*HEADER    ANTIMICROBIAL PROTEIN                   01-JUN-18   6GNZ              
*TITLE     PLANTARICIN S-A IN 100 MM DPC MICELLES. THIS IS THE ALPHA PART OF THE 
*TITLE    2 BACTERIOCIN PLANTARICIN S.                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLANTARICIN S ALPHA PROTEIN;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: LACTOBACILLUS PLANTARUM;                        
*SOURCE   4 ORGANISM_TAXID: 1590                                                 
*KEYWDS    ANTIMICROBIAL PROTEIN BACTERIOCIN MENBRANE INTERACTING PEPTIDE,       
*KEYWDS   2 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.EKBLAD,P.E.KRISTIANSEN                                              
*REVDAT   1   06-MAR-19 6GNZ    0                                                
# Restraints file 1: test.upl
  7 ASN  HB2     8 MET  H       4.65            #peak     3 #SUP  0.53  #QF  0.53
  7 ASN  HB3     8 MET  H       4.65            #peak     4 #SUP  0.88  #QF  0.88
  8 MET  H       8 MET  HG3     4.89            #peak     7 #SUP  0.87  #QF  0.84
  8 MET  HG3     9 GLY  H       5.43            #peak     7 #SUP  0.87  #QF  0.84
  8 MET  H       8 MET  HG2     4.89            #peak     8 #SUP  0.95  #QF  0.92
  8 MET  HG2     9 GLY  H       5.43            #peak     8 #SUP  0.95  #QF  0.92
 11 TYR  H      11 TYR  HB2     3.72            #peak     9 #SUP  0.91  #QF  0.87
  6 TYR  H       6 TYR  HB2     3.87            #peak    10 #SUP  0.73  #QF  0.73
  3 LYS  QE      4 LEU  H       4.26            #peak    15 #SUP  0.88  #QF  0.27
 10 HIS  H      10 HIS  QB      3.56            #peak    16 #SUP  0.68  #QF  0.68
 18 PHE  QB     19 GLY  H       4.19            #peak    18 #SUP  0.79  #QF  0.79
 18 PHE  H      18 PHE  QB      3.61            #peak    19 #SUP  0.87  #QF  0.87
 11 TYR  H      11 TYR  HB3     4.12            #peak    20 #SUP  0.64  #QF  0.53
 11 TYR  HB3    12 ALA  H       4.45            #peak    20 #SUP  0.64  #QF  0.53
 10 HIS  QB     11 TYR  H       4.19            #peak    21 #SUP  0.79  #QF  0.79
  6 TYR  H       6 TYR  HB3     4.05            #peak    22 #SUP  0.85  #QF  0.85
 22 ALA  H      23 TRP  HB3     5.50            #peak    25 #SUP  0.81  #QF  0.81
 22 ALA  H      23 TRP  HB2     4.84            #peak    26 #SUP  0.87  #QF  0.87
 23 TRP  HB2    24 ALA  H       3.88            #peak    27 #SUP  0.85  #QF  0.85
 23 TRP  HB3    24 ALA  H       3.91            #peak    28 #SUP  0.75  #QF  0.75
 14 LYS  QE     18 PHE  QE      5.00            #peak    44 #SUP  0.86  #QF  0.50
 10 HIS  QB     11 TYR  QD      3.65            #peak    47 #SUP  0.60  #QF  0.60
 10 HIS  QB     11 TYR  QE      4.71            #peak    62 #SUP  0.95  #QF  0.95
  6 TYR  HB2    10 HIS  HD2     5.50            #peak    64 #SUP  0.48  #QF  0.48
  6 TYR  HB3    10 HIS  HD2     5.50            #peak    66 #SUP  0.73  #QF  0.73
  8 MET  QE     11 TYR  QD      5.48            #peak    69 #SUP  0.91  #QF  0.91
  4 LEU  HG      6 TYR  QE      5.50            #peak    73 #SUP  0.46  #QF  0.46
  5 ALA  QB      6 TYR  QE      5.31            #peak    74 #SUP  0.74  #QF  0.74
 11 TYR  QE     15 ALA  QB      5.50            #peak    75 #SUP  0.75  #QF  0.75
 22 ALA  QB     23 TRP  HZ3     4.84            #peak    77 #SUP  0.74  #QF  0.74
  4 LEU  HB3     6 TYR  QD      5.26            #peak    78 #SUP  0.58  #QF  0.58
  4 LEU  HG      6 TYR  QD      5.38            #peak    79 #SUP  0.86  #QF  0.33
  5 ALA  QB      6 TYR  QD      4.98            #peak    80 #SUP  0.72  #QF  0.72
  4 LEU  QD2     6 TYR  QE      5.50            #peak    81 #SUP  0.52  #QF  0.52
  4 LEU  QD2     6 TYR  QD      5.50            #peak    83 #SUP  0.53  #QF  0.53
  4 LEU  QD1     6 TYR  QD      5.50            #peak    84 #SUP  0.68  #QF  0.68
 23 TRP  HH2    27 ALA  QB      4.93            #peak    85 #SUP  0.82  #QF  0.82
 23 TRP  HZ3    27 ALA  QB      5.22            #peak    87 #SUP  0.73  #QF  0.73
 23 TRP  HZ3    26 LEU  QD2     4.28            #peak    88 #SUP  0.62  #QF  0.62
 23 TRP  HD1    27 ALA  QB      4.76            #peak    89 #SUP  0.79  #QF  0.79
 17 ILE  QG2    18 PHE  QD      4.07            #peak    90 #SUP  0.95  #QF  0.88
 17 ILE  QG2    18 PHE  QE      4.64            #peak    90 #SUP  0.95  #QF  0.88
 23 TRP  HE3    26 LEU  QD2     4.38            #peak    91 #SUP  0.79  #QF  0.79
 23 TRP  HE3    27 ALA  QB      4.40            #peak    92 #SUP  0.91  #QF  0.65
 23 TRP  H      24 ALA  QB      5.50            #peak    93 #SUP  0.77  #QF  0.43
 23 TRP  H      26 LEU  HB3     5.50            #peak    93 #SUP  0.77  #QF  0.43
 22 ALA  QB     23 TRP  H       4.64            #peak    94 #SUP  0.99  #QF  0.32
 22 ALA  QB     23 TRP  HE3     5.07            #peak    94 #SUP  0.99  #QF  0.32
 14 LYS  HG2    18 PHE  QD      4.54            #peak    97 #SUP  0.98  #QF  0.85
 14 LYS  HG2    18 PHE  QE      4.80            #peak    97 #SUP  0.98  #QF  0.85
 14 LYS  HG3    18 PHE  QD      4.54            #peak    98 #SUP  0.92  #QF  0.79
 14 LYS  HG3    18 PHE  QE      4.80            #peak    98 #SUP  0.92  #QF  0.79
 11 TYR  QD     15 ALA  QB      4.48            #peak   101 #SUP  0.69  #QF  0.69
 11 TYR  QD     14 LYS  QD      5.50            #peak   102 #SUP  0.31  #QF  0.31
  4 LEU  QD1     6 TYR  QE      5.50            #peak   104 #SUP  0.75  #QF  0.75
 17 ILE  H      17 ILE  QG2     4.12            #peak   105 #SUP  0.91  #QF  0.91
 26 LEU  QD2    27 ALA  H       4.90            #peak   106 #SUP  0.97  #QF  0.87
 26 LEU  QD1    27 ALA  H       5.27            #peak   106 #SUP  0.97  #QF  0.87
 27 ALA  H      27 ALA  QB      3.79            #peak   107 #SUP  0.76  #QF  0.76
 25 LEU  QD2    26 LEU  H       5.50            #peak   108 #SUP  0.95  #QF  0.52
 25 LEU  QD1    26 LEU  H       5.50            #peak   109 #SUP  0.98  #QF  0.63
 26 LEU  H      26 LEU  QD2     5.47            #peak   110 #SUP  1.00  #QF  0.56
 26 LEU  H      26 LEU  QD1     5.50            #peak   110 #SUP  1.00  #QF  0.56
 20 LEU  QD1    21 ALA  H       5.19            #peak   112 #SUP  0.78  #QF  0.78
 20 LEU  QD2    21 ALA  H       4.91            #peak   113 #SUP  0.76  #QF  0.76
 16 THR  H      17 ILE  QG2     4.40            #peak   114 #SUP  0.68  #QF  0.68
 16 THR  H      16 THR  QG2     4.44            #peak   115 #SUP  0.87  #QF  0.87
  5 ALA  QB      6 TYR  H       4.25            #peak   116 #SUP  0.70  #QF  0.70
 16 THR  QG2    17 ILE  H       4.48            #peak   117 #SUP  0.97  #QF  0.93
 17 ILE  H      17 ILE  HG13    5.11            #peak   117 #SUP  0.97  #QF  0.93
  4 LEU  H       4 LEU  QD2     5.31            #peak   118 #SUP  0.59  #QF  0.59
  4 LEU  H       4 LEU  QD1     5.31            #peak   119 #SUP  0.71  #QF  0.71
 20 LEU  H      20 LEU  QD1     4.61            #peak   120 #SUP  0.81  #QF  0.81
 20 LEU  H      20 LEU  QD2     4.65            #peak   121 #SUP  0.83  #QF  0.83
  4 LEU  QD1     5 ALA  H       4.66            #peak   122 #SUP  0.32  #QF  0.32
  4 LEU  QD2     5 ALA  H       4.66            #peak   124 #SUP  0.52  #QF  0.52
 17 ILE  QG2    18 PHE  H       4.23            #peak   125 #SUP  1.00  #QF  0.83
  5 ALA  QB      7 ASN  H       5.41            #peak   126 #SUP  0.78  #QF  0.26
  5 ALA  H       5 ALA  QB      3.74            #peak   127 #SUP  0.75  #QF  0.75
  5 ALA  QB     10 HIS  H       5.50            #peak   130 #SUP  0.96  #QF  0.34
 16 THR  QG2    20 LEU  H       5.50            #peak   130 #SUP  0.96  #QF  0.34
  3 LYS  H       3 LYS  HG3     4.77            #peak   132 #SUP  0.81  #QF  0.81
  3 LYS  H       3 LYS  HG2     4.77            #peak   133 #SUP  0.91  #QF  0.91
 15 ALA  QB     19 GLY  H       5.50            #peak   134 #SUP  0.77  #QF  0.60
 19 GLY  H      21 ALA  QB      5.50            #peak   134 #SUP  0.77  #QF  0.60
  9 GLY  H      12 ALA  QB      4.97            #peak   136 #SUP  0.86  #QF  0.86
 15 ALA  H      15 ALA  QB      3.62            #peak   138 #SUP  0.76  #QF  0.76
 24 ALA  H      24 ALA  QB      3.30            #peak   141 #SUP  0.81  #QF  0.81
 15 ALA  QB     20 LEU  H       4.05            #peak   142 #SUP  0.43  #QF  0.43
 14 LYS  H      15 ALA  QB      5.48            #peak   143 #SUP  0.99  #QF  0.93
 18 PHE  H      21 ALA  QB      5.48            #peak   143 #SUP  0.99  #QF  0.93
 12 ALA  QB     13 GLY  H       3.43            #peak   144 #SUP  0.81  #QF  0.81
 16 THR  QG2    21 ALA  H       5.50            #peak   149 #SUP  0.85  #QF  0.85
 21 ALA  H      24 ALA  QB      4.67            #peak   151 #SUP  0.54  #QF  0.54
 12 ALA  H      12 ALA  QB      3.82            #peak   152 #SUP  0.87  #QF  0.87
 21 ALA  H      21 ALA  QB      3.70            #peak   153 #SUP  0.65  #QF  0.65
 20 LEU  HB3    21 ALA  H       5.11            #peak   154 #SUP  0.66  #QF  0.66
 20 LEU  HB3    22 ALA  H       5.08            #peak   156 #SUP  0.43  #QF  0.43
 22 ALA  H      22 ALA  QB      3.47            #peak   159 #SUP  0.94  #QF  0.47
 15 ALA  QB     16 THR  H       4.00            #peak   160 #SUP  0.83  #QF  0.83
 22 ALA  H      24 ALA  QB      5.50            #peak   161 #SUP  0.82  #QF  0.82
 12 ALA  QB     16 THR  H       5.50            #peak   162 #SUP  0.22  #QF  0.22
 11 TYR  H      12 ALA  QB      4.33            #peak   163 #SUP  0.30  #QF  0.30
 15 ALA  QB     17 ILE  H       4.92            #peak   166 #SUP  0.76  #QF  0.76
 17 ILE  H      17 ILE  HG12    5.11            #peak   167 #SUP  0.70  #QF  0.70
  4 LEU  HB3     6 TYR  H       4.14            #peak   168 #SUP  0.57  #QF  0.57
  4 LEU  HG      6 TYR  H       5.50            #peak   169 #SUP  0.98  #QF  0.84
 25 LEU  HB3    27 ALA  H       5.50            #peak   171 #SUP  0.61  #QF  0.23
 22 ALA  QB     27 ALA  H       5.24            #peak   172 #SUP  0.75  #QF  0.75
 26 LEU  HB3    27 ALA  H       4.53            #peak   173 #SUP  0.83  #QF  0.83
 24 ALA  QB     25 LEU  H       5.50            #peak   175 #SUP  0.91  #QF  0.40
 26 LEU  H      26 LEU  HB3     3.80            #peak   176 #SUP  0.92  #QF  0.50
 21 ALA  QB     25 LEU  H       4.41            #peak   177 #SUP  0.55  #QF  0.38
 21 ALA  QB     26 LEU  H       4.95            #peak   177 #SUP  0.55  #QF  0.38
 25 LEU  H      25 LEU  HB3     4.07            #peak   178 #SUP  0.91  #QF  0.73
 25 LEU  HB3    26 LEU  H       4.40            #peak   178 #SUP  0.91  #QF  0.73
  3 LYS  H       3 LYS  QD      5.23            #peak   183 #SUP  0.65  #QF  0.47
  3 LYS  H       4 LEU  HB2     5.50            #peak   183 #SUP  0.65  #QF  0.47
  4 LEU  H       4 LEU  HB2     3.72            #peak   188 #SUP  0.88  #QF  0.83
 10 HIS  HE1    14 LYS  QD      4.03            #peak   188 #SUP  0.88  #QF  0.83
 20 LEU  H      20 LEU  HB3     4.18            #peak   190 #SUP  0.83  #QF  0.83
  4 LEU  HB3     5 ALA  H       4.50            #peak   191 #SUP  0.87  #QF  0.81
 20 LEU  HB3    24 ALA  H       5.08            #peak   191 #SUP  0.87  #QF  0.81
  4 LEU  HG      5 ALA  H       4.60            #peak   193 #SUP  0.96  #QF  0.89
 14 LYS  H      14 LYS  QD      5.22            #peak   194 #SUP  0.94  #QF  0.66
  1 ARG  QB      2 ASN  H       4.47            #peak   197 #SUP  0.83  #QF  0.83
  8 MET  H       8 MET  QB      3.80            #peak   198 #SUP  0.94  #QF  0.83
  8 MET  QB      9 GLY  H       4.21            #peak   198 #SUP  0.94  #QF  0.83
  8 MET  H       8 MET  QE      5.43            #peak   199 #SUP  0.93  #QF  0.84
  4 LEU  H       8 MET  QB      5.29            #peak   200 #SUP  0.60  #QF  0.60
  7 ASN  H       8 MET  QB      5.50            #peak   201 #SUP  0.79  #QF  0.36
  8 MET  QB     10 HIS  H       5.50            #peak   202 #SUP  0.90  #QF  0.90
  8 MET  QB     12 ALA  H       5.50            #peak   203 #SUP  0.70  #QF  0.70
 20 LEU  HB2    21 ALA  H       4.59            #peak   204 #SUP  0.53  #QF  0.53
 20 LEU  HG     21 ALA  H       4.95            #peak   205 #SUP  0.73  #QF  0.73
 16 THR  H      20 LEU  HB2     4.75            #peak   206 #SUP  0.82  #QF  0.82
 14 LYS  HB3    16 THR  H       5.50            #peak   207 #SUP  0.94  #QF  0.69
 14 LYS  HB2    16 THR  H       5.50            #peak   207 #SUP  0.94  #QF  0.69
 16 THR  H      17 ILE  HB      5.50            #peak   207 #SUP  0.94  #QF  0.69
 14 LYS  H      14 LYS  HB3     3.77            #peak   209 #SUP  0.92  #QF  0.92
 20 LEU  H      20 LEU  HG      4.39            #peak   210 #SUP  0.78  #QF  0.78
 20 LEU  H      20 LEU  HB2     4.06            #peak   211 #SUP  0.49  #QF  0.49
 20 LEU  HG     24 ALA  H       4.32            #peak   212 #SUP  0.21  #QF  0.21
 14 LYS  HB2    15 ALA  H       5.50            #peak   213 #SUP  0.95  #QF  0.42
 21 ALA  H      25 LEU  HB2     5.50            #peak   215 #SUP  0.48  #QF  0.48
 17 ILE  H      17 ILE  HB      3.96            #peak   216 #SUP  0.70  #QF  0.70
 25 LEU  H      25 LEU  HB2     3.71            #peak   217 #SUP  0.83  #QF  0.65
 25 LEU  HB2    26 LEU  H       4.02            #peak   217 #SUP  0.83  #QF  0.65
  1 ARG  QB      1 ARG  HE      4.75            #peak   218 #SUP  0.85  #QF  0.85
 26 LEU  H      26 LEU  HG      4.28            #peak   219 #SUP  0.88  #QF  0.88
 26 LEU  HG     27 ALA  H       4.22            #peak   220 #SUP  0.81  #QF  0.81
 25 LEU  HB2    27 ALA  H       5.50            #peak   221 #SUP  0.63  #QF  0.63
 14 LYS  HB3    18 PHE  QD      4.44            #peak   224 #SUP  0.68  #QF  0.68
 14 LYS  QD     18 PHE  QD      5.50            #peak   225 #SUP  0.93  #QF  0.73
 14 LYS  QD     18 PHE  QE      5.50            #peak   225 #SUP  0.93  #QF  0.73
  8 MET  H      10 HIS  QB      5.50            #peak   227 #SUP  0.84  #QF  0.58
  9 GLY  H      10 HIS  QB      5.50            #peak   227 #SUP  0.84  #QF  0.58
 10 HIS  HE1    14 LYS  QE      5.09            #peak   230 #SUP  0.59  #QF  0.59
  5 ALA  H       6 TYR  HB2     5.02            #peak   232 #SUP  0.62  #QF  0.62
  6 TYR  HB2    10 HIS  H       5.50            #peak   233 #SUP  0.69  #QF  0.69
  6 TYR  H      10 HIS  QB      5.50            #peak   234 #SUP  0.69  #QF  0.60
 10 HIS  QB     14 LYS  QZ      5.50            #peak   234 #SUP  0.69  #QF  0.60
 17 ILE  HA     18 PHE  QD      5.50            #peak   236 #SUP  0.96  #QF  0.96
 23 TRP  HD1    24 ALA  HA      5.50            #peak   238 #SUP  0.80  #QF  0.80
 16 THR  HB     17 ILE  H       4.15            #peak   242 #SUP  0.65  #QF  0.65
 23 TRP  HA     27 ALA  H       4.37            #peak   243 #SUP  0.95  #QF  0.35
 23 TRP  HA     23 TRP  HE3     4.00            #peak   247 #SUP  0.99  #QF  0.35
 15 ALA  HA     18 PHE  QD      4.68            #peak   248 #SUP  0.84  #QF  0.84
 23 TRP  HA     23 TRP  HD1     4.41            #peak   249 #SUP  0.87  #QF  0.87
 18 PHE  HA     18 PHE  QD      3.91            #peak   250 #SUP  0.77  #QF  0.77
 14 LYS  HA     18 PHE  QD      5.26            #peak   251 #SUP  0.60  #QF  0.45
 14 LYS  HA     18 PHE  QE      5.50            #peak   251 #SUP  0.60  #QF  0.45
 11 TYR  QD     15 ALA  HA      5.50            #peak   253 #SUP  0.44  #QF  0.44
  5 ALA  HA      6 TYR  QD      5.50            #peak   254 #SUP  0.91  #QF  0.91
 11 TYR  HA     11 TYR  QD      3.80            #peak   257 #SUP  0.83  #QF  0.83
  8 MET  HA     11 TYR  QD      4.55            #peak   258 #SUP  0.69  #QF  0.69
  6 TYR  HA      6 TYR  QD      4.00            #peak   261 #SUP  0.75  #QF  0.75
  6 TYR  QD     10 HIS  HA      5.47            #peak   262 #SUP  0.49  #QF  0.49
 11 TYR  HA     11 TYR  QE      5.02            #peak   263 #SUP  0.86  #QF  0.86
 23 TRP  HA     23 TRP  HZ3     4.74            #peak   265 #SUP  0.74  #QF  0.74
  6 TYR  HA      6 TYR  QE      4.97            #peak   266 #SUP  0.69  #QF  0.69
 10 HIS  HA     10 HIS  HD2     5.50            #peak   267 #SUP  0.87  #QF  0.87
 16 THR  HA     19 GLY  H       5.15            #peak   272 #SUP  0.74  #QF  0.74
 19 GLY  HA3    20 LEU  H       3.56            #peak   274 #SUP  0.41  #QF  0.41
 15 ALA  HA     19 GLY  H       4.12            #peak   276 #SUP  0.83  #QF  0.83
 11 TYR  HA     14 LYS  H       4.05            #peak   290 #SUP  0.90  #QF  0.40
 21 ALA  HA     24 ALA  H       4.40            #peak   292 #SUP  0.79  #QF  0.61
 15 ALA  HA     18 PHE  H       4.36            #peak   293 #SUP  0.98  #QF  0.96
 16 THR  HA     20 LEU  H       3.44            #peak   295 #SUP  0.91  #QF  0.23
 12 ALA  H      13 GLY  QA      5.24            #peak   298 #SUP  0.78  #QF  0.45
 16 THR  HA     21 ALA  H       5.50            #peak   298 #SUP  0.78  #QF  0.45
 15 ALA  H      16 THR  HA      5.30            #peak   300 #SUP  0.61  #QF  0.61
 13 GLY  QA     15 ALA  H       4.30            #peak   301 #SUP  0.27  #QF  0.27
  4 LEU  HA      7 ASN  H       4.42            #peak   309 #SUP  0.25  #QF  0.25
  6 TYR  HA     10 HIS  H       5.13            #peak   310 #SUP  0.94  #QF  0.79
  5 ALA  H       6 TYR  HA      5.48            #peak   312 #SUP  0.53  #QF  0.53
  8 MET  HA     11 TYR  H       4.91            #peak   314 #SUP  0.86  #QF  0.78
  8 MET  HA     12 ALA  H       5.40            #peak   314 #SUP  0.86  #QF  0.78
 18 PHE  HA     21 ALA  H       4.46            #peak   318 #SUP  0.85  #QF  0.85
  4 LEU  HA      6 TYR  H       4.83            #peak   327 #SUP  0.76  #QF  0.76
  5 ALA  HA      9 GLY  H       4.10            #peak   332 #SUP  0.70  #QF  0.70
  3 LYS  HA      8 MET  H       5.09            #peak   333 #SUP  0.71  #QF  0.71
  9 GLY  H      10 HIS  HA      5.50            #peak   334 #SUP  0.61  #QF  0.61
  4 LEU  HA      8 MET  H       5.46            #peak   335 #SUP  0.75  #QF  0.75
 19 GLY  HA3    21 ALA  H       5.50            #peak   343 #SUP  0.98  #QF  0.67
 11 TYR  QD     12 ALA  H       5.46            #peak   351 #SUP  0.87  #QF  0.87
  6 TYR  QD     10 HIS  HE1     5.50            #peak   354 #SUP  0.67  #QF  0.67
 11 TYR  H      11 TYR  QE      4.94            #peak   357 #SUP  0.81  #QF  0.81
 10 HIS  HD2    11 TYR  QD      5.25            #peak   373 #SUP  0.97  #QF  0.97
 10 HIS  HD2    11 TYR  QE      5.06            #peak   374 #SUP  0.95  #QF  0.95
  6 TYR  QD     10 HIS  HD2     5.50            #peak   393 #SUP  0.91  #QF  0.91
  6 TYR  QE     10 HIS  HD2     5.50            #peak   395 #SUP  0.83  #QF  0.83
  6 TYR  H       6 TYR  QD      4.49            #peak   402 #SUP  0.83  #QF  0.83
  6 TYR  H       6 TYR  QE      5.50            #peak   405 #SUP  0.81  #QF  0.81
 18 PHE  H      18 PHE  QD      4.50            #peak   408 #SUP  0.90  #QF  0.90
 23 TRP  HD1    24 ALA  H       5.50            #peak   409 #SUP  0.86  #QF  0.86
 11 TYR  H      11 TYR  QD      3.94            #peak   410 #SUP  0.85  #QF  0.85
 18 PHE  QD     21 ALA  H       5.50            #peak   411 #SUP  0.93  #QF  0.93
 11 TYR  QD     14 LYS  H       5.50            #peak   412 #SUP  0.51  #QF  0.51
 10 HIS  H      11 TYR  QD      5.17            #peak   413 #SUP  0.99  #QF  0.99
  5 ALA  H       6 TYR  QD      5.50            #peak   414 #SUP  0.78  #QF  0.61
 10 HIS  H      10 HIS  HD2     5.50            #peak   415 #SUP  0.81  #QF  0.81
  6 TYR  QD      7 ASN  H       4.75            #peak   416 #SUP  0.91  #QF  0.91
 23 TRP  H      24 ALA  H       4.67            #peak   418 #SUP  0.88  #QF  0.88
 22 ALA  H      23 TRP  H       3.92            #peak   419 #SUP  0.63  #QF  0.63
 22 ALA  H      25 LEU  H       5.00            #peak   420 #SUP  0.90  #QF  0.83
 22 ALA  H      26 LEU  H       5.41            #peak   420 #SUP  0.90  #QF  0.83
  8 MET  H      11 TYR  QD      5.45            #peak   426 #SUP  0.82  #QF  0.82
 18 PHE  QD     19 GLY  H       4.98            #peak   427 #SUP  0.93  #QF  0.93
 11 TYR  QD     15 ALA  H       5.50            #peak   429 #SUP  0.87  #QF  0.87
  6 TYR  H       8 MET  H       5.11            #peak   430 #SUP  0.92  #QF  0.78
  6 TYR  H       9 GLY  H       5.50            #peak   430 #SUP  0.92  #QF  0.78
  6 TYR  H       7 ASN  H       4.44            #peak   431 #SUP  0.82  #QF  0.82
  5 ALA  H       6 TYR  H       4.27            #peak   432 #SUP  0.79  #QF  0.79
 15 ALA  H      16 THR  H       4.14            #peak   433 #SUP  0.85  #QF  0.85
 18 PHE  H      19 GLY  H       4.11            #peak   436 #SUP  0.83  #QF  0.83
 16 THR  H      18 PHE  H       5.40            #peak   438 #SUP  0.88  #QF  0.72
 16 THR  H      20 LEU  H       4.56            #peak   439 #SUP  0.59  #QF  0.59
 12 ALA  H      13 GLY  H       3.62            #peak   440 #SUP  0.68  #QF  0.68
 12 ALA  H      15 ALA  H       5.49            #peak   441 #SUP  0.83  #QF  0.83
  3 LYS  H       4 LEU  H       4.74            #peak   453 #SUP  0.85  #QF  0.85
  7 ASN  H       8 MET  H       4.11            #peak   454 #SUP  0.95  #QF  0.38
  5 ALA  H       8 MET  H       5.50            #peak   458 #SUP  0.97  #QF  0.80
  5 ALA  H       9 GLY  H       5.50            #peak   458 #SUP  0.97  #QF  0.80
 19 GLY  H      20 LEU  H       4.22            #peak   462 #SUP  0.82  #QF  0.82
  9 GLY  H      10 HIS  H       4.37            #peak   463 #SUP  0.97  #QF  0.78
 14 LYS  H      15 ALA  H       4.10            #peak   466 #SUP  0.82  #QF  0.46
  4 LEU  H       5 ALA  H       4.72            #peak   467 #SUP  0.74  #QF  0.74
 17 ILE  H      18 PHE  H       4.36            #peak   471 #SUP  0.84  #QF  0.84
 10 HIS  H      11 TYR  H       3.68            #peak   473 #SUP  0.79  #QF  0.79
 10 HIS  H      12 ALA  H       4.10            #peak   474 #SUP  0.29  #QF  0.29
 14 LYS  H      14 LYS  QZ      4.80            #peak   475 #SUP  0.36  #QF  0.36
 16 THR  H      17 ILE  H       4.20            #peak   476 #SUP  0.96  #QF  0.96
  2 ASN  H       3 LYS  H       5.50            #peak   478 #SUP  0.87  #QF  0.87
 14 LYS  H      16 THR  H       3.96            #peak   480 #SUP  0.30  #QF  0.30
 23 TRP  H      25 LEU  H       4.37            #peak   485 #SUP  0.38  #QF  0.38
 23 TRP  H      27 ALA  H       5.50            #peak   488 #SUP  1.00  #QF  0.95
 23 TRP  HE3    27 ALA  H       5.50            #peak   488 #SUP  1.00  #QF  0.95
 10 HIS  HA     14 LYS  QE      5.50            #peak   503 #SUP  0.21  #QF  0.21
 15 ALA  HA     18 PHE  QB      3.61            #peak   510 #SUP  0.65  #QF  0.65
  3 LYS  QE      4 LEU  HA      5.04            #peak   511 #SUP  0.55  #QF  0.33
 18 PHE  HA     21 ALA  QB      3.78            #peak   517 #SUP  0.24  #QF  0.24
 22 ALA  QB     23 TRP  HA      3.95            #peak   520 #SUP  0.60  #QF  0.60
 14 LYS  HB3    15 ALA  HA      4.50            #peak   532 #SUP  0.58  #QF  0.58
 21 ALA  HA     24 ALA  QB      3.77            #peak   539 #SUP  0.73  #QF  0.37
  4 LEU  HA      5 ALA  QB      4.06            #peak   551 #SUP  0.33  #QF  0.33
 16 THR  HA     16 THR  QG2     3.27            #peak   553 #SUP  0.83  #QF  0.83
 20 LEU  HA     20 LEU  QD1     3.56            #peak   557 #SUP  0.32  #QF  0.32
 17 ILE  QG2    18 PHE  HA      3.66            #peak   559 #SUP  0.60  #QF  0.60
 16 THR  HA     20 LEU  QD1     3.90            #peak   566 #SUP  0.70  #QF  0.53
 26 LEU  QD1    27 ALA  HA      5.00            #peak   567 #SUP  0.87  #QF  0.82
 17 ILE  HA     17 ILE  QG2     3.93            #peak   568 #SUP  0.94  #QF  0.89
 17 ILE  HA     17 ILE  QD1     4.08            #peak   568 #SUP  0.94  #QF  0.89
 19 GLY  HA3    20 LEU  QD1     4.68            #peak   569 #SUP  0.63  #QF  0.63
 18 PHE  QB     21 ALA  QB      4.20            #peak   570 #SUP  0.73  #QF  0.73
 15 ALA  QB     18 PHE  QB      5.50            #peak   571 #SUP  0.71  #QF  0.46
  3 LYS  QE      4 LEU  HB2     5.02            #peak   575 #SUP  0.67  #QF  0.58
 17 ILE  QG2    18 PHE  QB      4.35            #peak   593 #SUP  0.94  #QF  0.94
 20 LEU  QD2    23 TRP  HB3     5.12            #peak   594 #SUP  0.74  #QF  0.74
 23 TRP  HB2    24 ALA  QB      4.83            #peak   596 #SUP  0.64  #QF  0.64
 23 TRP  HB3    24 ALA  QB      4.27            #peak   597 #SUP  0.63  #QF  0.63
 22 ALA  QB     23 TRP  HB3     5.05            #peak   598 #SUP  0.89  #QF  0.89
 22 ALA  QB     23 TRP  HB2     4.09            #peak   599 #SUP  0.70  #QF  0.70
  3 LYS  HB3     3 LYS  QE      4.14            #peak   602 #SUP  0.51  #QF  0.51
 13 GLY  QA     14 LYS  HB2     5.07            #peak   603 #SUP  0.96  #QF  0.31
 16 THR  HA     20 LEU  HG      5.44            #peak   603 #SUP  0.96  #QF  0.31
 16 THR  HA     20 LEU  HB3     4.75            #peak   605 #SUP  0.80  #QF  0.80
  8 MET  HA     12 ALA  QB      5.22            #peak   606 #SUP  0.58  #QF  0.58
  8 MET  QB     12 ALA  QB      5.50            #peak   610 #SUP  0.93  #QF  0.25
  8 MET  QE     12 ALA  QB      5.50            #peak   611 #SUP  0.85  #QF  0.85
  8 MET  QE     15 ALA  QB      5.50            #peak   612 #SUP  0.43  #QF  0.43
 22 ALA  QB     26 LEU  QD2     2.78            #peak   626 #SUP  0.53  #QF  0.53
 15 ALA  QB     20 LEU  QD1     4.59            #peak   627 #SUP  0.50  #QF  0.30
 21 ALA  QB     25 LEU  QD2     5.50            #peak   627 #SUP  0.50  #QF  0.30
 26 LEU  HB3    27 ALA  QB      3.94            #peak   629 #SUP  0.38  #QF  0.38
 20 LEU  QD2    24 ALA  QB      5.25            #peak   630 #SUP  0.93  #QF  0.27
 26 LEU  HB3    26 LEU  QD2     3.59            #peak   631 #SUP  0.99  #QF  0.98
 21 ALA  QB     25 LEU  QD1     5.50            #peak   633 #SUP  0.82  #QF  0.28
 21 ALA  QB     25 LEU  HB2     3.04            #peak   637 #SUP  0.28  #QF  0.28
 16 THR  QG2    20 LEU  QD2     3.19            #peak   650 #SUP  0.98  #QF  0.55
 16 THR  QG2    20 LEU  QD1     2.99            #peak   651 #SUP  0.67  #QF  0.67
 17 ILE  HB     17 ILE  QD1     3.54            #peak   658 #SUP  0.98  #QF  0.78
 20 LEU  HB2    20 LEU  QD1     3.52            #peak   659 #SUP  0.78  #QF  0.78
 20 LEU  HB3    20 LEU  QD2     3.17            #peak   665 #SUP  0.99  #QF  0.45
 16 THR  QG2    20 LEU  HB2     4.21            #peak   668 #SUP  0.87  #QF  0.61
  1 ARG  QB      1 ARG  QD      3.43            #peak   678 #SUP  0.78  #QF  0.78
 26 LEU  HA     26 LEU  QD1     3.26            #peak   683 #SUP  0.87  #QF  0.87
  4 LEU  HA      4 LEU  QD1     4.13            #peak   685 #SUP  0.58  #QF  0.58
 23 TRP  HA     27 ALA  QB      3.65            #peak   686 #SUP  0.97  #QF  0.73
  4 LEU  HA      4 LEU  QD2     4.13            #peak   687 #SUP  0.52  #QF  0.52
 14 LYS  HA     17 ILE  QG2     3.86            #peak   689 #SUP  0.59  #QF  0.59
 16 THR  HA     20 LEU  QD2     3.58            #peak   690 #SUP  0.83  #QF  0.83
 25 LEU  HA     25 LEU  HB3     2.99            #peak   699 #SUP  0.92  #QF  0.92
  3 LYS  HA      3 LYS  QD      4.61            #peak   705 #SUP  0.79  #QF  0.63
  3 LYS  HA      4 LEU  HB2     5.31            #peak   705 #SUP  0.79  #QF  0.63
 25 LEU  HA     25 LEU  HG      3.77            #peak   707 #SUP  0.87  #QF  0.74
 20 LEU  HA     20 LEU  HG      3.47            #peak   714 #SUP  0.50  #QF  0.50
 14 LYS  HA     14 LYS  QD      3.73            #peak   715 #SUP  0.67  #QF  0.67
 15 ALA  QB     16 THR  HA      3.97            #peak   719 #SUP  0.84  #QF  0.84
 12 ALA  QB     13 GLY  QA      3.60            #peak   720 #SUP  0.59  #QF  0.59
 13 GLY  QA     14 LYS  QD      4.66            #peak   725 #SUP  0.87  #QF  0.87
 16 THR  HB     17 ILE  HB      4.35            #peak   726 #SUP  0.45  #QF  0.45
 20 LEU  QD1    23 TRP  HB3     5.50            #peak   727 #SUP  0.69  #QF  0.58
 23 TRP  HB3    27 ALA  QB      4.29            #peak   728 #SUP  0.44  #QF  0.44
 20 LEU  QD2    23 TRP  HB2     5.50            #peak   729 #SUP  0.88  #QF  0.81
 20 LEU  QD1    23 TRP  HB2     4.89            #peak   730 #SUP  0.81  #QF  0.26
 23 TRP  HB2    27 ALA  QB      5.15            #peak   730 #SUP  0.81  #QF  0.26
 14 LYS  HG2    14 LYS  QE      4.00            #peak   738 #SUP  0.65  #QF  0.65
 14 LYS  HG3    14 LYS  QE      4.00            #peak   741 #SUP  0.93  #QF  0.93
 14 LYS  HB3    14 LYS  QE      5.45            #peak   744 #SUP  0.75  #QF  0.54
 14 LYS  HB2    14 LYS  QE      5.50            #peak   744 #SUP  0.75  #QF  0.54
  3 LYS  HB2     3 LYS  QE      4.14            #peak   745 #SUP  0.61  #QF  0.61
  8 MET  HA      8 MET  QE      4.33            #peak   747 #SUP  0.66  #QF  0.66
  5 ALA  HA      8 MET  QB      4.40            #peak   748 #SUP  0.60  #QF  0.60
  8 MET  QE     12 ALA  HA      5.31            #peak   749 #SUP  0.44  #QF  0.44
  3 LYS  HA      8 MET  QE      5.46            #peak   750 #SUP  0.83  #QF  0.83
  3 LYS  HA      8 MET  QB      5.13            #peak   751 #SUP  0.85  #QF  0.85
 16 THR  HA     20 LEU  HB2     4.52            #peak   753 #SUP  0.95  #QF  0.95
  3 LYS  HA      3 LYS  QE      4.14            #peak   755 #SUP  0.49  #QF  0.49
  1 ARG  HA      1 ARG  QD      4.13            #peak   757 #SUP  0.37  #QF  0.37
 14 LYS  HA     17 ILE  H       5.50            #peak   766 #SUP  0.40  #QF  0.40
  4 LEU  H       7 ASN  HA      5.50            #peak   767 #SUP  0.31  #QF  0.31
 19 GLY  HA2    21 ALA  H       5.50            #peak   768 #SUP  0.97  #QF  0.76
 10 HIS  HA     10 HIS  HE1     4.50            #peak   769 #SUP  0.21  #QF  0.21
  5 ALA  HA     10 HIS  H       5.50            #peak   772 #SUP  0.84  #QF  0.84
 14 LYS  HA     16 THR  H       5.50            #peak   774 #SUP  0.43  #QF  0.43
 10 HIS  H      11 TYR  HB2     5.15            #peak   775 #SUP  0.83  #QF  0.83
 11 TYR  HB2    13 GLY  H       5.50            #peak   776 #SUP  0.76  #QF  0.23
 11 TYR  HB2    14 LYS  H       5.50            #peak   776 #SUP  0.76  #QF  0.23
 14 LYS  H      14 LYS  QE      5.50            #peak   776 #SUP  0.76  #QF  0.23
  7 ASN  H      10 HIS  QB      4.83            #peak   778 #SUP  0.75  #QF  0.56
 10 HIS  QB     10 HIS  HE1     5.29            #peak   778 #SUP  0.75  #QF  0.56
 22 ALA  HA     26 LEU  H       4.23            #peak   781 #SUP  0.48  #QF  0.48
 22 ALA  HA     27 ALA  H       4.57            #peak   782 #SUP  0.56  #QF  0.56
 11 TYR  HB2    12 ALA  H       5.50            #peak   790 #SUP  0.93  #QF  0.93
 14 LYS  HB3    19 GLY  H       5.50            #peak   792 #SUP  0.95  #QF  0.55
 19 GLY  H      20 LEU  HB2     5.50            #peak   792 #SUP  0.95  #QF  0.55
  6 TYR  H      10 HIS  H       5.50            #peak   794 #SUP  0.87  #QF  0.87
  7 ASN  H      10 HIS  H       4.28            #peak   799 #SUP  0.58  #QF  0.58
 10 HIS  HA     12 ALA  H       5.19            #peak   807 #SUP  0.82  #QF  0.82
  9 GLY  H      11 TYR  H       5.50            #peak   812 #SUP  0.98  #QF  0.82
  9 GLY  H      12 ALA  H       5.50            #peak   812 #SUP  0.98  #QF  0.82
  4 LEU  HA      5 ALA  H       3.06            #peak   815 #SUP  0.46  #QF  0.46
 20 LEU  H      21 ALA  H       3.76            #peak   817 #SUP  0.95  #QF  0.95
 23 TRP  HE1    27 ALA  QB      5.50            #peak   824 #SUP  0.66  #QF  0.66
  1 ARG  HA      1 ARG  QG      3.54            #peak   723
  1 ARG  QG      2 ASN  H       4.53            #peak   180
  2 ASN  QB      3 LYS  H       4.12            #peak    14
  3 LYS  H       3 LYS  QB      3.59            #peak   184
  3 LYS  H       3 LYS  QG      4.19            #peak   133
  3 LYS  HA      3 LYS  QG      3.10            #peak   700
  3 LYS  QB      3 LYS  QE      3.33            #peak   602
  3 LYS  QB      4 LEU  H       4.05            #peak   214
  3 LYS  QG      4 LEU  H       5.34            #peak   139
  3 LYS  QG      8 MET  H       5.34            #peak   137
  3 LYS  QG      8 MET  QB      5.22            #peak   610
  4 LEU  H       4 LEU  QQD     4.55            #peak   119
  4 LEU  H       7 ASN  QB      4.43            #peak     5
  4 LEU  H       7 ASN  QD2     5.34            #peak   813
  4 LEU  HA      4 LEU  QQD     3.54            #peak   685
  4 LEU  HB2     4 LEU  QQD     3.09            #peak   620
  4 LEU  HB3     4 LEU  QQD     2.83            #peak   623
  4 LEU  HB3     7 ASN  QD2     5.34            #peak   171
  4 LEU  QQD     5 ALA  QB      5.44            #peak   652
  4 LEU  QQD     6 TYR  QD      4.73            #peak    83
  7 ASN  H       7 ASN  QB      3.59            #peak     6
  7 ASN  H       7 ASN  QD2     5.34            #peak   813
  7 ASN  QB      8 MET  H       3.79            #peak     3
  8 MET  H       8 MET  QG      4.30            #peak     7
  8 MET  QG      9 GLY  H       4.72            #peak     7
  9 GLY  QA     10 HIS  H       3.00            #peak    31
  9 GLY  QA     11 TYR  H       4.80            #peak   330
  9 GLY  QA     12 ALA  H       4.13            #peak   784
 14 LYS  H      14 LYS  QG      4.77            #peak   143
 14 LYS  HA     14 LYS  QG      2.70            #peak   549
 14 LYS  QG     14 LYS  QD      2.40            #peak   638
 14 LYS  QG     14 LYS  QE      3.49            #peak   741
 14 LYS  QG     14 LYS  QZ      5.34            #peak   158
 17 ILE  H      17 ILE  QG1     4.35            #peak   167
 17 ILE  HA     17 ILE  QG1     3.52            #peak   546
 17 ILE  QG1    18 PHE  H       4.57            #peak   192
 17 ILE  QG1    18 PHE  QD      4.71            #peak   226
 17 ILE  QG1    18 PHE  QE      5.01            #peak   226
 21 ALA  QB     25 LEU  QQD     4.50            #peak   627
 24 ALA  QB     25 LEU  QQD     4.46            #peak   654
 25 LEU  H      25 LEU  QQD     4.80            #peak   109
 25 LEU  HA     25 LEU  QQD     3.12            #peak   560
 25 LEU  QQD    26 LEU  H       4.55            #peak   109
  1 ARG  HA      2 ASN  H       3.21 
  2 ASN  HA      3 LYS  H       3.40 
  3 LYS  HA      4 LEU  H       3.39 
  5 ALA  HA      6 TYR  H       3.38 
  6 TYR  HA      7 ASN  H       3.43 
  7 ASN  HA      8 MET  H       3.49 
 10 HIS  HA     11 TYR  H       3.56 
 11 TYR  HA     12 ALA  H       3.55 
 12 ALA  HA     13 GLY  H       3.50 
 14 LYS  HA     15 ALA  H       3.48 
 15 ALA  HA     16 THR  H       3.46 
 16 THR  HA     17 ILE  H       4.30 
 17 ILE  HA     18 PHE  H       4.00 
 18 PHE  HA     19 GLY  H       4.43 
 20 LEU  HA     21 ALA  H       4.67 
 22 ALA  HA     23 TRP  H       3.50 
 23 TRP  HA     24 ALA  H       3.67 
 24 ALA  HA     25 LEU  H       3.78 
 26 LEU  HA     27 ALA  H       3.23 
  8 MET  HA     10 HIS  H       4.93 
 20 LEU  HA     22 ALA  H       4.61 
 21 ALA  HA     23 TRP  H       5.50 
 25 LEU  HA     27 ALA  H       4.43 
 17 ILE  HA     21 ALA  H       5.50 
# Restraints file 2: talos2.aco
   5 ALA   PHI     -77.2   -50.4
   5 ALA   PSI     -63.6   -16.2
   6 TYR   PHI     -91.1   -43.0
   6 TYR   PSI     -68.1    -9.6
   7 ASN   PHI     -74.7   -54.7
   7 ASN   PSI     -60.2   -16.4
   8 MET   PHI     -75.0   -55.0
   8 MET   PSI     -60.6   -15.7
   9 GLY   PHI     -74.3   -46.9
   9 GLY   PSI     -61.5   -29.3
  10 HIS   PHI     -71.7   -51.7
  10 HIS   PSI     -50.9   -30.8
  11 TYR   PHI     -72.9   -52.9
  11 TYR   PSI     -49.5   -29.5
  12 ALA   PHI     -76.5   -56.5
  12 ALA   PSI     -50.5   -28.0
  13 GLY   PHI     -79.1   -49.9
  13 GLY   PSI     -52.7   -27.3
  14 LYS   PHI     -74.7   -54.7
  14 LYS   PSI     -52.3   -30.3
  15 ALA   PHI     -76.4   -49.6
  15 ALA   PSI     -50.4   -27.8
  16 THR   PHI     -74.8   -54.3
  16 THR   PSI     -52.3   -32.1
  17 ILE   PHI     -76.5   -50.1
  17 ILE   PSI     -54.0   -32.9
  18 PHE   PHI     -75.9   -53.8
  18 PHE   PSI     -61.9    -1.8
  19 GLY   PHI     -94.9   -39.9
  19 GLY   PSI     -56.8   -20.5
  20 LEU   PHI     -75.2   -55.2
  20 LEU   PSI     -52.1   -31.1
  21 ALA   PHI     -74.7   -51.5
  21 ALA   PSI     -55.9   -26.5
  22 ALA   PHI     -74.4   -54.1
  22 ALA   PSI     -52.9   -32.9
  23 TRP   PHI     -89.4   -44.7
  23 TRP   PSI     -69.1   -18.6
  24 ALA   PHI     -74.9   -52.5
  24 ALA   PSI     -60.5   -15.7
  25 LEU   PHI     -79.8   -57.5
  25 LEU   PSI     -58.7   -12.7
  26 LEU   PHI    -109.3   -36.5
  26 LEU   PSI     -57.7   -13.4
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1 -13.328  10.062  -1.892
    2    H2   ARG   1           HT2      ARG   1 -14.245  11.171  -2.714
    3    H3   ARG   1           HT3      ARG   1 -13.559   9.900  -3.567
    4    HA   ARG   1           HA       ARG   1 -15.710   9.717  -1.549
    5    HB2  ARG   1           HB2      ARG   1 -16.250  10.667  -3.827
    6    HB3  ARG   1           HB3      ARG   1 -15.716   9.157  -4.527
    7    HG2  ARG   1           HG2      ARG   1 -17.523   8.046  -3.151
    8    HG3  ARG   1           HG3      ARG   1 -18.125   9.673  -2.824
    9    HD2  ARG   1           HD2      ARG   1 -18.261  10.099  -5.246
   10    HD3  ARG   1           HD3      ARG   1 -17.705   8.446  -5.517
   11    HE   ARG   1           HE       ARG   1 -20.188   8.963  -4.051
   12   HH11  ARG   1          HH11      ARG   1 -18.517   7.478  -6.834
   13   HH12  ARG   1          HH12      ARG   1 -19.896   6.586  -7.298
   14   HH21  ARG   1          HH21      ARG   1 -22.037   7.805  -4.783
   15   HH22  ARG   1          HH22      ARG   1 -21.931   6.771  -6.130
   16    H    ASN   2           H        ASN   2 -12.950   8.256  -2.559
   17    HA   ASN   2           HA       ASN   2 -14.076   5.571  -2.492
   18    HB2  ASN   2           HB2      ASN   2 -12.008   4.783  -3.522
   19    HB3  ASN   2           HB3      ASN   2 -12.719   6.068  -4.479
   20   HD21  ASN   2          HD21      ASN   2 -10.045   5.077  -2.566
   21   HD22  ASN   2          HD22      ASN   2  -9.018   6.411  -2.895
   22    H    LYS   3           H        LYS   3 -13.565   4.135  -0.962
   23    HA   LYS   3           HA       LYS   3 -11.342   4.092   0.712
   24    HB2  LYS   3           HB2      LYS   3 -12.617   6.101   1.628
   25    HB3  LYS   3           HB3      LYS   3 -13.911   4.979   2.017
   26    HG2  LYS   3           HG2      LYS   3 -12.133   3.665   3.269
   27    HG3  LYS   3           HG3      LYS   3 -11.153   5.129   3.112
   28    HD2  LYS   3           HD2      LYS   3 -12.254   5.227   5.231
   29    HD3  LYS   3           HD3      LYS   3 -13.073   6.364   4.148
   30    HE2  LYS   3           HE2      LYS   3 -14.783   4.642   3.663
   31    HE3  LYS   3           HE3      LYS   3 -13.970   3.562   4.768
   32    HZ1  LYS   3           HZ1      LYS   3 -14.436   5.079   6.570
   33    HZ2  LYS   3           HZ2      LYS   3 -15.881   4.678   5.785
   34    HZ3  LYS   3           HZ3      LYS   3 -15.154   6.165   5.516
   35    H    LEU   4           H        LEU   4 -11.428   2.048   1.777
   36    HA   LEU   4           HA       LEU   4 -13.668   0.482   2.299
   37    HB2  LEU   4           HB2      LEU   4 -13.854   0.681  -0.212
   38    HB3  LEU   4           HB3      LEU   4 -12.348  -0.213  -0.339
   39    HG   LEU   4           HG       LEU   4 -13.534  -2.092   0.901
   40   HD11  LEU   4          HD11      LEU   4 -15.973  -2.088   0.844
   41   HD12  LEU   4          HD12      LEU   4 -15.957  -0.456   0.185
   42   HD13  LEU   4          HD13      LEU   4 -15.364  -0.747   1.814
   43   HD21  LEU   4          HD21      LEU   4 -13.124  -2.175  -1.510
   44   HD22  LEU   4          HD22      LEU   4 -14.616  -1.288  -1.803
   45   HD23  LEU   4          HD23      LEU   4 -14.676  -2.905  -1.105
   46    H    ALA   5           H        ALA   5 -12.967  -1.719   2.795
   47    HA   ALA   5           HA       ALA   5 -10.510  -1.859   4.062
   48    HB1  ALA   5           HB1      ALA   5 -12.419  -3.268   4.613
   49    HB2  ALA   5           HB2      ALA   5 -10.989  -4.263   4.320
   50    HB3  ALA   5           HB3      ALA   5 -12.244  -4.120   3.082
   51    H    TYR   6           H        TYR   6 -11.405  -2.646   0.848
   52    HA   TYR   6           HA       TYR   6  -8.889  -3.919   0.216
   53    HB2  TYR   6           HB2      TYR   6 -11.224  -3.168  -1.527
   54    HB3  TYR   6           HB3      TYR   6  -9.769  -3.963  -2.124
   55    HD1  TYR   6           HD1      TYR   6  -9.246  -6.240  -1.458
   56    HD2  TYR   6           HD2      TYR   6 -12.873  -4.383  -0.258
   57    HE1  TYR   6           HE1      TYR   6 -10.149  -8.420  -0.868
   58    HE2  TYR   6           HE2      TYR   6 -13.798  -6.585   0.348
   59    HH   TYR   6           HH       TYR   6 -11.833  -9.338   0.568
   60    H    ASN   7           H        ASN   7 -10.218  -0.800   0.138
   61    HA   ASN   7           HA       ASN   7  -8.319   0.243  -1.735
   62    HB2  ASN   7           HB2      ASN   7 -10.410   1.414  -1.628
   63    HB3  ASN   7           HB3      ASN   7 -10.276   1.616   0.110
   64   HD21  ASN   7          HD21      ASN   7  -9.048   2.680  -2.975
   65   HD22  ASN   7          HD22      ASN   7  -8.293   4.125  -2.384
   66    H    MET   8           H        MET   8  -8.842   0.739   1.705
   67    HA   MET   8           HA       MET   8  -6.234   1.861   1.929
   68    HB2  MET   8           HB2      MET   8  -8.292   1.314   4.047
   69    HB3  MET   8           HB3      MET   8  -6.724   2.030   4.377
   70    HG2  MET   8           HG2      MET   8  -8.576   3.289   2.385
   71    HG3  MET   8           HG3      MET   8  -8.794   3.555   4.109
   72    HE1  MET   8           HE1      MET   8  -5.181   3.394   2.125
   73    HE2  MET   8           HE2      MET   8  -5.150   5.074   1.625
   74    HE3  MET   8           HE3      MET   8  -6.416   3.999   1.024
   75    H    GLY   9           H        GLY   9  -7.684  -0.989   3.537
   76    HA2  GLY   9           HA2      GLY   9  -5.290  -1.822   4.735
   77    HA3  GLY   9           HA3      GLY   9  -6.715  -2.811   4.490
   78    H    HIS  10           H        HIS  10  -6.793  -2.893   1.734
   79    HA   HIS  10           HA       HIS  10  -4.818  -4.912   1.317
   80    HB2  HIS  10           HB2      HIS  10  -7.135  -4.889   0.301
   81    HB3  HIS  10           HB3      HIS  10  -6.549  -3.674  -0.840
   82    HD1  HIS  10           HD1      HIS  10  -4.965  -6.923   0.331
   83    HD2  HIS  10           HD2      HIS  10  -6.305  -5.044  -3.107
   84    HE1  HIS  10           HE1      HIS  10  -4.310  -8.422  -1.536
   85    H    TYR  11           H        TYR  11  -5.109  -1.560   0.158
   86    HA   TYR  11           HA       TYR  11  -2.736  -1.669  -1.374
   87    HB2  TYR  11           HB2      TYR  11  -4.453   0.513  -0.387
   88    HB3  TYR  11           HB3      TYR  11  -2.802   0.930  -0.825
   89    HD1  TYR  11           HD1      TYR  11  -5.965  -0.490  -2.127
   90    HD2  TYR  11           HD2      TYR  11  -2.114   1.042  -3.015
   91    HE1  TYR  11           HE1      TYR  11  -6.567  -0.391  -4.502
   92    HE2  TYR  11           HE2      TYR  11  -2.669   1.163  -5.362
   93    HH   TYR  11           HH       TYR  11  -4.197   0.267  -6.929
   94    H    ALA  12           H        ALA  12  -3.329  -0.982   1.992
   95    HA   ALA  12           HA       ALA  12  -0.832   0.033   2.670
   96    HB1  ALA  12           HB1      ALA  12  -2.596  -1.788   4.316
   97    HB2  ALA  12           HB2      ALA  12  -2.722  -0.033   4.233
   98    HB3  ALA  12           HB3      ALA  12  -1.283  -0.785   4.939
   99    H    GLY  13           H        GLY  13  -1.916  -3.267   2.205
  100    HA2  GLY  13           HA2      GLY  13   0.451  -4.578   3.019
  101    HA3  GLY  13           HA3      GLY  13  -0.756  -5.234   1.914
  102    H    LYS  14           H        LYS  14  -0.664  -3.470  -0.135
