   9.071   9.452   8.002
  115    HE   ARG  12           HE       ARG  12   9.445   7.601   6.084
  116   HH11  ARG  12          1HH1      ARG  12   8.771   7.178   9.487
  117   HH12  ARG  12          2HH1      ARG  12   7.939   5.667   9.239
  118   HH21  ARG  12          1HH2      ARG  12   8.353   5.647   5.823
  119   HH22  ARG  12          2HH2      ARG  12   7.734   4.838   7.216
  120    H    THR  13           H        THR  13  14.550   7.479   5.271
  121    HA   THR  13           HA       THR  13  16.650   6.780   7.032
  122    HB   THR  13           HB       THR  13  16.364   6.308   4.045
  123    HG1  THR  13          1HG       THR  13  15.648   4.303   4.784
  124   HG21  THR  13          1HG2      THR  13  17.901   4.365   4.424
  125   HG22  THR  13          2HG2      THR  13  18.254   4.991   6.051
  126   HG23  THR  13          3HG2      THR  13  18.720   5.916   4.605
  127    H    ASN  14           H        ASN  14  16.702   9.103   4.320
  128    HA   ASN  14           HA       ASN  14  19.437   9.586   4.118
  129    HB2  ASN  14          2HB       ASN  14  16.988  11.211   3.558
  130    HB3  ASN  14          3HB       ASN  14  18.501  12.098   3.704
  131   HD21  ASN  14          1HD2      ASN  14  16.984   9.383   1.922
  132   HD22  ASN  14          2HD2      ASN  14  18.063   9.571   0.533
  133    HA   PRO  15           HA       PRO  15  19.786  12.801   7.598
  134    HB2  PRO  15          2HB       PRO  15  17.739  13.146   9.430
  135    HB3  PRO  15          3HB       PRO  15  17.983  14.135   7.960
  136    HG2  PRO  15          2HG       PRO  15  16.132  11.774   8.338
  137    HG3  PRO  15          3HG       PRO  15  15.781  13.347   7.557
  138    HD2  PRO  15          2HD       PRO  15  16.397  11.162   6.076
  139    HD3  PRO  15          3HD       PRO  15  17.007  12.775   5.622
  140    H    ILE  16           H        ILE  16  17.710  10.018   8.551
  141    HA   ILE  16           HA       ILE  16  18.918   9.465  11.062
  142    HB   ILE  16           HB       ILE  16  17.489   7.679   9.066
  143   HG12  ILE  16          2HG1      ILE  16  16.581   8.901  11.719
  144   HG13  ILE  16          3HG1      ILE  16  16.224   9.588  10.143
  145   HG21  ILE  16          1HG2      ILE  16  18.884   6.202  10.463
  146   HG22  ILE  16          2HG2      ILE  16  18.266   6.989  11.935
  147   HG23  ILE  16          3HG2      ILE  16  17.198   6.024  10.894
  148   HD11  ILE  16          1HD1      ILE  16  15.021   7.438   9.538
  149   HD12  ILE  16          2HD1      ILE  16  15.184   6.958  11.245
  150   HD13  ILE  16          3HD1      ILE  16  14.278   8.415  10.820
  151    H    PHE  17           H        PHE  17  19.923   8.370   7.823
  152    HA   PHE  17           HA       PHE  17  22.158   6.776   8.778
  153    HB2  PHE  17          2HB       PHE  17  20.944   6.345   6.667
  154    HB3  PHE  17          3HB       PHE  17  21.497   7.886   6.023
  155    HD1  PHE  17           HD1      PHE  17  23.460   7.901   4.701
  156    HD2  PHE  17           HD2      PHE  17  22.833   4.689   7.515
  157    HE1  PHE  17           HE1      PHE  17  25.486   6.748   3.844
  158    HE2  PHE  17           HE2      PHE  17  24.868   3.547   6.663
  159    HZ   PHE  17           HZ       PHE  17  26.194   4.573   4.825
  160    H    CYS  18           H        CYS  18  21.910  10.044   7.263
  161    HA   CYS  18           HA       CYS  18  24.702  10.597   7.264
  162    HB2  CYS  18          2HB       CYS  18  22.239  12.381   7.198
  163    HB3  CYS  18          3HB       CYS  18  23.892  13.004   7.040
  164    HG   CYS  18           HG       CYS  18  22.767  12.831   4.661
  165    H    ILE  19           H        ILE  19  22.289  11.243   9.817
  166    HA   ILE  19           HA       ILE  19  24.511  11.817  11.710
  167    HB   ILE  19           HB       ILE  19  23.043  13.502  12.847
  168   HG12  ILE  19          2HG1      ILE  19  21.590  13.680  10.167
  169   HG13  ILE  19          3HG1      ILE  19  20.891  13.008  11.641