  103    HA   LYS  14           HA       LYS  14   1.585  -4.376  -1.613
  104    HB2  LYS  14           HB2      LYS  14  -0.548  -2.360  -2.232
  105    HB3  LYS  14           HB3      LYS  14   0.845  -2.516  -3.279
  106    HG2  LYS  14           HG2      LYS  14  -0.997  -3.734  -4.198
  107    HG3  LYS  14           HG3      LYS  14   0.249  -4.865  -3.690
  108    HD2  LYS  14           HD2      LYS  14  -1.027  -5.479  -1.762
  109    HD3  LYS  14           HD3      LYS  14  -2.194  -4.194  -2.069
  110    HE2  LYS  14           HE2      LYS  14  -3.079  -6.314  -2.791
  111    HE3  LYS  14           HE3      LYS  14  -2.813  -5.256  -4.166
  112    HZ1  LYS  14           HZ1      LYS  14  -0.672  -6.516  -4.537
  113    HZ2  LYS  14           HZ2      LYS  14  -2.075  -7.363  -4.756
  114    HZ3  LYS  14           HZ3      LYS  14  -1.207  -7.609  -3.352
  115    H    ALA  15           H        ALA  15   0.784  -1.260  -0.252
  116    HA   ALA  15           HA       ALA  15   3.050   0.040  -1.259
  117    HB1  ALA  15           HB1      ALA  15   1.056   1.257  -0.567
  118    HB2  ALA  15           HB2      ALA  15   2.513   1.839   0.247
  119    HB3  ALA  15           HB3      ALA  15   1.373   0.812   1.117
  120    H    THR  16           H        THR  16   2.506  -1.776   1.657
  121    HA   THR  16           HA       THR  16   4.985  -0.900   2.783
  122    HB   THR  16           HB       THR  16   3.400  -3.329   3.669
  123    HG1  THR  16           HG1      THR  16   2.073  -1.549   3.887
  124   HG21  THR  16          HG21      THR  16   4.535  -2.923   5.831
  125   HG22  THR  16          HG22      THR  16   5.410  -1.573   5.104
  126   HG23  THR  16          HG23      THR  16   5.710  -3.215   4.546
  127    H    ILE  17           H        ILE  17   3.986  -3.696   0.851
  128    HA   ILE  17           HA       ILE  17   6.614  -4.766   1.146
  129    HB   ILE  17           HB       ILE  17   4.825  -6.383   0.863
  130   HG12  ILE  17          HG12      ILE  17   5.769  -7.806  -0.968
  131   HG13  ILE  17          HG13      ILE  17   6.724  -6.423  -1.488
  132   HG21  ILE  17          HG21      ILE  17   3.636  -6.725  -1.263
  133   HG22  ILE  17          HG22      ILE  17   4.376  -5.249  -1.882
  134   HG23  ILE  17          HG23      ILE  17   3.279  -5.174  -0.501
  135   HD11  ILE  17          HD11      ILE  17   7.901  -6.425   0.635
  136   HD12  ILE  17          HD12      ILE  17   8.020  -8.004  -0.142
  137   HD13  ILE  17          HD13      ILE  17   6.897  -7.758   1.198
  138    H    PHE  18           H        PHE  18   4.918  -3.272  -1.605
  139    HA   PHE  18           HA       PHE  18   7.330  -3.246  -3.159
  140    HB2  PHE  18           HB2      PHE  18   4.691  -1.924  -3.760
  141    HB3  PHE  18           HB3      PHE  18   6.031  -2.187  -4.881
  142    HD1  PHE  18           HD1      PHE  18   6.802  -4.922  -4.292
  143    HD2  PHE  18           HD2      PHE  18   2.941  -3.177  -4.559
  144    HE1  PHE  18           HE1      PHE  18   5.866  -7.100  -4.924
  145    HE2  PHE  18           HE2      PHE  18   1.990  -5.345  -5.180
  146    HZ   PHE  18           HZ       PHE  18   3.452  -7.319  -5.361
  147    H    GLY  19           H        GLY  19   5.213  -0.690  -1.951
  148    HA2  GLY  19           HA2      GLY  19   6.736   1.506  -2.796
  149    HA3  GLY  19           HA3      GLY  19   5.581   1.511  -1.461
  150    H    LEU  20           H        LEU  20   6.552   0.054   0.396
  151    HA   LEU  20           HA       LEU  20   8.513   1.668   1.541
  152    HB2  LEU  20           HB2      LEU  20   6.812  -0.067   2.549
  153    HB3  LEU  20           HB3      LEU  20   8.231  -1.101   2.544
  154    HG   LEU  20           HG       LEU  20   9.368   0.904   3.698
  155   HD11  LEU  20          HD11      LEU  20   7.870   2.291   5.014
  156   HD12  LEU  20          HD12      LEU  20   6.502   1.410   4.328
  157   HD13  LEU  20          HD13      LEU  20   7.488   2.421   3.280
  158   HD21  LEU  20          HD21      LEU  20   7.333  -0.776   5.151
  159   HD22  LEU  20          HD22      LEU  20   8.700   0.086   5.876
  160   HD23  LEU  20          HD23      LEU  20   8.993  -1.244   4.756
  161    H    ALA  21           H        ALA  21   8.868  -1.304  -0.371
  162    HA   ALA  21           HA       ALA  21  11.494  -1.932   0.357
  163    HB1  ALA  21           HB1      ALA  21  10.115  -2.330  -2.301
  164    HB2  ALA  21           HB2      ALA  21  10.070  -3.447  -0.946
  165    HB3  ALA  21           HB3      ALA  21  11.592  -3.144  -1.786
  166    H    ALA  22           H        ALA  22  10.171   0.385  -1.878
  167    HA   ALA  22           HA       ALA  22  12.617   1.015  -3.177
  168    HB1  ALA  22           HB1      ALA  22  11.430   2.938  -4.068
  169    HB2  ALA  22           HB2      ALA  22  10.111   2.653  -2.919
  170    HB3  ALA  22           HB3      ALA  22  10.455   1.467  -4.183
  171    H    TRP  23           H        TRP  23  11.042   2.067  -0.331
  172    HA   TRP  23           HA       TRP  23  12.842   4.298  -0.034
  173    HB2  TRP  23           HB2      TRP  23  10.227   3.749   0.763
  174    HB3  TRP  23           HB3      TRP  23  11.176   3.939   2.236
  175    HD1  TRP  23           HD1      TRP  23  10.938   6.340   3.000
  176    HE1  TRP  23           HE1      TRP  23  10.985   8.661   1.896
  177    HE3  TRP  23           HE3      TRP  23  11.464   4.856  -1.834
  178    HZ2  TRP  23           HZ2      TRP  23  11.297   9.716  -0.758
  179    HZ3  TRP  23           HZ3      TRP  23  11.680   6.516  -3.582
  180    HH2  TRP  23           HH2      TRP  23  11.604   8.909  -3.074
  181    H    ALA  24           H        ALA  24  12.142   1.307   1.652
  182    HA   ALA  24           HA       ALA  24  14.115   1.813   3.609
  183    HB1  ALA  24           HB1      ALA  24  12.671  -0.748   2.942
  184    HB2  ALA  24           HB2      ALA  24  12.145   0.467   4.094
  185    HB3  ALA  24           HB3      ALA  24  13.621  -0.453   4.402
  186    H    LEU  25           H        LEU  25  13.859  -0.520   0.954
  187    HA   LEU  25           HA       LEU  25  16.535  -1.500   1.290
  188    HB2  LEU  25           HB2      LEU  25  14.339  -2.164  -0.641
  189    HB3  LEU  25           HB3      LEU  25  15.905  -2.988  -0.610
  190    HG   LEU  25           HG       LEU  25  13.873  -2.944   1.630
  191   HD11  LEU  25          HD11      LEU  25  13.463  -5.286   1.034
  192   HD12  LEU  25          HD12      LEU  25  14.562  -5.125  -0.337
  193   HD13  LEU  25          HD13      LEU  25  13.069  -4.196  -0.294
  194   HD21  LEU  25          HD21      LEU  25  16.435  -4.508   1.298
  195   HD22  LEU  25          HD22      LEU  25  15.256  -4.723   2.592
  196   HD23  LEU  25          HD23      LEU  25  16.151  -3.213   2.467
  197    H    LEU  26           H        LEU  26  14.858   0.531  -1.072
  198    HA   LEU  26           HA       LEU  26  17.136   0.408  -2.844
  199    HB2  LEU  26           HB2      LEU  26  14.904   0.108  -3.768
  200    HB3  LEU  26           HB3      LEU  26  14.442   1.668  -3.115
  201    HG   LEU  26           HG       LEU  26  16.047   2.726  -4.620
  202   HD11  LEU  26          HD11      LEU  26  17.553   0.908  -5.068
  203   HD12  LEU  26          HD12      LEU  26  16.861   1.465  -6.590
  204   HD13  LEU  26          HD13      LEU  26  16.268  -0.018  -5.841
  205   HD21  LEU  26          HD21      LEU  26  13.712   2.699  -5.153
  206   HD22  LEU  26          HD22      LEU  26  13.854   1.102  -5.899
  207   HD23  LEU  26          HD23      LEU  26  14.634   2.501  -6.643
  208    H    ALA  27           H        ALA  27  16.053   2.436  -0.453
  209    HA   ALA  27           HA       ALA  27  17.476   4.698  -1.637
  210    HB1  ALA  27           HB1      ALA  27  15.502   4.818   0.661
  211    HB2  ALA  27           HB2      ALA  27  15.148   5.229  -1.012
  212    HB3  ALA  27           HB3      ALA  27  16.295   6.190  -0.096
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1   8.113  -6.685  -3.477
    2    H2   ARG   1           HT2      ARG   1   8.455  -8.213  -4.008
    3    H3   ARG   1           HT3      ARG   1   9.668  -7.012  -4.017
    4    HA   ARG   1           HA       ARG   1   8.394  -8.205  -1.628
    5    HB2  ARG   1           HB2      ARG   1  11.283  -8.225  -2.536
    6    HB3  ARG   1           HB3      ARG   1  10.618  -9.019  -1.108
    7    HG2  ARG   1           HG2      ARG   1   9.300 -10.471  -2.519
    8    HG3  ARG   1           HG3      ARG   1   9.920  -9.657  -3.951
    9    HD2  ARG   1           HD2      ARG   1  12.197 -10.326  -3.289
   10    HD3  ARG   1           HD3      ARG   1  11.516 -11.242  -1.953
   11    HE   ARG   1           HE       ARG   1  10.607 -11.785  -4.665
   12   HH11  ARG   1          HH11      ARG   1  12.080 -12.956  -1.694
   13   HH12  ARG   1          HH12      ARG   1  12.502 -14.483  -2.303
   14   HH21  ARG   1          HH21      ARG   1  11.136 -13.898  -5.539
   15   HH22  ARG   1          HH22      ARG   1  11.921 -15.055  -4.580
   16    H    ASN   2           H        ASN   2   8.727  -7.145   0.236
   17    HA   ASN   2           HA       ASN   2   9.590  -4.402  -0.231
   18    HB2  ASN   2           HB2      ASN   2   7.672  -5.390   1.902
   19    HB3  ASN   2           HB3      ASN   2   8.109  -3.718   1.570
   20   HD21  ASN   2          HD21      ASN   2   5.996  -3.024   1.100
   21   HD22  ASN   2          HD22      ASN   2   5.148  -3.568  -0.286
   22    H    LYS   3           H        LYS   3  11.066  -3.467   1.007
   23    HA   LYS   3           HA       LYS   3  11.909  -4.544   3.519
   24    HB2  LYS   3           HB2      LYS   3  14.273  -4.790   2.793
   25    HB3  LYS   3           HB3      LYS   3  13.179  -6.058   2.256
   26    HG2  LYS   3           HG2      LYS   3  12.956  -5.018   0.139
   27    HG3  LYS   3           HG3      LYS   3  14.011  -3.701   0.643
   28    HD2  LYS   3           HD2      LYS   3  14.874  -6.612   0.507
   29    HD3  LYS   3           HD3      LYS   3  15.233  -5.419  -0.744
   30    HE2  LYS   3           HE2      LYS   3  16.492  -4.094   0.845
   31    HE3  LYS   3           HE3      LYS   3  16.050  -5.195   2.141
   32    HZ1  LYS   3           HZ1      LYS   3  17.640  -5.957  -0.235
   33    HZ2  LYS   3           HZ2      LYS   3  17.283  -6.927   1.084
   34    HZ3  LYS   3           HZ3      LYS   3  18.283  -5.582   1.273
   35    H    LEU   4           H        LEU   4  12.511  -2.332   0.952
   36    HA   LEU   4           HA       LEU   4  13.966  -0.491   2.638
   37    HB2  LEU   4           HB2      LEU   4  14.387  -1.020   0.262
   38    HB3  LEU   4           HB3      LEU   4  12.901  -0.202  -0.153
   39    HG   LEU   4           HG       LEU   4  13.866   1.894   0.883
   40   HD11  LEU   4          HD11      LEU   4  16.441   0.335   0.730
   41   HD12  LEU   4          HD12      LEU   4  15.615   0.809   2.207
   42   HD13  LEU   4          HD13      LEU   4  16.272   2.046   1.133
   43   HD21  LEU   4          HD21      LEU   4  13.735   1.623  -1.512
   44   HD22  LEU   4          HD22      LEU   4  15.241   0.709  -1.522
   45   HD23  LEU   4          HD23      LEU   4  15.249   2.417  -1.085
   46    H    ALA   5           H        ALA   5  13.271   1.763   2.781
   47    HA   ALA   5           HA       ALA   5  10.880   2.102   4.095
   48    HB1  ALA   5           HB1      ALA   5  11.344   4.483   3.989
   49    HB2  ALA   5           HB2      ALA   5  12.522   4.197   2.701
   50    HB3  ALA   5           HB3      ALA   5  12.816   3.563   4.316
   51    H    TYR   6           H        TYR   6  11.633   2.720   0.789
   52    HA   TYR   6           HA       TYR   6   9.005   3.766   0.298
   53    HB2  TYR   6           HB2      TYR   6  11.241   3.201  -1.621
   54    HB3  TYR   6           HB3      TYR   6   9.658   3.757  -2.141
   55    HD1  TYR   6           HD1      TYR   6   8.860   5.977  -1.520
   56    HD2  TYR   6           HD2      TYR   6  12.792   4.706  -0.572
   57    HE1  TYR   6           HE1      TYR   6   9.499   8.309  -1.114
   58    HE2  TYR   6           HE2      TYR   6  13.450   7.043  -0.145
   59    HH   TYR   6           HH       TYR   6  11.160   9.520   0.128
   60    H    ASN   7           H        ASN   7  10.353   0.649   0.309
   61    HA   ASN   7           HA       ASN   7   8.419  -0.440  -1.550
   62    HB2  ASN   7           HB2      ASN   7   9.878  -1.959   0.606
   63    HB3  ASN   7           HB3      ASN   7   9.018  -2.608  -0.768
   64   HD21  ASN   7          HD21      ASN   7  10.372  -0.650  -2.649
   65   HD22  ASN   7          HD22      ASN   7  11.948  -1.342  -2.774
   66    H    MET   8           H        MET   8   8.992  -0.787   1.901
   67    HA   MET   8           HA       MET   8   6.321  -1.722   2.216
   68    HB2  MET   8           HB2      MET   8   7.922  -2.956   3.443
   69    HB3  MET   8           HB3      MET   8   8.567  -1.548   4.212
   70    HG2  MET   8           HG2      MET   8   7.148  -2.921   5.703
   71    HG3  MET   8           HG3      MET   8   6.601  -1.257   5.555
   72    HE1  MET   8           HE1      MET   8   5.964  -4.986   4.439
   73    HE2  MET   8           HE2      MET   8   6.026  -4.154   2.871
   74    HE3  MET   8           HE3      MET   8   4.506  -4.816   3.455
   75    H    GLY   9           H        GLY   9   8.063   0.970   3.711
   76    HA2  GLY   9           HA2      GLY   9   5.860   1.963   5.141
   77    HA3  GLY   9           HA3      GLY   9   7.294   2.881   4.723
   78    H    HIS  10           H        HIS  10   7.107   2.919   2.007
   79    HA   HIS  10           HA       HIS  10   5.217   5.011   1.624
   80    HB2  HIS  10           HB2      HIS  10   7.385   4.840   0.442
   81    HB3  HIS  10           HB3      HIS  10   6.734   3.486  -0.498
   82    HD1  HIS  10           HD1      HIS  10   5.613   7.011   0.319
   83    HD2  HIS  10           HD2      HIS  10   5.943   4.383  -2.854
   84    HE1  HIS  10           HE1      HIS  10   4.669   8.215  -1.623
   85    H    TYR  11           H        TYR  11   5.221   1.610   0.568
   86    HA   TYR  11           HA       TYR  11   2.749   1.788  -0.815
   87    HB2  TYR  11           HB2      TYR  11   4.483  -0.391   0.074
   88    HB3  TYR  11           HB3      TYR  11   2.790  -0.800  -0.197
   89    HD1  TYR  11           HD1      TYR  11   5.822   0.566  -1.820
   90    HD2  TYR  11           HD2      TYR  11   1.930  -1.019  -2.305
   91    HE1  TYR  11           HE1      TYR  11   6.217   0.371  -4.255
   92    HE2  TYR  11           HE2      TYR  11   2.272  -1.228  -4.701
   93    HH   TYR  11           HH       TYR  11   3.660  -0.375  -6.445
   94    H    ALA  12           H        ALA  12   3.546   1.144   2.513
   95    HA   ALA  12           HA       ALA  12   1.142   0.044   3.345
   96    HB1  ALA  12           HB1      ALA  12   3.124   0.172   4.765
   97    HB2  ALA  12           HB2      ALA  12   1.701   0.825   5.584
   98    HB3  ALA  12           HB3      ALA  12   2.914   1.917   4.904
   99    H    GLY  13           H        GLY  13   2.072   3.414   2.986
  100    HA2  GLY  13           HA2      GLY  13  -0.280   4.571   4.021
  101    HA3  GLY  13           HA3      GLY  13   0.830   5.342   2.901
  102    H    LYS  14           H        LYS  14   0.586   3.486   0.791
  103    HA   LYS  14           HA       LYS  14  -1.822   4.505  -0.382
  104    HB2  LYS  14           HB2      LYS  14   0.410   2.812  -1.439
  105    HB3  LYS  14           HB3      LYS  14  -1.075   2.964  -2.352
  106    HG2  LYS  14           HG2      LYS  14   0.507   4.545  -3.213
  107    HG3  LYS  14           HG3      LYS  14  -0.766   5.420  -2.370
  108    HD2  LYS  14           HD2      LYS  14   0.727   5.636  -0.409
  109    HD3  LYS  14           HD3      LYS  14   1.997   4.816  -1.308
  110    HE2  LYS  14           HE2      LYS  14   0.698   7.423  -2.083
  111    HE3  LYS  14           HE3      LYS  14   2.298   7.246  -1.369
  112    HZ1  LYS  14           HZ1      LYS  14   2.510   7.508  -3.738
  113    HZ2  LYS  14           HZ2      LYS  14   1.423   6.279  -4.034
  114    HZ3  LYS  14           HZ3      LYS  14   2.913   5.914  -3.359
  115    H    ALA  15           H        ALA  15  -0.790   1.473   0.917
  116    HA   ALA  15           HA       ALA  15  -2.999   0.023  -0.098
  117    HB1  ALA  15           HB1      ALA  15  -0.901  -1.071   0.477
  118    HB2  ALA  15           HB2      ALA  15  -2.278  -1.765   1.338
  119    HB3  ALA  15           HB3      ALA  15  -1.163  -0.682   2.180
  120    H    THR  16           H        THR  16  -2.497   1.929   2.774
  121    HA   THR  16           HA       THR  16  -4.824   0.924   4.042
  122    HB   THR  16           HB       THR  16  -3.567   3.630   4.561
  123    HG1  THR  16           HG1      THR  16  -2.988   1.086   5.713
  124   HG21  THR  16          HG21      THR  16  -5.741   3.258   5.580
  125   HG22  THR  16          HG22      THR  16  -4.489   3.228   6.828
  126   HG23  THR  16          HG23      THR  16  -5.189   1.718   6.227
  127    H    ILE  17           H        ILE  17  -4.169   3.687   1.902
  128    HA   ILE  17           HA       ILE  17  -6.898   4.502   2.164
  129    HB   ILE  17           HB       ILE  17  -5.346   6.313   1.740
  130   HG12  ILE  17          HG12      ILE  17  -7.066   5.882  -0.723
  131   HG13  ILE  17          HG13      ILE  17  -7.625   6.542   0.804
  132   HG21  ILE  17          HG21      ILE  17  -4.640   4.960  -0.848
  133   HG22  ILE  17          HG22      ILE  17  -3.597   5.151   0.568
  134   HG23  ILE  17          HG23      ILE  17  -4.101   6.567  -0.355
  135   HD11  ILE  17          HD11      ILE  17  -7.266   8.299  -0.826
  136   HD12  ILE  17          HD12      ILE  17  -5.597   7.798  -1.049
  137   HD13  ILE  17          HD13      ILE  17  -6.118   8.460   0.500
  138    H    PHE  18           H        PHE  18  -5.076   3.033  -0.518
  139    HA   PHE  18           HA       PHE  18  -7.504   2.690  -1.968
  140    HB2  PHE  18           HB2      PHE  18  -4.754   1.657  -2.620
  141    HB3  PHE  18           HB3      PHE  18  -6.154   1.658  -3.695
  142    HD1  PHE  18           HD1      PHE  18  -3.214   3.233  -3.198
  143    HD2  PHE  18           HD2      PHE  18  -7.335   4.129  -3.586
  144    HE1  PHE  18           HE1      PHE  18  -2.630   5.498  -3.936
  145    HE2  PHE  18           HE2      PHE  18  -6.771   6.420  -4.347
  146    HZ   PHE  18           HZ       PHE  18  -4.415   7.097  -4.521
  147    H    GLY  19           H        GLY  19  -5.098   0.403  -0.794
  148    HA2  GLY  19           HA2      GLY  19  -6.405  -1.971  -1.390
  149    HA3  GLY  19           HA3      GLY  19  -5.219  -1.773  -0.106
  150    H    LEU  20           H        LEU  20  -6.429  -0.246   1.679
  151    HA   LEU  20           HA       LEU  20  -8.198  -2.070   2.888
  152    HB2  LEU  20           HB2      LEU  20  -6.740  -0.001   3.826
  153    HB3  LEU  20           HB3      LEU  20  -8.351   0.695   3.848
  154    HG   LEU  20           HG       LEU  20  -9.004  -1.504   5.031
  155   HD11  LEU  20          HD11      LEU  20  -6.077  -1.381   5.632
  156   HD12  LEU  20          HD12      LEU  20  -6.886  -2.623   4.672
  157   HD13  LEU  20          HD13      LEU  20  -7.244  -2.466   6.400
  158   HD21  LEU  20          HD21      LEU  20  -8.529  -0.504   7.207
  159   HD22  LEU  20          HD22      LEU  20  -9.165   0.662   6.056
  160   HD23  LEU  20          HD23      LEU  20  -7.435   0.656   6.442
  161    H    ALA  21           H        ALA  21  -8.823   0.809   0.875
  162    HA   ALA  21           HA       ALA  21 -11.558   1.020   1.507
  163    HB1  ALA  21           HB1      ALA  21 -10.321   2.842   0.414
  164    HB2  ALA  21           HB2      ALA  21 -11.720   2.362  -0.557
  165    HB3  ALA  21           HB3      ALA  21 -10.101   1.825  -1.004
  166    H    ALA  22           H        ALA  22  -9.733  -1.032  -0.546
  167    HA   ALA  22           HA       ALA  22 -11.884  -2.000  -2.142
  168    HB1  ALA  22           HB1      ALA  22  -9.311  -3.395  -1.405
  169    HB2  ALA  22           HB2      ALA  22  -9.522  -2.336  -2.797
  170    HB3  ALA  22           HB3      ALA  22 -10.403  -3.866  -2.706
  171    H    TRP  23           H        TRP  23 -10.738  -2.752   1.043
  172    HA   TRP  23           HA       TRP  23 -12.540  -5.014   1.081
  173    HB2  TRP  23           HB2      TRP  23 -10.134  -4.615   2.388
  174    HB3  TRP  23           HB3      TRP  23 -11.338  -4.288   3.611
  175    HD1  TRP  23           HD1      TRP  23 -11.649  -6.442   5.031
  176    HE1  TRP  23           HE1      TRP  23 -12.055  -8.929   4.497
  177    HE3  TRP  23           HE3      TRP  23 -11.221  -6.277  -0.071
  178    HZ2  TRP  23           HZ2      TRP  23 -12.200 -10.595   2.211
  179    HZ3  TRP  23           HZ3      TRP  23 -11.528  -8.321  -1.353
  180    HH2  TRP  23           HH2      TRP  23 -12.008 -10.463  -0.235
  181    H    ALA  24           H        ALA  24 -12.242  -1.861   2.573
  182    HA   ALA  24           HA       ALA  24 -14.594  -2.211   4.142
  183    HB1  ALA  24           HB1      ALA  24 -13.125   0.326   3.484
  184    HB2  ALA  24           HB2      ALA  24 -12.800  -0.725   4.863
  185    HB3  ALA  24           HB3      ALA  24 -14.343   0.126   4.741
  186    H    LEU  25           H        LEU  25 -13.903  -0.218   1.288
  187    HA   LEU  25           HA       LEU  25 -16.662   0.586   1.055
  188    HB2  LEU  25           HB2      LEU  25 -14.178   1.377  -0.420
  189    HB3  LEU  25           HB3      LEU  25 -15.765   1.843  -0.999
  190    HG   LEU  25           HG       LEU  25 -16.096   3.008   1.215
  191   HD11  LEU  25          HD11      LEU  25 -13.146   2.504   1.514
  192   HD12  LEU  25          HD12      LEU  25 -14.431   1.844   2.530
  193   HD13  LEU  25          HD13      LEU  25 -14.116   3.578   2.523
  194   HD21  LEU  25          HD21      LEU  25 -13.824   3.922  -0.525
  195   HD22  LEU  25          HD22      LEU  25 -14.731   4.941   0.589
  196   HD23  LEU  25          HD23      LEU  25 -15.539   4.214  -0.804
  197    H    LEU  26           H        LEU  26 -14.635  -1.766  -0.510
  198    HA   LEU  26           HA       LEU  26 -16.498  -1.906  -2.745
  199    HB2  LEU  26           HB2      LEU  26 -14.201  -1.757  -3.377
  200    HB3  LEU  26           HB3      LEU  26 -13.774  -3.084  -2.318
  201    HG   LEU  26           HG       LEU  26 -15.200  -4.538  -3.781
  202   HD11  LEU  26          HD11      LEU  26 -15.560  -3.795  -6.092
  203   HD12  LEU  26          HD12      LEU  26 -15.039  -2.175  -5.626
  204   HD13  LEU  26          HD13      LEU  26 -16.500  -2.866  -4.924
  205   HD21  LEU  26          HD21      LEU  26 -12.716  -3.278  -4.941
  206   HD22  LEU  26          HD22      LEU  26 -13.429  -4.796  -5.489
  207   HD23  LEU  26          HD23      LEU  26 -12.793  -4.667  -3.849
  208    H    ALA  27           H        ALA  27 -15.623  -3.590   0.009
  209    HA   ALA  27           HA       ALA  27 -17.012  -5.988  -0.949
  210    HB1  ALA  27           HB1      ALA  27 -14.713  -6.400  -0.244
  211    HB2  ALA  27           HB2      ALA  27 -15.852  -7.252   0.796
  212    HB3  ALA  27           HB3      ALA  27 -15.080  -5.765   1.353
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1  11.676  -8.586  -0.667
    2    H2   ARG   1           HT2      ARG   1  12.591  -9.348  -1.859
    3    H3   ARG   1           HT3      ARG   1  11.094  -9.952  -1.453
    4    HA   ARG   1           HA       ARG   1  11.070  -8.711  -3.558
    5    HB2  ARG   1           HB2      ARG   1   9.645  -7.162  -1.374
    6    HB3  ARG   1           HB3      ARG   1   9.248  -7.176  -3.071
    7    HG2  ARG   1           HG2      ARG   1   9.001  -9.513  -1.209
    8    HG3  ARG   1           HG3      ARG   1   7.675  -8.487  -1.751
    9    HD2  ARG   1           HD2      ARG   1   8.284  -9.180  -4.107
   10    HD3  ARG   1           HD3      ARG   1   9.368 -10.360  -3.373
   11    HE   ARG   1           HE       ARG   1   6.450 -10.308  -3.012
   12   HH11  ARG   1          HH11      ARG   1   9.455 -12.215  -3.164
   13   HH12  ARG   1          HH12      ARG   1   8.661 -13.699  -2.995
   14   HH21  ARG   1          HH21      ARG   1   5.385 -12.347  -2.885
   15   HH22  ARG   1          HH22      ARG   1   6.278 -13.782  -2.901
   16    H    ASN   2           H        ASN   2  13.421  -7.765  -1.663
   17    HA   ASN   2           HA       ASN   2  14.915  -6.145  -1.535
   18    HB2  ASN   2           HB2      ASN   2  14.772  -5.814  -4.004
   19    HB3  ASN   2           HB3      ASN   2  13.402  -4.741  -3.783
   20   HD21  ASN   2          HD21      ASN   2  16.795  -5.098  -3.489
   21   HD22  ASN   2          HD22      ASN   2  17.181  -3.441  -3.230
   22    H    LYS   3           H        LYS   3  14.794  -5.260   0.374
   23    HA   LYS   3           HA       LYS   3  12.399  -3.924   1.199
   24    HB2  LYS   3           HB2      LYS   3  13.801  -5.317   2.769
   25    HB3  LYS   3           HB3      LYS   3  14.995  -4.018   2.746
   26    HG2  LYS   3           HG2      LYS   3  12.706  -2.661   3.298
   27    HG3  LYS   3           HG3      LYS   3  12.395  -4.190   4.099
   28    HD2  LYS   3           HD2      LYS   3  13.401  -2.716   5.685
   29    HD3  LYS   3           HD3      LYS   3  14.597  -3.953   5.272
   30    HE2  LYS   3           HE2      LYS   3  15.763  -2.439   3.842
   31    HE3  LYS   3           HE3      LYS   3  14.488  -1.239   3.940
   32    HZ1  LYS   3           HZ1      LYS   3  16.239  -2.100   6.185
   33    HZ2  LYS   3           HZ2      LYS   3  15.007  -0.960   6.284
   34    HZ3  LYS   3           HZ3      LYS   3  16.358  -0.641   5.337
   35    H    LEU   4           H        LEU   4  12.165  -2.115   0.146
   36    HA   LEU   4           HA       LEU   4  14.118  -0.009   0.701
   37    HB2  LEU   4           HB2      LEU   4  14.265  -0.798  -1.601
   38    HB3  LEU   4           HB3      LEU   4  12.569  -0.429  -1.871
   39    HG   LEU   4           HG       LEU   4  13.212   2.000  -1.363
   40   HD11  LEU   4          HD11      LEU   4  15.366   1.505  -0.301
   41   HD12  LEU   4          HD12      LEU   4  15.549   2.595  -1.676
   42   HD13  LEU   4          HD13      LEU   4  15.969   0.892  -1.839
   43   HD21  LEU   4          HD21      LEU   4  14.377   0.637  -3.782
   44   HD22  LEU   4          HD22      LEU   4  14.051   2.365  -3.648
   45   HD23  LEU   4          HD23      LEU   4  12.721   1.210  -3.614
   46    H    ALA   5           H        ALA   5  13.137   1.947   1.216
   47    HA   ALA   5           HA       ALA   5  10.620   1.859   2.419
   48    HB1  ALA   5           HB1      ALA   5  12.183   4.285   1.535
   49    HB2  ALA   5           HB2      ALA   5  12.371   3.448   3.077
   50    HB3  ALA   5           HB3      ALA   5  10.860   4.270   2.701
   51    H    TYR   6           H        TYR   6  11.593   2.824  -0.718
   52    HA   TYR   6           HA       TYR   6   9.033   3.913  -1.395
   53    HB2  TYR   6           HB2      TYR   6  11.388   3.253  -3.138
   54    HB3  TYR   6           HB3      TYR   6   9.920   4.034  -3.725
   55    HD1  TYR   6           HD1      TYR   6   9.328   6.313  -2.978
   56    HD2  TYR   6           HD2      TYR   6  13.010   4.485  -1.871
   57    HE1  TYR   6           HE1      TYR   6  10.208   8.503  -2.304
   58    HE2  TYR   6           HE2      TYR   6  13.897   6.674  -1.185
   59    HH   TYR   6           HH       TYR   6  13.470   9.043  -1.715
   60    H    ASN   7           H        ASN   7  10.477   0.800  -1.607
   61    HA   ASN   7           HA       ASN   7   8.491  -0.199  -3.452
   62    HB2  ASN   7           HB2      ASN   7  10.430  -1.754  -1.712
   63    HB3  ASN   7           HB3      ASN   7   9.330  -2.477  -2.868
   64   HD21  ASN   7          HD21      ASN   7  12.140  -2.740  -2.795
   65   HD22  ASN   7          HD22      ASN   7  12.780  -2.049  -4.222
   66    H    MET   8           H        MET   8   9.236  -0.872  -0.089
   67    HA   MET   8           HA       MET   8   6.677  -2.097   0.226
   68    HB2  MET   8           HB2      MET   8   8.769  -1.569   2.327
   69    HB3  MET   8           HB3      MET   8   7.311  -2.511   2.557
   70    HG2  MET   8           HG2      MET   8   9.691  -3.177   0.837
   71    HG3  MET   8           HG3      MET   8   9.079  -4.051   2.234
   72    HE1  MET   8           HE1      MET   8   6.557  -5.270   2.165
   73    HE2  MET   8           HE2      MET   8   5.655  -5.428   0.652
   74    HE3  MET   8           HE3      MET   8   5.842  -3.849   1.392
   75    H    GLY   9           H        GLY   9   8.182   0.690   1.831
   76    HA2  GLY   9           HA2      GLY   9   5.902   1.354   3.355
   77    HA3  GLY   9           HA3      GLY   9   7.270   2.406   3.058
   78    H    HIS  10           H        HIS  10   7.105   2.741   0.328
   79    HA   HIS  10           HA       HIS  10   5.116   4.772   0.131
   80    HB2  HIS  10           HB2      HIS  10   7.261   4.783  -1.091
   81    HB3  HIS  10           HB3      HIS  10   6.691   3.449  -2.092
   82    HD1  HIS  10           HD1      HIS  10   4.639   6.484  -1.171
   83    HD2  HIS  10           HD2      HIS  10   6.563   4.841  -4.458
   84    HE1  HIS  10           HE1      HIS  10   3.986   7.866  -3.071
   85    H    TYR  11           H        TYR  11   5.205   1.463  -1.098
   86    HA   TYR  11           HA       TYR  11   2.650   1.669  -2.325
   87    HB2  TYR  11           HB2      TYR  11   4.499  -0.520  -1.731
   88    HB3  TYR  11           HB3      TYR  11   2.822  -0.940  -2.047
   89    HD1  TYR  11           HD1      TYR  11   5.874   0.488  -3.527
   90    HD2  TYR  11           HD2      TYR  11   1.880  -0.744  -4.186
   91    HE1  TYR  11           HE1      TYR  11   6.256   0.602  -5.976
   92    HE2  TYR  11           HE2      TYR  11   2.216  -0.649  -6.597
   93    HH   TYR  11           HH       TYR  11   3.695   0.496  -8.194
   94    H    ALA  12           H        ALA  12   3.756   0.736   0.844
   95    HA   ALA  12           HA       ALA  12   1.518  -0.596   1.781
   96    HB1  ALA  12           HB1      ALA  12   3.637  -0.417   3.009
   97    HB2  ALA  12           HB2      ALA  12   2.252   0.007   4.021
   98    HB3  ALA  12           HB3      ALA  12   3.277   1.273   3.352
   99    H    GLY  13           H        GLY  13   2.226   2.845   1.948
  100    HA2  GLY  13           HA2      GLY  13  -0.159   3.651   3.222
  101    HA3  GLY  13           HA3      GLY  13   0.852   4.660   2.201
  102    H    LYS  14           H        LYS  14   0.635   3.180  -0.159
  103    HA   LYS  14           HA       LYS  14  -1.847   4.314  -1.015
  104    HB2  LYS  14           HB2      LYS  14   0.484   3.099  -2.430
  105    HB3  LYS  14           HB3      LYS  14  -1.038   3.214  -3.285
  106    HG2  LYS  14           HG2      LYS  14   0.378   5.090  -3.899
  107    HG3  LYS  14           HG3      LYS  14  -0.992   5.681  -2.990
  108    HD2  LYS  14           HD2      LYS  14   1.686   5.205  -1.673
  109    HD3  LYS  14           HD3      LYS  14   1.344   6.699  -2.537
  110    HE2  LYS  14           HE2      LYS  14  -0.577   7.096  -1.040
  111    HE3  LYS  14           HE3      LYS  14  -0.197   5.620  -0.170
  112    HZ1  LYS  14           HZ1      LYS  14   2.007   6.680   0.403
  113    HZ2  LYS  14           HZ2      LYS  14   0.680   7.422   1.045
  114    HZ3  LYS  14           HZ3      LYS  14   1.425   8.120  -0.274
  115    H    ALA  15           H        ALA  15  -0.624   1.110  -0.423
  116    HA   ALA  15           HA       ALA  15  -2.789  -0.255  -1.622
  117    HB1  ALA  15           HB1      ALA  15  -0.846  -1.241   0.469
  118    HB2  ALA  15           HB2      ALA  15  -0.642  -1.358  -1.285
  119    HB3  ALA  15           HB3      ALA  15  -1.955  -2.228  -0.483
  120    H    THR  16           H        THR  16  -2.233   1.026   1.573
  121    HA   THR  16           HA       THR  16  -4.484  -0.294   2.674
  122    HB   THR  16           HB       THR  16  -3.196   2.236   3.725
  123    HG1  THR  16           HG1      THR  16  -2.644  -0.496   4.398
  124   HG21  THR  16          HG21      THR  16  -5.361   1.642   4.741
  125   HG22  THR  16          HG22      THR  16  -4.041   1.425   5.899
  126   HG23  THR  16          HG23      THR  16  -4.745   0.026   5.078
  127    H    ILE  17           H        ILE  17  -4.016   2.873   1.143
  128    HA   ILE  17           HA       ILE  17  -6.760   3.452   1.685
  129    HB   ILE  17           HB       ILE  17  -5.349   5.389   1.591
  130   HG12  ILE  17          HG12      ILE  17  -7.159   5.397  -0.837
  131   HG13  ILE  17          HG13      ILE  17  -7.688   5.643   0.818
  132   HG21  ILE  17          HG21      ILE  17  -4.223   6.168  -0.446
  133   HG22  ILE  17          HG22      ILE  17  -4.698   4.675  -1.262
  134   HG23  ILE  17          HG23      ILE  17  -3.608   4.617   0.126
  135   HD11  ILE  17          HD11      ILE  17  -7.543   7.740  -0.379
  136   HD12  ILE  17          HD12      ILE  17  -5.847   7.437  -0.753
  137   HD13  ILE  17          HD13      ILE  17  -6.353   7.697   0.921
  138    H    PHE  18           H        PHE  18  -5.032   2.659  -1.328
  139    HA   PHE  18           HA       PHE  18  -7.505   2.557  -2.762
  140    HB2  PHE  18           HB2      PHE  18  -4.715   1.872  -3.651
  141    HB3  PHE  18           HB3      PHE  18  -6.117   1.964  -4.710
  142    HD1  PHE  18           HD1      PHE  18  -7.524   4.271  -4.022
  143    HD2  PHE  18           HD2      PHE  18  -3.325   3.660  -3.951
  144    HE1  PHE  18           HE1      PHE  18  -7.174   6.699  -4.318
  145    HE2  PHE  18           HE2      PHE  18  -2.959   6.074  -4.238
  146    HZ   PHE  18           HZ       PHE  18  -4.885   7.596  -4.418
  147    H    GLY  19           H        GLY  19  -5.053   0.143  -1.982
  148    HA2  GLY  19           HA2      GLY  19  -6.364  -2.067  -3.114
  149    HA3  GLY  19           HA3      GLY  19  -5.135  -2.125  -1.848
  150    H    LEU  20           H        LEU  20  -6.148  -1.082   0.255
  151    HA   LEU  20           HA       LEU  20  -7.852  -3.031   1.267
  152    HB2  LEU  20           HB2      LEU  20  -6.342  -1.143   2.369
  153    HB3  LEU  20           HB3      LEU  20  -7.915  -0.390   2.556
  154    HG   LEU  20           HG       LEU  20  -8.640  -2.576   3.586
  155   HD11  LEU  20          HD11      LEU  20  -6.836  -3.910   4.590
  156   HD12  LEU  20          HD12      LEU  20  -5.663  -2.850   3.795
  157   HD13  LEU  20          HD13      LEU  20  -6.705  -3.871   2.820
  158   HD21  LEU  20          HD21      LEU  20  -6.619  -0.837   5.009
  159   HD22  LEU  20          HD22      LEU  20  -7.774  -1.916   5.786
  160   HD23  LEU  20          HD23      LEU  20  -8.350  -0.526   4.866
  161    H    ALA  21           H        ALA  21  -8.635   0.081  -0.251
  162    HA   ALA  21           HA       ALA  21 -11.260   0.372   0.487
  163    HB1  ALA  21           HB1      ALA  21 -10.099   0.962  -2.227
  164    HB2  ALA  21           HB2      ALA  21 -10.000   2.024  -0.819
  165    HB3  ALA  21           HB3      ALA  21 -11.570   1.657  -1.540
  166    H    ALA  22           H        ALA  22  -9.926  -2.058  -1.615
  167    HA   ALA  22           HA       ALA  22 -12.344  -2.677  -2.966
  168    HB1  ALA  22           HB1      ALA  22 -11.295  -4.778  -3.553
  169    HB2  ALA  22           HB2      ALA  22 -10.017  -4.500  -2.375
  170    HB3  ALA  22           HB3      ALA  22 -10.155  -3.453  -3.798
  171    H    TRP  23           H        TRP  23 -10.949  -3.663   0.073
  172    HA   TRP  23           HA       TRP  23 -13.129  -5.523   0.482
  173    HB2  TRP  23           HB2      TRP  23 -10.478  -5.526   1.262
  174    HB3  TRP  23           HB3      TRP  23 -11.365  -5.176   2.741
  175    HD1  TRP  23           HD1      TRP  23 -11.847  -7.385   3.992
  176    HE1  TRP  23           HE1      TRP  23 -12.523  -9.772   3.329
  177    HE3  TRP  23           HE3      TRP  23 -11.869  -6.796  -1.066
  178    HZ2  TRP  23           HZ2      TRP  23 -13.027 -11.223   0.906
  179    HZ3  TRP  23           HZ3      TRP  23 -12.461  -8.670  -2.486
  180    HH2  TRP  23           HH2      TRP  23 -13.031 -10.862  -1.529
  181    H    ALA  24           H        ALA  24 -11.949  -2.503   1.678
  182    HA   ALA  24           HA       ALA  24 -13.874  -2.286   3.759
  183    HB1  ALA  24           HB1      ALA  24 -11.706  -1.179   3.869
  184    HB2  ALA  24           HB2      ALA  24 -13.033  -0.033   4.054
  185    HB3  ALA  24           HB3      ALA  24 -12.171  -0.144   2.519
  186    H    LEU  25           H        LEU  25 -13.481  -0.504   0.729
  187    HA   LEU  25           HA       LEU  25 -16.010   0.837   1.022
  188    HB2  LEU  25           HB2      LEU  25 -13.883   1.883   0.193
  189    HB3  LEU  25           HB3      LEU  25 -14.035   0.911  -1.221
  190    HG   LEU  25           HG       LEU  25 -16.150   2.003  -1.843
  191   HD11  LEU  25          HD11      LEU  25 -15.616   3.783   0.533
  192   HD12  LEU  25          HD12      LEU  25 -16.969   2.661   0.339
  193   HD13  LEU  25          HD13      LEU  25 -16.831   4.067  -0.709
  194   HD21  LEU  25          HD21      LEU  25 -13.855   3.903  -1.366
  195   HD22  LEU  25          HD22      LEU  25 -15.176   4.162  -2.504
  196   HD23  LEU  25          HD23      LEU  25 -14.043   2.840  -2.758
  197    H    LEU  26           H        LEU  26 -14.583  -1.539  -1.189
  198    HA   LEU  26           HA       LEU  26 -16.834  -1.514  -2.963
  199    HB2  LEU  26           HB2      LEU  26 -14.608  -1.682  -3.844
  200    HB3  LEU  26           HB3      LEU  26 -14.293  -3.110  -2.884
  201    HG   LEU  26           HG       LEU  26 -16.099  -4.232  -4.214
  202   HD11  LEU  26          HD11      LEU  26 -16.557  -3.334  -6.452
  203   HD12  LEU  26          HD12      LEU  26 -15.707  -1.846  -6.010
  204   HD13  LEU  26          HD13      LEU  26 -17.181  -2.307  -5.160
  205   HD21  LEU  26          HD21      LEU  26 -14.566  -4.744  -6.071
  206   HD22  LEU  26          HD22      LEU  26 -13.761  -4.744  -4.512
  207   HD23  LEU  26          HD23      LEU  26 -13.567  -3.366  -5.602
  208    H    ALA  27           H        ALA  27 -15.998  -3.238  -0.250
  209    HA   ALA  27           HA       ALA  27 -17.805  -5.424  -1.018
  210    HB1  ALA  27           HB1      ALA  27 -15.819  -5.419   1.257
  211    HB2  ALA  27           HB2      ALA  27 -15.551  -6.145  -0.321
  212    HB3  ALA  27           HB3      ALA  27 -16.805  -6.785   0.738
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1  13.597 -10.964  -3.852
    2    H2   ARG   1           HT2      ARG   1  13.617  -9.486  -4.695
    3    H3   ARG   1           HT3      ARG   1  12.429  -9.792  -3.571
    4    HA   ARG   1           HA       ARG   1  13.952  -9.714  -1.764
    5    HB2  ARG   1           HB2      ARG   1  16.023  -9.195  -3.914
    6    HB3  ARG   1           HB3      ARG   1  16.295  -9.025  -2.194
    7    HG2  ARG   1           HG2      ARG   1  15.688 -11.581  -3.661
    8    HG3  ARG   1           HG3      ARG   1  17.253 -11.069  -3.055
    9    HD2  ARG   1           HD2      ARG   1  16.389 -11.088  -0.775
   10    HD3  ARG   1           HD3      ARG   1  14.818 -11.617  -1.376
   11    HE   ARG   1           HE       ARG   1  17.059 -13.281  -2.115
   12   HH11  ARG   1          HH11      ARG   1  14.582 -12.769   0.365
   13   HH12  ARG   1          HH12      ARG   1  14.475 -14.404   0.779
   14   HH21  ARG   1          HH21      ARG   1  16.939 -15.485  -1.509
   15   HH22  ARG   1          HH22      ARG   1  15.890 -15.995  -0.268
   16    H    ASN   2           H        ASN   2  15.032  -7.714  -1.046
   17    HA   ASN   2           HA       ASN   2  15.404  -5.560  -0.852
   18    HB2  ASN   2           HB2      ASN   2  14.696  -5.354  -3.770
   19    HB3  ASN   2           HB3      ASN   2  15.203  -3.979  -2.799
   20   HD21  ASN   2          HD21      ASN   2  17.274  -3.932  -2.022
   21   HD22  ASN   2          HD22      ASN   2  18.563  -4.857  -2.698
   22    H    LYS   3           H        LYS   3  14.475  -3.526  -0.591
   23    HA   LYS   3           HA       LYS   3  11.644  -3.182  -0.914
   24    HB2  LYS   3           HB2      LYS   3  11.269  -2.680   1.452
   25    HB3  LYS   3           HB3      LYS   3  11.739  -4.360   1.239
   26    HG2  LYS   3           HG2      LYS   3  13.842  -4.031   2.080
   27    HG3  LYS   3           HG3      LYS   3  13.741  -2.288   1.764
   28    HD2  LYS   3           HD2      LYS   3  12.033  -3.687   3.823
   29    HD3  LYS   3           HD3      LYS   3  13.602  -2.982   4.223
   30    HE2  LYS   3           HE2      LYS   3  12.809  -0.796   3.392
   31    HE3  LYS   3           HE3      LYS   3  11.241  -1.492   3.044
   32    HZ1  LYS   3           HZ1      LYS   3  11.265  -0.291   5.121
   33    HZ2  LYS   3           HZ2      LYS   3  12.452  -1.277   5.752
   34    HZ3  LYS   3           HZ3      LYS   3  10.923  -1.901   5.385
   35    H    LEU   4           H        LEU   4  11.226  -0.928   0.285
   36    HA   LEU   4           HA       LEU   4  13.350   0.920   0.425
   37    HB2  LEU   4           HB2      LEU   4  13.167   0.429  -2.057
   38    HB3  LEU   4           HB3      LEU   4  11.549   1.098  -2.008
   39    HG   LEU   4           HG       LEU   4  12.603   3.278  -1.242
   40   HD11  LEU   4          HD11      LEU   4  14.722   2.368  -0.440
   41   HD12  LEU   4          HD12      LEU   4  14.976   3.583  -1.698
   42   HD13  LEU   4          HD13      LEU   4  15.133   1.873  -2.081
   43   HD21  LEU   4          HD21      LEU   4  11.872   2.924  -3.535
   44   HD22  LEU   4          HD22      LEU   4  13.433   2.208  -3.936
   45   HD23  LEU   4          HD23      LEU   4  13.333   3.908  -3.483
   46    H    ALA   5           H        ALA   5  12.339   3.060   0.785
   47    HA   ALA   5           HA       ALA   5  10.066   2.955   2.381
   48    HB1  ALA   5           HB1      ALA   5  11.775   4.704   2.501
   49    HB2  ALA   5           HB2      ALA   5  10.159   5.397   2.322
   50    HB3  ALA   5           HB3      ALA   5  11.249   5.299   0.931
   51    H    TYR   6           H        TYR   6  10.453   3.628  -0.969
   52    HA   TYR   6           HA       TYR   6   7.700   4.346  -1.363
   53    HB2  TYR   6           HB2      TYR   6   9.861   3.724  -3.348
   54    HB3  TYR   6           HB3      TYR   6   8.240   4.216  -3.816
   55    HD1  TYR   6           HD1      TYR   6  11.403   5.310  -2.332
   56    HD2  TYR   6           HD2      TYR   6   7.484   6.473  -3.484
   57    HE1  TYR   6           HE1      TYR   6  12.043   7.666  -2.123
   58    HE2  TYR   6           HE2      TYR   6   8.099   8.820  -3.280
   59    HH   TYR   6           HH       TYR   6  11.358   9.782  -2.977
   60    H    ASN   7           H        ASN   7   9.501   1.503  -1.334
   61    HA   ASN   7           HA       ASN   7   7.655  -0.109  -2.849
   62    HB2  ASN   7           HB2      ASN   7  10.026  -0.722  -2.750
   63    HB3  ASN   7           HB3      ASN   7   9.924  -0.899  -1.006
   64   HD21  ASN   7          HD21      ASN   7   9.301  -2.316  -4.047
   65   HD22  ASN   7          HD22      ASN   7   8.775  -3.863  -3.489
   66    H    MET   8           H        MET   8   8.671  -0.108   0.526
   67    HA   MET   8           HA       MET   8   6.315  -1.529   1.185
   68    HB2  MET   8           HB2      MET   8   8.637  -0.690   2.819
   69    HB3  MET   8           HB3      MET   8   7.196  -1.351   3.587
   70    HG2  MET   8           HG2      MET   8   8.739  -2.778   1.428
   71    HG3  MET   8           HG3      MET   8   9.122  -2.925   3.132
   72    HE1  MET   8           HE1      MET   8   5.273  -3.057   1.386
   73    HE2  MET   8           HE2      MET   8   5.383  -4.771   1.040
   74    HE3  MET   8           HE3      MET   8   6.521  -3.654   0.291
   75    H    GLY   9           H        GLY   9   7.508   1.627   2.330
   76    HA2  GLY   9           HA2      GLY   9   5.226   2.117   3.902
   77    HA3  GLY   9           HA3      GLY   9   6.425   3.303   3.415
   78    H    HIS  10           H        HIS  10   6.126   3.305   0.706
   79    HA   HIS  10           HA       HIS  10   3.828   4.995   0.382
   80    HB2  HIS  10           HB2      HIS  10   5.995   5.128  -0.894
   81    HB3  HIS  10           HB3      HIS  10   5.456   3.721  -1.814
   82    HD1  HIS  10           HD1      HIS  10   3.854   7.041  -0.842
   83    HD2  HIS  10           HD2      HIS  10   4.482   4.602  -4.130
   84    HE1  HIS  10           HE1      HIS  10   2.744   8.177  -2.727
   85    H    TYR  11           H        TYR  11   4.437   1.619  -0.553
   86    HA   TYR  11           HA       TYR  11   1.871   1.356  -1.705
   87    HB2  TYR  11           HB2      TYR  11   4.035  -0.530  -1.058
   88    HB3  TYR  11           HB3      TYR  11   2.414  -1.189  -1.257
   89    HD1  TYR  11           HD1      TYR  11   1.270  -1.022  -3.371
   90    HD2  TYR  11           HD2      TYR  11   5.262   0.336  -2.941
   91    HE1  TYR  11           HE1      TYR  11   1.498  -1.041  -5.773
   92    HE2  TYR  11           HE2      TYR  11   5.528   0.337  -5.389
   93    HH   TYR  11           HH       TYR  11   4.501  -0.869  -7.285
   94    H    ALA  12           H        ALA  12   3.085   0.806   1.541
   95    HA   ALA  12           HA       ALA  12   0.899  -0.613   2.515
   96    HB1  ALA  12           HB1      ALA  12   2.603   1.386   3.985
   97    HB2  ALA  12           HB2      ALA  12   2.986  -0.317   3.757
   98    HB3  ALA  12           HB3      ALA  12   1.586   0.151   4.731
   99    H    GLY  13           H        GLY  13   1.478   2.847   2.349
  100    HA2  GLY  13           HA2      GLY  13  -1.033   3.577   3.472
  101    HA3  GLY  13           HA3      GLY  13   0.010   4.641   2.542
  102    H    LYS  14           H        LYS  14   0.147   3.185   0.175
  103    HA   LYS  14           HA       LYS  14  -2.124   4.005  -1.227
  104    HB2  LYS  14           HB2      LYS  14   0.377   2.764  -1.793
  105    HB3  LYS  14           HB3      LYS  14  -0.887   1.916  -2.674
  106    HG2  LYS  14           HG2      LYS  14   0.150   3.692  -3.986
  107    HG3  LYS  14           HG3      LYS  14  -1.567   3.977  -3.731
  108    HD2  LYS  14           HD2      LYS  14  -1.026   5.599  -1.966
  109    HD3  LYS  14           HD3      LYS  14   0.698   5.254  -2.190
  110    HE2  LYS  14           HE2      LYS  14   0.662   6.123  -4.388
  111    HE3  LYS  14           HE3      LYS  14  -1.103   6.289  -4.371
  112    HZ1  LYS  14           HZ1      LYS  14  -0.837   7.957  -2.648
  113    HZ2  LYS  14           HZ2      LYS  14   0.000   8.395  -4.036
  114    HZ3  LYS  14           HZ3      LYS  14   0.835   7.791  -2.713
  115    H    ALA  15           H        ALA  15  -1.247   0.823  -0.024
  116    HA   ALA  15           HA       ALA  15  -3.526  -0.475  -1.110
  117    HB1  ALA  15           HB1      ALA  15  -1.487  -1.707  -0.549
  118    HB2  ALA  15           HB2      ALA  15  -2.905  -2.370   0.278
  119    HB3  ALA  15           HB3      ALA  15  -1.751  -1.372   1.167
  120    H    THR  16           H        THR  16  -2.957   1.295   1.783
  121    HA   THR  16           HA       THR  16  -5.280   0.364   3.125
  122    HB   THR  16           HB       THR  16  -3.705   2.911   3.658
  123    HG1  THR  16           HG1      THR  16  -2.351   1.076   3.880
  124   HG21  THR  16          HG21      THR  16  -5.535   1.279   5.418
  125   HG22  THR  16          HG22      THR  16  -5.941   2.837   4.697
  126   HG23  THR  16          HG23      THR  16  -4.661   2.729   5.908
  127    H    ILE  17           H        ILE  17  -4.507   3.147   1.047
  128    HA   ILE  17           HA       ILE  17  -7.195   4.058   1.334
  129    HB   ILE  17           HB       ILE  17  -5.546   5.780   0.959
  130   HG12  ILE  17          HG12      ILE  17  -6.541   6.997  -1.002
  131   HG13  ILE  17          HG13      ILE  17  -7.407   5.525  -1.402
  132   HG21  ILE  17          HG21      ILE  17  -4.952   4.530  -1.692
  133   HG22  ILE  17          HG22      ILE  17  -3.884   4.605  -0.292
  134   HG23  ILE  17          HG23      ILE  17  -4.339   6.088  -1.138
  135   HD11  ILE  17          HD11      ILE  17  -8.589   5.620   0.715
  136   HD12  ILE  17          HD12      ILE  17  -8.826   7.101  -0.206
  137   HD13  ILE  17          HD13      ILE  17  -7.708   7.080   1.160
  138    H    PHE  18           H        PHE  18  -5.453   2.515  -1.351
  139    HA   PHE  18           HA       PHE  18  -7.893   2.356  -2.821
  140    HB2  PHE  18           HB2      PHE  18  -5.180   1.226  -3.459
  141    HB3  PHE  18           HB3      PHE  18  -6.576   1.191  -4.538
  142    HD1  PHE  18           HD1      PHE  18  -3.658   2.868  -3.915
  143    HD2  PHE  18           HD2      PHE  18  -7.770   3.617  -4.629
  144    HE1  PHE  18           HE1      PHE  18  -3.107   5.139  -4.699
  145    HE2  PHE  18           HE2      PHE  18  -7.230   5.877  -5.428
  146    HZ   PHE  18           HZ       PHE  18  -4.896   6.638  -5.458
  147    H    GLY  19           H        GLY  19  -5.694  -0.229  -1.695
  148    HA2  GLY  19           HA2      GLY  19  -7.346  -2.358  -2.339
  149    HA3  GLY  19           HA3      GLY  19  -6.091  -2.392  -1.104
  150    H    LEU  20           H        LEU  20  -6.983  -0.763   0.792
  151    HA   LEU  20           HA       LEU  20  -9.048  -2.232   1.983
  152    HB2  LEU  20           HB2      LEU  20  -7.490   0.057   2.765
  153    HB3  LEU  20           HB3      LEU  20  -9.143   0.103   3.374
  154    HG   LEU  20           HG       LEU  20  -8.761  -2.218   4.155
  155   HD11  LEU  20          HD11      LEU  20  -6.452  -2.931   4.602
  156   HD12  LEU  20          HD12      LEU  20  -5.854  -1.495   3.793
  157   HD13  LEU  20          HD13      LEU  20  -6.729  -2.718   2.870
  158   HD21  LEU  20          HD21      LEU  20  -7.212   0.027   5.391
  159   HD22  LEU  20          HD22      LEU  20  -7.642  -1.484   6.220
  160   HD23  LEU  20          HD23      LEU  20  -8.908  -0.390   5.642
  161    H    ALA  21           H        ALA  21  -9.290   0.642   0.055
  162    HA   ALA  21           HA       ALA  21 -11.962   1.272   0.695
  163    HB1  ALA  21           HB1      ALA  21 -10.558   2.780  -0.631
  164    HB2  ALA  21           HB2      ALA  21 -12.073   2.419  -1.457
  165    HB3  ALA  21           HB3      ALA  21 -10.578   1.621  -1.957
  166    H    ALA  22           H        ALA  22 -10.586  -1.162  -1.358
  167    HA   ALA  22           HA       ALA  22 -13.076  -1.887  -2.592
  168    HB1  ALA  22           HB1      ALA  22 -10.545  -3.495  -2.328
  169    HB2  ALA  22           HB2      ALA  22 -10.921  -2.403  -3.664
  170    HB3  ALA  22           HB3      ALA  22 -11.902  -3.850  -3.395
  171    H    TRP  23           H        TRP  23 -11.469  -2.777   0.330
  172    HA   TRP  23           HA       TRP  23 -13.402  -4.903   0.665
  173    HB2  TRP  23           HB2      TRP  23 -10.818  -4.768   1.465
  174    HB3  TRP  23           HB3      TRP  23 -11.650  -4.198   2.899
  175    HD1  TRP  23           HD1      TRP  23 -11.783  -6.174   4.536
  176    HE1  TRP  23           HE1      TRP  23 -12.623  -8.588   4.395
  177    HE3  TRP  23           HE3      TRP  23 -12.693  -6.419  -0.498
  178    HZ2  TRP  23           HZ2      TRP  23 -13.551 -10.378   2.404
  179    HZ3  TRP  23           HZ3      TRP  23 -13.555  -8.466  -1.442
  180    HH2  TRP  23           HH2      TRP  23 -13.982 -10.444  -0.022
  181    H    ALA  24           H        ALA  24 -12.612  -1.830   2.173
  182    HA   ALA  24           HA       ALA  24 -14.759  -1.990   4.043
  183    HB1  ALA  24           HB1      ALA  24 -13.148   0.392   3.181
  184    HB2  ALA  24           HB2      ALA  24 -12.716  -0.735   4.464
  185    HB3  ALA  24           HB3      ALA  24 -14.159   0.277   4.628
  186    H    LEU  25           H        LEU  25 -14.275  -0.051   1.114
  187    HA   LEU  25           HA       LEU  25 -16.918   1.027   1.372
  188    HB2  LEU  25           HB2      LEU  25 -14.741   1.518  -0.610
  189    HB3  LEU  25           HB3      LEU  25 -16.339   2.252  -0.725
  190    HG   LEU  25           HG       LEU  25 -14.302   2.628   1.497
  191   HD11  LEU  25          HD11      LEU  25 -13.667   3.758  -0.560
  192   HD12  LEU  25          HD12      LEU  25 -14.152   4.927   0.672
  193   HD13  LEU  25          HD13      LEU  25 -15.255   4.518  -0.639
  194   HD21  LEU  25          HD21      LEU  25 -16.563   2.756   2.394
  195   HD22  LEU  25          HD22      LEU  25 -17.020   3.894   1.128
  196   HD23  LEU  25          HD23      LEU  25 -15.834   4.361   2.346
  197    H    LEU  26           H        LEU  26 -15.518  -1.537  -0.461
  198    HA   LEU  26           HA       LEU  26 -17.797  -1.497  -2.299
  199    HB2  LEU  26           HB2      LEU  26 -15.686  -1.579  -3.408
  200    HB3  LEU  26           HB3      LEU  26 -15.149  -2.894  -2.393
  201    HG   LEU  26           HG       LEU  26 -16.996  -4.256  -3.445
  202   HD11  LEU  26          HD11      LEU  26 -16.922  -2.058  -5.495
  203   HD12  LEU  26          HD12      LEU  26 -18.297  -2.515  -4.479
  204   HD13  LEU  26          HD13      LEU  26 -17.692  -3.628  -5.696
  205   HD21  LEU  26          HD21      LEU  26 -15.603  -4.775  -5.421
  206   HD22  LEU  26          HD22      LEU  26 -14.727  -4.733  -3.906
  207   HD23  LEU  26          HD23      LEU  26 -14.597  -3.372  -5.040
  208    H    ALA  27           H        ALA  27 -16.499  -3.241   0.223
  209    HA   ALA  27           HA       ALA  27 -18.252  -5.549  -0.366
  210    HB1  ALA  27           HB1      ALA  27 -15.881  -6.108  -0.161
  211    HB2  ALA  27           HB2      ALA  27 -16.834  -6.900   1.097
  212    HB3  ALA  27           HB3      ALA  27 -15.869  -5.479   1.482
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1  16.640  -5.274  -4.035
    2    H2   ARG   1           HT2      ARG   1  16.777  -6.915  -3.913
    3    H3   ARG   1           HT3      ARG   1  18.055  -5.956  -3.377
    4    HA   ARG   1           HA       ARG   1  16.843  -6.762  -1.492
    5    HB2  ARG   1           HB2      ARG   1  15.886  -3.961  -2.151
    6    HB3  ARG   1           HB3      ARG   1  15.837  -4.695  -0.563
    7    HG2  ARG   1           HG2      ARG   1  18.339  -4.081  -2.122
    8    HG3  ARG   1           HG3      ARG   1  17.658  -3.091  -0.831
    9    HD2  ARG   1           HD2      ARG   1  17.912  -4.964   0.721
   10    HD3  ARG   1           HD3      ARG   1  18.633  -5.930  -0.564
   11    HE   ARG   1           HE       ARG   1  20.046  -3.537  -0.335
   12   HH11  ARG   1          HH11      ARG   1  19.552  -6.579   1.421
   13   HH12  ARG   1          HH12      ARG   1  21.003  -6.476   2.291
   14   HH21  ARG   1          HH21      ARG   1  22.082  -3.418   0.895
   15   HH22  ARG   1          HH22      ARG   1  22.452  -4.654   1.997
   16    H    ASN   2           H        ASN   2  14.621  -6.460  -0.412
   17    HA   ASN   2           HA       ASN   2  12.527  -6.993  -2.392
   18    HB2  ASN   2           HB2      ASN   2  13.017  -8.249   0.297
   19    HB3  ASN   2           HB3      ASN   2  11.425  -8.274  -0.434
   20   HD21  ASN   2          HD21      ASN   2  11.062  -9.539  -2.183
   21   HD22  ASN   2          HD22      ASN   2  12.170 -10.746  -2.736
   22    H    LYS   3           H        LYS   3  13.297  -5.698   0.706
   23    HA   LYS   3           HA       LYS   3  10.753  -4.264   0.810
   24    HB2  LYS   3           HB2      LYS   3  11.486  -5.583   2.771
   25    HB3  LYS   3           HB3      LYS   3  12.929  -4.599   2.877
   26    HG2  LYS   3           HG2      LYS   3  11.131  -2.647   2.986
   27    HG3  LYS   3           HG3      LYS   3  10.111  -3.959   3.583
   28    HD2  LYS   3           HD2      LYS   3  11.119  -2.855   5.443
   29    HD3  LYS   3           HD3      LYS   3  11.860  -4.447   5.285
   30    HE2  LYS   3           HE2      LYS   3  13.766  -3.371   4.047
   31    HE3  LYS   3           HE3      LYS   3  12.997  -1.821   4.319
   32    HZ1  LYS   3           HZ1      LYS   3  13.962  -3.665   6.420
   33    HZ2  LYS   3           HZ2      LYS   3  13.209  -2.193   6.693
   34    HZ3  LYS   3           HZ3      LYS   3  14.713  -2.235   5.928
   35    H    LEU   4           H        LEU   4  10.773  -2.021   1.182
   36    HA   LEU   4           HA       LEU   4  13.185  -0.475   1.205
   37    HB2  LEU   4           HB2      LEU   4  12.809  -0.931  -1.180
   38    HB3  LEU   4           HB3      LEU   4  11.186  -0.263  -1.075
   39    HG   LEU   4           HG       LEU   4  12.322   1.934  -0.415
   40   HD11  LEU   4          HD11      LEU   4  14.498   1.010   0.166
   41   HD12  LEU   4          HD12      LEU   4  14.610   2.252  -1.077
   42   HD13  LEU   4          HD13      LEU   4  14.749   0.555  -1.523
   43   HD21  LEU   4          HD21      LEU   4  12.808   2.534  -2.729
   44   HD22  LEU   4          HD22      LEU   4  11.330   1.580  -2.598
   45   HD23  LEU   4          HD23      LEU   4  12.822   0.827  -3.170
   46    H    ALA   5           H        ALA   5  12.622   1.705   1.759
   47    HA   ALA   5           HA       ALA   5  10.519   2.046   3.552
   48    HB1  ALA   5           HB1      ALA   5  12.010   4.167   2.009
   49    HB2  ALA   5           HB2      ALA   5  12.546   3.417   3.502
   50    HB3  ALA   5           HB3      ALA   5  11.089   4.420   3.498
   51    H    TYR   6           H        TYR   6  10.788   2.993   0.235
   52    HA   TYR   6           HA       TYR   6   8.142   4.040   0.112
   53    HB2  TYR   6           HB2      TYR   6  10.130   3.452  -2.072
   54    HB3  TYR   6           HB3      TYR   6   8.525   4.096  -2.396
   55    HD1  TYR   6           HD1      TYR   6  11.751   4.831  -0.727
   56    HD2  TYR   6           HD2      TYR   6   7.996   6.352  -2.004
   57    HE1  TYR   6           HE1      TYR   6  12.521   7.112  -0.253
   58    HE2  TYR   6           HE2      TYR   6   8.748   8.628  -1.553
   59    HH   TYR   6           HH       TYR   6  12.038   9.353  -0.865
   60    H    ASN   7           H        ASN   7   9.407   0.943  -0.179
   61    HA   ASN   7           HA       ASN   7   7.253  -0.144  -1.747
   62    HB2  ASN   7           HB2      ASN   7   9.412  -1.322  -1.715
   63    HB3  ASN   7           HB3      ASN   7   9.269  -1.537   0.024
   64   HD21  ASN   7          HD21      ASN   7   8.012  -2.502  -3.060
   65   HD22  ASN   7          HD22      ASN   7   7.257  -3.969  -2.549
   66    H    MET   8           H        MET   8   8.206  -0.471   1.613
   67    HA   MET   8           HA       MET   8   5.633  -1.484   2.266
   68    HB2  MET   8           HB2      MET   8   8.000  -0.895   4.013
   69    HB3  MET   8           HB3      MET   8   6.464  -1.453   4.654
   70    HG2  MET   8           HG2      MET   8   7.932  -3.009   2.546
   71    HG3  MET   8           HG3      MET   8   8.316  -3.155   4.255
   72    HE1  MET   8           HE1      MET   8   5.709  -3.743   1.413
   73    HE2  MET   8           HE2      MET   8   4.506  -2.985   2.498
   74    HE3  MET   8           HE3      MET   8   4.469  -4.705   2.193
   75    H    GLY   9           H        GLY   9   7.311   1.498   3.218
   76    HA2  GLY   9           HA2      GLY   9   5.127   2.371   4.828
   77    HA3  GLY   9           HA3      GLY   9   6.559   3.290   4.395
   78    H    HIS  10           H        HIS  10   6.341   3.366   1.666
   79    HA   HIS  10           HA       HIS  10   4.436   5.496   1.371
   80    HB2  HIS  10           HB2      HIS  10   6.610   5.383   0.189
   81    HB3  HIS  10           HB3      HIS  10   5.979   4.048  -0.781
   82    HD1  HIS  10           HD1      HIS  10   5.074   7.641   0.024
   83    HD2  HIS  10           HD2      HIS  10   4.871   4.875  -3.037
   84    HE1  HIS  10           HE1      HIS  10   3.994   8.811  -1.810
   85    H    TYR  11           H        TYR  11   4.506   2.153   0.172
   86    HA   TYR  11           HA       TYR  11   1.979   2.425  -1.059
   87    HB2  TYR  11           HB2      TYR  11   3.600   0.016  -0.387
   88    HB3  TYR  11           HB3      TYR  11   1.954  -0.155  -0.984
   89    HD1  TYR  11           HD1      TYR  11   1.364   0.643  -3.220
   90    HD2  TYR  11           HD2      TYR  11   5.370   0.621  -1.865
   91    HE1  TYR  11           HE1      TYR  11   2.123   0.869  -5.538
   92    HE2  TYR  11           HE2      TYR  11   6.171   0.849  -4.199
   93    HH   TYR  11           HH       TYR  11   5.327   0.376  -6.459
   94    H    ALA  12           H        ALA  12   2.920   1.643   2.209
   95    HA   ALA  12           HA       ALA  12   0.526   0.542   3.087
   96    HB1  ALA  12           HB1      ALA  12   2.520   0.691   4.503
   97    HB2  ALA  12           HB2      ALA  12   1.104   1.366   5.316
   98    HB3  ALA  12           HB3      ALA  12   2.315   2.439   4.599
   99    H    GLY  13           H        GLY  13   1.429   3.909   2.709
  100    HA2  GLY  13           HA2      GLY  13  -1.062   4.926   3.676
  101    HA3  GLY  13           HA3      GLY  13   0.135   5.835   2.763
  102    H    LYS  14           H        LYS  14   0.249   4.346   0.458
  103    HA   LYS  14           HA       LYS  14  -2.047   5.445  -0.793
  104    HB2  LYS  14           HB2      LYS  14   0.410   4.133  -1.852
  105    HB3  LYS  14           HB3      LYS  14  -0.983   4.302  -2.910
  106    HG2  LYS  14           HG2      LYS  14   0.606   6.172  -3.170
  107    HG3  LYS  14           HG3      LYS  14  -0.975   6.713  -2.615
  108    HD2  LYS  14           HD2      LYS  14  -0.040   6.729  -0.277
  109    HD3  LYS  14           HD3      LYS  14   1.532   6.387  -0.981
  110    HE2  LYS  14           HE2      LYS  14   1.453   8.453  -2.258
  111    HE3  LYS  14           HE3      LYS  14  -0.171   8.776  -1.658
  112    HZ1  LYS  14           HZ1      LYS  14   1.477  10.030  -0.398
  113    HZ2  LYS  14           HZ2      LYS  14   2.292   8.628  -0.011
  114    HZ3  LYS  14           HZ3      LYS  14   0.755   8.886   0.601
  115    H    ALA  15           H        ALA  15  -1.186   2.215   0.102
  116    HA   ALA  15           HA       ALA  15  -3.299   1.055  -1.408
  117    HB1  ALA  15           HB1      ALA  15  -1.805  -0.108   0.944
  118    HB2  ALA  15           HB2      ALA  15  -1.364  -0.307  -0.757
  119    HB3  ALA  15           HB3      ALA  15  -2.869  -0.989  -0.149
  120    H    THR  16           H        THR  16  -3.029   2.488   1.732
  121    HA   THR  16           HA       THR  16  -5.514   1.395   2.576
  122    HB   THR  16           HB       THR  16  -4.056   3.744   3.811
  123    HG1  THR  16           HG1      THR  16  -2.679   2.010   3.989
  124   HG21  THR  16          HG21      THR  16  -5.324   3.108   5.821
  125   HG22  THR  16          HG22      THR  16  -6.077   1.791   4.911
  126   HG23  THR  16          HG23      THR  16  -6.420   3.461   4.475
  127    H    ILE  17           H        ILE  17  -4.498   4.456   1.117
  128    HA   ILE  17           HA       ILE  17  -7.198   5.377   1.269
  129    HB   ILE  17           HB       ILE  17  -5.447   7.052   1.337
  130   HG12  ILE  17          HG12      ILE  17  -6.255   8.645  -0.422
  131   HG13  ILE  17          HG13      ILE  17  -7.163   7.312  -1.127
  132   HG21  ILE  17          HG21      ILE  17  -3.744   6.070   0.006
  133   HG22  ILE  17          HG22      ILE  17  -4.105   7.687  -0.610
  134   HG23  ILE  17          HG23      ILE  17  -4.706   6.261  -1.463
  135   HD11  ILE  17          HD11      ILE  17  -8.565   8.735   0.265
  136   HD12  ILE  17          HD12      ILE  17  -7.513   8.436   1.644
  137   HD13  ILE  17          HD13      ILE  17  -8.451   7.114   0.949
  138    H    PHE  18           H        PHE  18  -5.193   4.267  -1.478
  139    HA   PHE  18           HA       PHE  18  -7.483   4.322  -3.187
  140    HB2  PHE  18           HB2      PHE  18  -4.703   3.322  -3.728
  141    HB3  PHE  18           HB3      PHE  18  -5.988   3.484  -4.924
  142    HD1  PHE  18           HD1      PHE  18  -7.182   5.905  -4.638
  143    HD2  PHE  18           HD2      PHE  18  -3.131   4.967  -3.863
  144    HE1  PHE  18           HE1      PHE  18  -6.568   8.262  -5.071
  145    HE2  PHE  18           HE2      PHE  18  -2.484   7.310  -4.279
  146    HZ   PHE  18           HZ       PHE  18  -4.208   8.959  -4.890
  147    H    GLY  19           H        GLY  19  -5.292   1.696  -2.251
  148    HA2  GLY  19           HA2      GLY  19  -6.661  -0.435  -3.382
  149    HA3  GLY  19           HA3      GLY  19  -5.608  -0.539  -1.973
  150    H    LEU  20           H        LEU  20  -6.888   0.752  -0.084
  151    HA   LEU  20           HA       LEU  20  -8.759  -1.142   0.748
  152    HB2  LEU  20           HB2      LEU  20  -7.302   0.624   2.038
  153    HB3  LEU  20           HB3      LEU  20  -8.802   1.537   1.989
  154    HG   LEU  20           HG       LEU  20  -9.863  -0.600   2.901
  155   HD11  LEU  20          HD11      LEU  20  -8.372  -2.039   4.177
  156   HD12  LEU  20          HD12      LEU  20  -7.006  -1.048   3.657
  157   HD13  LEU  20          HD13      LEU  20  -7.888  -1.998   2.467
  158   HD21  LEU  20          HD21      LEU  20  -9.660   1.455   4.177
  159   HD22  LEU  20          HD22      LEU  20  -7.995   1.042   4.603
  160   HD23  LEU  20          HD23      LEU  20  -9.333   0.055   5.198
  161    H    ALA  21           H        ALA  21  -9.160   1.969  -0.882
  162    HA   ALA  21           HA       ALA  21 -11.901   2.300  -0.433
  163    HB1  ALA  21           HB1      ALA  21 -10.305   3.076  -2.877
  164    HB2  ALA  21           HB2      ALA  21 -10.447   4.029  -1.410
  165    HB3  ALA  21           HB3      ALA  21 -11.876   3.730  -2.409
  166    H    ALA  22           H        ALA  22 -10.168   0.173  -2.549
  167    HA   ALA  22           HA       ALA  22 -12.423  -0.502  -4.187
  168    HB1  ALA  22           HB1      ALA  22  -9.838  -1.983  -3.763
  169    HB2  ALA  22           HB2      ALA  22 -10.124  -0.754  -5.002
  170    HB3  ALA  22           HB3      ALA  22 -11.013  -2.286  -5.044
  171    H    TRP  23           H        TRP  23 -11.077  -1.626  -1.235
  172    HA   TRP  23           HA       TRP  23 -12.783  -3.958  -1.298
  173    HB2  TRP  23           HB2      TRP  23 -10.312  -3.393  -0.141
  174    HB3  TRP  23           HB3      TRP  23 -11.418  -3.677   1.200
  175    HD1  TRP  23           HD1      TRP  23 -11.222  -6.118   1.868
  176    HE1  TRP  23           HE1      TRP  23 -11.057  -8.378   0.647
  177    HE3  TRP  23           HE3      TRP  23 -11.160  -4.400  -2.921
  178    HZ2  TRP  23           HZ2      TRP  23 -10.951  -9.297  -2.066
  179    HZ3  TRP  23           HZ3      TRP  23 -11.067  -5.978  -4.758
  180    HH2  TRP  23           HH2      TRP  23 -10.962  -8.394  -4.352
  181    H    ALA  24           H        ALA  24 -12.391  -1.081   0.667
  182    HA   ALA  24           HA       ALA  24 -14.593  -1.754   2.308
  183    HB1  ALA  24           HB1      ALA  24 -14.249   0.460   3.305
  184    HB2  ALA  24           HB2      ALA  24 -13.126   0.845   1.998
  185    HB3  ALA  24           HB3      ALA  24 -12.737  -0.438   3.141
  186    H    LEU  25           H        LEU  25 -14.072   0.758  -0.153
  187    HA   LEU  25           HA       LEU  25 -16.809   1.607  -0.019
  188    HB2  LEU  25           HB2      LEU  25 -14.591   2.485  -1.817
  189    HB3  LEU  25           HB3      LEU  25 -16.178   3.244  -1.710
  190    HG   LEU  25           HG       LEU  25 -14.044   3.113   0.407
  191   HD11  LEU  25          HD11      LEU  25 -15.172   5.438  -1.141
  192   HD12  LEU  25          HD12      LEU  25 -13.578   4.722  -1.352
  193   HD13  LEU  25          HD13      LEU  25 -13.987   5.543   0.157
  194   HD21  LEU  25          HD21      LEU  25 -16.227   2.949   1.451
  195   HD22  LEU  25          HD22      LEU  25 -16.782   4.356   0.546
  196   HD23  LEU  25          HD23      LEU  25 -15.507   4.528   1.759
  197    H    LEU  26           H        LEU  26 -14.978  -0.418  -2.197
  198    HA   LEU  26           HA       LEU  26 -17.060  -0.206  -4.226
  199    HB2  LEU  26           HB2      LEU  26 -14.782   0.204  -4.934
  200    HB3  LEU  26           HB3      LEU  26 -14.291  -1.328  -4.255
  201    HG   LEU  26           HG       LEU  26 -15.637  -2.473  -5.944
  202   HD11  LEU  26          HD11      LEU  26 -17.235  -0.728  -6.489
  203   HD12  LEU  26          HD12      LEU  26 -16.361  -1.218  -7.948
  204   HD13  LEU  26          HD13      LEU  26 -15.938   0.280  -7.130
  205   HD21  LEU  26          HD21      LEU  26 -13.261  -2.238  -6.251
  206   HD22  LEU  26          HD22      LEU  26 -13.465  -0.621  -6.922
  207   HD23  LEU  26          HD23      LEU  26 -14.044  -2.020  -7.816
  208    H    ALA  27           H        ALA  27 -15.985  -2.279  -1.849
  209    HA   ALA  27           HA       ALA  27 -17.399  -4.519  -3.116
  210    HB1  ALA  27           HB1      ALA  27 -14.979  -4.906  -2.807
  211    HB2  ALA  27           HB2      ALA  27 -15.987  -6.061  -1.950
  212    HB3  ALA  27           HB3      ALA  27 -15.207  -4.749  -1.063
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1 -15.639  -8.371   0.226
    2    H2   ARG   1           HT2      ARG   1 -16.314  -8.568   1.727
    3    H3   ARG   1           HT3      ARG   1 -15.493  -9.861   1.017
    4    HA   ARG   1           HA       ARG   1 -14.198  -8.788   2.761
    5    HB2  ARG   1           HB2      ARG   1 -13.107  -8.186  -0.012
    6    HB3  ARG   1           HB3      ARG   1 -12.155  -8.266   1.456
    7    HG2  ARG   1           HG2      ARG   1 -12.883 -10.682   1.642
    8    HG3  ARG   1           HG3      ARG   1 -13.545 -10.490   0.018
    9    HD2  ARG   1           HD2      ARG   1 -11.359  -9.919  -0.848
   10    HD3  ARG   1           HD3      ARG   1 -10.673  -9.993   0.774
   11    HE   ARG   1           HE       ARG   1 -11.829 -12.286  -0.639
   12   HH11  ARG   1          HH11      ARG   1  -9.213 -10.901   1.368
   13   HH12  ARG   1          HH12      ARG   1  -8.497 -12.381   1.717
   14   HH21  ARG   1          HH21      ARG   1 -10.750 -14.366  -0.176
   15   HH22  ARG   1          HH22      ARG   1  -9.363 -14.356   0.823
   16    H    ASN   2           H        ASN   2 -12.609  -6.742   2.794
   17    HA   ASN   2           HA       ASN   2 -14.333  -4.435   2.735
   18    HB2  ASN   2           HB2      ASN   2 -11.403  -4.737   3.484
   19    HB3  ASN   2           HB3      ASN   2 -12.297  -3.237   3.598
   20   HD21  ASN   2          HD21      ASN   2 -11.721  -6.345   4.978
   21   HD22  ASN   2          HD22      ASN   2 -12.545  -6.044   6.470
   22    H    LYS   3           H        LYS   3 -14.618  -3.495   0.770
   23    HA   LYS   3           HA       LYS   3 -12.223  -2.877  -0.756
   24    HB2  LYS   3           HB2      LYS   3 -13.304  -4.922  -1.701
   25    HB3  LYS   3           HB3      LYS   3 -14.746  -3.944  -1.980
   26    HG2  LYS   3           HG2      LYS   3 -13.162  -2.382  -3.272
   27    HG3  LYS   3           HG3      LYS   3 -12.057  -3.757  -3.280
   28    HD2  LYS   3           HD2      LYS   3 -13.330  -3.754  -5.316
   29    HD3  LYS   3           HD3      LYS   3 -13.865  -5.112  -4.321
   30    HE2  LYS   3           HE2      LYS   3 -15.792  -3.872  -3.562
   31    HE3  LYS   3           HE3      LYS   3 -15.224  -2.421  -4.356
   32    HZ1  LYS   3           HZ1      LYS   3 -16.979  -3.530  -5.555
   33    HZ2  LYS   3           HZ2      LYS   3 -16.060  -4.916  -5.764
   34    HZ3  LYS   3           HZ3      LYS   3 -15.593  -3.457  -6.474
   35    H    LEU   4           H        LEU   4 -12.351  -0.883  -1.695
   36    HA   LEU   4           HA       LEU   4 -14.636   0.656  -2.211
   37    HB2  LEU   4           HB2      LEU   4 -14.722   0.501   0.290
   38    HB3  LEU   4           HB3      LEU   4 -13.151   1.264   0.379
   39    HG   LEU   4           HG       LEU   4 -14.178   3.278  -0.729
   40   HD11  LEU   4          HD11      LEU   4 -16.762   1.811  -0.161
   41   HD12  LEU   4          HD12      LEU   4 -16.115   2.197  -1.752
   42   HD13  LEU   4          HD13      LEU   4 -16.614   3.490  -0.667
   43   HD21  LEU   4          HD21      LEU   4 -13.791   3.146   1.671
   44   HD22  LEU   4          HD22      LEU   4 -15.396   2.434   1.891
   45   HD23  LEU   4          HD23      LEU   4 -15.232   4.089   1.292
   46    H    ALA   5           H        ALA   5 -13.849   2.863  -2.735
   47    HA   ALA   5           HA       ALA   5 -11.430   2.808  -4.117
   48    HB1  ALA   5           HB1      ALA   5 -11.794   5.159  -4.553
   49    HB2  ALA   5           HB2      ALA   5 -12.855   5.260  -3.153
   50    HB3  ALA   5           HB3      ALA   5 -13.362   4.326  -4.559
   51    H    TYR   6           H        TYR   6 -12.240   3.902  -0.960
   52    HA   TYR   6           HA       TYR   6  -9.591   4.855  -0.431
   53    HB2  TYR   6           HB2      TYR   6 -11.988   4.532   1.327
   54    HB3  TYR   6           HB3      TYR   6 -10.413   4.987   1.988
   55    HD1  TYR   6           HD1      TYR   6  -9.401   7.095   1.411
   56    HD2  TYR   6           HD2      TYR   6 -13.258   6.073  -0.018
   57    HE1  TYR   6           HE1      TYR   6  -9.764   9.419   0.801
   58    HE2  TYR   6           HE2      TYR   6 -13.655   8.418  -0.646
   59    HH   TYR   6           HH       TYR   6 -12.871  10.569  -0.138
   60    H    ASN   7           H        ASN   7 -11.070   1.881  -0.373
   61    HA   ASN   7           HA       ASN   7  -9.256   0.745   1.537
   62    HB2  ASN   7           HB2      ASN   7 -11.459  -0.326   1.187
   63    HB3  ASN   7           HB3      ASN   7 -11.003  -0.708  -0.466
   64   HD21  ASN   7          HD21      ASN   7 -10.615  -1.525   2.847
   65   HD22  ASN   7          HD22      ASN   7  -9.655  -2.932   2.627
   66    H    MET   8           H        MET   8  -9.741   0.386  -1.931
   67    HA   MET   8           HA       MET   8  -7.189  -0.862  -2.171
   68    HB2  MET   8           HB2      MET   8  -9.226  -0.119  -4.248
   69    HB3  MET   8           HB3      MET   8  -7.687  -0.857  -4.655
   70    HG2  MET   8           HG2      MET   8  -9.602  -2.146  -2.733
   71    HG3  MET   8           HG3      MET   8  -9.769  -2.340  -4.468
   72    HE1  MET   8           HE1      MET   8  -7.565  -3.067  -1.281
   73    HE2  MET   8           HE2      MET   8  -6.192  -2.475  -2.248
   74    HE3  MET   8           HE3      MET   8  -6.355  -4.174  -1.892
   75    H    GLY   9           H        GLY   9  -8.459   2.126  -3.667
   76    HA2  GLY   9           HA2      GLY   9  -5.997   2.880  -4.763
   77    HA3  GLY   9           HA3      GLY   9  -7.360   3.945  -4.470
   78    H    HIS  10           H        HIS  10  -7.489   3.897  -1.738
   79    HA   HIS  10           HA       HIS  10  -5.424   5.781  -1.043
   80    HB2  HIS  10           HB2      HIS  10  -7.717   5.866  -0.141
   81    HB3  HIS  10           HB3      HIS  10  -7.405   4.369   0.729
   82    HD1  HIS  10           HD1      HIS  10  -5.316   7.548   0.498
   83    HD2  HIS  10           HD2      HIS  10  -7.165   5.102   3.287
   84    HE1  HIS  10           HE1      HIS  10  -4.626   8.412   2.656
   85    H    TYR  11           H        TYR  11  -5.919   2.364  -0.142
   86    HA   TYR  11           HA       TYR  11  -3.531   2.394   1.401
   87    HB2  TYR  11           HB2      TYR  11  -5.366   0.228   0.555
   88    HB3  TYR  11           HB3      TYR  11  -3.772  -0.186   1.173
   89    HD1  TYR  11           HD1      TYR  11  -3.116   0.579   3.412
   90    HD2  TYR  11           HD2      TYR  11  -7.122   0.887   2.044
   91    HE1  TYR  11           HE1      TYR  11  -3.822   0.800   5.681
   92    HE2  TYR  11           HE2      TYR  11  -7.895   1.119   4.366
   93    HH   TYR  11           HH       TYR  11  -5.773   1.747   6.913
   94    H    ALA  12           H        ALA  12  -4.238   1.522  -1.923
   95    HA   ALA  12           HA       ALA  12  -1.795   0.320  -2.500
   96    HB1  ALA  12           HB1      ALA  12  -3.477   2.046  -4.326
   97    HB2  ALA  12           HB2      ALA  12  -3.692   0.314  -4.057
   98    HB3  ALA  12           HB3      ALA  12  -2.226   0.907  -4.837
   99    H    GLY  13           H        GLY  13  -2.765   3.705  -2.488
  100    HA2  GLY  13           HA2      GLY  13  -0.315   4.782  -3.387
  101    HA3  GLY  13           HA3      GLY  13  -1.506   5.629  -2.405
  102    H    LYS  14           H        LYS  14  -1.512   4.141  -0.120
  103    HA   LYS  14           HA       LYS  14   0.813   5.182   1.151
  104    HB2  LYS  14           HB2      LYS  14  -1.643   3.828   2.074
  105    HB3  LYS  14           HB3      LYS  14  -0.239   3.684   3.126
  106    HG2  LYS  14           HG2      LYS  14  -1.684   5.568   3.731
  107    HG3  LYS  14           HG3      LYS  14  -0.056   6.069   3.299
  108    HD2  LYS  14           HD2      LYS  14  -0.939   6.577   0.986
  109    HD3  LYS  14           HD3      LYS  14  -2.557   6.294   1.630
  110    HE2  LYS  14           HE2      LYS  14  -2.280   8.060   3.239
  111    HE3  LYS  14           HE3      LYS  14  -0.616   8.309   2.729
  112    HZ1  LYS  14           HZ1      LYS  14  -1.420   8.994   0.557
  113    HZ2  LYS  14           HZ2      LYS  14  -2.073   9.938   1.767
  114    HZ3  LYS  14           HZ3      LYS  14  -3.019   8.762   1.038
  115    H    ALA  15           H        ALA  15  -0.137   1.943   0.248
  116    HA   ALA  15           HA       ALA  15   2.089   0.792   1.555
  117    HB1  ALA  15           HB1      ALA  15   1.506  -1.244   0.401
  118    HB2  ALA  15           HB2      ALA  15   0.351  -0.367  -0.615
  119    HB3  ALA  15           HB3      ALA  15   0.073  -0.508   1.129
  120    H    THR  16           H        THR  16   1.536   2.062  -1.634
  121    HA   THR  16           HA       THR  16   3.989   1.017  -2.598
  122    HB   THR  16           HB       THR  16   2.337   3.247  -3.835
  123    HG1  THR  16           HG1      THR  16   1.119   1.414  -3.767
  124   HG21  THR  16          HG21      THR  16   4.408   1.386  -4.979
  125   HG22  THR  16          HG22      THR  16   4.662   3.108  -4.669
  126   HG23  THR  16          HG23      THR  16   3.510   2.588  -5.907
  127    H    ILE  17           H        ILE  17   3.020   4.126  -1.192
  128    HA   ILE  17           HA       ILE  17   5.644   5.128  -1.685
  129    HB   ILE  17           HB       ILE  17   3.735   6.711  -1.600
  130   HG12  ILE  17          HG12      ILE  17   4.787   8.466  -0.183
  131   HG13  ILE  17          HG13      ILE  17   5.913   7.251   0.428
  132   HG21  ILE  17          HG21      ILE  17   2.775   7.457   0.536
  133   HG22  ILE  17          HG22      ILE  17   3.607   6.133   1.340
  134   HG23  ILE  17          HG23      ILE  17   2.386   5.793   0.111
  135   HD11  ILE  17          HD11      ILE  17   6.918   8.570  -1.339
  136   HD12  ILE  17          HD12      ILE  17   5.599   8.154  -2.421
  137   HD13  ILE  17          HD13      ILE  17   6.709   6.898  -1.860
  138    H    PHE  18           H        PHE  18   4.020   4.108   1.316
  139    HA   PHE  18           HA       PHE  18   6.499   4.291   2.734
  140    HB2  PHE  18           HB2      PHE  18   3.811   3.286   3.620
  141    HB3  PHE  18           HB3      PHE  18   5.232   3.418   4.655
  142    HD1  PHE  18           HD1      PHE  18   6.428   5.769   4.318
  143    HD2  PHE  18           HD2      PHE  18   2.311   4.976   3.825
  144    HE1  PHE  18           HE1      PHE  18   5.929   8.146   4.833
  145    HE2  PHE  18           HE2      PHE  18   1.771   7.340   4.321
  146    HZ   PHE  18           HZ       PHE  18   3.596   8.924   4.832
  147    H    GLY  19           H        GLY  19   4.334   1.586   2.083
  148    HA2  GLY  19           HA2      GLY  19   5.920  -0.427   3.206
  149    HA3  GLY  19           HA3      GLY  19   4.696  -0.664   1.964
  150    H    LEU  20           H        LEU  20   5.574   0.406  -0.185
  151    HA   LEU  20           HA       LEU  20   7.520  -1.364  -1.106
  152    HB2  LEU  20           HB2      LEU  20   5.758   0.242  -2.324
  153    HB3  LEU  20           HB3      LEU  20   7.235   1.148  -2.611
  154    HG   LEU  20           HG       LEU  20   8.174  -1.093  -3.424
  155   HD11  LEU  20          HD11      LEU  20   6.531  -2.617  -4.358
  156   HD12  LEU  20          HD12      LEU  20   5.249  -1.563  -3.769
  157   HD13  LEU  20          HD13      LEU  20   6.277  -2.420  -2.609
  158   HD21  LEU  20          HD21      LEU  20   7.817   0.827  -4.848
  159   HD22  LEU  20          HD22      LEU  20   6.106   0.398  -5.018
  160   HD23  LEU  20          HD23      LEU  20   7.363  -0.658  -5.682
  161    H    ALA  21           H        ALA  21   7.918   1.885   0.292
  162    HA   ALA  21           HA       ALA  21  10.497   2.416  -0.647
  163    HB1  ALA  21           HB1      ALA  21   9.105   4.097   0.446
  164    HB2  ALA  21           HB2      ALA  21  10.665   3.949   1.254
  165    HB3  ALA  21           HB3      ALA  21   9.223   3.226   1.969
  166    H    ALA  22           H        ALA  22   9.342   0.324   1.886
  167    HA   ALA  22           HA       ALA  22  11.865  -0.048   3.137
  168    HB1  ALA  22           HB1      ALA  22   9.753  -0.520   4.300
  169    HB2  ALA  22           HB2      ALA  22  10.820  -1.921   4.272
  170    HB3  ALA  22           HB3      ALA  22   9.438  -1.839   3.172
  171    H    TRP  23           H        TRP  23  10.281  -1.483   0.417
  172    HA   TRP  23           HA       TRP  23  12.310  -3.567   0.336
  173    HB2  TRP  23           HB2      TRP  23   9.662  -3.626  -0.403
  174    HB3  TRP  23           HB3      TRP  23  10.523  -3.374  -1.918
  175    HD1  TRP  23           HD1      TRP  23  10.749  -5.621  -3.078
  176    HE1  TRP  23           HE1      TRP  23  11.575  -7.940  -2.413
  177    HE3  TRP  23           HE3      TRP  23  11.473  -4.769   1.898
  178    HZ2  TRP  23           HZ2      TRP  23  12.467  -9.249  -0.042
  179    HZ3  TRP  23           HZ3      TRP  23  12.335  -6.555   3.299
  180    HH2  TRP  23           HH2      TRP  23  12.825  -8.796   2.338
  181    H    ALA  24           H        ALA  24  11.303  -0.795  -1.519
  182    HA   ALA  24           HA       ALA  24  13.316  -1.156  -3.513
  183    HB1  ALA  24           HB1      ALA  24  12.567   1.019  -4.346
  184    HB2  ALA  24           HB2      ALA  24  11.600   1.240  -2.887
  185    HB3  ALA  24           HB3      ALA  24  11.204  -0.046  -4.019
  186    H    LEU  25           H        LEU  25  12.864   1.301  -0.999
  187    HA   LEU  25           HA       LEU  25  15.460   2.411  -1.502
  188    HB2  LEU  25           HB2      LEU  25  13.305   3.152   0.438
  189    HB3  LEU  25           HB3      LEU  25  14.804   4.040   0.218
  190    HG   LEU  25           HG       LEU  25  12.636   3.630  -1.857
  191   HD11  LEU  25          HD11      LEU  25  13.412   6.079  -0.287
  192   HD12  LEU  25          HD12      LEU  25  11.922   5.161  -0.099
  193   HD13  LEU  25          HD13      LEU  25  12.238   6.041  -1.594
  194   HD21  LEU  25          HD21      LEU  25  15.179   5.253  -1.989
  195   HD22  LEU  25          HD22      LEU  25  13.890   5.271  -3.186
  196   HD23  LEU  25          HD23      LEU  25  14.815   3.797  -2.916
  197    H    LEU  26           H        LEU  26  14.124   0.276   0.894
  198    HA   LEU  26           HA       LEU  26  16.321   0.810   2.729
  199    HB2  LEU  26           HB2      LEU  26  14.142   0.698   3.721
  200    HB3  LEU  26           HB3      LEU  26  13.844  -0.860   2.982
  201    HG   LEU  26           HG       LEU  26  15.760  -1.710   4.359
  202   HD11  LEU  26          HD11      LEU  26  16.199  -0.501   6.464
  203   HD12  LEU  26          HD12      LEU  26  15.326   0.886   5.798
  204   HD13  LEU  26          HD13      LEU  26  16.801   0.313   5.022
  205   HD21  LEU  26          HD21      LEU  26  13.209  -0.832   5.706
  206   HD22  LEU  26          HD22      LEU  26  14.334  -2.019   6.362
  207   HD23  LEU  26          HD23      LEU  26  13.495  -2.351   4.850
  208    H    ALA  27           H        ALA  27  15.347  -1.473   0.502
  209    HA   ALA  27           HA       ALA  27  17.140  -3.500   1.644
  210    HB1  ALA  27           HB1      ALA  27  14.972  -3.884  -0.434
  211    HB2  ALA  27           HB2      ALA  27  14.801  -4.184   1.281
  212    HB3  ALA  27           HB3      ALA  27  15.919  -5.156   0.333
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1 -10.122  -9.411   2.534
    2    H2   ARG   1           HT2      ARG   1 -11.246  -8.393   3.224
    3    H3   ARG   1           HT3      ARG   1 -10.280  -7.868   1.918
    4    HA   ARG   1           HA       ARG   1 -11.244  -9.310   0.432
    5    HB2  ARG   1           HB2      ARG   1 -12.937 -10.288   2.727
    6    HB3  ARG   1           HB3      ARG   1 -13.178 -10.716   1.040
    7    HG2  ARG   1           HG2      ARG   1 -10.861 -11.643   1.023
    8    HG3  ARG   1           HG3      ARG   1 -10.812 -11.371   2.767
    9    HD2  ARG   1           HD2      ARG   1 -11.400 -13.653   2.270
   10    HD3  ARG   1           HD3      ARG   1 -12.753 -12.817   3.042
   11    HE   ARG   1           HE       ARG   1 -13.411 -12.482   0.531
   12   HH11  ARG   1          HH11      ARG   1 -12.235 -15.479   2.057
   13   HH12  ARG   1          HH12      ARG   1 -12.977 -16.454   0.880