  170   HG21  ILE  19          1HG2      ILE  19  24.040  14.285  10.080
  171   HG22  ILE  19          2HG2      ILE  19  23.915  15.325  11.511
  172   HG23  ILE  19          3HG2      ILE  19  25.082  14.007  11.490
  173   HD11  ILE  19          1HD1      ILE  19  21.202  15.220  12.771
  174   HD12  ILE  19          2HD1      ILE  19  21.722  15.896  11.205
  175   HD13  ILE  19          3HD1      ILE  19  20.088  15.245  11.388
  176    H    ARG  20           H        ARG  20  24.542  10.474  13.292
  177    HA   ARG  20           HA       ARG  20  22.460   8.579  13.941
  178    HB2  ARG  20          2HB       ARG  20  24.882   9.483  15.567
  179    HB3  ARG  20          3HB       ARG  20  23.842   8.111  15.971
  180    HG2  ARG  20          2HG       ARG  20  24.436   7.010  13.821
  181    HG3  ARG  20          3HG       ARG  20  25.525   8.363  13.437
  182    HD2  ARG  20          2HD       ARG  20  26.799   7.908  15.526
  183    HD3  ARG  20          3HD       ARG  20  25.741   6.521  15.855
  184    HE   ARG  20           HE       ARG  20  26.803   6.162  13.257
  185   HH11  ARG  20          1HH1      ARG  20  28.064   6.203  16.514
  186   HH12  ARG  20          2HH1      ARG  20  29.410   5.168  16.113
  187   HH21  ARG  20          1HH2      ARG  20  28.531   4.852  12.794
  188   HH22  ARG  20          2HH2      ARG  20  29.656   4.424  14.050
  189    H    ARG  21           H        ARG  21  23.317  11.668  15.350
  190    HA   ARG  21           HA       ARG  21  21.318  11.678  17.496
  191    HB2  ARG  21          2HB       ARG  21  22.872  13.945  16.151
  192    HB3  ARG  21          3HB       ARG  21  21.832  14.136  17.568
  193    HG2  ARG  21          2HG       ARG  21  23.263  12.549  18.843
  194    HG3  ARG  21          3HG       ARG  21  24.343  12.405  17.442
  195    HD2  ARG  21          2HD       ARG  21  24.794  14.839  17.535
  196    HD3  ARG  21          3HD       ARG  21  23.711  14.983  18.935
  197    HE   ARG  21           HE       ARG  21  25.718  13.007  19.476
  198   HH11  ARG  21          1HH1      ARG  21  25.474  16.484  19.243
  199   HH12  ARG  21          2HH1      ARG  21  26.810  16.747  20.331
  200   HH21  ARG  21          1HH2      ARG  21  27.411  13.393  20.847
  201   HH22  ARG  21          2HH2      ARG  21  27.877  15.028  21.211
  202    H    ALA  22           H        ALA  22  19.404  12.833  17.580
  203    HA   ALA  22           HA       ALA  22  18.217  13.885  15.057
  204    HB1  ALA  22          1HB       ALA  22  16.837  12.013  17.031
  205    HB2  ALA  22          2HB       ALA  22  16.084  12.780  15.616
  206    HB3  ALA  22          3HB       ALA  22  17.374  11.586  15.392
  207    H    SER  23           H        SER  23  16.443  15.343  15.425
  208    HA   SER  23           HA       SER  23  15.961  17.471  16.067
  209    HB2  SER  23          2HB       SER  23  14.417  15.978  17.356
  210    HB3  SER  23          3HB       SER  23  15.434  16.245  18.780
  211    HG   SER  23           HG       SER  23  13.672  17.740  18.630
  212    HA   PRO  24           HA       PRO  24  20.100  18.307  18.054
  213    HB2  PRO  24          2HB       PRO  24  21.192  19.899  16.106
  214    HB3  PRO  24          3HB       PRO  24  21.206  18.113  16.044
  215    HG2  PRO  24          2HG       PRO  24  19.243  20.005  14.713
  216    HG3  PRO  24          3HG       PRO  24  20.136  18.636  13.973
  217    HD2  PRO  24          2HD       PRO  24  17.576  18.369  14.842
  218    HD3  PRO  24          3HD       PRO  24  18.762  17.043  15.039
  219    H    THR  25           H        THR  25  21.145  20.418  18.581
  220    HA   THR  25           HA       THR  25  19.241  22.675  18.968
  221    HB   THR  25           HB       THR  25  19.183  21.188  20.919
  222    HG1  THR  25          1HG       THR  25  19.408  22.865  22.372
  223   HG21  THR  25          1HG2      THR  25  21.005  21.054  22.504
  224   HG22  THR  25          2HG2      THR  25  22.057  22.037  21.469
  225   HG23  THR  25          3HG2      THR  25  21.561  20.409  20.955