   14   HH21  ARG   1          HH21      ARG   1 -14.388 -13.863  -1.005
   15   HH22  ARG   1          HH22      ARG   1 -14.220 -15.549  -0.862
   16    H    ASN   2           H        ASN   2 -12.026  -6.809   2.370
   17    HA   ASN   2           HA       ASN   2 -14.512  -6.246   0.989
   18    HB2  ASN   2           HB2      ASN   2 -14.743  -4.343   2.575
   19    HB3  ASN   2           HB3      ASN   2 -14.561  -5.861   3.433
   20   HD21  ASN   2          HD21      ASN   2 -14.097  -3.120   4.303
   21   HD22  ASN   2          HD22      ASN   2 -12.458  -3.035   4.809
   22    H    LYS   3           H        LYS   3 -14.711  -4.076  -0.073
   23    HA   LYS   3           HA       LYS   3 -12.094  -3.120  -1.031
   24    HB2  LYS   3           HB2      LYS   3 -13.098  -4.832  -2.532
   25    HB3  LYS   3           HB3      LYS   3 -14.468  -3.751  -2.739
   26    HG2  LYS   3           HG2      LYS   3 -12.647  -2.030  -3.487
   27    HG3  LYS   3           HG3      LYS   3 -11.645  -3.468  -3.697
   28    HD2  LYS   3           HD2      LYS   3 -12.664  -2.965  -5.802
   29    HD3  LYS   3           HD3      LYS   3 -13.447  -4.410  -5.151
   30    HE2  LYS   3           HE2      LYS   3 -15.272  -2.992  -4.270
   31    HE3  LYS   3           HE3      LYS   3 -14.488  -1.590  -4.963
   32    HZ1  LYS   3           HZ1      LYS   3 -15.545  -3.907  -6.474
   33    HZ2  LYS   3           HZ2      LYS   3 -14.806  -2.562  -7.163
   34    HZ3  LYS   3           HZ3      LYS   3 -16.276  -2.400  -6.353
   35    H    LEU   4           H        LEU   4 -12.046  -0.967  -1.590
   36    HA   LEU   4           HA       LEU   4 -14.190   0.719  -2.170
   37    HB2  LEU   4           HB2      LEU   4 -14.561   0.409   0.308
   38    HB3  LEU   4           HB3      LEU   4 -12.980   1.103   0.599
   39    HG   LEU   4           HG       LEU   4 -13.777   3.237  -0.443
   40   HD11  LEU   4          HD11      LEU   4 -16.448   1.852  -0.450
   41   HD12  LEU   4          HD12      LEU   4 -15.531   2.359  -1.873
   42   HD13  LEU   4          HD13      LEU   4 -16.187   3.566  -0.769
   43   HD21  LEU   4          HD21      LEU   4 -13.832   2.962   1.972
   44   HD22  LEU   4          HD22      LEU   4 -15.423   2.215   1.852
   45   HD23  LEU   4          HD23      LEU   4 -15.213   3.916   1.425
   46    H    ALA   5           H        ALA   5 -13.296   3.044  -2.245
   47    HA   ALA   5           HA       ALA   5 -11.015   2.888  -3.838
   48    HB1  ALA   5           HB1      ALA   5 -12.810   4.577  -4.019
   49    HB2  ALA   5           HB2      ALA   5 -11.180   5.247  -4.084
   50    HB3  ALA   5           HB3      ALA   5 -12.132   5.383  -2.604
   51    H    TYR   6           H        TYR   6 -11.378   3.932  -0.559
   52    HA   TYR   6           HA       TYR   6  -8.582   4.584  -0.364
   53    HB2  TYR   6           HB2      TYR   6 -10.688   4.377   1.764
   54    HB3  TYR   6           HB3      TYR   6  -9.017   4.765   2.121
   55    HD1  TYR   6           HD1      TYR   6  -8.052   6.876   1.356
   56    HD2  TYR   6           HD2      TYR   6 -12.171   5.994   0.823
   57    HE1  TYR   6           HE1      TYR   6  -8.492   9.240   0.993
   58    HE2  TYR   6           HE2      TYR   6 -12.641   8.372   0.446
   59    HH   TYR   6           HH       TYR   6 -11.583  10.526   1.109
   60    H    ASN   7           H        ASN   7 -10.475   1.797   0.057
   61    HA   ASN   7           HA       ASN   7  -8.628   0.441   1.780
   62    HB2  ASN   7           HB2      ASN   7 -11.068  -0.112   1.615
   63    HB3  ASN   7           HB3      ASN   7 -10.772  -0.731   0.000
   64   HD21  ASN   7          HD21      ASN   7 -11.792  -2.006   2.378
   65   HD22  ASN   7          HD22      ASN   7 -10.804  -3.380   2.651
   66    H    MET   8           H        MET   8  -9.568  -0.019  -1.578
   67    HA   MET   8           HA       MET   8  -7.277  -1.670  -2.023
   68    HB2  MET   8           HB2      MET   8  -9.453  -2.132  -3.089
   69    HB3  MET   8           HB3      MET   8  -9.295  -0.653  -4.011
   70    HG2  MET   8           HG2      MET   8  -8.677  -2.286  -5.526
   71    HG3  MET   8           HG3      MET   8  -7.133  -1.694  -4.933
   72    HE1  MET   8           HE1      MET   8  -5.803  -4.726  -2.793
   73    HE2  MET   8           HE2      MET   8  -6.756  -3.483  -2.034
   74    HE3  MET   8           HE3      MET   8  -5.551  -3.041  -3.269
   75    H    GLY   9           H        GLY   9  -8.288   1.522  -3.177
   76    HA2  GLY   9           HA2      GLY   9  -6.021   1.823  -4.879
   77    HA3  GLY   9           HA3      GLY   9  -7.213   3.044  -4.492
   78    H    HIS  10           H        HIS  10  -6.896   3.249  -1.780
   79    HA   HIS  10           HA       HIS  10  -4.553   4.926  -1.632
   80    HB2  HIS  10           HB2      HIS  10  -6.698   5.325  -0.417
   81    HB3  HIS  10           HB3      HIS  10  -6.296   3.989   0.661
   82    HD1  HIS  10           HD1      HIS  10  -4.436   7.043  -0.612
   83    HD2  HIS  10           HD2      HIS  10  -5.321   5.055   2.913
   84    HE1  HIS  10           HE1      HIS  10  -3.364   8.359   1.156
   85    H    TYR  11           H        TYR  11  -5.276   1.682  -0.474
   86    HA   TYR  11           HA       TYR  11  -2.730   1.455   0.719
   87    HB2  TYR  11           HB2      TYR  11  -4.915  -0.453   0.175
   88    HB3  TYR  11           HB3      TYR  11  -3.309  -1.101   0.506
   89    HD1  TYR  11           HD1      TYR  11  -6.229   0.528   1.933
   90    HD2  TYR  11           HD2      TYR  11  -2.205  -0.598   2.593
   91    HE1  TYR  11           HE1      TYR  11  -6.529   0.878   4.359
   92    HE2  TYR  11           HE2      TYR  11  -2.449  -0.276   4.956
   93    HH   TYR  11           HH       TYR  11  -5.547   0.208   6.429
   94    H    ALA  12           H        ALA  12  -3.923   0.867  -2.477
   95    HA   ALA  12           HA       ALA  12  -1.718  -0.581  -3.438
   96    HB1  ALA  12           HB1      ALA  12  -3.779  -0.311  -4.759
   97    HB2  ALA  12           HB2      ALA  12  -2.364   0.210  -5.679
   98    HB3  ALA  12           HB3      ALA  12  -3.430   1.409  -4.948
   99    H    GLY  13           H        GLY  13  -2.353   2.873  -3.283
  100    HA2  GLY  13           HA2      GLY  13   0.127   3.734  -4.345
  101    HA3  GLY  13           HA3      GLY  13  -0.919   4.692  -3.298
  102    H    LYS  14           H        LYS  14  -0.959   3.201  -1.051
  103    HA   LYS  14           HA       LYS  14   1.278   3.989   0.409
  104    HB2  LYS  14           HB2      LYS  14  -1.166   2.617   0.834
  105    HB3  LYS  14           HB3      LYS  14   0.098   1.706   1.628
  106    HG2  LYS  14           HG2      LYS  14  -1.027   3.323   3.109
  107    HG3  LYS  14           HG3      LYS  14   0.702   3.621   2.958
  108    HD2  LYS  14           HD2      LYS  14   0.350   5.481   1.520
  109    HD3  LYS  14           HD3      LYS  14  -1.352   5.056   1.291
  110    HE2  LYS  14           HE2      LYS  14  -1.888   5.641   3.472
  111    HE3  LYS  14           HE3      LYS  14  -0.189   5.766   3.971
  112    HZ1  LYS  14           HZ1      LYS  14   0.010   7.696   2.577
  113    HZ2  LYS  14           HZ2      LYS  14  -1.284   7.932   3.618
  114    HZ3  LYS  14           HZ3      LYS  14  -1.559   7.514   2.009
  115    H    ALA  15           H        ALA  15   0.420   0.791  -0.771
  116    HA   ALA  15           HA       ALA  15   2.786  -0.431   0.197
  117    HB1  ALA  15           HB1      ALA  15   0.844  -1.484  -1.850
  118    HB2  ALA  15           HB2      ALA  15   0.688  -1.666  -0.098
  119    HB3  ALA  15           HB3      ALA  15   2.044  -2.419  -0.951
  120    H    THR  16           H        THR  16   1.983   1.146  -2.788
  121    HA   THR  16           HA       THR  16   4.230   0.057  -4.154
  122    HB   THR  16           HB       THR  16   2.577   2.496  -4.853
  123    HG1  THR  16           HG1      THR  16   1.278   0.712  -4.940
  124   HG21  THR  16          HG21      THR  16   4.426   0.811  -6.550
  125   HG22  THR  16          HG22      THR  16   4.783   2.432  -5.962
  126   HG23  THR  16          HG23      THR  16   3.474   2.185  -7.114
  127    H    ILE  17           H        ILE  17   3.621   3.053  -2.350
  128    HA   ILE  17           HA       ILE  17   6.275   3.866  -2.980
  129    HB   ILE  17           HB       ILE  17   4.677   5.650  -2.689
  130   HG12  ILE  17          HG12      ILE  17   5.880   7.101  -1.076
  131   HG13  ILE  17          HG13      ILE  17   6.745   5.689  -0.483
  132   HG21  ILE  17          HG21      ILE  17   4.369   4.761   0.167
  133   HG22  ILE  17          HG22      ILE  17   3.145   4.705  -1.109
  134   HG23  ILE  17          HG23      ILE  17   3.729   6.261  -0.505
  135   HD11  ILE  17          HD11      ILE  17   8.084   7.015  -2.041
  136   HD12  ILE  17          HD12      ILE  17   6.864   6.762  -3.297
  137   HD13  ILE  17          HD13      ILE  17   7.779   5.397  -2.667
  138    H    PHE  18           H        PHE  18   4.764   2.721   0.034
  139    HA   PHE  18           HA       PHE  18   7.338   2.652   1.291
  140    HB2  PHE  18           HB2      PHE  18   4.693   1.686   2.339
  141    HB3  PHE  18           HB3      PHE  18   6.186   1.801   3.268
  142    HD1  PHE  18           HD1      PHE  18   7.345   4.235   2.829
  143    HD2  PHE  18           HD2      PHE  18   3.199   3.347   2.796
  144    HE1  PHE  18           HE1      PHE  18   6.854   6.575   3.382
  145    HE2  PHE  18           HE2      PHE  18   2.687   5.689   3.337
  146    HZ   PHE  18           HZ       PHE  18   4.522   7.309   3.630
  147    H    GLY  19           H        GLY  19   4.960   0.079   0.697
  148    HA2  GLY  19           HA2      GLY  19   6.567  -2.051   1.422
  149    HA3  GLY  19           HA3      GLY  19   5.207  -2.154   0.310
  150    H    LEU  20           H        LEU  20   6.052  -0.787  -1.827
  151    HA   LEU  20           HA       LEU  20   7.925  -2.524  -2.957
  152    HB2  LEU  20           HB2      LEU  20   6.426  -0.257  -3.913
  153    HB3  LEU  20           HB3      LEU  20   8.019  -0.375  -4.643
  154    HG   LEU  20           HG       LEU  20   7.467  -2.754  -5.087
  155   HD11  LEU  20          HD11      LEU  20   5.101  -3.379  -5.272
  156   HD12  LEU  20          HD12      LEU  20   4.645  -1.815  -4.618
  157   HD13  LEU  20          HD13      LEU  20   5.528  -2.965  -3.606
  158   HD21  LEU  20          HD21      LEU  20   5.951  -0.584  -6.505
  159   HD22  LEU  20          HD22      LEU  20   6.249  -2.199  -7.165
  160   HD23  LEU  20          HD23      LEU  20   7.600  -1.122  -6.811
  161    H    ALA  21           H        ALA  21   8.416   0.570  -1.452
  162    HA   ALA  21           HA       ALA  21  11.094   0.844  -2.307
  163    HB1  ALA  21           HB1      ALA  21   9.876   2.707  -1.254
  164    HB2  ALA  21           HB2      ALA  21  11.417   2.381  -0.460
  165    HB3  ALA  21           HB3      ALA  21   9.907   1.838   0.280
  166    H    ALA  22           H        ALA  22   9.621  -1.121   0.106
  167    HA   ALA  22           HA       ALA  22  12.055  -1.721   1.461
  168    HB1  ALA  22           HB1      ALA  22   9.881  -2.050   2.550
  169    HB2  ALA  22           HB2      ALA  22  10.844  -3.528   2.523
  170    HB3  ALA  22           HB3      ALA  22   9.507  -3.327   1.392
  171    H    TRP  23           H        TRP  23  10.373  -2.981  -1.281
  172    HA   TRP  23           HA       TRP  23  12.239  -5.178  -1.423
  173    HB2  TRP  23           HB2      TRP  23   9.576  -4.940  -2.158
  174    HB3  TRP  23           HB3      TRP  23  10.457  -5.064  -3.678
  175    HD1  TRP  23           HD1      TRP  23  10.498  -7.526  -4.404
  176    HE1  TRP  23           HE1      TRP  23  10.926  -9.787  -3.230
  177    HE3  TRP  23           HE3      TRP  23  10.973  -5.873   0.410
  178    HZ2  TRP  23           HZ2      TRP  23  11.412 -10.731  -0.612
  179    HZ3  TRP  23           HZ3      TRP  23  11.437  -7.487   2.179
  180    HH2  TRP  23           HH2      TRP  23  11.654  -9.880   1.688
  181    H    ALA  24           H        ALA  24  11.435  -2.354  -3.345
  182    HA   ALA  24           HA       ALA  24  13.434  -2.944  -5.272
  183    HB1  ALA  24           HB1      ALA  24  11.446  -1.669  -5.853
  184    HB2  ALA  24           HB2      ALA  24  12.922  -0.770  -6.219
  185    HB3  ALA  24           HB3      ALA  24  11.970  -0.356  -4.797
  186    H    LEU  25           H        LEU  25  13.160  -0.485  -2.769
  187    HA   LEU  25           HA       LEU  25  15.786   0.572  -3.242
  188    HB2  LEU  25           HB2      LEU  25  13.703   1.855  -2.617
  189    HB3  LEU  25           HB3      LEU  25  13.853   1.150  -1.059
  190    HG   LEU  25           HG       LEU  25  15.962   2.270  -0.618
  191   HD11  LEU  25          HD11      LEU  25  15.547   3.560  -3.314
  192   HD12  LEU  25          HD12      LEU  25  16.840   2.436  -2.887
  193   HD13  LEU  25          HD13      LEU  25  16.763   4.029  -2.131
  194   HD21  LEU  25          HD21      LEU  25  13.905   3.344   0.046
  195   HD22  LEU  25          HD22      LEU  25  13.745   4.086  -1.542
  196   HD23  LEU  25          HD23      LEU  25  15.064   4.565  -0.480
  197    H    LEU  26           H        LEU  26  14.251  -1.321  -0.658
  198    HA   LEU  26           HA       LEU  26  16.553  -1.087   1.063
  199    HB2  LEU  26           HB2      LEU  26  14.296  -0.819   1.946
  200    HB3  LEU  26           HB3      LEU  26  13.908  -2.436   1.382
  201    HG   LEU  26           HG       LEU  26  15.617  -3.293   2.949
  202   HD11  LEU  26          HD11      LEU  26  15.477  -0.498   4.057
  203   HD12  LEU  26          HD12      LEU  26  16.877  -1.276   3.325
  204   HD13  LEU  26          HD13      LEU  26  16.234  -1.881   4.853
  205   HD21  LEU  26          HD21      LEU  26  14.136  -3.133   4.912
  206   HD22  LEU  26          HD22      LEU  26  13.267  -3.495   3.422
  207   HD23  LEU  26          HD23      LEU  26  13.213  -1.867   4.095
  208    H    ALA  27           H        ALA  27  15.458  -3.241  -1.209
  209    HA   ALA  27           HA       ALA  27  16.744  -5.517   0.099
  210    HB1  ALA  27           HB1      ALA  27  14.515  -5.911  -0.855
  211    HB2  ALA  27           HB2      ALA  27  15.724  -6.981  -1.549
  212    HB3  ALA  27           HB3      ALA  27  15.154  -5.575  -2.462
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1 -11.397 -10.056   0.143
    2    H2   ARG   1           HT2      ARG   1 -12.008 -11.433   0.878
    3    H3   ARG   1           HT3      ARG   1 -10.824 -10.501   1.655
    4    HA   ARG   1           HA       ARG   1 -13.555  -9.596   0.990
    5    HB2  ARG   1           HB2      ARG   1 -12.259 -10.196   3.667
    6    HB3  ARG   1           HB3      ARG   1 -13.800  -9.394   3.458
    7    HG2  ARG   1           HG2      ARG   1 -14.751 -11.418   2.529
    8    HG3  ARG   1           HG3      ARG   1 -13.178 -12.229   2.630
    9    HD2  ARG   1           HD2      ARG   1 -13.176 -11.854   5.040
   10    HD3  ARG   1           HD3      ARG   1 -14.775 -11.118   4.924
   11    HE   ARG   1           HE       ARG   1 -15.306 -13.437   3.899
   12   HH11  ARG   1          HH11      ARG   1 -13.078 -12.817   6.606
   13   HH12  ARG   1          HH12      ARG   1 -13.513 -14.245   7.442
   14   HH21  ARG   1          HH21      ARG   1 -15.878 -15.395   5.130
   15   HH22  ARG   1          HH22      ARG   1 -15.143 -15.675   6.640
   16    H    ASN   2           H        ASN   2 -13.974  -7.537   2.193
   17    HA   ASN   2           HA       ASN   2 -13.582  -5.433   2.779
   18    HB2  ASN   2           HB2      ASN   2 -10.711  -6.284   3.178
   19    HB3  ASN   2           HB3      ASN   2 -11.333  -4.683   3.567
   20   HD21  ASN   2          HD21      ASN   2 -12.771  -4.462   5.269
   21   HD22  ASN   2          HD22      ASN   2 -12.951  -5.693   6.474
   22    H    LYS   3           H        LYS   3 -13.015  -6.553  -0.032
   23    HA   LYS   3           HA       LYS   3 -11.279  -4.770  -1.340
   24    HB2  LYS   3           HB2      LYS   3 -12.348  -6.807  -2.390
   25    HB3  LYS   3           HB3      LYS   3 -13.847  -5.901  -2.463
   26    HG2  LYS   3           HG2      LYS   3 -12.354  -4.137  -3.699
   27    HG3  LYS   3           HG3      LYS   3 -11.344  -5.544  -4.025
   28    HD2  LYS   3           HD2      LYS   3 -12.858  -5.248  -5.867
   29    HD3  LYS   3           HD3      LYS   3 -13.378  -6.669  -4.950
   30    HE2  LYS   3           HE2      LYS   3 -15.129  -5.366  -3.860
   31    HE3  LYS   3           HE3      LYS   3 -14.508  -3.896  -4.590
   32    HZ1  LYS   3           HZ1      LYS   3 -15.709  -6.166  -6.089
   33    HZ2  LYS   3           HZ2      LYS   3 -15.117  -4.759  -6.743
   34    HZ3  LYS   3           HZ3      LYS   3 -16.452  -4.700  -5.735
   35    H    LEU   4           H        LEU   4 -11.580  -2.708  -2.043
   36    HA   LEU   4           HA       LEU   4 -14.041  -1.299  -2.046
   37    HB2  LEU   4           HB2      LEU   4 -13.682  -1.634   0.383
   38    HB3  LEU   4           HB3      LEU   4 -12.112  -0.872   0.240
   39    HG   LEU   4           HG       LEU   4 -13.269   1.254  -0.419
   40   HD11  LEU   4          HD11      LEU   4 -15.666   1.466   0.014
   41   HD12  LEU   4          HD12      LEU   4 -15.756  -0.277   0.293
   42   HD13  LEU   4          HD13      LEU   4 -15.312   0.343  -1.295
   43   HD21  LEU   4          HD21      LEU   4 -12.545   0.851   1.869
   44   HD22  LEU   4          HD22      LEU   4 -14.085   0.070   2.226
   45   HD23  LEU   4          HD23      LEU   4 -14.037   1.790   1.826
   46    H    ALA   5           H        ALA   5 -13.628   0.817  -2.778
   47    HA   ALA   5           HA       ALA   5 -11.468   1.286  -4.410
   48    HB1  ALA   5           HB1      ALA   5 -12.131   3.622  -4.427
   49    HB2  ALA   5           HB2      ALA   5 -13.061   3.376  -2.945
   50    HB3  ALA   5           HB3      ALA   5 -13.554   2.576  -4.438
   51    H    TYR   6           H        TYR   6 -11.807   2.069  -1.057
   52    HA   TYR   6           HA       TYR   6  -9.226   3.303  -0.882
   53    HB2  TYR   6           HB2      TYR   6 -11.218   2.552   1.249
   54    HB3  TYR   6           HB3      TYR   6  -9.608   3.140   1.645
   55    HD1  TYR   6           HD1      TYR   6 -12.871   4.053   0.201
   56    HD2  TYR   6           HD2      TYR   6  -8.972   5.415   1.248
   57    HE1  TYR   6           HE1      TYR   6 -13.601   6.392  -0.079
   58    HE2  TYR   6           HE2      TYR   6  -9.687   7.730   0.966
   59    HH   TYR   6           HH       TYR   6 -12.965   8.622   0.582
   60    H    ASN   7           H        ASN   7 -10.341   0.108  -0.688
   61    HA   ASN   7           HA       ASN   7  -8.073  -0.896   0.760
   62    HB2  ASN   7           HB2      ASN   7 -10.194  -2.156   0.770
   63    HB3  ASN   7           HB3      ASN   7 -10.079  -2.361  -0.970
   64   HD21  ASN   7          HD21      ASN   7  -8.895  -3.417   2.102
   65   HD22  ASN   7          HD22      ASN   7  -7.999  -4.768   1.531
   66    H    MET   8           H        MET   8  -9.151  -1.113  -2.575
   67    HA   MET   8           HA       MET   8  -6.582  -2.067  -3.320
   68    HB2  MET   8           HB2      MET   8  -9.011  -1.444  -4.953
   69    HB3  MET   8           HB3      MET   8  -7.503  -1.942  -5.697
   70    HG2  MET   8           HG2      MET   8  -8.855  -3.603  -3.591
   71    HG3  MET   8           HG3      MET   8  -9.324  -3.714  -5.279
   72    HE1  MET   8           HE1      MET   8  -6.545  -4.333  -2.585
   73    HE2  MET   8           HE2      MET   8  -5.451  -3.491  -3.717
   74    HE3  MET   8           HE3      MET   8  -5.319  -5.210  -3.482
   75    H    GLY   9           H        GLY   9  -8.368   0.844  -4.223
   76    HA2  GLY   9           HA2      GLY   9  -6.216   1.894  -5.730
   77    HA3  GLY   9           HA3      GLY   9  -7.678   2.752  -5.271
   78    H    HIS  10           H        HIS  10  -7.439   2.683  -2.512
   79    HA   HIS  10           HA       HIS  10  -5.546   4.824  -2.236
   80    HB2  HIS  10           HB2      HIS  10  -7.734   4.788  -1.035
   81    HB3  HIS  10           HB3      HIS  10  -7.091   3.504  -0.003
   82    HD1  HIS  10           HD1      HIS  10  -5.945   6.966  -1.078
   83    HD2  HIS  10           HD2      HIS  10  -6.139   4.504   2.254
   84    HE1  HIS  10           HE1      HIS  10  -4.895   8.245   0.728
   85    H    TYR  11           H        TYR  11  -5.563   1.458  -1.053
   86    HA   TYR  11           HA       TYR  11  -3.125   1.678   0.347
   87    HB2  TYR  11           HB2      TYR  11  -4.545  -0.633  -0.863
   88    HB3  TYR  11           HB3      TYR  11  -2.902  -0.822  -0.292
   89    HD1  TYR  11           HD1      TYR  11  -2.436  -1.187   1.950
   90    HD2  TYR  11           HD2      TYR  11  -6.292   0.130   0.808
   91    HE1  TYR  11           HE1      TYR  11  -3.216  -1.638   4.201
   92    HE2  TYR  11           HE2      TYR  11  -7.135  -0.313   3.090
   93    HH   TYR  11           HH       TYR  11  -5.020  -1.050   5.713
   94    H    ALA  12           H        ALA  12  -3.833   1.184  -3.038
   95    HA   ALA  12           HA       ALA  12  -1.343   0.352  -3.908
   96    HB1  ALA  12           HB1      ALA  12  -1.943   1.233  -6.093
   97    HB2  ALA  12           HB2      ALA  12  -3.198   2.228  -5.364
   98    HB3  ALA  12           HB3      ALA  12  -3.347   0.468  -5.347
   99    H    GLY  13           H        GLY  13  -2.485   3.571  -3.146
  100    HA2  GLY  13           HA2      GLY  13  -0.124   4.930  -4.010
  101    HA3  GLY  13           HA3      GLY  13  -1.346   5.579  -2.920
  102    H    LYS  14           H        LYS  14  -1.255   3.808  -0.860
  103    HA   LYS  14           HA       LYS  14   1.042   4.778   0.500
  104    HB2  LYS  14           HB2      LYS  14  -1.294   3.130   1.344
  105    HB3  LYS  14           HB3      LYS  14   0.152   3.088   2.351
  106    HG2  LYS  14           HG2      LYS  14  -1.424   4.735   3.171
  107    HG3  LYS  14           HG3      LYS  14   0.053   5.507   2.614
  108    HD2  LYS  14           HD2      LYS  14  -1.114   5.991   0.440
  109    HD3  LYS  14           HD3      LYS  14  -2.597   5.393   1.185
  110    HE2  LYS  14           HE2      LYS  14  -0.951   7.683   2.254
  111    HE3  LYS  14           HE3      LYS  14  -2.397   7.855   1.264
  112    HZ1  LYS  14           HZ1      LYS  14  -2.868   8.108   3.629
  113    HZ2  LYS  14           HZ2      LYS  14  -2.321   6.568   3.961
  114    HZ3  LYS  14           HZ3      LYS  14  -3.678   6.778   3.003
  115    H    ALA  15           H        ALA  15   0.281   1.720  -0.945
  116    HA   ALA  15           HA       ALA  15   2.531   0.415   0.176
  117    HB1  ALA  15           HB1      ALA  15   0.577  -0.854  -0.552
  118    HB2  ALA  15           HB2      ALA  15   2.043  -1.375  -1.395
  119    HB3  ALA  15           HB3      ALA  15   0.870  -0.340  -2.218
  120    H    THR  16           H        THR  16   2.000   2.365  -2.640
  121    HA   THR  16           HA       THR  16   4.501   1.608  -3.794
  122    HB   THR  16           HB       THR  16   2.885   4.097  -4.439
  123    HG1  THR  16           HG1      THR  16   1.625   2.280  -4.908
  124   HG21  THR  16          HG21      THR  16   5.210   4.149  -5.239
  125   HG22  THR  16          HG22      THR  16   4.085   3.978  -6.589
  126   HG23  THR  16          HG23      THR  16   4.975   2.572  -5.986
  127    H    ILE  17           H        ILE  17   3.450   4.277  -1.702
  128    HA   ILE  17           HA       ILE  17   6.095   5.335  -1.790
  129    HB   ILE  17           HB       ILE  17   4.325   6.917  -1.424
  130   HG12  ILE  17          HG12      ILE  17   5.068   8.085   0.653
  131   HG13  ILE  17          HG13      ILE  17   6.006   6.658   1.068
  132   HG21  ILE  17          HG21      ILE  17   3.649   5.459   1.107
  133   HG22  ILE  17          HG22      ILE  17   2.688   5.535  -0.368
  134   HG23  ILE  17          HG23      ILE  17   2.949   6.994   0.590
  135   HD11  ILE  17          HD11      ILE  17   6.395   8.387  -1.368
  136   HD12  ILE  17          HD12      ILE  17   7.364   6.971  -0.939
  137   HD13  ILE  17          HD13      ILE  17   7.387   8.403   0.088
  138    H    PHE  18           H        PHE  18   4.287   3.646   0.800
  139    HA   PHE  18           HA       PHE  18   6.671   3.470   2.366
  140    HB2  PHE  18           HB2      PHE  18   3.954   2.272   2.865
  141    HB3  PHE  18           HB3      PHE  18   5.297   2.248   4.007
  142    HD1  PHE  18           HD1      PHE  18   2.331   3.759   3.534
  143    HD2  PHE  18           HD2      PHE  18   6.419   4.805   3.972
  144    HE1  PHE  18           HE1      PHE  18   1.660   5.992   4.342
  145    HE2  PHE  18           HE2      PHE  18   5.767   7.041   4.803
  146    HZ   PHE  18           HZ       PHE  18   3.385   7.634   4.985
  147    H    GLY  19           H        GLY  19   4.641   1.086   0.767
  148    HA2  GLY  19           HA2      GLY  19   6.128  -1.190   1.556
  149    HA3  GLY  19           HA3      GLY  19   5.014  -1.111   0.194
  150    H    LEU  20           H        LEU  20   6.060   0.514  -1.536
  151    HA   LEU  20           HA       LEU  20   8.071  -0.970  -2.732
  152    HB2  LEU  20           HB2      LEU  20   6.452   0.979  -3.581
  153    HB3  LEU  20           HB3      LEU  20   7.951   1.881  -3.459
  154    HG   LEU  20           HG       LEU  20   8.964  -0.005  -4.830
  155   HD11  LEU  20          HD11      LEU  20   7.392  -1.239  -6.242
  156   HD12  LEU  20          HD12      LEU  20   6.057  -0.447  -5.405
  157   HD13  LEU  20          HD13      LEU  20   7.103  -1.554  -4.522
  158   HD21  LEU  20          HD21      LEU  20   8.606   2.229  -5.715
  159   HD22  LEU  20          HD22      LEU  20   6.921   1.835  -6.079
  160   HD23  LEU  20          HD23      LEU  20   8.230   1.011  -6.931
  161    H    ALA  21           H        ALA  21   8.358   1.771  -0.477
  162    HA   ALA  21           HA       ALA  21  11.046   2.377  -0.897
  163    HB1  ALA  21           HB1      ALA  21  11.000   3.276   1.389
  164    HB2  ALA  21           HB2      ALA  21   9.466   2.452   1.670
  165    HB3  ALA  21           HB3      ALA  21   9.561   3.756   0.486
  166    H    ALA  22           H        ALA  22   9.523  -0.266   0.783
  167    HA   ALA  22           HA       ALA  22  11.889  -1.112   2.132
  168    HB1  ALA  22           HB1      ALA  22  10.646  -3.139   2.655
  169    HB2  ALA  22           HB2      ALA  22   9.389  -2.674   1.508
  170    HB3  ALA  22           HB3      ALA  22   9.656  -1.709   2.965
  171    H    TRP  23           H        TRP  23  10.513  -1.687  -0.987
  172    HA   TRP  23           HA       TRP  23  12.384  -3.848  -1.427
  173    HB2  TRP  23           HB2      TRP  23   9.821  -3.329  -2.387
  174    HB3  TRP  23           HB3      TRP  23  10.879  -3.080  -3.758
  175    HD1  TRP  23           HD1      TRP  23  10.872  -5.243  -5.156
  176    HE1  TRP  23           HE1      TRP  23  11.160  -7.751  -4.661
  177    HE3  TRP  23           HE3      TRP  23  11.078  -5.028  -0.059
  178    HZ2  TRP  23           HZ2      TRP  23  11.456  -9.419  -2.379
  179    HZ3  TRP  23           HZ3      TRP  23  11.383  -7.080   1.212
  180    HH2  TRP  23           HH2      TRP  23  11.566  -9.256   0.078
  181    H    ALA  24           H        ALA  24  11.773  -0.623  -2.676
  182    HA   ALA  24           HA       ALA  24  13.969  -0.726  -4.492
  183    HB1  ALA  24           HB1      ALA  24  12.020   0.697  -4.895
  184    HB2  ALA  24           HB2      ALA  24  13.514   1.634  -4.872
  185    HB3  ALA  24           HB3      ALA  24  12.436   1.657  -3.476
  186    H    LEU  25           H        LEU  25  13.415   1.030  -1.469
  187    HA   LEU  25           HA       LEU  25  16.090   2.053  -1.444
  188    HB2  LEU  25           HB2      LEU  25  13.803   2.348   0.471
  189    HB3  LEU  25           HB3      LEU  25  15.354   3.169   0.649
  190    HG   LEU  25           HG       LEU  25  13.383   3.498  -1.617
  191   HD11  LEU  25          HD11      LEU  25  13.011   5.710  -0.684
  192   HD12  LEU  25          HD12      LEU  25  14.050   5.310   0.688
  193   HD13  LEU  25          HD13      LEU  25  12.541   4.432   0.434
  194   HD21  LEU  25          HD21      LEU  25  15.988   4.909  -1.045
  195   HD22  LEU  25          HD22      LEU  25  14.806   5.423  -2.235
  196   HD23  LEU  25          HD23      LEU  25  15.622   3.874  -2.427
  197    H    LEU  26           H        LEU  26  14.354  -0.459   0.314
  198    HA   LEU  26           HA       LEU  26  16.496  -0.651   2.256
  199    HB2  LEU  26           HB2      LEU  26  14.224  -0.592   3.063
  200    HB3  LEU  26           HB3      LEU  26  13.812  -1.976   2.073
  201    HG   LEU  26           HG       LEU  26  15.509  -3.239   3.424
  202   HD11  LEU  26          HD11      LEU  26  15.946  -2.392   5.706
  203   HD12  LEU  26          HD12      LEU  26  15.211  -0.855   5.241
  204   HD13  LEU  26          HD13      LEU  26  16.684  -1.407   4.446
  205   HD21  LEU  26          HD21      LEU  26  13.139  -3.625   3.662
  206   HD22  LEU  26          HD22      LEU  26  12.981  -2.229   4.721
  207   HD23  LEU  26          HD23      LEU  26  13.884  -3.647   5.262
  208    H    ALA  27           H        ALA  27  15.494  -2.219  -0.521
  209    HA   ALA  27           HA       ALA  27  17.051  -4.604   0.209
  210    HB1  ALA  27           HB1      ALA  27  14.911  -4.409  -1.918
  211    HB2  ALA  27           HB2      ALA  27  14.693  -5.087  -0.307
  212    HB3  ALA  27           HB3      ALA  27  15.767  -5.877  -1.450
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1 -13.104  10.402  -4.066
    2    H2   ARG   1           HT2      ARG   1 -11.707  11.221  -3.556
    3    H3   ARG   1           HT3      ARG   1 -12.863  10.693  -2.434
    4    HA   ARG   1           HA       ARG   1 -11.326   8.900  -4.181
    5    HB2  ARG   1           HB2      ARG   1 -11.063   9.453  -1.210
    6    HB3  ARG   1           HB3      ARG   1 -10.161   8.242  -2.092
    7    HG2  ARG   1           HG2      ARG   1  -9.012   9.914  -3.354
    8    HG3  ARG   1           HG3      ARG   1 -10.021  11.188  -2.668
    9    HD2  ARG   1           HD2      ARG   1  -9.127  10.646  -0.446
   10    HD3  ARG   1           HD3      ARG   1  -8.085   9.432  -1.179
   11    HE   ARG   1           HE       ARG   1  -7.808  12.070  -2.290
   12   HH11  ARG   1          HH11      ARG   1  -6.725   9.961   0.288
   13   HH12  ARG   1          HH12      ARG   1  -5.193  10.681   0.460
   14   HH21  ARG   1          HH21      ARG   1  -5.809  13.117  -2.045
   15   HH22  ARG   1          HH22      ARG   1  -4.631  12.598  -0.926
   16    H    ASN   2           H        ASN   2 -11.523   6.657  -3.022
   17    HA   ASN   2           HA       ASN   2 -14.344   6.329  -2.264
   18    HB2  ASN   2           HB2      ASN   2 -12.502   4.442  -3.738
   19    HB3  ASN   2           HB3      ASN   2 -14.026   3.932  -3.031
   20   HD21  ASN   2          HD21      ASN   2 -13.175   3.897  -5.768
   21   HD22  ASN   2          HD22      ASN   2 -14.324   4.837  -6.659
   22    H    LYS   3           H        LYS   3 -14.604   5.829  -0.209
   23    HA   LYS   3           HA       LYS   3 -12.351   4.712   1.178
   24    HB2  LYS   3           HB2      LYS   3 -13.542   6.401   2.414
   25    HB3  LYS   3           HB3      LYS   3 -15.084   5.525   2.218
   26    HG2  LYS   3           HG2      LYS   3 -14.286   5.163   4.435
   27    HG3  LYS   3           HG3      LYS   3 -14.025   3.695   3.463
   28    HD2  LYS   3           HD2      LYS   3 -11.701   5.050   3.091
   29    HD3  LYS   3           HD3      LYS   3 -12.092   5.384   4.785
   30    HE2  LYS   3           HE2      LYS   3 -12.156   2.737   3.477
   31    HE3  LYS   3           HE3      LYS   3 -10.802   3.311   4.479
   32    HZ1  LYS   3           HZ1      LYS   3 -13.613   2.961   5.430
   33    HZ2  LYS   3           HZ2      LYS   3 -12.263   3.341   6.394
   34    HZ3  LYS   3           HZ3      LYS   3 -12.403   1.843   5.671
   35    H    LEU   4           H        LEU   4 -12.028   2.742   0.710
   36    HA   LEU   4           HA       LEU   4 -14.155   0.769   1.086
   37    HB2  LEU   4           HB2      LEU   4 -13.781   1.439  -1.324
   38    HB3  LEU   4           HB3      LEU   4 -12.170   0.777  -1.188
   39    HG   LEU   4           HG       LEU   4 -13.230  -1.449  -0.627
   40   HD11  LEU   4          HD11      LEU   4 -15.411  -0.632   0.070
   41   HD12  LEU   4          HD12      LEU   4 -15.551  -1.777  -1.265
   42   HD13  LEU   4          HD13      LEU   4 -15.723  -0.050  -1.567
   43   HD21  LEU   4          HD21      LEU   4 -13.770  -1.952  -2.957
   44   HD22  LEU   4          HD22      LEU   4 -12.331  -0.938  -2.834
   45   HD23  LEU   4          HD23      LEU   4 -13.876  -0.226  -3.297
   46    H    ALA   5           H        ALA   5 -13.270  -1.246   1.752
   47    HA   ALA   5           HA       ALA   5 -11.041  -1.070   3.427
   48    HB1  ALA   5           HB1      ALA   5 -12.888  -2.621   3.811
   49    HB2  ALA   5           HB2      ALA   5 -11.334  -3.460   3.779
   50    HB3  ALA   5           HB3      ALA   5 -12.410  -3.537   2.379
   51    H    TYR   6           H        TYR   6 -11.403  -2.030   0.176
   52    HA   TYR   6           HA       TYR   6  -8.819  -3.253   0.001
   53    HB2  TYR   6           HB2      TYR   6 -10.747  -2.434  -2.163
   54    HB3  TYR   6           HB3      TYR   6  -9.237  -3.289  -2.451
   55    HD1  TYR   6           HD1      TYR   6  -8.931  -5.574  -1.601
   56    HD2  TYR   6           HD2      TYR   6 -12.676  -3.584  -1.323
   57    HE1  TYR   6           HE1      TYR   6 -10.019  -7.710  -1.167
   58    HE2  TYR   6           HE2      TYR   6 -13.787  -5.715  -0.880
   59    HH   TYR   6           HH       TYR   6 -12.120  -8.442  -0.010
   60    H    ASN   7           H        ASN   7 -10.102  -0.123  -0.421
   61    HA   ASN   7           HA       ASN   7  -7.776   0.860  -1.823
   62    HB2  ASN   7           HB2      ASN   7  -9.995   1.986  -2.194
   63    HB3  ASN   7           HB3      ASN   7  -9.956   2.505  -0.516
   64   HD21  ASN   7          HD21      ASN   7 -10.019   4.709  -1.204
   65   HD22  ASN   7          HD22      ASN   7  -8.597   5.479  -1.814
   66    H    MET   8           H        MET   8  -9.131   1.551   1.397
   67    HA   MET   8           HA       MET   8  -6.570   2.576   2.094
   68    HB2  MET   8           HB2      MET   8  -9.086   2.356   3.687
   69    HB3  MET   8           HB3      MET   8  -7.574   2.834   4.438
   70    HG2  MET   8           HG2      MET   8  -8.746   4.250   2.063
   71    HG3  MET   8           HG3      MET   8  -9.174   4.669   3.707
   72    HE1  MET   8           HE1      MET   8  -6.476   4.690   0.918
   73    HE2  MET   8           HE2      MET   8  -5.324   3.954   2.073
   74    HE3  MET   8           HE3      MET   8  -5.179   5.632   1.618
   75    H    GLY   9           H        GLY   9  -8.379  -0.146   3.475
   76    HA2  GLY   9           HA2      GLY   9  -6.327  -0.953   5.218
   77    HA3  GLY   9           HA3      GLY   9  -7.673  -1.942   4.704
   78    H    HIS  10           H        HIS  10  -7.158  -2.202   2.028
   79    HA   HIS  10           HA       HIS  10  -5.201  -4.289   2.107
   80    HB2  HIS  10           HB2      HIS  10  -7.234  -4.266   0.682
   81    HB3  HIS  10           HB3      HIS  10  -6.485  -3.016  -0.316
   82    HD1  HIS  10           HD1      HIS  10  -5.140  -6.344   0.999
   83    HD2  HIS  10           HD2      HIS  10  -5.779  -4.292  -2.542
   84    HE1  HIS  10           HE1      HIS  10  -4.211  -7.764  -0.753
   85    H    TYR  11           H        TYR  11  -5.129  -0.992   0.796
   86    HA   TYR  11           HA       TYR  11  -2.470  -1.287  -0.140
   87    HB2  TYR  11           HB2      TYR  11  -4.290   1.052   0.074
   88    HB3  TYR  11           HB3      TYR  11  -2.575   1.301  -0.257
   89    HD1  TYR  11           HD1      TYR  11  -1.643   0.749  -2.348
   90    HD2  TYR  11           HD2      TYR  11  -5.678  -0.215  -1.501
   91    HE1  TYR  11           HE1      TYR  11  -1.985   0.237  -4.684
   92    HE2  TYR  11           HE2      TYR  11  -6.062  -0.755  -3.863
   93    HH   TYR  11           HH       TYR  11  -3.494  -1.136  -6.052
   94    H    ALA  12           H        ALA  12  -3.781  -0.285   2.903
   95    HA   ALA  12           HA       ALA  12  -1.589   1.026   3.974
   96    HB1  ALA  12           HB1      ALA  12  -2.414   0.308   6.175
   97    HB2  ALA  12           HB2      ALA  12  -3.434  -0.897   5.395
   98    HB3  ALA  12           HB3      ALA  12  -3.752   0.815   5.140
   99    H    GLY  13           H        GLY  13  -2.231  -2.418   3.784
  100    HA2  GLY  13           HA2      GLY  13   0.226  -3.151   5.065
  101    HA3  GLY  13           HA3      GLY  13  -0.841  -4.246   4.195
  102    H    LYS  14           H        LYS  14  -0.865  -2.907   1.735
  103    HA   LYS  14           HA       LYS  14   1.465  -4.034   0.620
  104    HB2  LYS  14           HB2      LYS  14  -0.914  -2.683  -0.497
  105    HB3  LYS  14           HB3      LYS  14   0.515  -2.760  -1.518
  106    HG2  LYS  14           HG2      LYS  14  -1.050  -4.622  -1.887
  107    HG3  LYS  14           HG3      LYS  14   0.548  -5.161  -1.384
  108    HD2  LYS  14           HD2      LYS  14  -0.347  -5.355   0.937
  109    HD3  LYS  14           HD3      LYS  14  -1.943  -4.973   0.302
  110    HE2  LYS  14           HE2      LYS  14  -1.915  -6.932  -1.083
  111    HE3  LYS  14           HE3      LYS  14  -0.250  -7.282  -0.605
  112    HZ1  LYS  14           HZ1      LYS  14  -1.834  -8.616   0.593
  113    HZ2  LYS  14           HZ2      LYS  14  -2.587  -7.241   1.229
  114    HZ3  LYS  14           HZ3      LYS  14  -0.994  -7.607   1.643
  115    H    ALA  15           H        ALA  15   0.629  -0.712   1.289
  116    HA   ALA  15           HA       ALA  15   2.912   0.278  -0.054
  117    HB1  ALA  15           HB1      ALA  15   1.301   1.580   2.136
  118    HB2  ALA  15           HB2      ALA  15   0.994   1.716   0.395
  119    HB3  ALA  15           HB3      ALA  15   2.487   2.364   1.090
  120    H    THR  16           H        THR  16   2.346  -1.026   3.113
  121    HA   THR  16           HA       THR  16   4.834  -0.070   4.091
  122    HB   THR  16           HB       THR  16   3.248  -2.362   5.278
  123    HG1  THR  16           HG1      THR  16   1.822  -0.631   5.320
  124   HG21  THR  16          HG21      THR  16   4.407  -1.600   7.342
  125   HG22  THR  16          HG22      THR  16   5.219  -0.355   6.376
  126   HG23  THR  16          HG23      THR  16   5.550  -2.048   6.065
  127    H    ILE  17           H        ILE  17   3.769  -3.164   2.687
  128    HA   ILE  17           HA       ILE  17   6.436  -4.159   3.015
  129    HB   ILE  17           HB       ILE  17   4.701  -5.838   3.072
  130   HG12  ILE  17          HG12      ILE  17   6.305  -6.166   0.528
  131   HG13  ILE  17          HG13      ILE  17   6.891  -6.523   2.153
  132   HG21  ILE  17          HG21      ILE  17   2.994  -4.820   1.746
  133   HG22  ILE  17          HG22      ILE  17   3.325  -6.438   1.120
  134   HG23  ILE  17          HG23      ILE  17   3.957  -5.019   0.281
  135   HD11  ILE  17          HD11      ILE  17   4.635  -7.931   0.723
  136   HD12  ILE  17          HD12      ILE  17   5.239  -8.318   2.339
  137   HD13  ILE  17          HD13      ILE  17   6.278  -8.535   0.934
  138    H    PHE  18           H        PHE  18   4.612  -3.142   0.125
  139    HA   PHE  18           HA       PHE  18   6.949  -3.447  -1.513
  140    HB2  PHE  18           HB2      PHE  18   4.267  -2.259  -2.230
  141    HB3  PHE  18           HB3      PHE  18   5.548  -2.667  -3.358
  142    HD1  PHE  18           HD1      PHE  18   6.429  -5.272  -2.402
  143    HD2  PHE  18           HD2      PHE  18   2.515  -3.657  -2.715
  144    HE1  PHE  18           HE1      PHE  18   5.502  -7.556  -2.624
  145    HE2  PHE  18           HE2      PHE  18   1.588  -5.931  -2.942
  146    HZ   PHE  18           HZ       PHE  18   3.085  -7.874  -2.887
  147    H    GLY  19           H        GLY  19   4.925  -0.736  -0.586
  148    HA2  GLY  19           HA2      GLY  19   6.332   1.325  -1.878
  149    HA3  GLY  19           HA3      GLY  19   5.267   1.491  -0.485
  150    H    LEU  20           H        LEU  20   6.418   0.383   1.505
  151    HA   LEU  20           HA       LEU  20   8.442   2.140   2.237
  152    HB2  LEU  20           HB2      LEU  20   6.853   0.476   3.583
  153    HB3  LEU  20           HB3      LEU  20   8.346  -0.442   3.634
  154    HG   LEU  20           HG       LEU  20   9.426   1.695   4.473
  155   HD11  LEU  20          HD11      LEU  20   7.562   3.162   3.872
  156   HD12  LEU  20          HD12      LEU  20   7.935   3.270   5.600
  157   HD13  LEU  20          HD13      LEU  20   6.549   2.320   5.046
  158   HD21  LEU  20          HD21      LEU  20   9.061  -0.268   5.866
  159   HD22  LEU  20          HD22      LEU  20   7.412   0.264   6.201
  160   HD23  LEU  20          HD23      LEU  20   8.787   1.215   6.776
  161    H    ALA  21           H        ALA  21   8.661  -1.126   0.797
  162    HA   ALA  21           HA       ALA  21  11.412  -1.470   1.221
  163    HB1  ALA  21           HB1      ALA  21  11.287  -3.110  -0.581
  164    HB2  ALA  21           HB2      ALA  21   9.699  -2.489  -1.035
  165    HB3  ALA  21           HB3      ALA  21   9.921  -3.291   0.522
  166    H    ALA  22           H        ALA  22   9.566   0.299  -1.147
  167    HA   ALA  22           HA       ALA  22  11.736   0.830  -2.898
  168    HB1  ALA  22           HB1      ALA  22   9.227   2.445  -2.455
  169    HB2  ALA  22           HB2      ALA  22   9.380   1.100  -3.584
  170    HB3  ALA  22           HB3      ALA  22  10.309   2.581  -3.843
  171    H    TRP  23           H        TRP  23  10.601   2.260   0.020
  172    HA   TRP  23           HA       TRP  23  12.385   4.495  -0.306
  173    HB2  TRP  23           HB2      TRP  23  10.034   4.081   1.076
  174    HB3  TRP  23           HB3      TRP  23  11.249   4.211   2.343
  175    HD1  TRP  23           HD1      TRP  23  11.203   6.641   3.167
  176    HE1  TRP  23           HE1      TRP  23  11.143   8.977   2.056
  177    HE3  TRP  23           HE3      TRP  23  10.860   5.215  -1.728
  178    HZ2  TRP  23           HZ2      TRP  23  11.014  10.056  -0.552
  179    HZ3  TRP  23           HZ3      TRP  23  10.796   6.919  -3.463
  180    HH2  TRP  23           HH2      TRP  23  10.863   9.312  -2.899
  181    H    ALA  24           H        ALA  24  12.188   1.654   1.761
  182    HA   ALA  24           HA       ALA  24  14.596   2.288   3.136
  183    HB1  ALA  24           HB1      ALA  24  13.192  -0.368   2.941
  184    HB2  ALA  24           HB2      ALA  24  12.813   0.895   4.102
  185    HB3  ALA  24           HB3      ALA  24  14.388   0.097   4.154
  186    H    LEU  25           H        LEU  25  13.796  -0.130   0.667
  187    HA   LEU  25           HA       LEU  25  16.525  -0.999   0.494
  188    HB2  LEU  25           HB2      LEU  25  13.981  -1.878  -0.795
  189    HB3  LEU  25           HB3      LEU  25  15.546  -2.555  -1.287
  190    HG   LEU  25           HG       LEU  25  14.245  -2.727   1.449
  191   HD11  LEU  25          HD11      LEU  25  13.121  -4.098  -0.216
  192   HD12  LEU  25          HD12      LEU  25  14.014  -5.097   0.939
  193   HD13  LEU  25          HD13      LEU  25  14.665  -4.818  -0.675
  194   HD21  LEU  25          HD21      LEU  25  16.794  -3.949   0.411
  195   HD22  LEU  25          HD22      LEU  25  16.051  -4.291   1.972
  196   HD23  LEU  25          HD23      LEU  25  16.665  -2.675   1.622
  197    H    LEU  26           H        LEU  26  14.410   1.023  -1.437
  198    HA   LEU  26           HA       LEU  26  16.287   0.858  -3.663
  199    HB2  LEU  26           HB2      LEU  26  13.987   0.421  -4.202
  200    HB3  LEU  26           HB3      LEU  26  13.497   1.926  -3.461
  201    HG   LEU  26           HG       LEU  26  14.819   3.100  -5.210
  202   HD11  LEU  26          HD11      LEU  26  16.234   1.305  -5.972
  203   HD12  LEU  26          HD12      LEU  26  15.238   1.879  -7.313
  204   HD13  LEU  26          HD13      LEU  26  14.824   0.383  -6.485
  205   HD21  LEU  26          HD21      LEU  26  12.438   3.093  -5.316
  206   HD22  LEU  26          HD22      LEU  26  12.413   1.463  -5.986
  207   HD23  LEU  26          HD23      LEU  26  13.048   2.797  -6.945
  208    H    ALA  27           H        ALA  27  15.464   2.946  -1.205
  209    HA   ALA  27           HA       ALA  27  16.622   5.191  -2.686
  210    HB1  ALA  27           HB1      ALA  27  15.466   6.723  -1.200
  211    HB2  ALA  27           HB2      ALA  27  14.878   5.367  -0.237
  212    HB3  ALA  27           HB3      ALA  27  14.319   5.575  -1.894
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1  16.709  -9.948  -1.185
    2    H2   ARG   1           HT2      ARG   1  16.789  -8.381  -0.561
    3    H3   ARG   1           HT3      ARG   1  17.101  -8.644  -2.184
    4    HA   ARG   1           HA       ARG   1  14.901  -9.210  -2.635
    5    HB2  ARG   1           HB2      ARG   1  14.548  -8.735   0.322
    6    HB3  ARG   1           HB3      ARG   1  13.222  -8.672  -0.827
    7    HG2  ARG   1           HG2      ARG   1  14.976 -11.073  -0.434
    8    HG3  ARG   1           HG3      ARG   1  13.436 -10.811   0.395
    9    HD2  ARG   1           HD2      ARG   1  12.327 -10.681  -1.807
   10    HD3  ARG   1           HD3      ARG   1  13.876 -11.055  -2.572
   11    HE   ARG   1           HE       ARG   1  13.588 -13.062  -0.845
   12   HH11  ARG   1          HH11      ARG   1  11.296 -11.805  -3.301
   13   HH12  ARG   1          HH12      ARG   1  10.634 -13.344  -3.562
   14   HH21  ARG   1          HH21      ARG   1  12.621 -15.068  -1.262
   15   HH22  ARG   1          HH22      ARG   1  11.371 -15.244  -2.407
   16    H    ASN   2           H        ASN   2  13.073  -7.467  -2.497
   17    HA   ASN   2           HA       ASN   2  14.486  -5.009  -3.001
   18    HB2  ASN   2           HB2      ASN   2  12.829  -5.892  -4.640
   19    HB3  ASN   2           HB3      ASN   2  11.564  -5.599  -3.443
   20   HD21  ASN   2          HD21      ASN   2  10.525  -4.165  -4.772
   21   HD22  ASN   2          HD22      ASN   2  11.138  -2.584  -5.126
   22    H    LYS   3           H        LYS   3  15.007  -4.362  -0.988
   23    HA   LYS   3           HA       LYS   3  12.867  -3.591   0.903
   24    HB2  LYS   3           HB2      LYS   3  14.662  -5.083   1.701
   25    HB3  LYS   3           HB3      LYS   3  15.854  -3.895   1.221
   26    HG2  LYS   3           HG2      LYS   3  14.427  -2.340   2.836
   27    HG3  LYS   3           HG3      LYS   3  13.995  -3.902   3.546
   28    HD2  LYS   3           HD2      LYS   3  15.909  -3.092   4.721
   29    HD3  LYS   3           HD3      LYS   3  16.482  -4.385   3.660
   30    HE2  LYS   3           HE2      LYS   3  17.081  -2.571   1.977
   31    HE3  LYS   3           HE3      LYS   3  16.694  -1.416   3.240
   32    HZ1  LYS   3           HZ1      LYS   3  19.048  -1.872   3.137
   33    HZ2  LYS   3           HZ2      LYS   3  18.742  -3.516   3.411
   34    HZ3  LYS   3           HZ3      LYS   3  18.389  -2.399   4.609
   35    H    LEU   4           H        LEU   4  12.513  -1.462   1.173
   36    HA   LEU   4           HA       LEU   4  14.423   0.559   1.028
   37    HB2  LEU   4           HB2      LEU   4  14.232   0.097  -1.441
   38    HB3  LEU   4           HB3      LEU   4  12.518   0.446  -1.332
   39    HG   LEU   4           HG       LEU   4  13.084   2.771  -0.662
   40   HD11  LEU   4          HD11      LEU   4  15.296   2.398   0.251
   41   HD12  LEU   4          HD12      LEU   4  15.346   3.598  -1.032
   42   HD13  LEU   4          HD13      LEU   4  15.894   1.951  -1.346
   43   HD21  LEU   4          HD21      LEU   4  13.742   3.491  -2.907
   44   HD22  LEU   4          HD22      LEU   4  12.525   2.215  -2.969
   45   HD23  LEU   4          HD23      LEU   4  14.216   1.838  -3.295
   46    H    ALA   5           H        ALA   5  13.474   2.480   1.730
   47    HA   ALA   5           HA       ALA   5  11.272   2.351   3.350
   48    HB1  ALA   5           HB1      ALA   5  12.422   4.810   2.055
   49    HB2  ALA   5           HB2      ALA   5  12.986   4.066   3.554
   50    HB3  ALA   5           HB3      ALA   5  11.384   4.796   3.479
   51    H    TYR   6           H        TYR   6  11.432   3.028   0.005
   52    HA   TYR   6           HA       TYR   6   8.736   4.026  -0.080
   53    HB2  TYR   6           HB2      TYR   6  10.753   3.616  -2.288
   54    HB3  TYR   6           HB3      TYR   6   9.115   4.224  -2.557
   55    HD1  TYR   6           HD1      TYR   6   8.424   6.374  -1.695
   56    HD2  TYR   6           HD2      TYR   6  12.415   5.012  -1.178
   57    HE1  TYR   6           HE1      TYR   6   9.101   8.627  -1.019
   58    HE2  TYR   6           HE2      TYR   6  13.107   7.267  -0.499
   59    HH   TYR   6           HH       TYR   6  10.912   9.609   0.382
   60    H    ASN   7           H        ASN   7  10.253   1.069  -0.319
   61    HA   ASN   7           HA       ASN   7   8.113  -0.203  -1.748
   62    HB2  ASN   7           HB2      ASN   7  10.348  -1.453  -0.122
   63    HB3  ASN   7           HB3      ASN   7   9.168  -2.336  -1.091
   64   HD21  ASN   7          HD21      ASN   7  12.017  -2.296  -1.317
   65   HD22  ASN   7          HD22      ASN   7  12.358  -1.742  -2.917
   66    H    MET   8           H        MET   8   9.281  -0.316   1.569
   67    HA   MET   8           HA       MET   8   6.841  -1.553   2.335
   68    HB2  MET   8           HB2      MET   8   9.296  -0.804   3.840
   69    HB3  MET   8           HB3      MET   8   7.864  -1.313   4.736
   70    HG2  MET   8           HG2      MET   8   9.222  -2.942   2.586
   71    HG3  MET   8           HG3      MET   8   9.697  -3.002   4.268
   72    HE1  MET   8           HE1      MET   8   5.829  -3.048   2.741
   73    HE2  MET   8           HE2      MET   8   5.797  -4.790   2.513
   74    HE3  MET   8           HE3      MET   8   6.978  -3.808   1.637
   75    H    GLY   9           H        GLY   9   8.302   1.517   3.378
   76    HA2  GLY   9           HA2      GLY   9   6.051   2.337   4.876
   77    HA3  GLY   9           HA3      GLY   9   7.398   3.343   4.365
   78    H    HIS  10           H        HIS  10   7.114   3.265   1.659
   79    HA   HIS  10           HA       HIS  10   5.007   5.180   1.297
   80    HB2  HIS  10           HB2      HIS  10   7.083   5.237  -0.051
   81    HB3  HIS  10           HB3      HIS  10   6.597   3.739  -0.845
   82    HD1  HIS  10           HD1      HIS  10   4.593   6.876  -0.173
   83    HD2  HIS  10           HD2      HIS  10   5.967   4.550  -3.303
   84    HE1  HIS  10           HE1      HIS  10   3.505   7.784  -2.181
   85    H    TYR  11           H        TYR  11   5.239   1.736   0.467
   86    HA   TYR  11           HA       TYR  11   2.675   1.717  -0.686
   87    HB2  TYR  11           HB2      TYR  11   4.549  -0.400   0.157
   88    HB3  TYR  11           HB3      TYR  11   2.849  -0.830  -0.054
   89    HD1  TYR  11           HD1      TYR  11   5.818   0.507  -1.735
   90    HD2  TYR  11           HD2      TYR  11   1.889  -0.981  -2.164
   91    HE1  TYR  11           HE1      TYR  11   6.156   0.356  -4.169
   92    HE2  TYR  11           HE2      TYR  11   2.163  -1.152  -4.572
   93    HH   TYR  11           HH       TYR  11   5.287  -0.748  -6.043
   94    H    ALA  12           H        ALA  12   3.756   1.419   2.581
   95    HA   ALA  12           HA       ALA  12   1.416   0.441   3.740
   96    HB1  ALA  12           HB1      ALA  12   3.309   2.511   4.884
   97    HB2  ALA  12           HB2      ALA  12   3.489   0.766   5.035
   98    HB3  ALA  12           HB3      ALA  12   2.127   1.582   5.806
   99    H    GLY  13           H        GLY  13   2.253   3.606   2.583
  100    HA2  GLY  13           HA2      GLY  13  -0.013   4.975   3.576
  101    HA3  GLY  13           HA3      GLY  13   0.969   5.477   2.202
  102    H    LYS  14           H        LYS  14   0.637   3.474   0.447
  103    HA   LYS  14           HA       LYS  14  -1.916   4.196  -0.596
  104    HB2  LYS  14           HB2      LYS  14   0.179   2.358  -1.713
  105    HB3  LYS  14           HB3      LYS  14  -1.388   2.529  -2.475
  106    HG2  LYS  14           HG2      LYS  14  -0.153   4.036  -3.686
  107    HG3  LYS  14           HG3      LYS  14  -0.823   5.071  -2.432
  108    HD2  LYS  14           HD2      LYS  14   1.467   5.648  -2.621
  109    HD3  LYS  14           HD3      LYS  14   1.332   4.681  -1.152
  110    HE2  LYS  14           HE2      LYS  14   3.272   3.972  -2.422
  111    HE3  LYS  14           HE3      LYS  14   2.057   2.696  -2.439
  112    HZ1  LYS  14           HZ1      LYS  14   3.062   3.080  -4.638
  113    HZ2  LYS  14           HZ2      LYS  14   2.485   4.648  -4.634
  114    HZ3  LYS  14           HZ3      LYS  14   1.411   3.368  -4.637
  115    H    ALA  15           H        ALA  15  -0.668   1.313   0.899
  116    HA   ALA  15           HA       ALA  15  -2.925  -0.232   0.192
  117    HB1  ALA  15           HB1      ALA  15  -2.111  -1.860   1.737
  118    HB2  ALA  15           HB2      ALA  15  -0.975  -0.693   2.432
  119    HB3  ALA  15           HB3      ALA  15  -0.778  -1.241   0.753
  120    H    THR  16           H        THR  16  -2.193   1.885   2.851
  121    HA   THR  16           HA       THR  16  -4.449   0.992   4.334
  122    HB   THR  16           HB       THR  16  -2.960   3.603   4.759
  123    HG1  THR  16           HG1      THR  16  -1.437   2.027   5.032
  124   HG21  THR  16          HG21      THR  16  -5.131   3.411   5.904
  125   HG22  THR  16          HG22      THR  16  -3.810   3.339   7.075
  126   HG23  THR  16          HG23      THR  16  -4.632   1.859   6.559
  127    H    ILE  17           H        ILE  17  -3.839   3.735   2.127
  128    HA   ILE  17           HA       ILE  17  -6.522   4.607   2.565
  129    HB   ILE  17           HB       ILE  17  -4.913   6.334   2.017
  130   HG12  ILE  17          HG12      ILE  17  -6.056   7.487   0.125
  131   HG13  ILE  17          HG13      ILE  17  -6.947   6.005  -0.198
  132   HG21  ILE  17          HG21      ILE  17  -4.539   4.982  -0.639
  133   HG22  ILE  17          HG22      ILE  17  -3.353   5.132   0.660
  134   HG23  ILE  17          HG23      ILE  17  -3.907   6.567  -0.198
  135   HD11  ILE  17          HD11      ILE  17  -7.983   6.155   2.017
  136   HD12  ILE  17          HD12      ILE  17  -8.290   7.601   1.060
  137   HD13  ILE  17          HD13      ILE  17  -7.068   7.630   2.335
  138    H    PHE  18           H        PHE  18  -4.955   3.064  -0.258
  139    HA   PHE  18           HA       PHE  18  -7.491   2.799  -1.574
  140    HB2  PHE  18           HB2      PHE  18  -4.811   1.659  -2.359
  141    HB3  PHE  18           HB3      PHE  18  -6.235   1.732  -3.391
  142    HD1  PHE  18           HD1      PHE  18  -3.214   3.070  -3.149
  143    HD2  PHE  18           HD2      PHE  18  -7.251   4.366  -3.066
  144    HE1  PHE  18           HE1      PHE  18  -2.482   5.295  -3.857
  145    HE2  PHE  18           HE2      PHE  18  -6.539   6.625  -3.798
  146    HZ   PHE  18           HZ       PHE  18  -4.139   7.085  -4.189
  147    H    GLY  19           H        GLY  19  -5.090   0.462  -0.442
  148    HA2  GLY  19           HA2      GLY  19  -6.518  -1.881  -0.984
  149    HA3  GLY  19           HA3      GLY  19  -5.269  -1.728   0.234
  150    H    LEU  20           H        LEU  20  -6.218  -0.233   2.103
  151    HA   LEU  20           HA       LEU  20  -8.146  -1.799   3.381
  152    HB2  LEU  20           HB2      LEU  20  -6.621   0.493   4.083
  153    HB3  LEU  20           HB3      LEU  20  -8.269   0.662   4.687
  154    HG   LEU  20           HG       LEU  20  -8.008  -1.646   5.589
  155   HD11  LEU  20          HD11      LEU  20  -6.016  -2.317   4.347
  156   HD12  LEU  20          HD12      LEU  20  -5.729  -2.416   6.086
  157   HD13  LEU  20          HD13      LEU  20  -5.080  -1.063   5.170
  158   HD21  LEU  20          HD21      LEU  20  -6.847  -0.860   7.620
  159   HD22  LEU  20          HD22      LEU  20  -8.073   0.253   7.010
  160   HD23  LEU  20          HD23      LEU  20  -6.361   0.588   6.730
  161    H    ALA  21           H        ALA  21  -8.600   1.038   1.420
  162    HA   ALA  21           HA       ALA  21 -11.269   1.581   2.146
  163    HB1  ALA  21           HB1      ALA  21  -9.978   3.145   0.758
  164    HB2  ALA  21           HB2      ALA  21 -11.499   2.714  -0.020
  165    HB3  ALA  21           HB3      ALA  21  -9.991   1.979  -0.559
  166    H    ALA  22           H        ALA  22  -9.878  -0.866   0.175
  167    HA   ALA  22           HA       ALA  22 -12.273  -1.578  -1.175
  168    HB1  ALA  22           HB1      ALA  22 -10.061  -2.178  -2.048
  169    HB2  ALA  22           HB2      ALA  22 -11.099  -3.586  -1.840
  170    HB3  ALA  22           HB3      ALA  22  -9.819  -3.248  -0.668
  171    H    TRP  23           H        TRP  23 -10.811  -2.410   1.860
  172    HA   TRP  23           HA       TRP  23 -12.781  -4.481   2.248
  173    HB2  TRP  23           HB2      TRP  23 -10.154  -4.232   3.086
  174    HB3  TRP  23           HB3      TRP  23 -11.118  -4.000   4.547
  175    HD1  TRP  23           HD1      TRP  23 -11.383  -6.276   5.756
  176    HE1  TRP  23           HE1      TRP  23 -11.840  -8.715   5.006
  177    HE3  TRP  23           HE3      TRP  23 -11.419  -5.616   0.689
  178    HZ2  TRP  23           HZ2      TRP  23 -12.177 -10.144   2.625
  179    HZ3  TRP  23           HZ3      TRP  23 -11.823  -7.549  -0.750
  180    HH2  TRP  23           HH2      TRP  23 -12.193  -9.780   0.204
  181    H    ALA  24           H        ALA  24 -11.904  -1.396   3.660
  182    HA   ALA  24           HA       ALA  24 -14.062  -1.492   5.512
  183    HB1  ALA  24           HB1      ALA  24 -12.032  -0.205   5.962
  184    HB2  ALA  24           HB2      ALA  24 -13.474   0.814   6.051
  185    HB3  ALA  24           HB3      ALA  24 -12.430   0.875   4.631
  186    H    LEU  25           H        LEU  25 -13.549   0.487   2.601
  187    HA   LEU  25           HA       LEU  25 -16.246   1.521   2.728
  188    HB2  LEU  25           HB2      LEU  25 -14.013   2.015   0.788
  189    HB3  LEU  25           HB3      LEU  25 -15.573   2.822   0.723
  190    HG   LEU  25           HG       LEU  25 -13.592   2.997   2.982
  191   HD11  LEU  25          HD11      LEU  25 -12.781   4.122   0.975
  192   HD12  LEU  25          HD12      LEU  25 -13.228   5.284   2.225
  193   HD13  LEU  25          HD13      LEU  25 -14.306   5.007   0.853
  194   HD21  LEU  25          HD21      LEU  25 -15.027   4.823   3.785
  195   HD22  LEU  25          HD22      LEU  25 -15.866   3.281   3.786
  196   HD23  LEU  25          HD23      LEU  25 -16.193   4.464   2.516
  197    H    LEU  26           H        LEU  26 -14.567  -0.814   0.701
  198    HA   LEU  26           HA       LEU  26 -16.743  -0.827  -1.207
  199    HB2  LEU  26           HB2      LEU  26 -14.423  -0.851  -1.970
  200    HB3  LEU  26           HB3      LEU  26 -14.156  -2.326  -1.082
  201    HG   LEU  26           HG       LEU  26 -15.819  -3.427  -2.526
  202   HD11  LEU  26          HD11      LEU  26 -16.994  -1.496  -3.424
  203   HD12  LEU  26          HD12      LEU  26 -16.311  -2.446  -4.737
  204   HD13  LEU  26          HD13      LEU  26 -15.521  -0.949  -4.228
  205   HD21  LEU  26          HD21      LEU  26 -13.478  -3.835  -2.845
  206   HD22  LEU  26          HD22      LEU  26 -13.306  -2.354  -3.793
  207   HD23  LEU  26          HD23      LEU  26 -14.241  -3.701  -4.429
  208    H    ALA  27           H        ALA  27 -15.860  -2.529   1.518
  209    HA   ALA  27           HA       ALA  27 -17.433  -4.854   0.690
  210    HB1  ALA  27           HB1      ALA  27 -15.178  -5.389   1.477
  211    HB2  ALA  27           HB2      ALA  27 -16.412  -6.073   2.541
  212    HB3  ALA  27           HB3      ALA  27 -15.544  -4.625   3.019
  Start of MODEL   11
    1    H1   ARG   1           HT1      ARG   1  15.036  -6.941  -2.004
    2    H2   ARG   1           HT2      ARG   1  16.379  -7.941  -2.100
    3    H3   ARG   1           HT3      ARG   1  15.723  -7.274  -3.495
    4    HA   ARG   1           HA       ARG   1  16.951  -5.735  -1.307
    5    HB2  ARG   1           HB2      ARG   1  18.001  -6.720  -3.930
    6    HB3  ARG   1           HB3      ARG   1  18.625  -5.225  -3.241
    7    HG2  ARG   1           HG2      ARG   1  19.399  -6.348  -1.320
    8    HG3  ARG   1           HG3      ARG   1  18.576  -7.840  -1.752
    9    HD2  ARG   1           HD2      ARG   1  20.974  -7.930  -2.210
   10    HD3  ARG   1           HD3      ARG   1  20.031  -8.086  -3.691
   11    HE   ARG   1           HE       ARG   1  20.637  -5.396  -3.397
   12   HH11  ARG   1          HH11      ARG   1  22.461  -8.400  -3.846
   13   HH12  ARG   1          HH12      ARG   1  23.749  -7.644  -4.656
   14   HH21  ARG   1          HH21      ARG   1  22.392  -4.377  -4.522
   15   HH22  ARG   1          HH22      ARG   1  23.685  -5.334  -5.085
   16    H    ASN   2           H        ASN   2  14.343  -5.313  -2.336
   17    HA   ASN   2           HA       ASN   2  14.706  -2.932  -3.984
   18    HB2  ASN   2           HB2      ASN   2  12.377  -3.221  -4.667
   19    HB3  ASN   2           HB3      ASN   2  13.301  -4.665  -5.040
   20   HD21  ASN   2          HD21      ASN   2  10.443  -4.287  -4.669
   21   HD22  ASN   2          HD22      ASN   2   9.953  -5.356  -3.409
   22    H    LYS   3           H        LYS   3  14.550  -3.794  -0.918
   23    HA   LYS   3           HA       LYS   3  12.368  -2.361   0.149
   24    HB2  LYS   3           HB2      LYS   3  13.681  -4.093   1.385
   25    HB3  LYS   3           HB3      LYS   3  15.005  -2.938   1.493
   26    HG2  LYS   3           HG2      LYS   3  13.141  -1.397   2.503
   27    HG3  LYS   3           HG3      LYS   3  12.366  -2.939   2.858
   28    HD2  LYS   3           HD2      LYS   3  13.680  -2.215   4.763
   29    HD3  LYS   3           HD3      LYS   3  14.417  -3.648   4.043
   30    HE2  LYS   3           HE2      LYS   3  16.123  -2.377   3.006
   31    HE3  LYS   3           HE3      LYS   3  15.283  -0.861   3.292
   32    HZ1  LYS   3           HZ1      LYS   3  16.463  -2.603   5.389
   33    HZ2  LYS   3           HZ2      LYS   3  15.690  -1.135   5.637
   34    HZ3  LYS   3           HZ3      LYS   3  17.146  -1.192   4.774
   35    H    LEU   4           H        LEU   4  12.132  -0.249   0.453
   36    HA   LEU   4           HA       LEU   4  14.265   1.632   0.802
   37    HB2  LEU   4           HB2      LEU   4  14.331   1.169  -1.627
   38    HB3  LEU   4           HB3      LEU   4  12.643   1.620  -1.760
   39    HG   LEU   4           HG       LEU   4  13.327   3.938  -0.984
   40   HD11  LEU   4          HD11      LEU   4  15.663   4.574  -1.200
   41   HD12  LEU   4          HD12      LEU   4  16.080   2.914  -1.602
   42   HD13  LEU   4          HD13      LEU   4  15.479   3.292   0.005
   43   HD21  LEU   4          HD21      LEU   4  14.155   4.609  -3.177
   44   HD22  LEU   4          HD22      LEU   4  12.835   3.451  -3.319
   45   HD23  LEU   4          HD23      LEU   4  14.504   2.931  -3.576
   46    H    ALA   5           H        ALA   5  13.307   3.770   1.100
   47    HA   ALA   5           HA       ALA   5  10.988   3.793   2.616
   48    HB1  ALA   5           HB1      ALA   5  12.714   5.496   2.737
   49    HB2  ALA   5           HB2      ALA   5  11.133   6.236   2.465
   50    HB3  ALA   5           HB3      ALA   5  12.281   6.060   1.127
   51    H    TYR   6           H        TYR   6  11.465   4.529  -0.729
   52    HA   TYR   6           HA       TYR   6   8.707   5.151  -1.098
   53    HB2  TYR   6           HB2      TYR   6  10.929   4.890  -3.094
   54    HB3  TYR   6           HB3      TYR   6   9.259   5.049  -3.604
   55    HD1  TYR   6           HD1      TYR   6  11.956   6.777  -1.736
   56    HD2  TYR   6           HD2      TYR   6   8.124   7.069  -3.549
   57    HE1  TYR   6           HE1      TYR   6  12.034   9.230  -1.502
   58    HE2  TYR   6           HE2      TYR   6   8.190   9.498  -3.329
   59    HH   TYR   6           HH       TYR   6  10.992  11.175  -2.616
   60    H    ASN   7           H        ASN   7  10.398   2.299  -1.002
   61    HA   ASN   7           HA       ASN   7   8.496   0.763  -2.539
   62    HB2  ASN   7           HB2      ASN   7  10.690  -0.169  -2.421
   63    HB3  ASN   7           HB3      ASN   7  10.731  -0.028  -0.670
   64   HD21  ASN   7          HD21      ASN   7   9.690  -1.979  -3.376
   65   HD22  ASN   7          HD22      ASN   7   9.109  -3.281  -2.411
   66    H    MET   8           H        MET   8   9.333   0.825   0.889
   67    HA   MET   8           HA       MET   8   6.800  -0.348   1.458
   68    HB2  MET   8           HB2      MET   8   8.611  -1.169   2.780
   69    HB3  MET   8           HB3      MET   8   9.013   0.435   3.338
   70    HG2  MET   8           HG2      MET   8   7.843  -1.028   5.013
   71    HG3  MET   8           HG3      MET   8   7.119   0.550   4.736
   72    HE1  MET   8           HE1      MET   8   5.286  -3.248   2.822
   73    HE2  MET   8           HE2      MET   8   6.794  -3.342   3.744
   74    HE3  MET   8           HE3      MET   8   6.741  -2.471   2.205
   75    H    GLY   9           H        GLY   9   8.200   2.764   2.498
   76    HA2  GLY   9           HA2      GLY   9   5.876   3.512   3.939
   77    HA3  GLY   9           HA3      GLY   9   7.193   4.569   3.482
   78    H    HIS  10           H        HIS  10   7.004   4.342   0.731
   79    HA   HIS  10           HA       HIS  10   4.863   6.179   0.187
   80    HB2  HIS  10           HB2      HIS  10   7.015   6.181  -0.997
   81    HB3  HIS  10           HB3      HIS  10   6.563   4.663  -1.800
   82    HD1  HIS  10           HD1      HIS  10   5.216   8.159  -1.368
   83    HD2  HIS  10           HD2      HIS  10   5.489   5.134  -4.160
   84    HE1  HIS  10           HE1      HIS  10   4.071   9.033  -3.354
   85    H    TYR  11           H        TYR  11   5.315   2.724  -0.613
   86    HA   TYR  11           HA       TYR  11   2.791   2.572  -1.862
   87    HB2  TYR  11           HB2      TYR  11   4.680   0.509  -0.864
   88    HB3  TYR  11           HB3      TYR  11   3.043   0.045  -1.300
   89    HD1  TYR  11           HD1      TYR  11   6.047   1.760  -2.652
   90    HD2  TYR  11           HD2      TYR  11   2.506  -0.405  -3.475
   91    HE1  TYR  11           HE1      TYR  11   6.721   1.593  -5.001
   92    HE2  TYR  11           HE2      TYR  11   3.164  -0.599  -5.851
   93    HH   TYR  11           HH       TYR  11   4.613   0.473  -7.452
   94    H    ALA  12           H        ALA  12   3.821   2.029   1.463
   95    HA   ALA  12           HA       ALA  12   1.476   0.933   2.466
   96    HB1  ALA  12           HB1      ALA  12   3.308   2.898   3.857
   97    HB2  ALA  12           HB2      ALA  12   3.544   1.154   3.779
   98    HB3  ALA  12           HB3      ALA  12   2.153   1.817   4.641
   99    H    GLY  13           H        GLY  13   2.358   4.296   2.001
  100    HA2  GLY  13           HA2      GLY  13   0.018   5.455   3.026
  101    HA3  GLY  13           HA3      GLY  13   1.074   6.185   1.830
  102    H    LYS  14           H        LYS  14   0.833   4.434  -0.259
  103    HA   LYS  14           HA       LYS  14  -1.675   5.421  -1.249
  104    HB2  LYS  14           HB2      LYS  14   0.564   3.952  -2.596
  105    HB3  LYS  14           HB3      LYS  14  -0.993   4.045  -3.384
  106    HG2  LYS  14           HG2      LYS  14   0.269   5.757  -4.364
  107    HG3  LYS  14           HG3      LYS  14  -0.731   6.599  -3.190
  108    HD2  LYS  14           HD2      LYS  14   2.095   5.744  -2.597
  109    HD3  LYS  14           HD3      LYS  14   1.750   7.253  -3.426
  110    HE2  LYS  14           HE2      LYS  14   0.759   6.495  -0.668
  111    HE3  LYS  14           HE3      LYS  14   2.139   7.530  -1.003
  112    HZ1  LYS  14           HZ1      LYS  14  -0.643   8.119  -1.823
  113    HZ2  LYS  14           HZ2      LYS  14   0.695   9.145  -1.976
  114    HZ3  LYS  14           HZ3      LYS  14   0.120   8.738  -0.471
  115    H    ALA  15           H        ALA  15  -0.415   2.300  -0.355
  116    HA   ALA  15           HA       ALA  15  -2.550   0.823  -1.418
  117    HB1  ALA  15           HB1      ALA  15  -0.636   0.029   0.785
  118    HB2  ALA  15           HB2      ALA  15  -0.396  -0.242  -0.939
  119    HB3  ALA  15           HB3      ALA  15  -1.726  -1.044  -0.089
  120    H    THR  16           H        THR  16  -2.013   2.370   1.656
  121    HA   THR  16           HA       THR  16  -4.281   1.090   2.826
  122    HB   THR  16           HB       THR  16  -2.928   3.594   3.854
  123    HG1  THR  16           HG1      THR  16  -1.364   2.031   3.761
  124   HG21  THR  16          HG21      THR  16  -3.801   2.795   6.027
  125   HG22  THR  16          HG22      THR  16  -4.513   1.407   5.190
  126   HG23  THR  16          HG23      THR  16  -5.113   3.030   4.858
  127    H    ILE  17           H        ILE  17  -3.761   4.220   1.236
  128    HA   ILE  17           HA       ILE  17  -6.499   4.846   1.758
  129    HB   ILE  17           HB       ILE  17  -5.013   6.740   1.615
  130   HG12  ILE  17          HG12      ILE  17  -6.937   6.693  -0.716
  131   HG13  ILE  17          HG13      ILE  17  -7.333   7.093   0.950
  132   HG21  ILE  17          HG21      ILE  17  -4.490   5.977  -1.254
  133   HG22  ILE  17          HG22      ILE  17  -3.344   5.890   0.083
  134   HG23  ILE  17          HG23      ILE  17  -3.942   7.457  -0.467
  135   HD11  ILE  17          HD11      ILE  17  -5.893   9.080   0.786
  136   HD12  ILE  17          HD12      ILE  17  -7.194   9.084  -0.395
  137   HD13  ILE  17          HD13      ILE  17  -5.554   8.670  -0.895
  138    H    PHE  18           H        PHE  18  -4.806   3.929  -1.235
  139    HA   PHE  18           HA       PHE  18  -7.320   3.816  -2.594
  140    HB2  PHE  18           HB2      PHE  18  -4.563   3.102  -3.532
  141    HB3  PHE  18           HB3      PHE  18  -6.020   3.107  -4.542
  142    HD1  PHE  18           HD1      PHE  18  -7.420   5.369  -4.215
  143    HD2  PHE  18           HD2      PHE  18  -3.245   4.935  -3.713
  144    HE1  PHE  18           HE1      PHE  18  -7.136   7.786  -4.660
  145    HE2  PHE  18           HE2      PHE  18  -2.928   7.344  -4.148
  146    HZ   PHE  18           HZ       PHE  18  -4.882   8.774  -4.621
  147    H    GLY  19           H        GLY  19  -4.801   1.385  -2.068
  148    HA2  GLY  19           HA2      GLY  19  -6.159  -0.851  -2.980
  149    HA3  GLY  19           HA3      GLY  19  -4.875  -0.872  -1.785
  150    H    LEU  20           H        LEU  20  -5.925   0.285   0.342
  151    HA   LEU  20           HA       LEU  20  -7.592  -1.736   1.365
  152    HB2  LEU  20           HB2      LEU  20  -6.050   0.148   2.483
  153    HB3  LEU  20           HB3      LEU  20  -7.635   0.838   2.769
  154    HG   LEU  20           HG       LEU  20  -8.211  -1.510   3.659
  155   HD11  LEU  20          HD11      LEU  20  -5.227  -1.501   3.945
  156   HD12  LEU  20          HD12      LEU  20  -6.165  -2.560   2.895
  157   HD13  LEU  20          HD13      LEU  20  -6.324  -2.696   4.650
  158   HD21  LEU  20          HD21      LEU  20  -7.468  -0.873   5.884
  159   HD22  LEU  20          HD22      LEU  20  -8.197   0.472   5.001
  160   HD23  LEU  20          HD23      LEU  20  -6.437   0.390   5.189
  161    H    ALA  21           H        ALA  21  -8.358   1.412  -0.102
  162    HA   ALA  21           HA       ALA  21 -11.040   1.528   0.798
  163    HB1  ALA  21           HB1      ALA  21 -11.365   3.157  -0.998
  164    HB2  ALA  21           HB2      ALA  21  -9.797   2.704  -1.678
  165    HB3  ALA  21           HB3      ALA  21  -9.875   3.488  -0.110
  166    H    ALA  22           H        ALA  22  -9.405  -0.164  -1.703
  167    HA   ALA  22           HA       ALA  22 -11.668  -0.824  -3.242
  168    HB1  ALA  22           HB1      ALA  22  -9.387  -1.057  -4.111
  169    HB2  ALA  22           HB2      ALA  22 -10.294  -2.563  -4.238
  170    HB3  ALA  22           HB3      ALA  22  -9.085  -2.370  -2.971
  171    H    TRP  23           H        TRP  23 -10.246  -2.117  -0.354
  172    HA   TRP  23           HA       TRP  23 -12.056  -4.379  -0.446
  173    HB2  TRP  23           HB2      TRP  23  -9.474  -4.126   0.578
  174    HB3  TRP  23           HB3      TRP  23 -10.509  -4.118   1.982
  175    HD1  TRP  23           HD1      TRP  23 -10.426  -6.507   2.922
  176    HE1  TRP  23           HE1      TRP  23 -10.958  -8.857   1.965
  177    HE3  TRP  23           HE3      TRP  23 -11.053  -5.279  -2.012
  178    HZ2  TRP  23           HZ2      TRP  23 -11.574 -10.004  -0.541
  179    HZ3  TRP  23           HZ3      TRP  23 -11.624  -7.011  -3.602
  180    HH2  TRP  23           HH2      TRP  23 -11.880  -9.348  -2.894
  181    H    ALA  24           H        ALA  24 -11.534  -1.503   1.458
  182    HA   ALA  24           HA       ALA  24 -13.691  -2.086   3.224
  183    HB1  ALA  24           HB1      ALA  24 -11.788  -0.720   3.935
  184    HB2  ALA  24           HB2      ALA  24 -13.302   0.147   4.140
  185    HB3  ALA  24           HB3      ALA  24 -12.246   0.519   2.773
  186    H    LEU  25           H        LEU  25 -13.299   0.424   0.723
  187    HA   LEU  25           HA       LEU  25 -16.067   1.145   0.922
  188    HB2  LEU  25           HB2      LEU  25 -13.784   2.257  -0.676
  189    HB3  LEU  25           HB3      LEU  25 -15.428   2.801  -0.918
  190    HG   LEU  25           HG       LEU  25 -15.444   3.538   1.494
  191   HD11  LEU  25          HD11      LEU  25 -13.644   2.148   2.360
  192   HD12  LEU  25          HD12      LEU  25 -13.323   3.859   2.639
  193   HD13  LEU  25          HD13      LEU  25 -12.482   3.006   1.347
  194   HD21  LEU  25          HD21      LEU  25 -13.379   4.770  -0.311
  195   HD22  LEU  25          HD22      LEU  25 -14.105   5.548   1.092
  196   HD23  LEU  25          HD23      LEU  25 -15.110   5.109  -0.292
  197    H    LEU  26           H        LEU  26 -14.131  -0.725  -1.311
  198    HA   LEU  26           HA       LEU  26 -16.212  -0.554  -3.349
  199    HB2  LEU  26           HB2      LEU  26 -13.943  -0.102  -4.043
  200    HB3  LEU  26           HB3      LEU  26 -13.437  -1.643  -3.387
  201    HG   LEU  26           HG       LEU  26 -14.941  -2.726  -5.058
  202   HD11  LEU  26          HD11      LEU  26 -15.444  -1.476  -7.103
  203   HD12  LEU  26          HD12      LEU  26 -14.890   0.002  -6.320
  204   HD13  LEU  26          HD13      LEU  26 -16.298  -0.860  -5.690
  205   HD21  LEU  26          HD21      LEU  26 -13.271  -2.551  -6.879
  206   HD22  LEU  26          HD22      LEU  26 -12.570  -2.829  -5.293
  207   HD23  LEU  26          HD23      LEU  26 -12.511  -1.212  -6.007
  208    H    ALA  27           H        ALA  27 -15.213  -2.654  -0.966
  209    HA   ALA  27           HA       ALA  27 -16.381  -4.926  -2.415
  210    HB1  ALA  27           HB1      ALA  27 -13.980  -5.146  -1.862
  211    HB2  ALA  27           HB2      ALA  27 -14.981  -6.425  -1.191
  212    HB3  ALA  27           HB3      ALA  27 -14.411  -5.113  -0.154
  Start of MODEL   12
    1    H1   ARG   1           HT1      ARG   1 -10.867  -8.317   4.020
    2    H2   ARG   1           HT2      ARG   1 -12.106  -7.481   4.815
    3    H3   ARG   1           HT3      ARG   1 -11.135  -6.684   3.705
    4    HA   ARG   1           HA       ARG   1 -11.948  -7.939   1.913
    5    HB2  ARG   1           HB2      ARG   1 -13.714  -9.256   3.988
    6    HB3  ARG   1           HB3      ARG   1 -13.906  -9.430   2.255
    7    HG2  ARG   1           HG2      ARG   1 -11.788 -10.555   2.091
    8    HG3  ARG   1           HG3      ARG   1 -11.479 -10.257   3.810
    9    HD2  ARG   1           HD2      ARG   1 -13.833 -11.809   2.767
   10    HD3  ARG   1           HD3      ARG   1 -12.332 -12.561   3.305
   11    HE   ARG   1           HE       ARG   1 -12.838 -11.349   5.483
   12   HH11  ARG   1          HH11      ARG   1 -15.440 -12.456   3.347
   13   HH12  ARG   1          HH12      ARG   1 -16.525 -12.741   4.628
   14   HH21  ARG   1          HH21      ARG   1 -14.269 -11.799   7.159
   15   HH22  ARG   1          HH22      ARG   1 -15.859 -12.331   6.903
   16    H    ASN   2           H        ASN   2 -12.324  -5.715   1.607
   17    HA   ASN   2           HA       ASN   2 -15.108  -5.047   1.640
   18    HB2  ASN   2           HB2      ASN   2 -14.300  -4.352   3.933
   19    HB3  ASN   2           HB3      ASN   2 -13.134  -3.302   3.152
   20   HD21  ASN   2          HD21      ASN   2 -15.390  -2.801   4.989
   21   HD22  ASN   2          HD22      ASN   2 -16.325  -1.569   4.242
   22    H    LYS   3           H        LYS   3 -15.416  -4.118  -0.313
   23    HA   LYS   3           HA       LYS   3 -13.050  -3.070  -1.647
   24    HB2  LYS   3           HB2      LYS   3 -14.651  -4.729  -2.758
   25    HB3  LYS   3           HB3      LYS   3 -15.791  -3.396  -2.852
   26    HG2  LYS   3           HG2      LYS   3 -13.622  -2.211  -3.901
   27    HG3  LYS   3           HG3      LYS   3 -13.309  -3.883  -4.368
   28    HD2  LYS   3           HD2      LYS   3 -14.521  -2.865  -6.144
   29    HD3  LYS   3           HD3      LYS   3 -15.635  -3.938  -5.284
   30    HE2  LYS   3           HE2      LYS   3 -16.575  -2.063  -4.079
   31    HE3  LYS   3           HE3      LYS   3 -15.387  -0.997  -4.780
   32    HZ1  LYS   3           HZ1      LYS   3 -17.514  -2.442  -6.261
   33    HZ2  LYS   3           HZ2      LYS   3 -16.300  -1.569  -6.984
   34    HZ3  LYS   3           HZ3      LYS   3 -17.427  -0.766  -6.027
   35    H    LEU   4           H        LEU   4 -12.770  -1.081  -0.938
   36    HA   LEU   4           HA       LEU   4 -14.956   0.875  -1.115
   37    HB2  LEU   4           HB2      LEU   4 -14.944  -0.147   1.016
   38    HB3  LEU   4           HB3      LEU   4 -13.264   0.282   1.312
   39    HG   LEU   4           HG       LEU   4 -14.189   2.728   0.996
   40   HD11  LEU   4          HD11      LEU   4 -16.489   2.987   1.748
   41   HD12  LEU   4          HD12      LEU   4 -16.685   1.232   1.738
   42   HD13  LEU   4          HD13      LEU   4 -16.373   2.092   0.234
   43   HD21  LEU   4          HD21      LEU   4 -14.725   1.075   3.450
   44   HD22  LEU   4          HD22      LEU   4 -14.673   2.838   3.412
   45   HD23  LEU   4          HD23      LEU   4 -13.221   1.900   3.058
   46    H    ALA   5           H        ALA   5 -14.135   3.067  -1.055
   47    HA   ALA   5           HA       ALA   5 -11.811   3.449  -2.551
   48    HB1  ALA   5           HB1      ALA   5 -13.297   5.455  -0.867
   49    HB2  ALA   5           HB2      ALA   5 -13.699   5.011  -2.518
   50    HB3  ALA   5           HB3      ALA   5 -12.175   5.841  -2.181
   51    H    TYR   6           H        TYR   6 -12.392   3.595   0.848
   52    HA   TYR   6           HA       TYR   6  -9.749   4.552   1.436
   53    HB2  TYR   6           HB2      TYR   6 -11.874   3.474   3.275
   54    HB3  TYR   6           HB3      TYR   6 -10.302   4.037   3.817
   55    HD1  TYR   6           HD1      TYR   6 -13.534   5.092   2.424
   56    HD2  TYR   6           HD2      TYR   6  -9.706   6.335   3.808
   57    HE1  TYR   6           HE1      TYR   6 -14.325   7.408   2.527
   58    HE2  TYR   6           HE2      TYR   6 -10.482   8.643   3.916
   59    HH   TYR   6           HH       TYR   6 -13.803   9.477   3.639
   60    H    ASN   7           H        ASN   7 -11.234   1.496   1.151
   61    HA   ASN   7           HA       ASN   7  -9.067   0.155   2.481
   62    HB2  ASN   7           HB2      ASN   7 -11.442  -0.757   2.365
   63    HB3  ASN   7           HB3      ASN   7 -11.104  -1.167   0.690
   64   HD21  ASN   7          HD21      ASN   7  -8.260  -1.980   1.331
   65   HD22  ASN   7          HD22      ASN   7  -8.422  -3.496   2.122
   66    H    MET   8           H        MET   8 -10.135   0.416  -0.880
   67    HA   MET   8           HA       MET   8  -7.663  -0.772  -1.715
   68    HB2  MET   8           HB2      MET   8  -9.754  -1.124  -3.016
   69    HB3  MET   8           HB3      MET   8  -9.714   0.570  -3.465
   70    HG2  MET   8           HG2      MET   8  -8.762  -0.365  -5.320
   71    HG3  MET   8           HG3      MET   8  -7.335  -0.011  -4.359
   72    HE1  MET   8           HE1      MET   8  -5.935  -1.882  -3.005
   73    HE2  MET   8           HE2      MET   8  -6.257  -3.606  -3.131
   74    HE3  MET   8           HE3      MET   8  -7.335  -2.594  -2.178
   75    H    GLY   9           H        GLY   9  -9.029   2.485  -2.325
   76    HA2  GLY   9           HA2      GLY   9  -6.654   3.429  -3.558
   77    HA3  GLY   9           HA3      GLY   9  -8.045   4.377  -3.081
   78    H    HIS  10           H        HIS  10  -8.004   3.984  -0.340
   79    HA   HIS  10           HA       HIS  10  -6.003   5.936   0.375
   80    HB2  HIS  10           HB2      HIS  10  -8.205   5.755   1.529
   81    HB3  HIS  10           HB3      HIS  10  -7.667   4.242   2.253
   82    HD1  HIS  10           HD1      HIS  10  -6.457   7.826   2.074
   83    HD2  HIS  10           HD2      HIS  10  -6.668   4.632   4.696
   84    HE1  HIS  10           HE1      HIS  10  -5.354   8.597   4.115
   85    H    TYR  11           H        TYR  11  -6.244   2.455   0.861
   86    HA   TYR  11           HA       TYR  11  -3.743   2.243   2.180
   87    HB2  TYR  11           HB2      TYR  11  -5.554   0.331   0.857
   88    HB3  TYR  11           HB3      TYR  11  -3.906  -0.183   1.184
   89    HD1  TYR  11           HD1      TYR  11  -3.147  -0.490   3.427
   90    HD2  TYR  11           HD2      TYR  11  -7.121   0.728   2.653
   91    HE1  TYR  11           HE1      TYR  11  -3.726  -1.078   5.692
   92    HE2  TYR  11           HE2      TYR  11  -7.758   0.144   4.969
   93    HH   TYR  11           HH       TYR  11  -5.484  -0.501   7.369
   94    H    ALA  12           H        ALA  12  -4.680   2.139  -1.223
   95    HA   ALA  12           HA       ALA  12  -2.293   1.212  -2.286
   96    HB1  ALA  12           HB1      ALA  12  -2.955   2.286  -4.363
   97    HB2  ALA  12           HB2      ALA  12  -4.128   3.279  -3.488
   98    HB3  ALA  12           HB3      ALA  12  -4.357   1.536  -3.590
   99    H    GLY  13           H        GLY  13  -3.189   4.480  -1.360
  100    HA2  GLY  13           HA2      GLY  13  -0.862   5.763  -2.294
  101    HA3  GLY  13           HA3      GLY  13  -1.887   6.340  -0.983
  102    H    LYS  14           H        LYS  14  -1.598   4.222   0.794
  103    HA   LYS  14           HA       LYS  14   0.925   4.950   1.955
  104    HB2  LYS  14           HB2      LYS  14  -1.346   3.218   2.875
  105    HB3  LYS  14           HB3      LYS  14   0.185   3.178   3.721
  106    HG2  LYS  14           HG2      LYS  14  -1.346   4.669   4.842
  107    HG3  LYS  14           HG3      LYS  14  -0.017   5.597   4.153
  108    HD2  LYS  14           HD2      LYS  14  -1.460   6.254   2.288
  109    HD3  LYS  14           HD3      LYS  14  -2.785   5.322   2.969
  110    HE2  LYS  14           HE2      LYS  14  -1.395   7.638   4.298
  111    HE3  LYS  14           HE3      LYS  14  -2.979   7.704   3.523
  112    HZ1  LYS  14           HZ1      LYS  14  -2.263   6.062   5.886
  113    HZ2  LYS  14           HZ2      LYS  14  -3.785   6.129   5.197
  114    HZ3  LYS  14           HZ3      LYS  14  -3.121   7.499   5.928
  115    H    ALA  15           H        ALA  15  -0.393   2.075   0.497
  116    HA   ALA  15           HA       ALA  15   1.804   0.413   1.109
  117    HB1  ALA  15           HB1      ALA  15   0.871  -1.135  -0.480
  118    HB2  ALA  15           HB2      ALA  15  -0.251   0.096  -1.072
  119    HB3  ALA  15           HB3      ALA  15  -0.388  -0.510   0.587
  120    H    THR  16           H        THR  16   1.178   2.602  -1.524
  121    HA   THR  16           HA       THR  16   3.345   1.578  -3.046
  122    HB   THR  16           HB       THR  16   2.085   4.318  -3.370
  123    HG1  THR  16           HG1      THR  16   0.489   2.730  -3.610
  124   HG21  THR  16          HG21      THR  16   4.220   4.018  -4.543
  125   HG22  THR  16          HG22      THR  16   2.889   4.097  -5.705
  126   HG23  THR  16          HG23      THR  16   3.616   2.542  -5.287
  127    H    ILE  17           H        ILE  17   3.024   4.241  -0.709
  128    HA   ILE  17           HA       ILE  17   5.777   4.872  -1.174
  129    HB   ILE  17           HB       ILE  17   4.376   6.735  -0.540
  130   HG12  ILE  17          HG12      ILE  17   5.699   7.696   1.356
  131   HG13  ILE  17          HG13      ILE  17   6.394   6.101   1.615
  132   HG21  ILE  17          HG21      ILE  17   3.423   7.018   1.709
  133   HG22  ILE  17          HG22      ILE  17   3.889   5.355   2.085
  134   HG23  ILE  17          HG23      ILE  17   2.706   5.674   0.818
  135   HD11  ILE  17          HD11      ILE  17   6.667   7.754  -0.890
  136   HD12  ILE  17          HD12      ILE  17   7.399   6.174  -0.601
  137   HD13  ILE  17          HD13      ILE  17   7.890   7.569   0.365
  138    H    PHE  18           H        PHE  18   4.089   3.355   1.566
  139    HA   PHE  18           HA       PHE  18   6.585   2.785   2.844
  140    HB2  PHE  18           HB2      PHE  18   3.787   1.978   3.598
  141    HB3  PHE  18           HB3      PHE  18   5.231   1.685   4.561
  142    HD1  PHE  18           HD1      PHE  18   6.743   4.001   4.560
  143    HD2  PHE  18           HD2      PHE  18   2.506   3.686   4.468
  144    HE1  PHE  18           HE1      PHE  18   6.558   6.247   5.584
  145    HE2  PHE  18           HE2      PHE  18   2.306   5.919   5.487
  146    HZ   PHE  18           HZ       PHE  18   4.344   7.205   6.037
  147    H    GLY  19           H        GLY  19   4.039   0.806   1.439
  148    HA2  GLY  19           HA2      GLY  19   5.229  -1.722   1.956
  149    HA3  GLY  19           HA3      GLY  19   3.997  -1.366   0.748
  150    H    LEU  20           H        LEU  20   5.050   0.142  -1.006
  151    HA   LEU  20           HA       LEU  20   6.639  -1.561  -2.525
  152    HB2  LEU  20           HB2      LEU  20   5.206   0.592  -3.086
  153    HB3  LEU  20           HB3      LEU  20   6.805   1.317  -3.098
  154    HG   LEU  20           HG       LEU  20   7.442  -0.588  -4.652
  155   HD11  LEU  20          HD11      LEU  20   5.593  -1.501  -5.963
  156   HD12  LEU  20          HD12      LEU  20   4.463  -0.589  -4.957
  157   HD13  LEU  20          HD13      LEU  20   5.404  -1.895  -4.239
  158   HD21  LEU  20          HD21      LEU  20   6.677   0.680  -6.592
  159   HD22  LEU  20          HD22      LEU  20   7.278   1.748  -5.317
  160   HD23  LEU  20          HD23      LEU  20   5.539   1.558  -5.564
  161    H    ALA  21           H        ALA  21   7.581   1.027  -0.284
  162    HA   ALA  21           HA       ALA  21  10.233   1.298  -1.084
  163    HB1  ALA  21           HB1      ALA  21   9.043   1.605   1.676
  164    HB2  ALA  21           HB2      ALA  21   9.166   2.875   0.459
  165    HB3  ALA  21           HB3      ALA  21  10.625   2.184   1.171
  166    H    ALA  22           H        ALA  22   8.616  -1.200   0.697
  167    HA   ALA  22           HA       ALA  22  10.943  -2.297   1.880
  168    HB1  ALA  22           HB1      ALA  22   8.319  -3.639   1.246
  169    HB2  ALA  22           HB2      ALA  22   8.721  -2.804   2.754
  170    HB3  ALA  22           HB3      ALA  22   9.579  -4.282   2.305
  171    H    TRP  23           H        TRP  23   9.429  -2.586  -1.221
  172    HA   TRP  23           HA       TRP  23  11.173  -4.790  -1.909
  173    HB2  TRP  23           HB2      TRP  23   8.622  -4.074  -2.717
  174    HB3  TRP  23           HB3      TRP  23   9.636  -3.709  -4.100
  175    HD1  TRP  23           HD1      TRP  23   9.469  -5.706  -5.693
  176    HE1  TRP  23           HE1      TRP  23   9.613  -8.284  -5.455
  177    HE3  TRP  23           HE3      TRP  23   9.915  -6.023  -0.628
  178    HZ2  TRP  23           HZ2      TRP  23   9.908 -10.163  -3.385
  179    HZ3  TRP  23           HZ3      TRP  23  10.140  -8.202   0.413
  180    HH2  TRP  23           HH2      TRP  23  10.143 -10.260  -0.939
  181    H    ALA  24           H        ALA  24  10.693  -1.425  -2.715
  182    HA   ALA  24           HA       ALA  24  12.791  -1.423  -4.638
  183    HB1  ALA  24           HB1      ALA  24  12.462   0.959  -4.751
  184    HB2  ALA  24           HB2      ALA  24  11.499   0.926  -3.274
  185    HB3  ALA  24           HB3      ALA  24  10.898   0.143  -4.734
  186    H    LEU  25           H        LEU  25  12.529   0.107  -1.450
  187    HA   LEU  25           HA       LEU  25  15.313   0.817  -1.442
  188    HB2  LEU  25           HB2      LEU  25  13.096   1.207   0.537
  189    HB3  LEU  25           HB3      LEU  25  14.737   1.826   0.776
  190    HG   LEU  25           HG       LEU  25  12.774   2.592  -1.386
  191   HD11  LEU  25          HD11      LEU  25  13.785   4.109   1.009
  192   HD12  LEU  25          HD12      LEU  25  12.153   3.494   0.777
  193   HD13  LEU  25          HD13      LEU  25  12.768   4.779  -0.259
  194   HD21  LEU  25          HD21      LEU  25  14.413   4.354  -1.963
  195   HD22  LEU  25          HD22      LEU  25  15.015   2.734  -2.270
  196   HD23  LEU  25          HD23      LEU  25  15.555   3.620  -0.838
  197    H    LEU  26           H        LEU  26  13.325  -1.628   0.156
  198    HA   LEU  26           HA       LEU  26  15.437  -2.210   2.062
  199    HB2  LEU  26           HB2      LEU  26  13.135  -2.016   2.821
  200    HB3  LEU  26           HB3      LEU  26  12.668  -3.309   1.736
  201    HG   LEU  26           HG       LEU  26  14.202  -4.773   3.022
  202   HD11  LEU  26          HD11      LEU  26  15.489  -3.091   4.148
  203   HD12  LEU  26          HD12      LEU  26  14.679  -4.119   5.347
  204   HD13  LEU  26          HD13      LEU  26  14.065  -2.503   5.006
  205   HD21  LEU  26          HD21      LEU  26  11.747  -3.651   4.385
  206   HD22  LEU  26          HD22      LEU  26  12.516  -5.185   4.783
  207   HD23  LEU  26          HD23      LEU  26  11.800  -4.953   3.193
  208    H    ALA  27           H        ALA  27  14.445  -3.349  -0.902
  209    HA   ALA  27           HA       ALA  27  15.667  -5.960  -0.379
  210    HB1  ALA  27           HB1      ALA  27  13.385  -6.073  -1.265
  211    HB2  ALA  27           HB2      ALA  27  14.531  -6.804  -2.382
  212    HB3  ALA  27           HB3      ALA  27  13.888  -5.195  -2.703
  Start of MODEL   13
    1    H1   ARG   1           HT1      ARG   1 -13.537  -9.703   1.942
    2    H2   ARG   1           HT2      ARG   1 -12.458  -8.549   2.395
    3    H3   ARG   1           HT3      ARG   1 -11.875 -10.087   2.137
    4    HA   ARG   1           HA       ARG   1 -11.257  -8.662   0.343
    5    HB2  ARG   1           HB2      ARG   1 -13.677 -10.231  -0.680
    6    HB3  ARG   1           HB3      ARG   1 -12.327  -9.660  -1.637
    7    HG2  ARG   1           HG2      ARG   1 -11.949 -11.959  -1.398
    8    HG3  ARG   1           HG3      ARG   1 -10.881 -11.219  -0.206
    9    HD2  ARG   1           HD2      ARG   1 -12.819 -11.500   1.404
   10    HD3  ARG   1           HD3      ARG   1 -13.487 -12.648   0.242
   11    HE   ARG   1           HE       ARG   1 -11.030 -13.589   0.613
   12   HH11  ARG   1          HH11      ARG   1 -13.537 -12.541   2.895
   13   HH12  ARG   1          HH12      ARG   1 -12.934 -13.434   4.201
   14   HH21  ARG   1          HH21      ARG   1 -10.202 -14.833   2.388
   15   HH22  ARG   1          HH22      ARG   1 -10.946 -14.758   3.909
   16    H    ASN   2           H        ASN   2 -11.596  -6.552   0.090
   17    HA   ASN   2           HA       ASN   2 -14.372  -5.687  -0.260
   18    HB2  ASN   2           HB2      ASN   2 -12.368  -4.220   1.482
   19    HB3  ASN   2           HB3      ASN   2 -14.019  -3.724   1.149
   20   HD21  ASN   2          HD21      ASN   2 -15.729  -4.928   2.110
   21   HD22  ASN   2          HD22      ASN   2 -15.425  -5.922   3.500
   22    H    LYS   3           H        LYS   3 -14.207  -5.242  -2.388
   23    HA   LYS   3           HA       LYS   3 -12.054  -3.607  -3.367
   24    HB2  LYS   3           HB2      LYS   3 -13.245  -5.254  -4.809
   25    HB3  LYS   3           HB3      LYS   3 -14.707  -4.291  -4.667
   26    HG2  LYS   3           HG2      LYS   3 -12.929  -2.426  -5.527
   27    HG3  LYS   3           HG3      LYS   3 -12.303  -3.866  -6.322
   28    HD2  LYS   3           HD2      LYS   3 -13.858  -2.863  -7.814
   29    HD3  LYS   3           HD3      LYS   3 -14.639  -4.302  -7.153
   30    HE2  LYS   3           HE2      LYS   3 -15.763  -2.852  -5.457
   31    HE3  LYS   3           HE3      LYS   3 -15.059  -1.461  -6.251
   32    HZ1  LYS   3           HZ1      LYS   3 -17.320  -1.849  -6.958
   33    HZ2  LYS   3           HZ2      LYS   3 -16.923  -3.388  -7.502
   34    HZ3  LYS   3           HZ3      LYS   3 -16.290  -2.025  -8.270
   35    H    LEU   4           H        LEU   4 -12.036  -1.690  -2.480
   36    HA   LEU   4           HA       LEU   4 -14.314   0.090  -2.768
   37    HB2  LEU   4           HB2      LEU   4 -14.550  -0.929  -0.516
   38    HB3  LEU   4           HB3      LEU   4 -12.923  -0.408  -0.131
   39    HG   LEU   4           HG       LEU   4 -13.693   1.950  -0.393
   40   HD11  LEU   4          HD11      LEU   4 -16.095   2.414  -0.335
   41   HD12  LEU   4          HD12      LEU   4 -16.412   0.691  -0.583
   42   HD13  LEU   4          HD13      LEU   4 -15.595   1.625  -1.831
   43   HD21  LEU   4          HD21      LEU   4 -14.931   2.017   1.739
   44   HD22  LEU   4          HD22      LEU   4 -13.506   0.993   1.809
   45   HD23  LEU   4          HD23      LEU   4 -15.104   0.266   1.671
   46    H    ALA   5           H        ALA   5 -13.655   2.235  -2.736
   47    HA   ALA   5           HA       ALA   5 -11.201   2.890  -3.786
   48    HB1  ALA   5           HB1      ALA   5 -13.177   4.323  -3.945
   49    HB2  ALA   5           HB2      ALA   5 -11.801   5.220  -3.319
   50    HB3  ALA   5           HB3      ALA   5 -13.066   4.667  -2.222
   51    H    TYR   6           H        TYR   6 -12.271   3.162  -0.508
   52    HA   TYR   6           HA       TYR   6  -9.830   4.172   0.487
   53    HB2  TYR   6           HB2      TYR   6 -12.132   2.913   1.903
   54    HB3  TYR   6           HB3      TYR   6 -10.719   3.536   2.756
   55    HD1  TYR   6           HD1      TYR   6 -10.161   5.936   2.599
   56    HD2  TYR   6           HD2      TYR   6 -13.816   4.390   1.090
   57    HE1  TYR   6           HE1      TYR   6 -11.084   8.209   2.549
   58    HE2  TYR   6           HE2      TYR   6 -14.760   6.664   1.040
   59    HH   TYR   6           HH       TYR   6 -14.378   8.850   2.120
   60    H    ASN   7           H        ASN   7 -10.912   0.948  -0.020
   61    HA   ASN   7           HA       ASN   7  -8.761  -0.120   1.575
   62    HB2  ASN   7           HB2      ASN   7 -10.843  -1.472   1.275
   63    HB3  ASN   7           HB3      ASN   7 -10.428  -1.655  -0.433
   64   HD21  ASN   7          HD21      ASN   7 -10.213  -3.894  -0.261
   65   HD22  ASN   7          HD22      ASN   7  -8.860  -4.625   0.546
   66    H    MET   8           H        MET   8  -9.518  -0.037  -1.852
   67    HA   MET   8           HA       MET   8  -6.923  -1.046  -2.463
   68    HB2  MET   8           HB2      MET   8  -9.143  -0.145  -4.266
   69    HB3  MET   8           HB3      MET   8  -7.597  -0.735  -4.849
   70    HG2  MET   8           HG2      MET   8  -9.343  -2.370  -3.037
   71    HG3  MET   8           HG3      MET   8  -9.565  -2.367  -4.775
   72    HE1  MET   8           HE1      MET   8  -6.032  -4.343  -2.489
   73    HE2  MET   8           HE2      MET   8  -7.279  -3.349  -1.733
   74    HE3  MET   8           HE3      MET   8  -5.943  -2.610  -2.635
   75    H    GLY   9           H        GLY   9  -8.508   2.051  -3.271
   76    HA2  GLY   9           HA2      GLY   9  -6.125   3.038  -4.460
   77    HA3  GLY   9           HA3      GLY   9  -7.578   3.959  -4.103
   78    H    HIS  10           H        HIS  10  -7.672   3.556  -1.317
   79    HA   HIS  10           HA       HIS  10  -5.831   5.610  -0.558
   80    HB2  HIS  10           HB2      HIS  10  -8.075   5.382   0.414
   81    HB3  HIS  10           HB3      HIS  10  -7.578   3.899   1.223
   82    HD1  HIS  10           HD1      HIS  10  -5.953   7.309   0.999
   83    HD2  HIS  10           HD2      HIS  10  -7.218   4.532   3.791
   84    HE1  HIS  10           HE1      HIS  10  -5.238   8.205   3.183
   85    H    TYR  11           H        TYR  11  -5.847   2.116   0.149
   86    HA   TYR  11           HA       TYR  11  -3.402   2.308   1.634
   87    HB2  TYR  11           HB2      TYR  11  -4.856  -0.005   0.466
   88    HB3  TYR  11           HB3      TYR  11  -3.284  -0.214   1.204
   89    HD1  TYR  11           HD1      TYR  11  -2.999  -0.106   3.595
   90    HD2  TYR  11           HD2      TYR  11  -6.807   0.566   1.863
   91    HE1  TYR  11           HE1      TYR  11  -4.049  -0.371   5.811
   92    HE2  TYR  11           HE2      TYR  11  -7.872   0.309   4.077
   93    HH   TYR  11           HH       TYR  11  -6.094   0.305   6.938
   94    H    ALA  12           H        ALA  12  -4.163   1.846  -1.746
   95    HA   ALA  12           HA       ALA  12  -1.800   0.684  -2.640
   96    HB1  ALA  12           HB1      ALA  12  -3.765   0.997  -4.073
   97    HB2  ALA  12           HB2      ALA  12  -2.292   1.600  -4.828
   98    HB3  ALA  12           HB3      ALA  12  -3.445   2.730  -4.112
   99    H    GLY  13           H        GLY  13  -2.552   4.082  -2.187
  100    HA2  GLY  13           HA2      GLY  13  -0.086   5.051  -3.145
  101    HA3  GLY  13           HA3      GLY  13  -1.156   5.909  -2.044
  102    H    LYS  14           H        LYS  14  -1.145   4.129   0.097
  103    HA   LYS  14           HA       LYS  14   1.276   5.119   1.274
  104    HB2  LYS  14           HB2      LYS  14  -1.127   3.763   2.433
  105    HB3  LYS  14           HB3      LYS  14   0.333   3.936   3.383
  106    HG2  LYS  14           HG2      LYS  14  -1.203   5.753   3.905
  107    HG3  LYS  14           HG3      LYS  14   0.224   6.371   3.089
  108    HD2  LYS  14           HD2      LYS  14  -1.008   6.457   0.993
  109    HD3  LYS  14           HD3      LYS  14  -2.453   5.854   1.799
  110    HE2  LYS  14           HE2      LYS  14  -2.522   7.839   3.210
  111    HE3  LYS  14           HE3      LYS  14  -1.009   8.403   2.497
  112    HZ1  LYS  14           HZ1      LYS  14  -2.984   9.474   1.561
  113    HZ2  LYS  14           HZ2      LYS  14  -3.501   7.998   0.949
  114    HZ3  LYS  14           HZ3      LYS  14  -2.072   8.688   0.411
  115    H    ALA  15           H        ALA  15   0.038   1.942   0.505
  116    HA   ALA  15           HA       ALA  15   2.142   0.605   1.854
  117    HB1  ALA  15           HB1      ALA  15   1.408  -1.399   0.697
  118    HB2  ALA  15           HB2      ALA  15   0.371  -0.432  -0.355
  119    HB3  ALA  15           HB3      ALA  15   0.027  -0.531   1.377
  120    H    THR  16           H        THR  16   1.749   1.817  -1.373
  121    HA   THR  16           HA       THR  16   4.054   0.474  -2.336
  122    HB   THR  16           HB       THR  16   2.657   2.828  -3.625
  123    HG1  THR  16           HG1      THR  16   1.081   1.382  -3.567
  124   HG21  THR  16          HG21      THR  16   4.843   2.242  -4.582
  125   HG22  THR  16          HG22      THR  16   3.533   1.802  -5.696
  126   HG23  THR  16          HG23      THR  16   4.329   0.563  -4.723
  127    H    ILE  17           H        ILE  17   3.426   3.775  -1.115
  128    HA   ILE  17           HA       ILE  17   6.159   4.400  -1.650
  129    HB   ILE  17           HB       ILE  17   4.576   6.272  -1.743
  130   HG12  ILE  17          HG12      ILE  17   5.794   7.925  -0.295
  131   HG13  ILE  17          HG13      ILE  17   6.608   6.570   0.467
  132   HG21  ILE  17          HG21      ILE  17   3.580   7.260   0.262
  133   HG22  ILE  17          HG22      ILE  17   4.161   5.896   1.210
  134   HG23  ILE  17          HG23      ILE  17   2.973   5.640  -0.072
  135   HD11  ILE  17          HD11      ILE  17   7.632   5.951  -1.643
  136   HD12  ILE  17          HD12      ILE  17   8.003   7.623  -1.232
  137   HD13  ILE  17          HD13      ILE  17   6.778   7.262  -2.453
  138    H    PHE  18           H        PHE  18   4.370   3.825   1.377
  139    HA   PHE  18           HA       PHE  18   6.785   3.981   2.914
  140    HB2  PHE  18           HB2      PHE  18   4.015   3.177   3.766
  141    HB3  PHE  18           HB3      PHE  18   5.381   3.513   4.835
  142    HD1  PHE  18           HD1      PHE  18   6.585   5.837   3.818
  143    HD2  PHE  18           HD2      PHE  18   2.469   4.858   3.975
  144    HE1  PHE  18           HE1      PHE  18   6.027   8.248   3.854
  145    HE2  PHE  18           HE2      PHE  18   1.887   7.260   4.006
  146    HZ   PHE  18           HZ       PHE  18   3.674   8.954   3.949
  147    H    GLY  19           H        GLY  19   4.420   1.392   2.431
  148    HA2  GLY  19           HA2      GLY  19   5.842  -0.593   3.824
  149    HA3  GLY  19           HA3      GLY  19   4.603  -0.903   2.616
  150    H    LEU  20           H        LEU  20   5.591  -0.109   0.342
  151    HA   LEU  20           HA       LEU  20   7.508  -2.031  -0.259
  152    HB2  LEU  20           HB2      LEU  20   6.184   0.033  -1.808
  153    HB3  LEU  20           HB3      LEU  20   7.794  -0.387  -2.390
  154    HG   LEU  20           HG       LEU  20   7.073  -2.738  -2.283
  155   HD11  LEU  20          HD11      LEU  20   4.670  -3.247  -2.419
  156   HD12  LEU  20          HD12      LEU  20   4.303  -1.546  -2.216
  157   HD13  LEU  20          HD13      LEU  20   5.066  -2.446  -0.892
  158   HD21  LEU  20          HD21      LEU  20   5.797  -0.863  -4.236
  159   HD22  LEU  20          HD22      LEU  20   5.923  -2.615  -4.464
  160   HD23  LEU  20          HD23      LEU  20   7.386  -1.625  -4.298
  161    H    ALA  21           H        ALA  21   7.973   1.242   0.639
  162    HA   ALA  21           HA       ALA  21  10.658   1.499  -0.150
  163    HB1  ALA  21           HB1      ALA  21   9.436   2.700   2.335
  164    HB2  ALA  21           HB2      ALA  21   9.367   3.406   0.721
  165    HB3  ALA  21           HB3      ALA  21  10.922   3.208   1.531
  166    H    ALA  22           H        ALA  22   9.264  -0.373   2.436
  167    HA   ALA  22           HA       ALA  22  11.739  -0.631   3.835
  168    HB1  ALA  22           HB1      ALA  22   9.294  -2.385   3.984
  169    HB2  ALA  22           HB2      ALA  22   9.607  -0.961   4.991
  170    HB3  ALA  22           HB3      ALA  22  10.666  -2.377   5.092
  171    H    TRP  23           H        TRP  23  10.147  -2.384   1.275
  172    HA   TRP  23           HA       TRP  23  12.232  -4.382   1.449
  173    HB2  TRP  23           HB2      TRP  23   9.571  -4.621   0.742
  174    HB3  TRP  23           HB3      TRP  23  10.427  -4.691  -0.791
  175    HD1  TRP  23           HD1      TRP  23  10.610  -7.182  -1.405
  176    HE1  TRP  23           HE1      TRP  23  11.500  -9.314  -0.209
  177    HE3  TRP  23           HE3      TRP  23  11.497  -5.232   3.244
  178    HZ2  TRP  23           HZ2      TRP  23  12.459 -10.035   2.336
  179    HZ3  TRP  23           HZ3      TRP  23  12.402  -6.678   4.974
  180    HH2  TRP  23           HH2      TRP  23  12.876  -9.029   4.549
  181    H    ALA  24           H        ALA  24  11.131  -1.942  -0.819
  182    HA   ALA  24           HA       ALA  24  13.212  -2.487  -2.664
  183    HB1  ALA  24           HB1      ALA  24  12.468  -0.484  -3.797
  184    HB2  ALA  24           HB2      ALA  24  11.549  -0.004  -2.369
  185    HB3  ALA  24           HB3      ALA  24  11.071  -1.436  -3.276
  186    H    LEU  25           H        LEU  25  12.712   0.198  -0.389
  187    HA   LEU  25           HA       LEU  25  15.282   1.322  -1.055
  188    HB2  LEU  25           HB2      LEU  25  13.158   2.595  -0.673
  189    HB3  LEU  25           HB3      LEU  25  13.357   2.271   1.016
  190    HG   LEU  25           HG       LEU  25  15.519   3.475   1.033
  191   HD11  LEU  25          HD11      LEU  25  16.157   3.192  -1.310
  192   HD12  LEU  25          HD12      LEU  25  16.111   4.898  -0.887
  193   HD13  LEU  25          HD13      LEU  25  14.785   4.182  -1.800
  194   HD21  LEU  25          HD21      LEU  25  13.455   4.642   1.660
  195   HD22  LEU  25          HD22      LEU  25  13.193   5.069  -0.031
  196   HD23  LEU  25          HD23      LEU  25  14.573   5.730   0.836
  197    H    LEU  26           H        LEU  26  13.909  -0.409   1.671
  198    HA   LEU  26           HA       LEU  26  16.184   0.223   3.353
  199    HB2  LEU  26           HB2      LEU  26  13.952   0.339   4.314
  200    HB3  LEU  26           HB3      LEU  26  13.669  -1.320   3.844
  201    HG   LEU  26           HG       LEU  26  15.470  -1.994   5.384
  202   HD11  LEU  26          HD11      LEU  26  16.116  -0.451   7.194
  203   HD12  LEU  26          HD12      LEU  26  15.251   0.837   6.375
  204   HD13  LEU  26          HD13      LEU  26  16.660   0.099   5.608
  205   HD21  LEU  26          HD21      LEU  26  13.159  -2.290   5.986
  206   HD22  LEU  26          HD22      LEU  26  13.050  -0.630   6.563
  207   HD23  LEU  26          HD23      LEU  26  14.074  -1.794   7.407
  208    H    ALA  27           H        ALA  27  15.240  -2.190   1.287
  209    HA   ALA  27           HA       ALA  27  17.005  -4.122   2.625
  210    HB1  ALA  27           HB1      ALA  27  15.967  -5.897   1.332
  211    HB2  ALA  27           HB2      ALA  27  15.037  -4.712   0.420
  212    HB3  ALA  27           HB3      ALA  27  14.726  -4.935   2.134
  Start of MODEL   14
    1    H1   ARG   1           HT1      ARG   1 -13.568  -9.934   4.358
    2    H2   ARG   1           HT2      ARG   1 -14.470  -9.687   2.930
    3    H3   ARG   1           HT3      ARG   1 -15.050  -9.124   4.399
    4    HA   ARG   1           HA       ARG   1 -13.338  -7.520   4.558
    5    HB2  ARG   1           HB2      ARG   1 -12.475  -8.714   1.911
    6    HB3  ARG   1           HB3      ARG   1 -11.902  -7.174   2.507
    7    HG2  ARG   1           HG2      ARG   1 -10.826  -8.250   4.368
    8    HG3  ARG   1           HG3      ARG   1 -11.492  -9.810   3.889
    9    HD2  ARG   1           HD2      ARG   1 -10.254  -9.752   1.824
   10    HD3  ARG   1           HD3      ARG   1  -9.639  -8.142   2.188
   11    HE   ARG   1           HE       ARG   1  -8.775  -9.490   4.289
   12   HH11  ARG   1          HH11      ARG   1  -8.713 -10.489   0.884
   13   HH12  ARG   1          HH12      ARG   1  -7.218 -11.273   0.963
   14   HH21  ARG   1          HH21      ARG   1  -6.678 -10.567   4.402
   15   HH22  ARG   1          HH22      ARG   1  -6.008 -11.316   3.035
   16    H    ASN   2           H        ASN   2 -13.325  -5.532   3.075
   17    HA   ASN   2           HA       ASN   2 -15.430  -5.541   1.108
   18    HB2  ASN   2           HB2      ASN   2 -16.554  -3.577   2.045
   19    HB3  ASN   2           HB3      ASN   2 -16.578  -4.879   3.223
   20   HD21  ASN   2          HD21      ASN   2 -15.429  -1.679   2.448
   21   HD22  ASN   2          HD22      ASN   2 -14.808  -1.326   4.018
   22    H    LYS   3           H        LYS   3 -15.419  -3.109   0.225
   23    HA   LYS   3           HA       LYS   3 -12.572  -2.406   0.015
   24    HB2  LYS   3           HB2      LYS   3 -13.630  -3.426  -2.048
   25    HB3  LYS   3           HB3      LYS   3 -14.705  -2.046  -2.091
   26    HG2  LYS   3           HG2      LYS   3 -12.482  -0.654  -2.120
   27    HG3  LYS   3           HG3      LYS   3 -11.755  -2.173  -2.647
   28    HD2  LYS   3           HD2      LYS   3 -12.317  -0.902  -4.567
   29    HD3  LYS   3           HD3      LYS   3 -13.469  -2.237  -4.455
   30    HE2  LYS   3           HE2      LYS   3 -15.093  -0.719  -3.344
   31    HE3  LYS   3           HE3      LYS   3 -13.955   0.590  -3.493
   32    HZ1  LYS   3           HZ1      LYS   3 -14.122   0.358  -5.935
   33    HZ2  LYS   3           HZ2      LYS   3 -15.596   0.695  -5.216
   34    HZ3  LYS   3           HZ3      LYS   3 -15.278  -0.856  -5.730
   35    H    LEU   4           H        LEU   4 -12.267  -0.094  -0.433
   36    HA   LEU   4           HA       LEU   4 -14.382   1.812  -0.062
   37    HB2  LEU   4           HB2      LEU   4 -13.797   0.838   2.163
   38    HB3  LEU   4           HB3      LEU   4 -12.193   1.532   2.008
   39    HG   LEU   4           HG       LEU   4 -13.340   3.772   1.797
   40   HD11  LEU   4          HD11      LEU   4 -15.576   2.992   1.289
   41   HD12  LEU   4          HD12      LEU   4 -15.578   3.961   2.769
   42   HD13  LEU   4          HD13      LEU   4 -15.670   2.205   2.869
   43   HD21  LEU   4          HD21      LEU   4 -12.163   3.102   3.798
   44   HD22  LEU   4          HD22      LEU   4 -13.601   2.272   4.391
   45   HD23  LEU   4          HD23      LEU   4 -13.605   4.025   4.221
   46    H    ALA   5           H        ALA   5 -13.416   3.970  -0.416
   47    HA   ALA   5           HA       ALA   5 -11.371   3.802  -2.362
   48    HB1  ALA   5           HB1      ALA   5 -12.438   6.316  -1.088
   49    HB2  ALA   5           HB2      ALA   5 -13.216   5.476  -2.416
   50    HB3  ALA   5           HB3      ALA   5 -11.610   6.182  -2.640
   51    H    TYR   6           H        TYR   6 -11.436   4.888   0.907
   52    HA   TYR   6           HA       TYR   6  -8.663   5.556   0.855
   53    HB2  TYR   6           HB2      TYR   6 -10.538   5.259   3.190
   54    HB3  TYR   6           HB3      TYR   6  -8.830   5.616   3.407
   55    HD1  TYR   6           HD1      TYR   6 -12.036   6.877   2.424
   56    HD2  TYR   6           HD2      TYR   6  -7.911   7.763   2.585
   57    HE1  TYR   6           HE1      TYR   6 -12.551   9.241   2.066
   58    HE2  TYR   6           HE2      TYR   6  -8.395  10.152   2.229
   59    HH   TYR   6           HH       TYR   6 -11.508  11.407   2.513
   60    H    ASN   7           H        ASN   7 -10.346   2.730   1.214
   61    HA   ASN   7           HA       ASN   7  -8.235   1.236   2.473
   62    HB2  ASN   7           HB2      ASN   7 -10.473   0.332   2.740
   63    HB3  ASN   7           HB3      ASN   7 -10.724   0.319   1.008
   64   HD21  ASN   7          HD21      ASN   7  -9.067  -1.211   3.644
   65   HD22  ASN   7          HD22      ASN   7  -8.696  -2.681   2.835
   66    H    MET   8           H        MET   8  -9.595   1.235  -0.766
   67    HA   MET   8           HA       MET   8  -7.389  -0.288  -1.717
   68    HB2  MET   8           HB2      MET   8  -9.672  -0.597  -2.610
   69    HB3  MET   8           HB3      MET   8  -9.611   1.011  -3.288
   70    HG2  MET   8           HG2      MET   8  -9.180  -0.313  -5.116
   71    HG3  MET   8           HG3      MET   8  -7.565   0.152  -4.613
   72    HE1  MET   8           HE1      MET   8  -6.200  -3.273  -3.109
   73    HE2  MET   8           HE2      MET   8  -7.061  -2.149  -2.087
   74    HE3  MET   8           HE3      MET   8  -5.896  -1.539  -3.271
   75    H    GLY   9           H        GLY   9  -8.590   2.943  -2.605
   76    HA2  GLY   9           HA2      GLY   9  -6.438   3.482  -4.335
   77    HA3  GLY   9           HA3      GLY   9  -7.624   4.643  -3.746
   78    H    HIS  10           H        HIS  10  -7.087   4.481  -1.029
   79    HA   HIS  10           HA       HIS  10  -4.847   6.265  -0.902
   80    HB2  HIS  10           HB2      HIS  10  -6.913   6.264   0.571
   81    HB3  HIS  10           HB3      HIS  10  -6.174   4.935   1.463
   82    HD1  HIS  10           HD1      HIS  10  -4.916   8.330   0.265
   83    HD2  HIS  10           HD2      HIS  10  -5.124   5.989   3.688
   84    HE1  HIS  10           HE1      HIS  10  -3.759   9.621   2.008
   85    H    TYR  11           H        TYR  11  -5.293   2.866   0.107
   86    HA   TYR  11           HA       TYR  11  -2.618   2.694   0.996
   87    HB2  TYR  11           HB2      TYR  11  -4.726   0.631   0.564
   88    HB3  TYR  11           HB3      TYR  11  -3.051   0.147   0.836
   89    HD1  TYR  11           HD1      TYR  11  -6.022   1.578   2.328
   90    HD2  TYR  11           HD2      TYR  11  -1.939   0.648   2.903
   91    HE1  TYR  11           HE1      TYR  11  -6.291   1.902   4.787
   92    HE2  TYR  11           HE2      TYR  11  -2.162   0.941   5.295
   93    HH   TYR  11           HH       TYR  11  -5.227   1.304   6.818
   94    H    ALA  12           H        ALA  12  -4.090   2.191  -2.119
   95    HA   ALA  12           HA       ALA  12  -2.018   0.821  -3.360
   96    HB1  ALA  12           HB1      ALA  12  -4.174   1.267  -4.432
   97    HB2  ALA  12           HB2      ALA  12  -2.829   1.817  -5.437
   98    HB3  ALA  12           HB3      ALA  12  -3.778   2.988  -4.511
   99    H    GLY  13           H        GLY  13  -2.439   4.218  -2.663
  100    HA2  GLY  13           HA2      GLY  13  -0.055   5.114  -3.968
  101    HA3  GLY  13           HA3      GLY  13  -1.005   5.997  -2.770
  102    H    LYS  14           H        LYS  14  -0.926   4.423  -0.658
  103    HA   LYS  14           HA       LYS  14   1.469   5.209   0.495
  104    HB2  LYS  14           HB2      LYS  14  -0.696   3.465   1.518
  105    HB3  LYS  14           HB3      LYS  14   0.651   4.050   2.501
  106    HG2  LYS  14           HG2      LYS  14   0.032   6.248   2.315
  107    HG3  LYS  14           HG3      LYS  14  -0.944   5.957   0.879
  108    HD2  LYS  14           HD2      LYS  14  -2.583   6.123   2.301
  109    HD3  LYS  14           HD3      LYS  14  -2.172   4.429   2.597
  110    HE2  LYS  14           HE2      LYS  14  -1.156   6.756   4.215
  111    HE3  LYS  14           HE3      LYS  14  -2.519   5.753   4.698
  112    HZ1  LYS  14           HZ1      LYS  14  -0.991   3.856   4.811
  113    HZ2  LYS  14           HZ2      LYS  14  -0.491   5.121   5.808
  114    HZ3  LYS  14           HZ3      LYS  14   0.297   4.849   4.375
  115    H    ALA  15           H        ALA  15   0.380   2.038  -0.564
  116    HA   ALA  15           HA       ALA  15   2.632   0.686   0.524
  117    HB1  ALA  15           HB1      ALA  15   0.742  -0.208  -1.653
  118    HB2  ALA  15           HB2      ALA  15   0.549  -0.503   0.075
  119    HB3  ALA  15           HB3      ALA  15   1.909  -1.218  -0.801
  120    H    THR  16           H        THR  16   2.000   2.359  -2.425
  121    HA   THR  16           HA       THR  16   4.285   1.295  -3.744
  122    HB   THR  16           HB       THR  16   2.718   3.784  -4.485
  123    HG1  THR  16           HG1      THR  16   1.269   2.141  -4.658
  124   HG21  THR  16          HG21      THR  16   4.519   1.955  -6.060
  125   HG22  THR  16          HG22      THR  16   4.933   3.595  -5.551
  126   HG23  THR  16          HG23      THR  16   3.645   3.337  -6.733
  127    H    ILE  17           H        ILE  17   3.591   4.271  -1.936
  128    HA   ILE  17           HA       ILE  17   6.265   5.158  -2.410
  129    HB   ILE  17           HB       ILE  17   4.602   6.897  -2.144
  130   HG12  ILE  17          HG12      ILE  17   5.619   8.300  -0.358
  131   HG13  ILE  17          HG13      ILE  17   6.519   6.889   0.186
  132   HG21  ILE  17          HG21      ILE  17   3.459   7.370  -0.027
  133   HG22  ILE  17          HG22      ILE  17   4.088   5.852   0.620
  134   HG23  ILE  17          HG23      ILE  17   2.996   5.839  -0.762
  135   HD11  ILE  17          HD11      ILE  17   7.675   6.793  -1.947
  136   HD12  ILE  17          HD12      ILE  17   7.876   8.379  -1.202
  137   HD13  ILE  17          HD13      ILE  17   6.736   8.163  -2.535
  138    H    PHE  18           H        PHE  18   4.621   3.955   0.525
  139    HA   PHE  18           HA       PHE  18   7.104   3.926   1.960
  140    HB2  PHE  18           HB2      PHE  18   4.400   2.883   2.757
  141    HB3  PHE  18           HB3      PHE  18   5.809   3.018   3.810
  142    HD1  PHE  18           HD1      PHE  18   2.813   4.533   3.136
  143    HD2  PHE  18           HD2      PHE  18   6.936   5.464   3.490
  144    HE1  PHE  18           HE1      PHE  18   2.232   6.849   3.682
  145    HE2  PHE  18           HE2      PHE  18   6.368   7.796   4.041
  146    HZ   PHE  18           HZ       PHE  18   4.002   8.493   4.134
  147    H    GLY  19           H        GLY  19   4.799   1.376   1.123
  148    HA2  GLY  19           HA2      GLY  19   6.294  -0.784   2.049
  149    HA3  GLY  19           HA3      GLY  19   5.042  -0.886   0.823
  150    H    LEU  20           H        LEU  20   5.977   0.346  -1.275
  151    HA   LEU  20           HA       LEU  20   7.950  -1.353  -2.247
  152    HB2  LEU  20           HB2      LEU  20   6.497   0.902  -3.318
  153    HB3  LEU  20           HB3      LEU  20   8.141   0.721  -3.959
  154    HG   LEU  20           HG       LEU  20   7.569  -1.634  -4.377
  155   HD11  LEU  20          HD11      LEU  20   4.732  -0.641  -4.090
  156   HD12  LEU  20          HD12      LEU  20   5.520  -1.788  -3.002
  157   HD13  LEU  20          HD13      LEU  20   5.188  -2.240  -4.676
  158   HD21  LEU  20          HD21      LEU  20   6.115   0.489  -5.898
  159   HD22  LEU  20          HD22      LEU  20   6.432  -1.147  -6.503
  160   HD23  LEU  20          HD23      LEU  20   7.777  -0.052  -6.139
  161    H    ALA  21           H        ALA  21   8.343   1.776  -0.753
  162    HA   ALA  21           HA       ALA  21  11.006   2.148  -1.557
  163    HB1  ALA  21           HB1      ALA  21   9.716   3.937  -0.494
  164    HB2  ALA  21           HB2      ALA  21  11.231   3.648   0.385
  165    HB3  ALA  21           HB3      ALA  21   9.708   3.033   1.015
  166    H    ALA  22           H        ALA  22   9.586   0.198   0.911
  167    HA   ALA  22           HA       ALA  22  12.076  -0.487   2.194
  168    HB1  ALA  22           HB1      ALA  22   9.446  -1.955   2.270
  169    HB2  ALA  22           HB2      ALA  22   9.908  -0.656   3.368
  170    HB3  ALA  22           HB3      ALA  22  10.815  -2.179   3.358
  171    H    TRP  23           H        TRP  23  10.299  -1.758  -0.484
  172    HA   TRP  23           HA       TRP  23  12.096  -4.019  -0.486
  173    HB2  TRP  23           HB2      TRP  23   9.480  -3.793  -1.308
  174    HB3  TRP  23           HB3      TRP  23  10.393  -3.741  -2.812
  175    HD1  TRP  23           HD1      TRP  23  10.392  -6.105  -3.835
  176    HE1  TRP  23           HE1      TRP  23  10.877  -8.470  -2.951
  177    HE3  TRP  23           HE3      TRP  23  11.000  -5.017   1.130
  178    HZ2  TRP  23           HZ2      TRP  23  11.453  -9.708  -0.485
  179    HZ3  TRP  23           HZ3      TRP  23  11.539  -6.819   2.671
  180    HH2  TRP  23           HH2      TRP  23  11.760  -9.141   1.883
  181    H    ALA  24           H        ALA  24  11.471  -1.186  -2.463
  182    HA   ALA  24           HA       ALA  24  13.523  -1.859  -4.305
  183    HB1  ALA  24           HB1      ALA  24  13.111   0.252  -5.320
  184    HB2  ALA  24           HB2      ALA  24  12.229   0.818  -3.903
  185    HB3  ALA  24           HB3      ALA  24  11.566  -0.485  -4.896
  186    H    LEU  25           H        LEU  25  13.331   0.575  -1.710
  187    HA   LEU  25           HA       LEU  25  16.054   1.390  -2.144
  188    HB2  LEU  25           HB2      LEU  25  13.870   2.318  -0.346
  189    HB3  LEU  25           HB3      LEU  25  15.525   2.852  -0.053
  190    HG   LEU  25           HG       LEU  25  15.473   3.835  -2.380
  191   HD11  LEU  25          HD11      LEU  25  13.365   4.201  -3.464
  192   HD12  LEU  25          HD12      LEU  25  12.533   3.264  -2.230
  193   HD13  LEU  25          HD13      LEU  25  13.685   2.472  -3.313
  194   HD21  LEU  25          HD21      LEU  25  15.144   5.211  -0.426
  195   HD22  LEU  25          HD22      LEU  25  13.425   4.820  -0.414
  196   HD23  LEU  25          HD23      LEU  25  14.108   5.761  -1.744
  197    H    LEU  26           H        LEU  26  14.424  -0.694   0.170
  198    HA   LEU  26           HA       LEU  26  16.703  -0.530   1.967
  199    HB2  LEU  26           HB2      LEU  26  14.491  -0.228   2.913
  200    HB3  LEU  26           HB3      LEU  26  13.999  -1.782   2.274
  201    HG   LEU  26           HG       LEU  26  15.707  -2.817   3.719
  202   HD11  LEU  26          HD11      LEU  26  16.446  -1.543   5.708
  203   HD12  LEU  26          HD12      LEU  26  15.764  -0.084   4.979
  204   HD13  LEU  26          HD13      LEU  26  17.102  -0.923   4.192
  205   HD21  LEU  26          HD21      LEU  26  13.425  -1.347   5.025
  206   HD22  LEU  26          HD22      LEU  26  14.302  -2.697   5.749
  207   HD23  LEU  26          HD23      LEU  26  13.372  -2.946   4.282
  208    H    ALA  27           H        ALA  27  15.388  -2.587  -0.287
  209    HA   ALA  27           HA       ALA  27  16.723  -4.963   0.776
  210    HB1  ALA  27           HB1      ALA  27  14.469  -5.206  -0.168
  211    HB2  ALA  27           HB2      ALA  27  15.637  -6.231  -1.010
  212    HB3  ALA  27           HB3      ALA  27  15.079  -4.725  -1.742
  Start of MODEL   15
    1    H1   ARG   1           HT1      ARG   1  12.023  11.198   4.031
    2    H2   ARG   1           HT2      ARG   1  12.716   9.843   4.799
    3    H3   ARG   1           HT3      ARG   1  11.323   9.678   3.880
    4    HA   ARG   1           HA       ARG   1  12.363  10.042   1.907
    5    HB2  ARG   1           HB2      ARG   1  14.892  10.401   3.537
    6    HB3  ARG   1           HB3      ARG   1  14.826  10.320   1.784
    7    HG2  ARG   1           HG2      ARG   1  13.427  12.342   1.769
    8    HG3  ARG   1           HG3      ARG   1  13.612  12.450   3.522
    9    HD2  ARG   1           HD2      ARG   1  16.038  12.602   3.227
   10    HD3  ARG   1           HD3      ARG   1  15.825  12.529   1.480
   11    HE   ARG   1           HE       ARG   1  14.815  14.683   3.202
   12   HH11  ARG   1          HH11      ARG   1  15.880  13.602   0.036
   13   HH12  ARG   1          HH12      ARG   1  16.281  15.150  -0.549
   14   HH21  ARG   1          HH21      ARG   1  15.350  16.862   2.379
   15   HH22  ARG   1          HH22      ARG   1  16.005  17.021   0.815
   16    H    ASN   2           H        ASN   2  11.749   8.041   1.550
   17    HA   ASN   2           HA       ASN   2  13.450   5.867   2.463
   18    HB2  ASN   2           HB2      ASN   2  10.457   6.028   2.906
   19    HB3  ASN   2           HB3      ASN   2  11.371   4.532   2.991
   20   HD21  ASN   2          HD21      ASN   2  12.561   4.114   4.788
   21   HD22  ASN   2          HD22      ASN   2  12.519   5.086   6.207
   22    H    LYS   3           H        LYS   3  13.445   4.147   1.030
   23    HA   LYS   3           HA       LYS   3  11.486   3.950  -1.037
   24    HB2  LYS   3           HB2      LYS   3  13.351   5.492  -1.889
   25    HB3  LYS   3           HB3      LYS   3  14.419   4.104  -1.739
   26    HG2  LYS   3           HG2      LYS   3  12.467   2.948  -3.112
   27    HG3  LYS   3           HG3      LYS   3  12.206   4.618  -3.608
   28    HD2  LYS   3           HD2      LYS   3  13.673   3.617  -5.232
   29    HD3  LYS   3           HD3      LYS   3  14.653   4.686  -4.244
   30    HE2  LYS   3           HE2      LYS   3  15.496   2.873  -2.943
   31    HE3  LYS   3           HE3      LYS   3  14.356   1.754  -3.667
   32    HZ1  LYS   3           HZ1      LYS   3  15.517   1.981  -5.764
   33    HZ2  LYS   3           HZ2      LYS   3  16.573   1.536  -4.538
   34    HZ3  LYS   3           HZ3      LYS   3  16.576   3.112  -5.093
   35    H    LEU   4           H        LEU   4  11.076   1.814  -0.873
   36    HA   LEU   4           HA       LEU   4  13.302  -0.054  -0.841
   37    HB2  LEU   4           HB2      LEU   4  12.791   0.477   1.545
   38    HB3  LEU   4           HB3      LEU   4  11.156  -0.107   1.300
   39    HG   LEU   4           HG       LEU   4  12.185  -2.345   0.717
   40   HD11  LEU   4          HD11      LEU   4  14.433  -2.781   1.534
   41   HD12  LEU   4          HD12      LEU   4  14.623  -1.075   1.936
   42   HD13  LEU   4          HD13      LEU   4  14.437  -1.567   0.256
   43   HD21  LEU   4          HD21      LEU   4  12.616  -1.263   3.497
   44   HD22  LEU   4          HD22      LEU   4  12.490  -2.969   3.059
   45   HD23  LEU   4          HD23      LEU   4  11.104  -1.894   2.844
   46    H    ALA   5           H        ALA   5  12.634  -2.128  -1.525
   47    HA   ALA   5           HA       ALA   5  10.573  -2.205  -3.406
   48    HB1  ALA   5           HB1      ALA   5  10.950  -4.618  -3.476
   49    HB2  ALA   5           HB2      ALA   5  11.860  -4.517  -1.961
   50    HB3  ALA   5           HB3      ALA   5  12.481  -3.741  -3.416
   51    H    TYR   6           H        TYR   6  10.673  -3.143  -0.095
   52    HA   TYR   6           HA       TYR   6   7.984  -4.126  -0.206
   53    HB2  TYR   6           HB2      TYR   6   9.953  -4.012   2.057
   54    HB3  TYR   6           HB3      TYR   6   8.277  -4.470   2.318
   55    HD1  TYR   6           HD1      TYR   6  11.351  -5.418   0.446
   56    HD2  TYR   6           HD2      TYR   6   7.502  -6.628   1.806
   57    HE1  TYR   6           HE1      TYR   6  11.836  -7.731  -0.245
   58    HE2  TYR   6           HE2      TYR   6   7.982  -8.938   1.132
   59    HH   TYR   6           HH       TYR   6  11.108  -9.974   0.237
   60    H    ASN   7           H        ASN   7   9.475  -1.193   0.618
   61    HA   ASN   7           HA       ASN   7   7.204  -0.199   2.071
   62    HB2  ASN   7           HB2      ASN   7   9.594   1.281   0.945
   63    HB3  ASN   7           HB3      ASN   7   8.247   2.096   1.710
   64   HD21  ASN   7          HD21      ASN   7   8.046  -0.159   3.717
   65   HD22  ASN   7          HD22      ASN   7   9.299   0.178   4.823
   66    H    MET   8           H        MET   8   8.549   0.516  -1.097
   67    HA   MET   8           HA       MET   8   6.214   1.960  -1.826
   68    HB2  MET   8           HB2      MET   8   8.383   2.605  -2.744
   69    HB3  MET   8           HB3      MET   8   8.554   1.038  -3.499
   70    HG2  MET   8           HG2      MET   8   7.959   2.356  -5.277
   71    HG3  MET   8           HG3      MET   8   6.406   1.698  -4.794
   72    HE1  MET   8           HE1      MET   8   5.662   3.761  -2.194
   73    HE2  MET   8           HE2      MET   8   4.571   3.123  -3.421
   74    HE3  MET   8           HE3      MET   8   4.664   4.861  -3.145
   75    H    GLY   9           H        GLY   9   7.644  -1.042  -3.082
   76    HA2  GLY   9           HA2      GLY   9   5.495  -1.487  -4.891
   77    HA3  GLY   9           HA3      GLY   9   6.807  -2.595  -4.536
   78    H    HIS  10           H        HIS  10   6.352  -2.977  -1.814
   79    HA   HIS  10           HA       HIS  10   4.316  -4.979  -2.081
   80    HB2  HIS  10           HB2      HIS  10   6.415  -5.119  -0.690
   81    HB3  HIS  10           HB3      HIS  10   5.602  -4.097   0.502
   82    HD1  HIS  10           HD1      HIS  10   4.570  -7.206  -1.435
   83    HD2  HIS  10           HD2      HIS  10   4.731  -5.687   2.406
   84    HE1  HIS  10           HE1      HIS  10   3.727  -9.012   0.002
   85    H    TYR  11           H        TYR  11   4.476  -1.858  -0.423
   86    HA   TYR  11           HA       TYR  11   1.855  -2.045   0.594
   87    HB2  TYR  11           HB2      TYR  11   3.731   0.263   0.338
   88    HB3  TYR  11           HB3      TYR  11   2.036   0.540   0.736
   89    HD1  TYR  11           HD1      TYR  11   5.209  -0.693   1.904
   90    HD2  TYR  11           HD2      TYR  11   1.090  -0.348   2.764
   91    HE1  TYR  11           HE1      TYR  11   5.667  -1.231   4.297
   92    HE2  TYR  11           HE2      TYR  11   1.492  -0.860   5.110
   93    HH   TYR  11           HH       TYR  11   3.095  -1.933   6.463
   94    H    ALA  12           H        ALA  12   3.061  -1.044  -2.499
   95    HA   ALA  12           HA       ALA  12   0.800   0.306  -3.406
   96    HB1  ALA  12           HB1      ALA  12   2.888   0.213  -4.698
   97    HB2  ALA  12           HB2      ALA  12   1.530  -0.332  -5.678
   98    HB3  ALA  12           HB3      ALA  12   2.643  -1.504  -4.977
   99    H    GLY  13           H        GLY  13   1.504  -3.113  -3.167
  100    HA2  GLY  13           HA2      GLY  13  -0.944  -3.980  -4.395
  101    HA3  GLY  13           HA3      GLY  13   0.164  -4.984  -3.470
  102    H    LYS  14           H        LYS  14   0.221  -3.689  -1.062
  103    HA   LYS  14           HA       LYS  14  -2.101  -4.695   0.138
  104    HB2  LYS  14           HB2      LYS  14   0.255  -3.238   1.188
  105    HB3  LYS  14           HB3      LYS  14  -1.187  -3.269   2.189
  106    HG2  LYS  14           HG2      LYS  14   0.288  -5.081   2.821
  107    HG3  LYS  14           HG3      LYS  14  -1.178  -5.728   2.093
  108    HD2  LYS  14           HD2      LYS  14   0.097  -5.929  -0.040
  109    HD3  LYS  14           HD3      LYS  14   1.552  -5.494   0.866
  110    HE2  LYS  14           HE2      LYS  14  -0.256  -7.830   1.400
  111    HE3  LYS  14           HE3      LYS  14   1.336  -7.918   0.650
  112    HZ1  LYS  14           HZ1      LYS  14   0.780  -7.018   3.432
  113    HZ2  LYS  14           HZ2      LYS  14   2.296  -7.115   2.748
  114    HZ3  LYS  14           HZ3      LYS  14   1.390  -8.509   3.005
  115    H    ALA  15           H        ALA  15  -1.256  -1.376  -0.610
  116    HA   ALA  15           HA       ALA  15  -3.564  -0.359   0.660
  117    HB1  ALA  15           HB1      ALA  15  -3.066   1.726  -0.483
  118    HB2  ALA  15           HB2      ALA  15  -1.841   0.904  -1.464
  119    HB3  ALA  15           HB3      ALA  15  -1.626   1.051   0.284
  120    H    THR  16           H        THR  16  -2.948  -1.689  -2.470
  121    HA   THR  16           HA       THR  16  -5.402  -0.699  -3.504
  122    HB   THR  16           HB       THR  16  -3.663  -2.921  -4.621
  123    HG1  THR  16           HG1      THR  16  -2.456  -1.119  -4.786
  124   HG21  THR  16          HG21      THR  16  -5.980  -2.962  -5.465
  125   HG22  THR  16          HG22      THR  16  -4.877  -2.393  -6.729
  126   HG23  THR  16          HG23      THR  16  -5.864  -1.244  -5.813
  127    H    ILE  17           H        ILE  17  -4.407  -3.755  -2.001
  128    HA   ILE  17           HA       ILE  17  -7.075  -4.740  -2.384
  129    HB   ILE  17           HB       ILE  17  -5.195  -6.321  -2.377
  130   HG12  ILE  17          HG12      ILE  17  -7.457  -7.218  -1.766
  131   HG13  ILE  17          HG13      ILE  17  -6.130  -8.175  -1.142
  132   HG21  ILE  17          HG21      ILE  17  -4.778  -5.689   0.497
  133   HG22  ILE  17          HG22      ILE  17  -3.706  -5.399  -0.870
  134   HG23  ILE  17          HG23      ILE  17  -4.053  -7.059  -0.354
  135   HD11  ILE  17          HD11      ILE  17  -7.963  -8.006   0.431
  136   HD12  ILE  17          HD12      ILE  17  -7.831  -6.247   0.417
  137   HD13  ILE  17          HD13      ILE  17  -6.519  -7.223   1.075
  138    H    PHE  18           H        PHE  18  -5.298  -3.629   0.497
  139    HA   PHE  18           HA       PHE  18  -7.681  -3.786   2.087
  140    HB2  PHE  18           HB2      PHE  18  -4.970  -2.665   2.753
  141    HB3  PHE  18           HB3      PHE  18  -6.295  -2.895   3.897
  142    HD1  PHE  18           HD1      PHE  18  -7.351  -5.365   3.537
  143    HD2  PHE  18           HD2      PHE  18  -3.327  -4.229   2.948
  144    HE1  PHE  18           HE1      PHE  18  -6.651  -7.689   3.971
  145    HE2  PHE  18           HE2      PHE  18  -2.599  -6.544   3.364
  146    HZ   PHE  18           HZ       PHE  18  -4.262  -8.278   3.874
  147    H    GLY  19           H        GLY  19  -5.611  -1.097   1.098
  148    HA2  GLY  19           HA2      GLY  19  -7.113   0.971   2.263
  149    HA3  GLY  19           HA3      GLY  19  -6.005   1.152   0.917
  150    H    LEU  20           H        LEU  20  -7.037  -0.091  -1.089
  151    HA   LEU  20           HA       LEU  20  -9.071   1.588  -1.976
  152    HB2  LEU  20           HB2      LEU  20  -7.398  -0.143  -3.193
  153    HB3  LEU  20           HB3      LEU  20  -8.903  -1.022  -3.321
  154    HG   LEU  20           HG       LEU  20  -9.863   1.169  -4.239
  155   HD11  LEU  20          HD11      LEU  20  -8.262   2.602  -5.378
  156   HD12  LEU  20          HD12      LEU  20  -6.947   1.615  -4.735
  157   HD13  LEU  20          HD13      LEU  20  -7.949   2.558  -3.635
  158   HD21  LEU  20          HD21      LEU  20  -9.145   0.595  -6.505
  159   HD22  LEU  20          HD22      LEU  20  -9.613  -0.827  -5.579
  160   HD23  LEU  20          HD23      LEU  20  -7.898  -0.463  -5.841
  161    H    ALA  21           H        ALA  21  -9.312  -1.568  -0.348
  162    HA   ALA  21           HA       ALA  21 -11.976  -2.102  -0.973
  163    HB1  ALA  21           HB1      ALA  21 -10.466  -3.742   0.061
  164    HB2  ALA  21           HB2      ALA  21 -11.957  -3.547   0.987
  165    HB3  ALA  21           HB3      ALA  21 -10.466  -2.785   1.541
  166    H    ALA  22           H        ALA  22 -10.511   0.056   1.319
  167    HA   ALA  22           HA       ALA  22 -12.842   0.534   2.891
  168    HB1  ALA  22           HB1      ALA  22 -10.569   1.050   3.728
  169    HB2  ALA  22           HB2      ALA  22 -11.628   2.462   3.770
  170    HB3  ALA  22           HB3      ALA  22 -10.425   2.304   2.495
  171    H    TRP  23           H        TRP  23 -11.592   1.816  -0.060
  172    HA   TRP  23           HA       TRP  23 -13.612   3.874  -0.015
  173    HB2  TRP  23           HB2      TRP  23 -11.077   3.704  -1.157
  174    HB3  TRP  23           HB3      TRP  23 -12.184   3.677  -2.516
  175    HD1  TRP  23           HD1      TRP  23 -12.673   6.068  -3.380
  176    HE1  TRP  23           HE1      TRP  23 -12.951   8.388  -2.307
  177    HE3  TRP  23           HE3      TRP  23 -11.847   4.800   1.485
  178    HZ2  TRP  23           HZ2      TRP  23 -12.829   9.529   0.279
  179    HZ3  TRP  23           HZ3      TRP  23 -11.946   6.542   3.204
  180    HH2  TRP  23           HH2      TRP  23 -12.433   8.869   2.609
  181    H    ALA  24           H        ALA  24 -12.895   0.938  -1.794
  182    HA   ALA  24           HA       ALA  24 -15.127   1.204  -3.544
  183    HB1  ALA  24           HB1      ALA  24 -13.440  -1.209  -2.935
  184    HB2  ALA  24           HB2      ALA  24 -13.105  -0.007  -4.184
  185    HB3  ALA  24           HB3      ALA  24 -14.536  -1.033  -4.306
  186    H    LEU  25           H        LEU  25 -14.452  -1.028  -0.873
  187    HA   LEU  25           HA       LEU  25 -17.119  -2.065  -0.968
  188    HB2  LEU  25           HB2      LEU  25 -14.676  -2.789   0.573
  189    HB3  LEU  25           HB3      LEU  25 -16.247  -3.444   1.028
  190    HG   LEU  25           HG       LEU  25 -15.099  -5.075  -0.259
  191   HD11  LEU  25          HD11      LEU  25 -17.117  -3.768  -2.061
  192   HD12  LEU  25          HD12      LEU  25 -17.443  -4.931  -0.781
  193   HD13  LEU  25          HD13      LEU  25 -16.520  -5.417  -2.199
  194   HD21  LEU  25          HD21      LEU  25 -14.642  -2.990  -2.387
  195   HD22  LEU  25          HD22      LEU  25 -14.194  -4.693  -2.508
  196   HD23  LEU  25          HD23      LEU  25 -13.410  -3.658  -1.320
  197    H    LEU  26           H        LEU  26 -15.493   0.276   1.015
  198    HA   LEU  26           HA       LEU  26 -17.557   0.004   3.055
  199    HB2  LEU  26           HB2      LEU  26 -15.336  -0.014   3.917
  200    HB3  LEU  26           HB3      LEU  26 -14.913   1.429   3.027
  201    HG   LEU  26           HG       LEU  26 -16.561   2.663   4.454
  202   HD11  LEU  26          HD11      LEU  26 -16.434   0.165   6.128
  203   HD12  LEU  26          HD12      LEU  26 -17.852   0.802   5.299
  204   HD13  LEU  26          HD13      LEU  26 -17.125   1.707   6.630
  205   HD21  LEU  26          HD21      LEU  26 -15.003   2.851   6.361
  206   HD22  LEU  26          HD22      LEU  26 -14.184   2.899   4.807
  207   HD23  LEU  26          HD23      LEU  26 -14.151   1.423   5.776
  208    H    ALA  27           H        ALA  27 -16.560   2.054   0.603
  209    HA   ALA  27           HA       ALA  27 -18.364   4.163   1.576
  210    HB1  ALA  27           HB1      ALA  27 -16.037   4.880   1.310
  211    HB2  ALA  27           HB2      ALA  27 -17.126   5.776   0.259
  212    HB3  ALA  27           HB3      ALA  27 -16.118   4.493  -0.407
  Start of MODEL   16
    1    H1   ARG   1           HT1      ARG   1  14.377  -9.410  -2.575
    2    H2   ARG   1           HT2      ARG   1  15.567  -9.405  -1.359
    3    H3   ARG   1           HT3      ARG   1  14.839  -7.972  -1.823
    4    HA   ARG   1           HA       ARG   1  12.768  -8.620  -0.953
    5    HB2  ARG   1           HB2      ARG   1  13.585 -11.177  -1.300
    6    HB3  ARG   1           HB3      ARG   1  14.052 -10.984   0.375
    7    HG2  ARG   1           HG2      ARG   1  11.270 -10.626  -0.722
    8    HG3  ARG   1           HG3      ARG   1  11.867 -12.045   0.128
    9    HD2  ARG   1           HD2      ARG   1  11.639  -9.264   1.255
   10    HD3  ARG   1           HD3      ARG   1  10.501 -10.577   1.544
   11    HE   ARG   1           HE       ARG   1  13.280 -11.043   2.300
   12   HH11  ARG   1          HH11      ARG   1   9.972 -10.282   3.350
   13   HH12  ARG   1          HH12      ARG   1  10.338 -10.524   5.005
   14   HH21  ARG   1          HH21      ARG   1  13.723 -11.379   4.561
   15   HH22  ARG   1          HH22      ARG   1  12.466 -11.152   5.692
   16    H    ASN   2           H        ASN   2  13.689  -6.684  -0.104
   17    HA   ASN   2           HA       ASN   2  15.256  -7.014   2.370
   18    HB2  ASN   2           HB2      ASN   2  15.360  -4.656   0.452
   19    HB3  ASN   2           HB3      ASN   2  16.359  -4.897   1.870
   20   HD21  ASN   2          HD21      ASN   2  18.328  -4.717   0.702
   21   HD22  ASN   2          HD22      ASN   2  18.787  -5.906  -0.461
   22    H    LYS   3           H        LYS   3  14.829  -5.260   3.894
   23    HA   LYS   3           HA       LYS   3  12.063  -4.338   3.763
   24    HB2  LYS   3           HB2      LYS   3  12.897  -5.383   5.841
   25    HB3  LYS   3           HB3      LYS   3  14.112  -4.126   5.973
   26    HG2  LYS   3           HG2      LYS   3  11.859  -2.625   5.757
   27    HG3  LYS   3           HG3      LYS   3  11.227  -4.043   6.579
   28    HD2  LYS   3           HD2      LYS   3  11.916  -2.461   8.236
   29    HD3  LYS   3           HD3      LYS   3  13.058  -3.805   8.259
   30    HE2  LYS   3           HE2      LYS   3  14.630  -2.483   6.894
   31    HE3  LYS   3           HE3      LYS   3  13.478  -1.172   6.840
   32    HZ1  LYS   3           HZ1      LYS   3  15.139  -0.791   8.536
   33    HZ2  LYS   3           HZ2      LYS   3  14.745  -2.244   9.299
   34    HZ3  LYS   3           HZ3      LYS   3  13.635  -0.996   9.255
   35    H    LEU   4           H        LEU   4  11.808  -2.444   2.795
   36    HA   LEU   4           HA       LEU   4  13.805  -0.374   3.309
   37    HB2  LEU   4           HB2      LEU   4  14.212  -1.358   1.206
   38    HB3  LEU   4           HB3      LEU   4  12.560  -1.135   0.668
   39    HG   LEU   4           HG       LEU   4  12.999   1.376   0.866
   40   HD11  LEU   4          HD11      LEU   4  15.292   2.129   0.807
   41   HD12  LEU   4          HD12      LEU   4  15.859   0.474   1.004
   42   HD13  LEU   4          HD13      LEU   4  14.955   1.255   2.300
   43   HD21  LEU   4          HD21      LEU   4  14.117   1.497  -1.284
   44   HD22  LEU   4          HD22      LEU   4  12.902   0.216  -1.269
   45   HD23  LEU   4          HD23      LEU   4  14.618  -0.188  -1.126
   46    H    ALA   5           H        ALA   5  12.978   1.675   3.483
   47    HA   ALA   5           HA       ALA   5  10.381   1.961   4.465
   48    HB1  ALA   5           HB1      ALA   5  12.206   4.130   3.453
   49    HB2  ALA   5           HB2      ALA   5  12.225   3.445   5.083
   50    HB3  ALA   5           HB3      ALA   5  10.816   4.347   4.521
   51    H    TYR   6           H        TYR   6  11.667   2.476   1.325
   52    HA   TYR   6           HA       TYR   6   9.319   3.715   0.296
   53    HB2  TYR   6           HB2      TYR   6  11.630   2.402  -1.087
   54    HB3  TYR   6           HB3      TYR   6  10.294   3.140  -1.959
   55    HD1  TYR   6           HD1      TYR   6   9.932   5.568  -1.861
   56    HD2  TYR   6           HD2      TYR   6  13.335   3.772  -0.050
   57    HE1  TYR   6           HE1      TYR   6  11.035   7.756  -1.763
   58    HE2  TYR   6           HE2      TYR   6  14.443   5.972   0.057
   59    HH   TYR   6           HH       TYR   6  12.755   8.882  -0.546
   60    H    ASN   7           H        ASN   7  10.351   0.476   0.684
   61    HA   ASN   7           HA       ASN   7   8.377  -0.636  -1.090
   62    HB2  ASN   7           HB2      ASN   7  10.313  -1.867   0.860
   63    HB3  ASN   7           HB3      ASN   7   9.053  -2.835   0.104
   64   HD21  ASN   7          HD21      ASN   7   9.116  -1.714  -2.467
   65   HD22  ASN   7          HD22      ASN   7  10.606  -2.121  -3.213
   66    H    MET   8           H        MET   8   8.887  -0.874   2.386
   67    HA   MET   8           HA       MET   8   6.166  -1.673   2.688
   68    HB2  MET   8           HB2      MET   8   7.792  -2.721   4.144
   69    HB3  MET   8           HB3      MET   8   8.251  -1.169   4.807
   70    HG2  MET   8           HG2      MET   8   6.763  -2.568   6.276
   71    HG3  MET   8           HG3      MET   8   6.212  -0.924   5.961
   72    HE1  MET   8           HE1      MET   8   5.925  -3.777   3.259
   73    HE2  MET   8           HE2      MET   8   4.385  -4.516   3.666
   74    HE3  MET   8           HE3      MET   8   5.771  -4.705   4.754
   75    H    GLY   9           H        GLY   9   7.934   1.132   3.943
   76    HA2  GLY   9           HA2      GLY   9   5.676   2.291   5.199
   77    HA3  GLY   9           HA3      GLY   9   7.160   3.132   4.809
   78    H    HIS  10           H        HIS  10   7.186   3.103   2.104
   79    HA   HIS  10           HA       HIS  10   5.427   5.249   1.472
   80    HB2  HIS  10           HB2      HIS  10   7.653   4.876   0.464
   81    HB3  HIS  10           HB3      HIS  10   7.001   3.495  -0.411
   82    HD1  HIS  10           HD1      HIS  10   5.435   6.941  -0.002
   83    HD2  HIS  10           HD2      HIS  10   7.008   4.451  -2.926
   84    HE1  HIS  10           HE1      HIS  10   5.000   8.073  -2.131
   85    H    TYR  11           H        TYR  11   5.304   1.802   0.611
   86    HA   TYR  11           HA       TYR  11   2.897   2.151  -0.832
   87    HB2  TYR  11           HB2      TYR  11   4.433  -0.222   0.027
   88    HB3  TYR  11           HB3      TYR  11   2.776  -0.425  -0.544
   89    HD1  TYR  11           HD1      TYR  11   2.174   0.208  -2.804
   90    HD2  TYR  11           HD2      TYR  11   6.179   0.320  -1.472
   91    HE1  TYR  11           HE1      TYR  11   2.892   0.338  -5.119
   92    HE2  TYR  11           HE2      TYR  11   6.964   0.448  -3.826
   93    HH   TYR  11           HH       TYR  11   4.864   1.198  -6.332
   94    H    ALA  12           H        ALA  12   3.616   1.257   2.477
   95    HA   ALA  12           HA       ALA  12   1.124   0.274   3.213
   96    HB1  ALA  12           HB1      ALA  12   3.073   0.159   4.684
   97    HB2  ALA  12           HB2      ALA  12   1.704   0.909   5.515
   98    HB3  ALA  12           HB3      ALA  12   3.021   1.909   4.894
   99    H    GLY  13           H        GLY  13   2.228   3.562   2.913
  100    HA2  GLY  13           HA2      GLY  13  -0.087   4.801   3.993
  101    HA3  GLY  13           HA3      GLY  13   1.067   5.555   2.891
  102    H    LYS  14           H        LYS  14   0.823   3.945   0.687
  103    HA   LYS  14           HA       LYS  14  -1.570   5.062  -0.387
  104    HB2  LYS  14           HB2      LYS  14   0.735   3.601  -1.594
  105    HB3  LYS  14           HB3      LYS  14  -0.749   3.782  -2.516
  106    HG2  LYS  14           HG2      LYS  14   0.870   5.545  -3.074
  107    HG3  LYS  14           HG3      LYS  14  -0.586   6.201  -2.351
  108    HD2  LYS  14           HD2      LYS  14   0.573   6.410  -0.205
  109    HD3  LYS  14           HD3      LYS  14   2.034   5.734  -0.925
  110    HE2  LYS  14           HE2      LYS  14   2.221   7.605  -2.428
  111    HE3  LYS  14           HE3      LYS  14   0.665   8.243  -1.892
  112    HZ1  LYS  14           HZ1      LYS  14   1.629   8.640   0.281
  113    HZ2  LYS  14           HZ2      LYS  14   2.482   9.430  -0.913
  114    HZ3  LYS  14           HZ3      LYS  14   3.126   8.052  -0.225
  115    H    ALA  15           H        ALA  15  -0.514   1.819   0.359
  116    HA   ALA  15           HA       ALA  15  -2.732   0.506  -0.784
  117    HB1  ALA  15           HB1      ALA  15  -2.037  -1.435   0.515
  118    HB2  ALA  15           HB2      ALA  15  -0.930  -0.419   1.453
  119    HB3  ALA  15           HB3      ALA  15  -0.653  -0.669  -0.269
  120    H    THR  16           H        THR  16  -2.233   2.021   2.301
  121    HA   THR  16           HA       THR  16  -4.598   0.927   3.416
  122    HB   THR  16           HB       THR  16  -3.001   3.325   4.329
  123    HG1  THR  16           HG1      THR  16  -1.703   1.544   4.508
  124   HG21  THR  16          HG21      THR  16  -4.085   2.941   6.487
  125   HG22  THR  16          HG22      THR  16  -4.972   1.586   5.796
  126   HG23  THR  16          HG23      THR  16  -5.314   3.228   5.242
  127    H    ILE  17           H        ILE  17  -3.834   3.952   1.740
  128    HA   ILE  17           HA       ILE  17  -6.510   4.786   2.212
  129    HB   ILE  17           HB       ILE  17  -4.859   6.540   2.041
  130   HG12  ILE  17          HG12      ILE  17  -5.914   8.034   0.380
  131   HG13  ILE  17          HG13      ILE  17  -6.801   6.663  -0.267
  132   HG21  ILE  17          HG21      ILE  17  -4.398   5.665  -0.789
  133   HG22  ILE  17          HG22      ILE  17  -3.266   5.588   0.565
  134   HG23  ILE  17          HG23      ILE  17  -3.773   7.150  -0.073
  135   HD11  ILE  17          HD11      ILE  17  -7.938   6.383   1.890
  136   HD12  ILE  17          HD12      ILE  17  -8.191   7.997   1.245
  137   HD13  ILE  17          HD13      ILE  17  -7.014   7.733   2.541
  138    H    PHE  18           H        PHE  18  -4.815   3.666  -0.715
  139    HA   PHE  18           HA       PHE  18  -7.276   3.674  -2.183
  140    HB2  PHE  18           HB2      PHE  18  -4.595   2.567  -2.981
  141    HB3  PHE  18           HB3      PHE  18  -6.005   2.805  -4.015
  142    HD1  PHE  18           HD1      PHE  18  -2.964   4.163  -3.380
  143    HD2  PHE  18           HD2      PHE  18  -7.036   5.256  -3.562
  144    HE1  PHE  18           HE1      PHE  18  -2.295   6.480  -3.859
  145    HE2  PHE  18           HE2      PHE  18  -6.402   7.596  -4.049
  146    HZ   PHE  18           HZ       PHE  18  -4.017   8.208  -4.199
  147    H    GLY  19           H        GLY  19  -5.020   1.073  -1.369
  148    HA2  GLY  19           HA2      GLY  19  -6.590  -1.037  -2.338
  149    HA3  GLY  19           HA3      GLY  19  -5.302  -1.188  -1.146
  150    H    LEU  20           H        LEU  20  -6.163   0.006   0.993
  151    HA   LEU  20           HA       LEU  20  -8.162  -1.677   1.964
  152    HB2  LEU  20           HB2      LEU  20  -6.743   0.609   3.111
  153    HB3  LEU  20           HB3      LEU  20  -8.340   0.235   3.762
  154    HG   LEU  20           HG       LEU  20  -7.553  -2.087   4.050
  155   HD11  LEU  20          HD11      LEU  20  -4.784  -0.934   3.706
  156   HD12  LEU  20          HD12      LEU  20  -5.593  -1.998   2.559
  157   HD13  LEU  20          HD13      LEU  20  -5.188  -2.585   4.172
  158   HD21  LEU  20          HD21      LEU  20  -6.217   0.076   5.625
  159   HD22  LEU  20          HD22      LEU  20  -6.333  -1.612   6.151
  160   HD23  LEU  20          HD23      LEU  20  -7.799  -0.647   5.907
  161    H    ALA  21           H        ALA  21  -8.496   1.456   0.581
  162    HA   ALA  21           HA       ALA  21 -11.230   1.793   1.345
  163    HB1  ALA  21           HB1      ALA  21 -11.488   3.295  -0.535
  164    HB2  ALA  21           HB2      ALA  21  -9.925   2.770  -1.199
  165    HB3  ALA  21           HB3      ALA  21  -9.992   3.649   0.330
  166    H    ALA  22           H        ALA  22  -9.705   0.012  -1.198
  167    HA   ALA  22           HA       ALA  22 -12.158  -0.646  -2.549
  168    HB1  ALA  22           HB1      ALA  22 -10.026  -0.587  -3.772
  169    HB2  ALA  22           HB2      ALA  22 -10.790  -2.172  -3.884
  170    HB3  ALA  22           HB3      ALA  22  -9.432  -1.921  -2.787
  171    H    TRP  23           H        TRP  23 -10.212  -2.033  -0.088
  172    HA   TRP  23           HA       TRP  23 -11.710  -4.499  -0.143
  173    HB2  TRP  23           HB2      TRP  23  -9.131  -3.725   0.668
  174    HB3  TRP  23           HB3      TRP  23  -9.949  -4.414   2.067
  175    HD1  TRP  23           HD1      TRP  23  -9.220  -6.811   2.225
  176    HE1  TRP  23           HE1      TRP  23  -9.016  -8.831   0.596
  177    HE3  TRP  23           HE3      TRP  23 -10.405  -4.439  -2.094
  178    HZ2  TRP  23           HZ2      TRP  23  -9.378  -9.308  -2.185
  179    HZ3  TRP  23           HZ3      TRP  23 -10.497  -5.693  -4.178
  180    HH2  TRP  23           HH2      TRP  23  -9.990  -8.087  -4.235
  181    H    ALA  24           H        ALA  24 -11.189  -1.911   2.202
  182    HA   ALA  24           HA       ALA  24 -12.970  -3.123   4.040
  183    HB1  ALA  24           HB1      ALA  24 -11.794  -0.358   3.982
  184    HB2  ALA  24           HB2      ALA  24 -11.149  -1.757   4.843
  185    HB3  ALA  24           HB3      ALA  24 -12.684  -1.037   5.343
  186    H    LEU  25           H        LEU  25 -13.078  -0.252   1.982
  187    HA   LEU  25           HA       LEU  25 -15.794   0.348   2.727
  188    HB2  LEU  25           HB2      LEU  25 -13.927   1.715   0.812
  189    HB3  LEU  25           HB3      LEU  25 -15.547   2.264   1.194
  190    HG   LEU  25           HG       LEU  25 -13.231   2.055   3.133
  191   HD11  LEU  25          HD11      LEU  25 -12.917   3.836   1.531
  192   HD12  LEU  25          HD12      LEU  25 -13.278   4.493   3.126
  193   HD13  LEU  25          HD13      LEU  25 -14.530   4.461   1.883
  194   HD21  LEU  25          HD21      LEU  25 -15.381   1.700   4.243
  195   HD22  LEU  25          HD22      LEU  25 -16.003   3.188   3.531
  196   HD23  LEU  25          HD23      LEU  25 -14.683   3.255   4.696
  197    H    LEU  26           H        LEU  26 -14.258  -1.087  -0.085
  198    HA   LEU  26           HA       LEU  26 -16.732  -0.794  -1.603
  199    HB2  LEU  26           HB2      LEU  26 -14.653  -0.031  -2.616
  200    HB3  LEU  26           HB3      LEU  26 -13.967  -1.619  -2.395
  201    HG   LEU  26           HG       LEU  26 -15.692  -2.495  -3.915
  202   HD11  LEU  26          HD11      LEU  26 -16.133   0.433  -4.536
  203   HD12  LEU  26          HD12      LEU  26 -17.298  -0.669  -3.811
  204   HD13  LEU  26          HD13      LEU  26 -16.772  -0.915  -5.476
  205   HD21  LEU  26          HD21      LEU  26 -14.488  -1.744  -5.954
  206   HD22  LEU  26          HD22      LEU  26 -13.418  -2.205  -4.641
  207   HD23  LEU  26          HD23      LEU  26 -13.707  -0.498  -4.982
  208    H    ALA  27           H        ALA  27 -15.036  -3.134   0.054
  209    HA   ALA  27           HA       ALA  27 -16.400  -5.273  -1.442
  210    HB1  ALA  27           HB1      ALA  27 -14.763  -6.873  -0.541
  211    HB2  ALA  27           HB2      ALA  27 -14.032  -5.583   0.416
  212    HB3  ALA  27           HB3      ALA  27 -13.955  -5.527  -1.339
  Start of MODEL   17
    1    H1   ARG   1           HT1      ARG   1  15.584 -10.099  -1.019
    2    H2   ARG   1           HT2      ARG   1  15.986  -9.714  -2.573
    3    H3   ARG   1           HT3      ARG   1  15.273 -11.219  -2.247
    4    HA   ARG   1           HA       ARG   1  13.686  -9.666  -3.220
    5    HB2  ARG   1           HB2      ARG   1  13.217 -10.131  -0.254
    6    HB3  ARG   1           HB3      ARG   1  11.993  -9.650  -1.418
    7    HG2  ARG   1           HG2      ARG   1  13.525 -12.240  -1.487
    8    HG3  ARG   1           HG3      ARG   1  11.899 -12.030  -0.854
    9    HD2  ARG   1           HD2      ARG   1  11.087 -11.352  -3.023
   10    HD3  ARG   1           HD3      ARG   1  12.713 -11.409  -3.692
   11    HE   ARG   1           HE       ARG   1  11.946 -13.861  -2.522
   12   HH11  ARG   1          HH11      ARG   1  11.435 -11.908  -5.415
   13   HH12  ARG   1          HH12      ARG   1  11.252 -13.239  -6.462
   14   HH21  ARG   1          HH21      ARG   1  11.730 -15.701  -3.974
   15   HH22  ARG   1          HH22      ARG   1  11.518 -15.426  -5.634
   16    H    ASN   2           H        ASN   2  12.656  -7.625  -3.114
   17    HA   ASN   2           HA       ASN   2  14.319  -5.559  -2.071
   18    HB2  ASN   2           HB2      ASN   2  13.119  -5.226  -4.163
   19    HB3  ASN   2           HB3      ASN   2  11.575  -5.449  -3.352
   20   HD21  ASN   2          HD21      ASN   2  14.319  -3.357  -3.727
   21   HD22  ASN   2          HD22      ASN   2  13.558  -1.914  -3.154
   22    H    LYS   3           H        LYS   3  14.400  -5.256   0.009
   23    HA   LYS   3           HA       LYS   3  11.909  -4.959   1.473
   24    HB2  LYS   3           HB2      LYS   3  13.351  -7.109   1.857
   25    HB3  LYS   3           HB3      LYS   3  14.438  -6.012   2.697
   26    HG2  LYS   3           HG2      LYS   3  13.022  -7.122   4.242
   27    HG3  LYS   3           HG3      LYS   3  12.594  -5.404   4.206
   28    HD2  LYS   3           HD2      LYS   3  11.117  -7.020   2.268
   29    HD3  LYS   3           HD3      LYS   3  10.824  -7.502   3.932
   30    HE2  LYS   3           HE2      LYS   3  10.641  -4.644   2.978
   31    HE3  LYS   3           HE3      LYS   3   9.253  -5.736   2.974
   32    HZ1  LYS   3           HZ1      LYS   3   9.363  -4.341   4.980
   33    HZ2  LYS   3           HZ2      LYS   3  10.842  -4.990   5.385
   34    HZ3  LYS   3           HZ3      LYS   3   9.475  -5.959   5.364
   35    H    LEU   4           H        LEU   4  11.894  -2.907   2.341
   36    HA   LEU   4           HA       LEU   4  14.282  -1.475   3.021
   37    HB2  LEU   4           HB2      LEU   4  14.094  -1.588   0.468
   38    HB3  LEU   4           HB3      LEU   4  12.685  -0.587   0.632
   39    HG   LEU   4           HG       LEU   4  14.144   1.138   1.783
   40   HD11  LEU   4          HD11      LEU   4  16.011  -0.331   2.367
   41   HD12  LEU   4          HD12      LEU   4  16.535   1.029   1.382
   42   HD13  LEU   4          HD13      LEU   4  16.349  -0.567   0.652
   43   HD21  LEU   4          HD21      LEU   4  15.010   2.018  -0.316
   44   HD22  LEU   4          HD22      LEU   4  13.392   1.336  -0.560
   45   HD23  LEU   4          HD23      LEU   4  14.822   0.436  -1.060
   46    H    ALA   5           H        ALA   5  13.650   0.637   3.784
   47    HA   ALA   5           HA       ALA   5  11.271   0.798   5.199
   48    HB1  ALA   5           HB1      ALA   5  13.277   2.093   5.722
   49    HB2  ALA   5           HB2      ALA   5  11.868   3.149   5.556
   50    HB3  ALA   5           HB3      ALA   5  13.054   3.029   4.247
   51    H    TYR   6           H        TYR   6  12.142   1.993   2.081
   52    HA   TYR   6           HA       TYR   6   9.592   3.217   1.638
   53    HB2  TYR   6           HB2      TYR   6  11.974   2.820  -0.141
   54    HB3  TYR   6           HB3      TYR   6  10.452   3.439  -0.777
   55    HD1  TYR   6           HD1      TYR   6   9.696   5.644  -0.252
   56    HD2  TYR   6           HD2      TYR   6  13.272   4.156   1.498
   57    HE1  TYR   6           HE1      TYR   6  10.225   7.886   0.514
   58    HE2  TYR   6           HE2      TYR   6  13.834   6.416   2.277
   59    HH   TYR   6           HH       TYR   6  13.333   8.682   1.906
   60    H    ASN   7           H        ASN   7  10.685   0.086   1.421
   61    HA   ASN   7           HA       ASN   7   8.841  -0.755  -0.630
   62    HB2  ASN   7           HB2      ASN   7  10.817  -2.134  -0.254
   63    HB3  ASN   7           HB3      ASN   7  10.392  -2.347   1.436
   64   HD21  ASN   7          HD21      ASN   7   9.834  -3.370  -1.776
   65   HD22  ASN   7          HD22      ASN   7   8.787  -4.700  -1.410
   66    H    MET   8           H        MET   8   9.090  -1.342   2.835
   67    HA   MET   8           HA       MET   8   6.323  -2.026   2.904
   68    HB2  MET   8           HB2      MET   8   7.834  -3.246   4.330
   69    HB3  MET   8           HB3      MET   8   8.250  -1.763   5.184
   70    HG2  MET   8           HG2      MET   8   6.652  -3.197   6.425
   71    HG3  MET   8           HG3      MET   8   6.065  -1.577   6.091
   72    HE1  MET   8           HE1      MET   8   4.673  -5.166   3.508
   73    HE2  MET   8           HE2      MET   8   5.949  -5.331   4.721
   74    HE3  MET   8           HE3      MET   8   6.213  -4.343   3.285
   75    H    GLY   9           H        GLY   9   8.152   0.632   4.410
   76    HA2  GLY   9           HA2      GLY   9   5.917   1.729   5.728
   77    HA3  GLY   9           HA3      GLY   9   7.435   2.541   5.396
   78    H    HIS  10           H        HIS  10   7.463   2.641   2.703
   79    HA   HIS  10           HA       HIS  10   5.748   4.862   2.178
   80    HB2  HIS  10           HB2      HIS  10   7.960   4.602   1.139
   81    HB3  HIS  10           HB3      HIS  10   7.373   3.212   0.230
   82    HD1  HIS  10           HD1      HIS  10   5.867   6.663   0.727
   83    HD2  HIS  10           HD2      HIS  10   7.141   4.124  -2.279
   84    HE1  HIS  10           HE1      HIS  10   5.209   7.758  -1.370
   85    H    TYR  11           H        TYR  11   5.567   1.479   1.194
   86    HA   TYR  11           HA       TYR  11   3.157   1.886  -0.261
   87    HB2  TYR  11           HB2      TYR  11   4.691  -0.484   0.575
   88    HB3  TYR  11           HB3      TYR  11   3.021  -0.713   0.104
   89    HD1  TYR  11           HD1      TYR  11   2.277  -0.333  -2.119
   90    HD2  TYR  11           HD2      TYR  11   6.367   0.203  -1.117
   91    HE1  TYR  11           HE1      TYR  11   2.816  -0.321  -4.479
   92    HE2  TYR  11           HE2      TYR  11   6.956   0.223  -3.509
   93    HH   TYR  11           HH       TYR  11   5.950  -0.681  -5.610
   94    H    ALA  12           H        ALA  12   3.865   1.091   3.055
   95    HA   ALA  12           HA       ALA  12   1.468  -0.047   3.803
   96    HB1  ALA  12           HB1      ALA  12   1.989   0.615   6.088
   97    HB2  ALA  12           HB2      ALA  12   3.176   1.779   5.497
   98    HB3  ALA  12           HB3      ALA  12   3.443   0.053   5.259
   99    H    GLY  13           H        GLY  13   2.331   3.350   3.691
  100    HA2  GLY  13           HA2      GLY  13  -0.169   4.292   4.702
  101    HA3  GLY  13           HA3      GLY  13   1.001   5.265   3.822
  102    H    LYS  14           H        LYS  14   1.015   3.610   1.476
  103    HA   LYS  14           HA       LYS  14  -1.292   4.794   0.276
  104    HB2  LYS  14           HB2      LYS  14   1.069   3.344  -0.872
  105    HB3  LYS  14           HB3      LYS  14  -0.356   3.642  -1.856
  106    HG2  LYS  14           HG2      LYS  14   1.327   5.371  -2.253
  107    HG3  LYS  14           HG3      LYS  14  -0.100   6.062  -1.493
  108    HD2  LYS  14           HD2      LYS  14   1.055   6.084   0.665
  109    HD3  LYS  14           HD3      LYS  14   2.465   5.338  -0.078
  110    HE2  LYS  14           HE2      LYS  14   2.760   7.276  -1.526
  111    HE3  LYS  14           HE3      LYS  14   1.324   8.027  -0.832
  112    HZ1  LYS  14           HZ1      LYS  14   3.448   8.852   0.126
  113    HZ2  LYS  14           HZ2      LYS  14   3.761   7.326   0.730
  114    HZ3  LYS  14           HZ3      LYS  14   2.444   8.179   1.290
  115    H    ALA  15           H        ALA  15  -0.342   1.656   1.267
  116    HA   ALA  15           HA       ALA  15  -2.339   0.233  -0.114
  117    HB1  ALA  15           HB1      ALA  15  -0.331  -0.864   0.723
  118    HB2  ALA  15           HB2      ALA  15  -1.786  -1.607   1.411
  119    HB3  ALA  15           HB3      ALA  15  -0.820  -0.497   2.375
  120    H    THR  16           H        THR  16  -2.297   1.917   2.932
  121    HA   THR  16           HA       THR  16  -4.752   0.807   3.799
  122    HB   THR  16           HB       THR  16  -3.685   3.501   4.670
  123    HG1  THR  16           HG1      THR  16  -3.021   1.340   6.234
  124   HG21  THR  16          HG21      THR  16  -5.284   1.336   6.042
  125   HG22  THR  16          HG22      THR  16  -5.936   2.848   5.414
  126   HG23  THR  16          HG23      THR  16  -4.807   2.874   6.771
  127    H    ILE  17           H        ILE  17  -3.909   3.664   1.870
  128    HA   ILE  17           HA       ILE  17  -6.684   4.384   1.790
  129    HB   ILE  17           HB       ILE  17  -5.109   6.242   1.662
  130   HG12  ILE  17          HG12      ILE  17  -5.947   7.419  -0.374
  131   HG13  ILE  17          HG13      ILE  17  -6.638   5.887  -0.909
  132   HG21  ILE  17          HG21      ILE  17  -3.241   5.195   0.619
  133   HG22  ILE  17          HG22      ILE  17  -3.675   6.662  -0.269
  134   HG23  ILE  17          HG23      ILE  17  -4.111   5.075  -0.908
  135   HD11  ILE  17          HD11      ILE  17  -8.099   5.846   1.019
  136   HD12  ILE  17          HD12      ILE  17  -8.302   7.366   0.136
  137   HD13  ILE  17          HD13      ILE  17  -7.367   7.328   1.631
  138    H    PHE  18           H        PHE  18  -4.464   3.051  -0.644
  139    HA   PHE  18           HA       PHE  18  -6.639   2.676  -2.454
  140    HB2  PHE  18           HB2      PHE  18  -3.780   1.800  -2.622
  141    HB3  PHE  18           HB3      PHE  18  -4.982   1.572  -3.897
  142    HD1  PHE  18           HD1      PHE  18  -6.386   3.890  -4.163
  143    HD2  PHE  18           HD2      PHE  18  -2.328   3.485  -3.089
  144    HE1  PHE  18           HE1      PHE  18  -5.940   6.143  -5.089
  145    HE2  PHE  18           HE2      PHE  18  -1.840   5.739  -3.984
  146    HZ   PHE  18           HZ       PHE  18  -3.659   7.074  -4.991
  147    H    GLY  19           H        GLY  19  -4.432   0.363  -0.937
  148    HA2  GLY  19           HA2      GLY  19  -5.628  -1.989  -1.872
  149    HA3  GLY  19           HA3      GLY  19  -4.635  -1.826  -0.425
  150    H    LEU  20           H        LEU  20  -5.964  -0.402   1.251
  151    HA   LEU  20           HA       LEU  20  -7.825  -2.218   2.270
  152    HB2  LEU  20           HB2      LEU  20  -6.437  -0.264   3.356
  153    HB3  LEU  20           HB3      LEU  20  -7.966   0.582   3.179
  154    HG   LEU  20           HG       LEU  20  -8.966  -1.496   4.308
  155   HD11  LEU  20          HD11      LEU  20  -6.950  -2.852   4.138
  156   HD12  LEU  20          HD12      LEU  20  -7.433  -2.635   5.831
  157   HD13  LEU  20          HD13      LEU  20  -6.102  -1.691   5.155
  158   HD21  LEU  20          HD21      LEU  20  -7.261   0.464   5.818
  159   HD22  LEU  20          HD22      LEU  20  -8.551  -0.543   6.506
  160   HD23  LEU  20          HD23      LEU  20  -8.942   0.690   5.312
  161    H    ALA  21           H        ALA  21  -8.266   0.615   0.204
  162    HA   ALA  21           HA       ALA  21 -10.968   1.078   0.658
  163    HB1  ALA  21           HB1      ALA  21 -10.986   2.159  -1.513
  164    HB2  ALA  21           HB2      ALA  21  -9.421   1.420  -1.904
  165    HB3  ALA  21           HB3      ALA  21  -9.543   2.597  -0.603
  166    H    ALA  22           H        ALA  22  -9.419  -1.519  -1.050
  167    HA   ALA  22           HA       ALA  22 -11.681  -2.217  -2.657
  168    HB1  ALA  22           HB1      ALA  22 -10.454  -4.282  -3.115
  169    HB2  ALA  22           HB2      ALA  22  -9.301  -3.892  -1.837
  170    HB3  ALA  22           HB3      ALA  22  -9.391  -2.884  -3.274
  171    H    TRP  23           H        TRP  23 -10.534  -3.026   0.517
  172    HA   TRP  23           HA       TRP  23 -12.689  -4.929   0.770
  173    HB2  TRP  23           HB2      TRP  23 -10.144  -4.781   1.928
  174    HB3  TRP  23           HB3      TRP  23 -11.282  -4.515   3.235
  175    HD1  TRP  23           HD1      TRP  23 -12.001  -6.739   4.361
  176    HE1  TRP  23           HE1      TRP  23 -12.444  -9.161   3.560
  177    HE3  TRP  23           HE3      TRP  23 -10.897  -6.180  -0.601
  178    HZ2  TRP  23           HZ2      TRP  23 -12.333 -10.616   1.151
  179    HZ3  TRP  23           HZ3      TRP  23 -11.097  -8.105  -2.083
  180    HH2  TRP  23           HH2      TRP  23 -11.795 -10.297  -1.226
  181    H    ALA  24           H        ALA  24 -11.810  -1.803   1.976
  182    HA   ALA  24           HA       ALA  24 -14.014  -1.680   3.779
  183    HB1  ALA  24           HB1      ALA  24 -12.288   0.564   2.749
  184    HB2  ALA  24           HB2      ALA  24 -11.986  -0.405   4.194
  185    HB3  ALA  24           HB3      ALA  24 -13.400   0.648   4.117
  186    H    LEU  25           H        LEU  25 -13.354   0.042   0.743
  187    HA   LEU  25           HA       LEU  25 -16.037   1.092   0.663
  188    HB2  LEU  25           HB2      LEU  25 -13.597   1.527  -1.000
  189    HB3  LEU  25           HB3      LEU  25 -15.162   2.093  -1.563
  190    HG   LEU  25           HG       LEU  25 -15.270   3.493   0.539
  191   HD11  LEU  25          HD11      LEU  25 -13.206   3.970   1.729
  192   HD12  LEU  25          HD12      LEU  25 -12.385   2.691   0.830
  193   HD13  LEU  25          HD13      LEU  25 -13.698   2.290   1.939
  194   HD21  LEU  25          HD21      LEU  25 -13.726   5.188  -0.279
  195   HD22  LEU  25          HD22      LEU  25 -14.653   4.460  -1.587
  196   HD23  LEU  25          HD23      LEU  25 -12.965   3.994  -1.327
  197    H    LEU  26           H        LEU  26 -14.268  -1.418  -1.019
  198    HA   LEU  26           HA       LEU  26 -16.337  -1.584  -3.051
  199    HB2  LEU  26           HB2      LEU  26 -14.062  -1.580  -3.827
  200    HB3  LEU  26           HB3      LEU  26 -13.663  -2.912  -2.765
  201    HG   LEU  26           HG       LEU  26 -15.236  -4.308  -4.085
  202   HD11  LEU  26          HD11      LEU  26 -16.571  -2.620  -5.149
  203   HD12  LEU  26          HD12      LEU  26 -15.780  -3.603  -6.376
  204   HD13  LEU  26          HD13      LEU  26 -15.162  -1.993  -6.002
  205   HD21  LEU  26          HD21      LEU  26 -13.627  -4.661  -5.939
  206   HD22  LEU  26          HD22      LEU  26 -12.873  -4.545  -4.352
  207   HD23  LEU  26          HD23      LEU  26 -12.812  -3.167  -5.457
  208    H    ALA  27           H        ALA  27 -15.480  -3.173  -0.236
  209    HA   ALA  27           HA       ALA  27 -17.031  -5.523  -1.047
  210    HB1  ALA  27           HB1      ALA  27 -15.014  -5.338   1.182
  211    HB2  ALA  27           HB2      ALA  27 -14.730  -6.016  -0.420
  212    HB3  ALA  27           HB3      ALA  27 -15.860  -6.798   0.673
  Start of MODEL   18
    1    H1   ARG   1           HT1      ARG   1  15.788  -1.567  -3.673
    2    H2   ARG   1           HT2      ARG   1  17.325  -1.133  -4.206
    3    H3   ARG   1           HT3      ARG   1  17.010  -1.349  -2.546
    4    HA   ARG   1           HA       ARG   1  16.865  -3.458  -4.577
    5    HB2  ARG   1           HB2      ARG   1  18.852  -2.968  -2.349
    6    HB3  ARG   1           HB3      ARG   1  18.817  -4.398  -3.351
    7    HG2  ARG   1           HG2      ARG   1  19.244  -2.927  -5.325
    8    HG3  ARG   1           HG3      ARG   1  19.453  -1.589  -4.198
    9    HD2  ARG   1           HD2      ARG   1  21.055  -4.135  -4.259
   10    HD3  ARG   1           HD3      ARG   1  21.586  -2.563  -4.837
   11    HE   ARG   1           HE       ARG   1  21.226  -1.844  -2.430
   12   HH11  ARG   1          HH11      ARG   1  22.241  -5.142  -3.331
   13   HH12  ARG   1          HH12      ARG   1  23.092  -5.401  -1.898
   14   HH21  ARG   1          HH21      ARG   1  22.481  -2.217  -0.510
   15   HH22  ARG   1          HH22      ARG   1  23.298  -3.726  -0.312
   16    H    ASN   2           H        ASN   2  15.443  -4.900  -3.995
   17    HA   ASN   2           HA       ASN   2  14.100  -6.285  -2.825
   18    HB2  ASN   2           HB2      ASN   2  16.098  -6.919  -1.510
   19    HB3  ASN   2           HB3      ASN   2  15.796  -5.562  -0.428
   20   HD21  ASN   2          HD21      ASN   2  13.333  -7.795  -1.729
   21   HD22  ASN   2          HD22      ASN   2  12.935  -8.449  -0.189
   22    H    LYS   3           H        LYS   3  14.730  -3.820  -0.465
   23    HA   LYS   3           HA       LYS   3  11.821  -3.229  -0.371
   24    HB2  LYS   3           HB2      LYS   3  12.860  -4.182   1.733
   25    HB3  LYS   3           HB3      LYS   3  13.854  -2.734   1.811
   26    HG2  LYS   3           HG2      LYS   3  11.460  -1.580   1.572
   27    HG3  LYS   3           HG3      LYS   3  10.972  -3.081   2.340
   28    HD2  LYS   3           HD2      LYS   3  11.313  -1.477   4.054
   29    HD3  LYS   3           HD3      LYS   3  12.673  -2.604   4.120
   30    HE2  LYS   3           HE2      LYS   3  12.984  -0.202   2.420
   31    HE3  LYS   3           HE3      LYS   3  12.988   0.081   4.164
   32    HZ1  LYS   3           HZ1      LYS   3  14.855  -1.483   4.315
   33    HZ2  LYS   3           HZ2      LYS   3  15.209  -0.192   3.331
   34    HZ3  LYS   3           HZ3      LYS   3  14.880  -1.686   2.644
   35    H    LEU   4           H        LEU   4  11.262  -1.059  -0.396
   36    HA   LEU   4           HA       LEU   4  13.369   0.951  -0.450
   37    HB2  LEU   4           HB2      LEU   4  12.726   0.195  -2.778
   38    HB3  LEU   4           HB3      LEU   4  11.133   0.860  -2.475
   39    HG   LEU   4           HG       LEU   4  12.281   3.098  -2.067
   40   HD11  LEU   4          HD11      LEU   4  14.608   1.687  -3.353
   41   HD12  LEU   4          HD12      LEU   4  14.527   2.268  -1.689
   42   HD13  LEU   4          HD13      LEU   4  14.482   3.415  -3.028
   43   HD21  LEU   4          HD21      LEU   4  12.537   1.901  -4.828
   44   HD22  LEU   4          HD22      LEU   4  12.493   3.616  -4.441
   45   HD23  LEU   4          HD23      LEU   4  11.075   2.612  -4.147
   46    H    ALA   5           H        ALA   5  12.554   2.944   0.303
   47    HA   ALA   5           HA       ALA   5  10.621   2.782   2.288
   48    HB1  ALA   5           HB1      ALA   5  11.602   5.268   0.916
   49    HB2  ALA   5           HB2      ALA   5  12.467   4.425   2.192
   50    HB3  ALA   5           HB3      ALA   5  10.896   5.160   2.531
   51    H    TYR   6           H        TYR   6  10.404   4.019  -0.913
   52    HA   TYR   6           HA       TYR   6   7.689   4.860  -0.585
   53    HB2  TYR   6           HB2      TYR   6   9.322   4.645  -3.117
   54    HB3  TYR   6           HB3      TYR   6   7.685   5.268  -3.033
   55    HD1  TYR   6           HD1      TYR   6  11.174   6.013  -2.449
   56    HD2  TYR   6           HD2      TYR   6   7.193   7.316  -1.752
   57    HE1  TYR   6           HE1      TYR   6  12.008   8.254  -1.877
   58    HE2  TYR   6           HE2      TYR   6   8.001   9.538  -1.196
   59    HH   TYR   6           HH       TYR   6  11.133  10.567  -1.890
   60    H    ASN   7           H        ASN   7   9.215   1.999  -1.629
   61    HA   ASN   7           HA       ASN   7   6.841   1.028  -2.875
   62    HB2  ASN   7           HB2      ASN   7   9.413  -0.444  -2.252
   63    HB3  ASN   7           HB3      ASN   7   8.010  -1.204  -2.982
   64   HD21  ASN   7          HD21      ASN   7   8.972  -1.655  -4.919
   65   HD22  ASN   7          HD22      ASN   7   9.453  -0.443  -6.047
   66    H    MET   8           H        MET   8   8.531   0.340   0.113
   67    HA   MET   8           HA       MET   8   6.422  -1.374   0.969
   68    HB2  MET   8           HB2      MET   8   8.651  -1.848   1.715
   69    HB3  MET   8           HB3      MET   8   8.799  -0.258   2.438
   70    HG2  MET   8           HG2      MET   8   8.428  -1.555   4.296
   71    HG3  MET   8           HG3      MET   8   6.804  -1.023   3.918
   72    HE1  MET   8           HE1      MET   8   5.013  -2.614   2.631
   73    HE2  MET   8           HE2      MET   8   5.243  -4.347   2.398
   74    HE3  MET   8           HE3      MET   8   6.121  -3.218   1.382
   75    H    GLY   9           H        GLY   9   7.621   1.742   2.263
   76    HA2  GLY   9           HA2      GLY   9   5.474   1.930   4.076
   77    HA3  GLY   9           HA3      GLY   9   6.682   3.151   3.754
   78    H    HIS  10           H        HIS  10   6.121   3.540   0.999
   79    HA   HIS  10           HA       HIS  10   3.936   5.365   1.382
   80    HB2  HIS  10           HB2      HIS  10   5.941   5.798  -0.096
   81    HB3  HIS  10           HB3      HIS  10   5.224   4.694  -1.268
   82    HD1  HIS  10           HD1      HIS  10   3.975   7.732   0.705
   83    HD2  HIS  10           HD2      HIS  10   3.984   6.119  -3.116
   84    HE1  HIS  10           HE1      HIS  10   2.669   9.282  -0.646
   85    H    TYR  11           H        TYR  11   4.252   2.287  -0.363
   86    HA   TYR  11           HA       TYR  11   1.552   2.337  -1.241
   87    HB2  TYR  11           HB2      TYR  11   3.553   0.124  -1.072
   88    HB3  TYR  11           HB3      TYR  11   1.875  -0.218  -1.458
   89    HD1  TYR  11           HD1      TYR  11   4.962   1.196  -2.629
   90    HD2  TYR  11           HD2      TYR  11   0.880   0.629  -3.493
   91    HE1  TYR  11           HE1      TYR  11   5.399   1.773  -5.005
   92    HE2  TYR  11           HE2      TYR  11   1.245   1.194  -5.828
   93    HH   TYR  11           HH       TYR  11   4.361   1.398  -7.182
   94    H    ALA  12           H        ALA  12   3.080   1.241   1.687
   95    HA   ALA  12           HA       ALA  12   0.982  -0.272   2.727
   96    HB1  ALA  12           HB1      ALA  12   3.228  -0.144   3.737
   97    HB2  ALA  12           HB2      ALA  12   1.947   0.151   4.913
   98    HB3  ALA  12           HB3      ALA  12   2.876   1.504   4.264
   99    H    GLY  13           H        GLY  13   1.460   3.176   2.595
  100    HA2  GLY  13           HA2      GLY  13  -0.794   3.805   4.234
  101    HA3  GLY  13           HA3      GLY  13   0.052   4.909   3.153
  102    H    LYS  14           H        LYS  14  -0.242   3.693   0.742
  103    HA   LYS  14           HA       LYS  14  -2.866   4.550   0.127
  104    HB2  LYS  14           HB2      LYS  14  -0.631   3.580  -1.597
  105    HB3  LYS  14           HB3      LYS  14  -2.253   3.673  -2.269
  106    HG2  LYS  14           HG2      LYS  14  -1.132   5.687  -2.828
  107    HG3  LYS  14           HG3      LYS  14  -2.325   6.063  -1.593
  108    HD2  LYS  14           HD2      LYS  14  -0.501   5.965   0.105
  109    HD3  LYS  14           HD3      LYS  14   0.657   5.768  -1.209
  110    HE2  LYS  14           HE2      LYS  14  -1.191   8.109  -0.767
  111    HE3  LYS  14           HE3      LYS  14   0.548   8.089  -0.520
  112    HZ1  LYS  14           HZ1      LYS  14   0.870   7.800  -2.901
  113    HZ2  LYS  14           HZ2      LYS  14  -0.156   9.121  -2.668
  114    HZ3  LYS  14           HZ3      LYS  14  -0.774   7.653  -3.130
  115    H    ALA  15           H        ALA  15  -1.441   1.362   0.272
  116    HA   ALA  15           HA       ALA  15  -3.710   0.117  -0.869
  117    HB1  ALA  15           HB1      ALA  15  -1.542  -0.988  -0.879
  118    HB2  ALA  15           HB2      ALA  15  -2.776  -1.966  -0.071
  119    HB3  ALA  15           HB3      ALA  15  -1.578  -1.092   0.889
  120    H    THR  16           H        THR  16  -2.874   1.112   2.339
  121    HA   THR  16           HA       THR  16  -4.979  -0.425   3.477
  122    HB   THR  16           HB       THR  16  -3.590   1.914   4.809
  123    HG1  THR  16           HG1      THR  16  -1.927   0.530   4.521
  124   HG21  THR  16          HG21      THR  16  -4.206   0.705   6.875
  125   HG22  THR  16          HG22      THR  16  -4.973  -0.546   5.892
  126   HG23  THR  16          HG23      THR  16  -5.644   1.088   5.916
  127    H    ILE  17           H        ILE  17  -4.653   2.918   2.347
  128    HA   ILE  17           HA       ILE  17  -7.313   3.428   3.245
  129    HB   ILE  17           HB       ILE  17  -5.855   5.337   3.230
  130   HG12  ILE  17          HG12      ILE  17  -7.203   6.987   1.918
  131   HG13  ILE  17          HG13      ILE  17  -8.009   5.640   1.129
  132   HG21  ILE  17          HG21      ILE  17  -4.344   4.769   1.476
  133   HG22  ILE  17          HG22      ILE  17  -5.008   6.385   1.184
  134   HG23  ILE  17          HG23      ILE  17  -5.607   4.997   0.265
  135   HD11  ILE  17          HD11      ILE  17  -8.913   4.913   3.274
  136   HD12  ILE  17          HD12      ILE  17  -9.357   6.584   2.933
  137   HD13  ILE  17          HD13      ILE  17  -8.064   6.229   4.078
  138    H    PHE  18           H        PHE  18  -5.945   3.003  -0.035
  139    HA   PHE  18           HA       PHE  18  -8.587   3.052  -1.126
  140    HB2  PHE  18           HB2      PHE  18  -5.956   2.464  -2.478
  141    HB3  PHE  18           HB3      PHE  18  -7.505   2.640  -3.300
  142    HD1  PHE  18           HD1      PHE  18  -8.719   4.931  -2.088
  143    HD2  PHE  18           HD2      PHE  18  -4.622   4.259  -3.008
  144    HE1  PHE  18           HE1      PHE  18  -8.365   7.362  -2.250
  145    HE2  PHE  18           HE2      PHE  18  -4.263   6.678  -3.176
  146    HZ   PHE  18           HZ       PHE  18  -6.137   8.240  -2.798
  147    H    GLY  19           H        GLY  19  -6.035   0.590  -1.226
  148    HA2  GLY  19           HA2      GLY  19  -7.496  -1.519  -2.263
  149    HA3  GLY  19           HA3      GLY  19  -6.106  -1.680  -1.199
  150    H    LEU  20           H        LEU  20  -6.879  -0.881   1.159
  151    HA   LEU  20           HA       LEU  20  -8.440  -3.016   2.042
  152    HB2  LEU  20           HB2      LEU  20  -6.776  -1.352   3.252
  153    HB3  LEU  20           HB3      LEU  20  -8.288  -0.624   3.748
  154    HG   LEU  20           HG       LEU  20  -8.961  -2.974   4.461
  155   HD11  LEU  20          HD11      LEU  20  -5.996  -3.276   4.322
  156   HD12  LEU  20          HD12      LEU  20  -7.153  -4.099   3.275
  157   HD13  LEU  20          HD13      LEU  20  -7.114  -4.459   5.012
  158   HD21  LEU  20          HD21      LEU  20  -8.474  -1.175   6.034
  159   HD22  LEU  20          HD22      LEU  20  -6.751  -1.562   5.947
  160   HD23  LEU  20          HD23      LEU  20  -7.901  -2.736   6.613
  161    H    ALA  21           H        ALA  21  -9.395   0.280   1.136
  162    HA   ALA  21           HA       ALA  21 -11.940   0.292   2.324
  163    HB1  ALA  21           HB1      ALA  21 -10.897   2.327   1.431
  164    HB2  ALA  21           HB2      ALA  21 -12.496   2.056   0.730
  165    HB3  ALA  21           HB3      ALA  21 -11.046   1.679  -0.200
  166    H    ALA  22           H        ALA  22 -10.712  -1.264  -0.484
  167    HA   ALA  22           HA       ALA  22 -13.225  -1.751  -1.709
  168    HB1  ALA  22           HB1      ALA  22 -11.146  -1.892  -2.985
  169    HB2  ALA  22           HB2      ALA  22 -12.059  -3.402  -3.060
  170    HB3  ALA  22           HB3      ALA  22 -10.641  -3.278  -2.010
  171    H    TRP  23           H        TRP  23 -11.395  -3.312   0.807
  172    HA   TRP  23           HA       TRP  23 -13.238  -5.534   0.716
  173    HB2  TRP  23           HB2      TRP  23 -10.557  -5.423   1.404
  174    HB3  TRP  23           HB3      TRP  23 -11.390  -5.552   2.941
  175    HD1  TRP  23           HD1      TRP  23 -11.423  -8.046   3.637
  176    HE1  TRP  23           HE1      TRP  23 -12.032 -10.264   2.476
  177    HE3  TRP  23           HE3      TRP  23 -12.222  -6.298  -1.103
  178    HZ2  TRP  23           HZ2      TRP  23 -12.746 -11.150  -0.107
  179    HZ3  TRP  23           HZ3      TRP  23 -12.883  -7.863  -2.847
  180    HH2  TRP  23           HH2      TRP  23 -13.134 -10.260  -2.374
  181    H    ALA  24           H        ALA  24 -12.381  -2.890   2.822
  182    HA   ALA  24           HA       ALA  24 -14.281  -3.660   4.803
  183    HB1  ALA  24           HB1      ALA  24 -13.799  -1.514   5.839
  184    HB2  ALA  24           HB2      ALA  24 -12.893  -1.016   4.408
  185    HB3  ALA  24           HB3      ALA  24 -12.320  -2.360   5.395
  186    H    LEU  25           H        LEU  25 -14.220  -0.939   2.532
  187    HA   LEU  25           HA       LEU  25 -16.935  -0.289   3.199
  188    HB2  LEU  25           HB2      LEU  25 -14.883   1.051   1.499
  189    HB3  LEU  25           HB3      LEU  25 -16.556   1.585   1.457
  190    HG   LEU  25           HG       LEU  25 -15.393   3.073   2.877
  191   HD11  LEU  25          HD11      LEU  25 -16.802   1.134   4.675
  192   HD12  LEU  25          HD12      LEU  25 -17.540   2.451   3.765
  193   HD13  LEU  25          HD13      LEU  25 -16.397   2.802   5.064
  194   HD21  LEU  25          HD21      LEU  25 -14.245   0.699   4.337
  195   HD22  LEU  25          HD22      LEU  25 -14.021   2.394   4.791
  196   HD23  LEU  25          HD23      LEU  25 -13.355   1.796   3.275
  197    H    LEU  26           H        LEU  26 -15.363  -1.860   0.492
  198    HA   LEU  26           HA       LEU  26 -17.722  -1.477  -1.157
  199    HB2  LEU  26           HB2      LEU  26 -15.583  -1.061  -2.189
  200    HB3  LEU  26           HB3      LEU  26 -15.025  -2.649  -1.720
  201    HG   LEU  26           HG       LEU  26 -16.795  -3.575  -3.204
  202   HD11  LEU  26          HD11      LEU  26 -18.200  -1.649  -3.479
  203   HD12  LEU  26          HD12      LEU  26 -17.592  -2.162  -5.055
  204   HD13  LEU  26          HD13      LEU  26 -16.894  -0.755  -4.260
  205   HD21  LEU  26          HD21      LEU  26 -15.406  -3.296  -5.243
  206   HD22  LEU  26          HD22      LEU  26 -14.476  -3.667  -3.800
  207   HD23  LEU  26          HD23      LEU  26 -14.521  -2.010  -4.419
  208    H    ALA  27           H        ALA  27 -16.448  -3.802   0.852
  209    HA   ALA  27           HA       ALA  27 -18.047  -5.890  -0.458
  210    HB1  ALA  27           HB1      ALA  27 -15.659  -6.445  -0.307
  211    HB2  ALA  27           HB2      ALA  27 -16.643  -7.555   0.640
  212    HB3  ALA  27           HB3      ALA  27 -15.732  -6.284   1.448
  Start of MODEL   19
    1    H1   ARG   1           HT1      ARG   1 -13.580 -11.675   1.701
    2    H2   ARG   1           HT2      ARG   1 -12.282 -10.863   0.968
    3    H3   ARG   1           HT3      ARG   1 -12.946 -12.224   0.246
    4    HA   ARG   1           HA       ARG   1 -13.576 -10.206  -0.861
    5    HB2  ARG   1           HB2      ARG   1 -15.054 -12.261  -0.740
    6    HB3  ARG   1           HB3      ARG   1 -15.941 -11.457   0.546
    7    HG2  ARG   1           HG2      ARG   1 -16.391  -9.592  -1.066
    8    HG3  ARG   1           HG3      ARG   1 -15.718 -10.616  -2.340
    9    HD2  ARG   1           HD2      ARG   1 -18.104 -10.851  -2.352
   10    HD3  ARG   1           HD3      ARG   1 -17.401 -12.344  -1.732
   11    HE   ARG   1           HE       ARG   1 -18.510 -10.237   0.006
   12   HH11  ARG   1          HH11      ARG   1 -18.117 -13.701  -0.746
   13   HH12  ARG   1          HH12      ARG   1 -19.143 -14.196   0.506
   14   HH21  ARG   1          HH21      ARG   1 -19.865 -11.001   1.791
   15   HH22  ARG   1          HH22      ARG   1 -20.067 -12.678   1.966
   16    H    ASN   2           H        ASN   2 -13.368  -9.864   2.408
   17    HA   ASN   2           HA       ASN   2 -15.302  -7.743   2.564
   18    HB2  ASN   2           HB2      ASN   2 -14.953  -9.304   4.504
   19    HB3  ASN   2           HB3      ASN   2 -13.355  -8.610   4.722
   20   HD21  ASN   2          HD21      ASN   2 -15.749  -8.654   6.471
   21   HD22  ASN   2          HD22      ASN   2 -16.057  -6.999   6.876
   22    H    LYS   3           H        LYS   3 -14.721  -6.190   1.386
   23    HA   LYS   3           HA       LYS   3 -12.109  -4.878   1.751
   24    HB2  LYS   3           HB2      LYS   3 -12.334  -4.214  -0.598
   25    HB3  LYS   3           HB3      LYS   3 -12.165  -5.957  -0.399
   26    HG2  LYS   3           HG2      LYS   3 -14.453  -6.319  -0.722
   27    HG3  LYS   3           HG3      LYS   3 -14.756  -4.584  -0.529
   28    HD2  LYS   3           HD2      LYS   3 -13.143  -5.695  -2.800
   29    HD3  LYS   3           HD3      LYS   3 -14.896  -5.480  -2.896
   30    HE2  LYS   3           HE2      LYS   3 -14.555  -3.106  -2.239
   31    HE3  LYS   3           HE3      LYS   3 -12.826  -3.353  -2.392
   32    HZ1  LYS   3           HZ1      LYS   3 -13.838  -2.426  -4.439
   33    HZ2  LYS   3           HZ2      LYS   3 -14.775  -3.823  -4.574
   34    HZ3  LYS   3           HZ3      LYS   3 -13.113  -3.923  -4.708
   35    H    LEU   4           H        LEU   4 -12.379  -2.665   0.609
   36    HA   LEU   4           HA       LEU   4 -14.856  -1.322   0.692
   37    HB2  LEU   4           HB2      LEU   4 -14.156  -1.555   3.102
   38    HB3  LEU   4           HB3      LEU   4 -12.743  -0.576   2.739
   39    HG   LEU   4           HG       LEU   4 -14.414   1.239   2.008
   40   HD11  LEU   4          HD11      LEU   4 -16.619   1.131   2.966
   41   HD12  LEU   4          HD12      LEU   4 -16.287  -0.474   3.610
   42   HD13  LEU   4          HD13      LEU   4 -16.390  -0.236   1.871
   43   HD21  LEU   4          HD21      LEU   4 -14.324   0.421   4.915
   44   HD22  LEU   4          HD22      LEU   4 -14.764   2.011   4.310
   45   HD23  LEU   4          HD23      LEU   4 -13.129   1.407   4.073
   46    H    ALA   5           H        ALA   5 -14.378   0.882  -0.055
   47    HA   ALA   5           HA       ALA   5 -12.409   0.945  -2.038
   48    HB1  ALA   5           HB1      ALA   5 -13.881   3.253  -0.793
   49    HB2  ALA   5           HB2      ALA   5 -14.489   2.232  -2.093
   50    HB3  ALA   5           HB3      ALA   5 -13.071   3.249  -2.362
   51    H    TYR   6           H        TYR   6 -12.434   2.022   1.219
   52    HA   TYR   6           HA       TYR   6  -9.857   3.283   0.935
   53    HB2  TYR   6           HB2      TYR   6 -11.614   2.930   3.355
   54    HB3  TYR   6           HB3      TYR   6  -9.997   3.616   3.438
   55    HD1  TYR   6           HD1      TYR   6  -9.481   5.723   2.312
   56    HD2  TYR   6           HD2      TYR   6 -13.452   4.221   2.522
   57    HE1  TYR   6           HE1      TYR   6 -10.332   7.943   1.747
   58    HE2  TYR   6           HE2      TYR   6 -14.325   6.453   1.941
   59    HH   TYR   6           HH       TYR   6 -12.399   8.849   0.688
   60    H    ASN   7           H        ASN   7 -11.025   0.251   1.670
   61    HA   ASN   7           HA       ASN   7  -8.714  -0.653   3.096
   62    HB2  ASN   7           HB2      ASN   7 -10.754  -1.812   3.563
   63    HB3  ASN   7           HB3      ASN   7 -11.038  -2.141   1.861
   64   HD21  ASN   7          HD21      ASN   7  -9.194  -3.035   4.698
   65   HD22  ASN   7          HD22      ASN   7  -8.642  -4.545   4.097
   66    H    MET   8           H        MET   8 -10.006  -1.410  -0.105
   67    HA   MET   8           HA       MET   8  -7.449  -2.426  -0.811
   68    HB2  MET   8           HB2      MET   8  -9.971  -2.145  -2.412
   69    HB3  MET   8           HB3      MET   8  -8.469  -2.746  -3.113
   70    HG2  MET   8           HG2      MET   8  -9.684  -4.006  -0.683
   71    HG3  MET   8           HG3      MET   8 -10.261  -4.402  -2.293
   72    HE1  MET   8           HE1      MET   8  -7.204  -4.506   0.200
   73    HE2  MET   8           HE2      MET   8  -6.282  -3.875  -1.187
   74    HE3  MET   8           HE3      MET   8  -6.060  -5.521  -0.655
   75    H    GLY   9           H        GLY   9  -9.319   0.268  -2.161
   76    HA2  GLY   9           HA2      GLY   9  -7.289   1.110  -3.915
   77    HA3  GLY   9           HA3      GLY   9  -8.689   2.048  -3.439
   78    H    HIS  10           H        HIS  10  -8.248   2.445  -0.802
   79    HA   HIS  10           HA       HIS  10  -6.378   4.606  -0.883
   80    HB2  HIS  10           HB2      HIS  10  -8.404   4.535   0.528
   81    HB3  HIS  10           HB3      HIS  10  -7.608   3.351   1.569
   82    HD1  HIS  10           HD1      HIS  10  -6.974   6.875   0.262
   83    HD2  HIS  10           HD2      HIS  10  -6.330   4.495   3.585
   84    HE1  HIS  10           HE1      HIS  10  -5.857   8.306   1.846
   85    H    TYR  11           H        TYR  11  -6.157   1.374   0.597
   86    HA   TYR  11           HA       TYR  11  -3.531   1.807   1.544
   87    HB2  TYR  11           HB2      TYR  11  -5.166  -0.626   1.131
   88    HB3  TYR  11           HB3      TYR  11  -3.443  -0.805   1.420
   89    HD1  TYR  11           HD1      TYR  11  -2.500  -0.374   3.554
   90    HD2  TYR  11           HD2      TYR  11  -6.634   0.285   2.882
   91    HE1  TYR  11           HE1      TYR  11  -2.842  -0.204   5.965
   92    HE2  TYR  11           HE2      TYR  11  -7.002   0.456   5.312
   93    HH   TYR  11           HH       TYR  11  -5.908  -0.266   7.425
   94    H    ALA  12           H        ALA  12  -4.765   0.612  -1.526
   95    HA   ALA  12           HA       ALA  12  -2.394  -0.388  -2.583
   96    HB1  ALA  12           HB1      ALA  12  -3.347   0.041  -4.789
   97    HB2  ALA  12           HB2      ALA  12  -4.553   1.106  -4.068
   98    HB3  ALA  12           HB3      ALA  12  -4.567  -0.622  -3.697
   99    H    GLY  13           H        GLY  13  -3.611   2.885  -2.490
  100    HA2  GLY  13           HA2      GLY  13  -1.550   4.083  -3.993
  101    HA3  GLY  13           HA3      GLY  13  -2.594   4.903  -2.843
  102    H    LYS  14           H        LYS  14  -1.902   3.540  -0.528
  103    HA   LYS  14           HA       LYS  14   0.497   4.984   0.045
  104    HB2  LYS  14           HB2      LYS  14  -1.449   3.512   1.748
  105    HB3  LYS  14           HB3      LYS  14   0.136   3.890   2.398
  106    HG2  LYS  14           HG2      LYS  14  -1.388   5.608   3.076
  107    HG3  LYS  14           HG3      LYS  14  -0.285   6.285   1.886
  108    HD2  LYS  14           HD2      LYS  14  -2.021   5.993   0.163
  109    HD3  LYS  14           HD3      LYS  14  -3.127   5.411   1.411
  110    HE2  LYS  14           HE2      LYS  14  -1.818   8.118   1.287
  111    HE3  LYS  14           HE3      LYS  14  -3.520   7.775   0.972
  112    HZ1  LYS  14           HZ1      LYS  14  -3.214   8.642   3.156
  113    HZ2  LYS  14           HZ2      LYS  14  -2.086   7.465   3.540
  114    HZ3  LYS  14           HZ3      LYS  14  -3.693   7.033   3.326
  115    H    ALA  15           H        ALA  15  -0.360   1.618  -0.244
  116    HA   ALA  15           HA       ALA  15   2.055   0.663   0.827
  117    HB1  ALA  15           HB1      ALA  15   1.469  -1.475  -0.121
  118    HB2  ALA  15           HB2      ALA  15   0.164  -0.726  -1.059
  119    HB3  ALA  15           HB3      ALA  15   0.083  -0.759   0.705
  120    H    THR  16           H        THR  16   1.160   1.701  -2.360
  121    HA   THR  16           HA       THR  16   3.537   0.582  -3.477
  122    HB   THR  16           HB       THR  16   1.817   2.724  -4.747
  123    HG1  THR  16           HG1      THR  16   1.226   0.184  -4.136
  124   HG21  THR  16          HG21      THR  16   4.031   2.431  -5.752
  125   HG22  THR  16          HG22      THR  16   2.785   1.787  -6.836
  126   HG23  THR  16          HG23      THR  16   3.761   0.697  -5.844
  127    H    ILE  17           H        ILE  17   2.645   3.794  -2.267
  128    HA   ILE  17           HA       ILE  17   5.219   4.754  -3.059
  129    HB   ILE  17           HB       ILE  17   3.444   6.403  -3.053
  130   HG12  ILE  17          HG12      ILE  17   5.422   7.012  -0.849
  131   HG13  ILE  17          HG13      ILE  17   5.701   7.234  -2.569
  132   HG21  ILE  17          HG21      ILE  17   3.150   5.941  -0.091
  133   HG22  ILE  17          HG22      ILE  17   1.978   5.537  -1.352
  134   HG23  ILE  17          HG23      ILE  17   2.357   7.218  -1.011
  135   HD11  ILE  17          HD11      ILE  17   5.219   9.353  -1.489
  136   HD12  ILE  17          HD12      ILE  17   3.684   8.727  -0.892
  137   HD13  ILE  17          HD13      ILE  17   3.936   8.937  -2.626
  138    H    PHE  18           H        PHE  18   3.799   4.053   0.130
  139    HA   PHE  18           HA       PHE  18   6.340   4.435   1.387
  140    HB2  PHE  18           HB2      PHE  18   3.734   3.488   2.528
  141    HB3  PHE  18           HB3      PHE  18   5.173   3.885   3.484
  142    HD1  PHE  18           HD1      PHE  18   6.166   6.270   2.611
  143    HD2  PHE  18           HD2      PHE  18   2.109   5.050   2.630
  144    HE1  PHE  18           HE1      PHE  18   5.473   8.627   2.668
  145    HE2  PHE  18           HE2      PHE  18   1.386   7.411   2.687
  146    HZ   PHE  18           HZ       PHE  18   3.084   9.205   2.697
  147    H    GLY  19           H        GLY  19   4.123   1.669   1.304
  148    HA2  GLY  19           HA2      GLY  19   5.734  -0.256   2.451
  149    HA3  GLY  19           HA3      GLY  19   4.457  -0.562   1.284
  150    H    LEU  20           H        LEU  20   5.373   0.406  -0.995
  151    HA   LEU  20           HA       LEU  20   7.244  -1.527  -1.776
  152    HB2  LEU  20           HB2      LEU  20   5.532   0.030  -3.116
  153    HB3  LEU  20           HB3      LEU  20   7.032   0.866  -3.466
  154    HG   LEU  20           HG       LEU  20   7.916  -1.460  -4.094
  155   HD11  LEU  20          HD11      LEU  20   6.028  -2.691  -3.163
  156   HD12  LEU  20          HD12      LEU  20   6.211  -3.018  -4.892
  157   HD13  LEU  20          HD13      LEU  20   4.962  -1.902  -4.321
  158   HD21  LEU  20          HD21      LEU  20   5.862  -0.073  -5.808
  159   HD22  LEU  20          HD22      LEU  20   7.110  -1.195  -6.379
  160   HD23  LEU  20          HD23      LEU  20   7.571   0.355  -5.679
  161    H    ALA  21           H        ALA  21   7.683   1.852  -0.763
  162    HA   ALA  21           HA       ALA  21  10.375   2.066  -1.596
  163    HB1  ALA  21           HB1      ALA  21   8.975   3.467   0.681
  164    HB2  ALA  21           HB2      ALA  21   9.023   4.031  -0.988
  165    HB3  ALA  21           HB3      ALA  21  10.507   3.952  -0.041
  166    H    ALA  22           H        ALA  22   8.829   0.635   1.120
  167    HA   ALA  22           HA       ALA  22  11.179   0.277   2.686
  168    HB1  ALA  22           HB1      ALA  22   9.862  -1.302   3.982
  169    HB2  ALA  22           HB2      ALA  22   8.593  -1.280   2.755
  170    HB3  ALA  22           HB3      ALA  22   8.939   0.174   3.694
  171    H    TRP  23           H        TRP  23   9.672  -1.447   0.117
  172    HA   TRP  23           HA       TRP  23  11.405  -3.724   0.526
  173    HB2  TRP  23           HB2      TRP  23   8.858  -3.422  -0.543
  174    HB3  TRP  23           HB3      TRP  23   9.892  -3.845  -1.912
  175    HD1  TRP  23           HD1      TRP  23   9.756  -6.373  -2.253
  176    HE1  TRP  23           HE1      TRP  23   9.842  -8.441  -0.723
  177    HE3  TRP  23           HE3      TRP  23   9.938  -4.009   2.264
  178    HZ2  TRP  23           HZ2      TRP  23   9.974  -8.976   2.062
  179    HZ3  TRP  23           HZ3      TRP  23  10.059  -5.326   4.297
  180    HH2  TRP  23           HH2      TRP  23  10.086  -7.770   4.216
  181    H    ALA  24           H        ALA  24  10.933  -1.227  -1.902
  182    HA   ALA  24           HA       ALA  24  13.106  -2.170  -3.460
  183    HB1  ALA  24           HB1      ALA  24  11.673   0.464  -3.540
  184    HB2  ALA  24           HB2      ALA  24  11.241  -0.966  -4.471
  185    HB3  ALA  24           HB3      ALA  24  12.776  -0.139  -4.773
  186    H    LEU  25           H        LEU  25  12.635   0.750  -1.521
  187    HA   LEU  25           HA       LEU  25  15.384   1.524  -1.842
  188    HB2  LEU  25           HB2      LEU  25  13.115   2.818  -0.386
  189    HB3  LEU  25           HB3      LEU  25  14.725   3.516  -0.571
  190    HG   LEU  25           HG       LEU  25  12.707   2.926  -2.744
  191   HD11  LEU  25          HD11      LEU  25  12.129   4.845  -1.401
  192   HD12  LEU  25          HD12      LEU  25  12.618   5.336  -3.026
  193   HD13  LEU  25          HD13      LEU  25  13.727   5.542  -1.671
  194   HD21  LEU  25          HD21      LEU  25  14.965   2.576  -3.604
  195   HD22  LEU  25          HD22      LEU  25  15.461   4.143  -2.974
  196   HD23  LEU  25          HD23      LEU  25  14.262   4.048  -4.268
  197    H    LEU  26           H        LEU  26  13.599  -0.088   0.680
  198    HA   LEU  26           HA       LEU  26  15.708   0.571   2.595
  199    HB2  LEU  26           HB2      LEU  26  13.439   1.022   3.329
  200    HB3  LEU  26           HB3      LEU  26  12.976  -0.623   2.957
  201    HG   LEU  26           HG       LEU  26  14.556  -1.358   4.712
  202   HD11  LEU  26          HD11      LEU  26  15.196   0.259   6.450
  203   HD12  LEU  26          HD12      LEU  26  14.559   1.563   5.440
  204   HD13  LEU  26          HD13      LEU  26  15.937   0.610   4.888
  205   HD21  LEU  26          HD21      LEU  26  12.180  -1.363   5.113
  206   HD22  LEU  26          HD22      LEU  26  12.207   0.349   5.530
  207   HD23  LEU  26          HD23      LEU  26  13.008  -0.829   6.575
  208    H    ALA  27           H        ALA  27  14.685  -1.891   0.630
  209    HA   ALA  27           HA       ALA  27  16.154  -3.895   2.212
  210    HB1  ALA  27           HB1      ALA  27  14.073  -4.417   0.093
  211    HB2  ALA  27           HB2      ALA  27  13.769  -4.449   1.825
  212    HB3  ALA  27           HB3      ALA  27  14.857  -5.634   1.102
  Start of MODEL   20
    1    H1   ARG   1           HT1      ARG   1  18.650  -9.880  -0.781
    2    H2   ARG   1           HT2      ARG   1  17.978  -9.767  -2.340
    3    H3   ARG   1           HT3      ARG   1  17.086 -10.428  -1.102
    4    HA   ARG   1           HA       ARG   1  17.023  -8.327   0.053
    5    HB2  ARG   1           HB2      ARG   1  18.283  -7.331  -2.505
    6    HB3  ARG   1           HB3      ARG   1  17.756  -6.341  -1.155
    7    HG2  ARG   1           HG2      ARG   1  19.492  -7.239   0.247
    8    HG3  ARG   1           HG3      ARG   1  19.967  -8.394  -0.991
    9    HD2  ARG   1           HD2      ARG   1  20.152  -5.390  -1.150
   10    HD3  ARG   1           HD3      ARG   1  21.488  -6.536  -1.012
   11    HE   ARG   1           HE       ARG   1  20.329  -7.365  -3.240
   12   HH11  ARG   1          HH11      ARG   1  21.296  -4.137  -2.191
   13   HH12  ARG   1          HH12      ARG   1  21.496  -3.495  -3.742
   14   HH21  ARG   1          HH21      ARG   1  20.631  -6.506  -5.447
   15   HH22  ARG   1          HH22      ARG   1  21.127  -4.893  -5.631
   16    H    ASN   2           H        ASN   2  15.309  -6.782  -0.599
   17    HA   ASN   2           HA       ASN   2  13.935  -7.037  -3.080
   18    HB2  ASN   2           HB2      ASN   2  13.415  -9.292  -2.149
   19    HB3  ASN   2           HB3      ASN   2  12.652  -8.522  -0.769
   20   HD21  ASN   2          HD21      ASN   2  12.416  -7.607  -4.207
   21   HD22  ASN   2          HD22      ASN   2  10.718  -7.903  -4.308
   22    H    LYS   3           H        LYS   3  13.839  -6.327   0.299
   23    HA   LYS   3           HA       LYS   3  11.546  -4.581   0.046
   24    HB2  LYS   3           HB2      LYS   3  11.926  -6.083   1.987
   25    HB3  LYS   3           HB3      LYS   3  13.318  -5.108   2.419
   26    HG2  LYS   3           HG2      LYS   3  11.523  -3.152   2.350
   27    HG3  LYS   3           HG3      LYS   3  10.407  -4.490   2.616
   28    HD2  LYS   3           HD2      LYS   3  11.010  -3.552   4.735
   29    HD3  LYS   3           HD3      LYS   3  11.758  -5.145   4.594
   30    HE2  LYS   3           HE2      LYS   3  13.888  -4.117   3.973
   31    HE3  LYS   3           HE3      LYS   3  13.147  -2.522   4.005
   32    HZ1  LYS   3           HZ1      LYS   3  12.805  -2.805   6.389
   33    HZ2  LYS   3           HZ2      LYS   3  14.421  -3.023   5.990
   34    HZ3  LYS   3           HZ3      LYS   3  13.451  -4.358   6.302
   35    H    LEU   4           H        LEU   4  11.640  -2.389   0.696
   36    HA   LEU   4           HA       LEU   4  14.014  -0.928   1.235
   37    HB2  LEU   4           HB2      LEU   4  14.158  -1.151  -1.201
   38    HB3  LEU   4           HB3      LEU   4  12.517  -0.566  -1.390
   39    HG   LEU   4           HG       LEU   4  13.373   1.633  -0.387
   40   HD11  LEU   4          HD11      LEU   4  15.711   2.081  -0.497
   41   HD12  LEU   4          HD12      LEU   4  16.032   0.452  -1.075
   42   HD13  LEU   4          HD13      LEU   4  15.442   0.698   0.567
   43   HD21  LEU   4          HD21      LEU   4  12.885   1.377  -2.761
   44   HD22  LEU   4          HD22      LEU   4  14.496   0.711  -3.021
   45   HD23  LEU   4          HD23      LEU   4  14.310   2.388  -2.517
   46    H    ALA   5           H        ALA   5  13.310   1.326   1.607
   47    HA   ALA   5           HA       ALA   5  11.079   1.502   3.196
   48    HB1  ALA   5           HB1      ALA   5  12.446   3.758   1.755
   49    HB2  ALA   5           HB2      ALA   5  13.010   3.002   3.240
   50    HB3  ALA   5           HB3      ALA   5  11.479   3.886   3.233
   51    H    TYR   6           H        TYR   6  11.416   2.273  -0.154
   52    HA   TYR   6           HA       TYR   6   8.767   3.293  -0.417
   53    HB2  TYR   6           HB2      TYR   6  10.704   2.417  -2.545
   54    HB3  TYR   6           HB3      TYR   6   9.115   3.071  -2.886
   55    HD1  TYR   6           HD1      TYR   6   8.589   5.384  -2.408
   56    HD2  TYR   6           HD2      TYR   6  12.496   3.849  -1.803
   57    HE1  TYR   6           HE1      TYR   6   9.466   7.675  -2.334
   58    HE2  TYR   6           HE2      TYR   6  13.386   6.136  -1.718
   59    HH   TYR   6           HH       TYR   6  12.815   8.318  -2.492
   60    H    ASN   7           H        ASN   7  10.148   0.183  -0.637
   61    HA   ASN   7           HA       ASN   7   7.983  -1.000  -2.066
   62    HB2  ASN   7           HB2      ASN   7  10.243  -2.229  -0.487
   63    HB3  ASN   7           HB3      ASN   7   8.988  -3.198  -1.248
   64   HD21  ASN   7          HD21      ASN   7   9.051  -3.480  -3.456
   65   HD22  ASN   7          HD22      ASN   7  10.315  -2.859  -4.456
   66    H    MET   8           H        MET   8   8.991  -1.352   1.287
   67    HA   MET   8           HA       MET   8   6.360  -2.323   1.871
   68    HB2  MET   8           HB2      MET   8   8.154  -3.367   3.071
   69    HB3  MET   8           HB3      MET   8   8.655  -1.830   3.753
   70    HG2  MET   8           HG2      MET   8   7.394  -3.319   5.320
   71    HG3  MET   8           HG3      MET   8   6.736  -1.700   5.132
   72    HE1  MET   8           HE1      MET   8   6.259  -4.421   2.348
   73    HE2  MET   8           HE2      MET   8   4.836  -5.298   2.914
   74    HE3  MET   8           HE3      MET   8   6.363  -5.430   3.796
   75    H    GLY   9           H        GLY   9   8.144   0.520   3.040
   76    HA2  GLY   9           HA2      GLY   9   6.015   1.474   4.617
   77    HA3  GLY   9           HA3      GLY   9   7.438   2.381   4.150
   78    H    HIS  10           H        HIS  10   7.158   2.531   1.432
   79    HA   HIS  10           HA       HIS  10   5.222   4.637   1.227
   80    HB2  HIS  10           HB2      HIS  10   7.343   4.579  -0.081
   81    HB3  HIS  10           HB3      HIS  10   6.663   3.274  -1.059
   82    HD1  HIS  10           HD1      HIS  10   5.704   6.808  -0.046
   83    HD2  HIS  10           HD2      HIS  10   5.501   4.188  -3.250
   84    HE1  HIS  10           HE1      HIS  10   4.595   8.055  -1.798
   85    H    TYR  11           H        TYR  11   5.295   1.322  -0.002
   86    HA   TYR  11           HA       TYR  11   2.778   1.562  -1.227
   87    HB2  TYR  11           HB2      TYR  11   4.493  -0.762  -0.582
   88    HB3  TYR  11           HB3      TYR  11   2.799  -1.027  -0.971
   89    HD1  TYR  11           HD1      TYR  11   1.915  -0.297  -3.100
   90    HD2  TYR  11           HD2      TYR  11   6.045  -0.226  -2.257
   91    HE1  TYR  11           HE1      TYR  11   2.343  -0.175  -5.487
   92    HE2  TYR  11           HE2      TYR  11   6.547  -0.079  -4.684
   93    HH   TYR  11           HH       TYR  11   5.388  -0.730  -6.814
   94    H    ALA  12           H        ALA  12   3.691   0.817   2.033
   95    HA   ALA  12           HA       ALA  12   1.356  -0.398   2.891
   96    HB1  ALA  12           HB1      ALA  12   1.916   0.383   5.129
   97    HB2  ALA  12           HB2      ALA  12   3.045   1.559   4.452
   98    HB3  ALA  12           HB3      ALA  12   3.366  -0.169   4.289
   99    H    GLY  13           H        GLY  13   2.069   2.985   2.380
  100    HA2  GLY  13           HA2      GLY  13  -0.388   3.974   3.437
  101    HA3  GLY  13           HA3      GLY  13   0.701   4.848   2.370
  102    H    LYS  14           H        LYS  14   0.716   3.191   0.163
  103    HA   LYS  14           HA       LYS  14  -1.732   4.005  -1.031
  104    HB2  LYS  14           HB2      LYS  14   0.648   2.555  -2.143
  105    HB3  LYS  14           HB3      LYS  14  -0.825   2.690  -3.090
  106    HG2  LYS  14           HG2      LYS  14   0.649   4.441  -3.762
  107    HG3  LYS  14           HG3      LYS  14  -0.670   5.172  -2.856
  108    HD2  LYS  14           HD2      LYS  14   0.847   5.100  -0.836
  109    HD3  LYS  14           HD3      LYS  14   2.154   4.656  -1.929
  110    HE2  LYS  14           HE2      LYS  14   0.504   7.179  -2.071
  111    HE3  LYS  14           HE3      LYS  14   2.152   7.057  -1.473
  112    HZ1  LYS  14           HZ1      LYS  14   2.852   6.384  -3.701
  113    HZ2  LYS  14           HZ2      LYS  14   2.086   7.886  -3.690
  114    HZ3  LYS  14           HZ3      LYS  14   1.253   6.554  -4.258
  115    H    ALA  15           H        ALA  15  -0.545   0.973   0.124
  116    HA   ALA  15           HA       ALA  15  -2.595  -0.582  -0.989
  117    HB1  ALA  15           HB1      ALA  15  -0.869  -1.122   1.423
  118    HB2  ALA  15           HB2      ALA  15  -0.514  -1.583  -0.249
  119    HB3  ALA  15           HB3      ALA  15  -1.896  -2.297   0.596
  120    H    THR  16           H        THR  16  -2.399   1.383   1.862
  121    HA   THR  16           HA       THR  16  -4.735   0.259   3.035
  122    HB   THR  16           HB       THR  16  -3.559   2.994   3.625
  123    HG1  THR  16           HG1      THR  16  -1.953   1.365   4.009
  124   HG21  THR  16          HG21      THR  16  -4.664   2.716   5.792
  125   HG22  THR  16          HG22      THR  16  -5.186   1.108   5.320
  126   HG23  THR  16          HG23      THR  16  -5.856   2.514   4.498
  127    H    ILE  17           H        ILE  17  -4.080   3.032   0.886
  128    HA   ILE  17           HA       ILE  17  -6.869   3.685   0.974
  129    HB   ILE  17           HB       ILE  17  -5.423   5.563   0.613
  130   HG12  ILE  17          HG12      ILE  17  -6.987   4.957  -1.921
  131   HG13  ILE  17          HG13      ILE  17  -7.594   5.745  -0.471
  132   HG21  ILE  17          HG21      ILE  17  -4.011   5.858  -1.386
  133   HG22  ILE  17          HG22      ILE  17  -4.394   4.199  -1.849
  134   HG23  ILE  17          HG23      ILE  17  -3.524   4.515  -0.347
  135   HD11  ILE  17          HD11      ILE  17  -7.187   7.354  -2.229
  136   HD12  ILE  17          HD12      ILE  17  -5.509   6.822  -2.340
  137   HD13  ILE  17          HD13      ILE  17  -6.080   7.621  -0.877
  138    H    PHE  18           H        PHE  18  -4.799   2.311  -1.578
  139    HA   PHE  18           HA       PHE  18  -7.095   1.839  -3.208
  140    HB2  PHE  18           HB2      PHE  18  -4.221   1.075  -3.652
  141    HB3  PHE  18           HB3      PHE  18  -5.529   0.885  -4.828
  142    HD1  PHE  18           HD1      PHE  18  -6.971   3.116  -5.040
  143    HD2  PHE  18           HD2      PHE  18  -2.891   2.902  -3.960
  144    HE1  PHE  18           HE1      PHE  18  -6.664   5.433  -5.825
  145    HE2  PHE  18           HE2      PHE  18  -2.548   5.219  -4.715
  146    HZ   PHE  18           HZ       PHE  18  -4.435   6.492  -5.653
  147    H    GLY  19           H        GLY  19  -4.753  -0.248  -1.610
  148    HA2  GLY  19           HA2      GLY  19  -5.830  -2.718  -2.444
  149    HA3  GLY  19           HA3      GLY  19  -4.808  -2.465  -1.040
  150    H    LEU  20           H        LEU  20  -6.116  -1.053   0.623
  151    HA   LEU  20           HA       LEU  20  -8.071  -2.743   1.681
  152    HB2  LEU  20           HB2      LEU  20  -6.873  -0.276   2.481
  153    HB3  LEU  20           HB3      LEU  20  -8.591  -0.288   2.860
  154    HG   LEU  20           HG       LEU  20  -8.255  -2.455   3.925
  155   HD11  LEU  20          HD11      LEU  20  -6.100  -3.090   2.892
  156   HD12  LEU  20          HD12      LEU  20  -5.951  -3.071   4.648
  157   HD13  LEU  20          HD13      LEU  20  -5.319  -1.727   3.697
  158   HD21  LEU  20          HD21      LEU  20  -6.760  -0.116   5.087
  159   HD22  LEU  20          HD22      LEU  20  -7.292  -1.528   5.994
  160   HD23  LEU  20          HD23      LEU  20  -8.481  -0.461   5.246
  161    H    ALA  21           H        ALA  21  -8.478   0.028  -0.397
  162    HA   ALA  21           HA       ALA  21 -11.237   0.332  -0.114
  163    HB1  ALA  21           HB1      ALA  21  -9.656   0.676  -2.658
  164    HB2  ALA  21           HB2      ALA  21  -9.865   1.907  -1.411
  165    HB3  ALA  21           HB3      ALA  21 -11.256   1.342  -2.337
  166    H    ALA  22           H        ALA  22  -9.419  -2.144  -1.715
  167    HA   ALA  22           HA       ALA  22 -11.578  -3.191  -3.223
  168    HB1  ALA  22           HB1      ALA  22  -9.271  -3.690  -3.810
  169    HB2  ALA  22           HB2      ALA  22 -10.184  -5.174  -3.537
  170    HB3  ALA  22           HB3      ALA  22  -9.060  -4.591  -2.310
  171    H    TRP  23           H        TRP  23 -10.518  -3.614   0.072
  172    HA   TRP  23           HA       TRP  23 -12.368  -5.838   0.360
  173    HB2  TRP  23           HB2      TRP  23  -9.963  -5.400   1.538
  174    HB3  TRP  23           HB3      TRP  23 -11.079  -4.802   2.769
  175    HD1  TRP  23           HD1      TRP  23 -11.453  -6.651   4.491
  176    HE1  TRP  23           HE1      TRP  23 -11.923  -9.178   4.395
  177    HE3  TRP  23           HE3      TRP  23 -11.132  -7.315  -0.550
  178    HZ2  TRP  23           HZ2      TRP  23 -12.153 -11.188   2.401
  179    HZ3  TRP  23           HZ3      TRP  23 -11.501  -9.512  -1.489
  180    HH2  TRP  23           HH2      TRP  23 -12.004 -11.446  -0.033
  181    H    ALA  24           H        ALA  24 -11.938  -2.565   1.523
  182    HA   ALA  24           HA       ALA  24 -14.362  -2.560   3.016
  183    HB1  ALA  24           HB1      ALA  24 -12.464  -1.101   3.506
  184    HB2  ALA  24           HB2      ALA  24 -13.956  -0.182   3.285
  185    HB3  ALA  24           HB3      ALA  24 -12.746  -0.234   2.002
  186    H    LEU  25           H        LEU  25 -13.524  -0.910  -0.026
  187    HA   LEU  25           HA       LEU  25 -16.258  -0.098  -0.388
  188    HB2  LEU  25           HB2      LEU  25 -13.757   0.497  -1.909
  189    HB3  LEU  25           HB3      LEU  25 -15.330   0.948  -2.516
  190    HG   LEU  25           HG       LEU  25 -15.639   2.356  -0.435
  191   HD11  LEU  25          HD11      LEU  25 -13.703   2.974   0.884
  192   HD12  LEU  25          HD12      LEU  25 -12.718   1.797   0.018
  193   HD13  LEU  25          HD13      LEU  25 -14.052   1.253   1.034
  194   HD21  LEU  25          HD21      LEU  25 -14.174   4.162  -1.172
  195   HD22  LEU  25          HD22      LEU  25 -14.981   3.374  -2.522
  196   HD23  LEU  25          HD23      LEU  25 -13.285   3.030  -2.187
  197    H    LEU  26           H        LEU  26 -14.317  -2.665  -1.629
  198    HA   LEU  26           HA       LEU  26 -16.032  -2.964  -3.994
  199    HB2  LEU  26           HB2      LEU  26 -13.676  -2.908  -4.434
  200    HB3  LEU  26           HB3      LEU  26 -13.395  -4.167  -3.249
  201    HG   LEU  26           HG       LEU  26 -14.868  -5.604  -4.747
  202   HD11  LEU  26          HD11      LEU  26 -15.703  -3.897  -6.209
  203   HD12  LEU  26          HD12      LEU  26 -14.789  -5.080  -7.133
  204   HD13  LEU  26          HD13      LEU  26 -14.072  -3.514  -6.757
  205   HD21  LEU  26          HD21      LEU  26 -12.547  -6.103  -4.406
  206   HD22  LEU  26          HD22      LEU  26 -12.058  -4.830  -5.524
  207   HD23  LEU  26          HD23      LEU  26 -12.886  -6.259  -6.129
  208    H    ALA  27           H        ALA  27 -15.419  -4.369  -1.025
  209    HA   ALA  27           HA       ALA  27 -16.524  -6.918  -1.911
  210    HB1  ALA  27           HB1      ALA  27 -14.301  -7.038  -0.914
  211    HB2  ALA  27           HB2      ALA  27 -15.476  -7.953   0.039
  212    HB3  ALA  27           HB3      ALA  27 -14.937  -6.363   0.581