*HEADER    HYDROLASE                               11-OCT-09   2KPA              
*TITLE     SPECIFIC MOTIFS OF THE V-ATPASE A2-SUBUNIT ISOFORM INTERACT           
*TITLE    2 WITH CATALYTIC AND REGULATORY DOMAINS OF ARNO                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ARNO(375-400);                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: POLYBASIC DOMAIN;                                          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED PEPTIDE                        
*KEYWDS    HYDROLASE                                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    12                                                                    
*AUTHOR    M.MERKULOVA, A.BAKULINA, Y.R.THAKER, G.GRUBER, V.MARSHANSKY           
*REVDAT   1   02-MAR-10 2KPA    0                                                


  4 ASP  H       4 ASP  HB3     3.41            #peak     1 #SUP  0.89  #QF  0.89
  4 ASP  H       4 ASP  HB2     3.41            #peak     2 #SUP  0.96  #QF  0.96
  3 VAL  H       3 VAL  QQG     2.98            #peak     6 #SUP  0.90  #QF  0.90
 13 ARG  H      13 ARG  QG      3.93            #peak     7 #SUP  0.92  #QF  0.92
 13 ARG  H      13 ARG  HB3     3.70            #peak     8 #SUP  1.00
 13 ARG  H      13 ARG  HB2     3.70            #peak     9 #SUP  0.91  #QF  0.91
  3 VAL  H       3 VAL  HB      3.38            #peak    10 #SUP  0.82  #QF  0.82
 17 ILE  H      17 ILE  QG2     3.82            #peak    11 #SUP  0.99  #QF  0.99
  1 VAL  QG2     2 SER  H       5.19            #peak    12 #SUP  1.00
  2 SER  H       3 VAL  QQG     5.50            #peak    12 #SUP  1.00
  1 VAL  HB      2 SER  H       4.08            #peak    18 #SUP  0.83  #QF  0.83
  1 VAL  QG1     2 SER  H       5.19            #peak    19 #SUP  1.00
  9 MET  H       9 MET  HG2     3.62            #peak    21 #SUP  0.94  #QF  0.94
  6 PHE  H       6 PHE  HB3     3.61            #peak    24 #SUP  0.96  #QF  0.96
  6 PHE  H       6 PHE  HB2     3.32            #peak    25 #SUP  0.89  #QF  0.89
  4 ASP  HA      6 PHE  H       4.22            #peak    26 #SUP  0.93  #QF  0.93
 10 LEU  H      10 LEU  HG      3.21            #peak    28 #SUP  0.90  #QF  0.90
 10 LEU  H      10 LEU  QB      3.23            #peak    29 #SUP  0.98  #QF  0.98
 12 ALA  H      12 ALA  QB      2.67            #peak    30 #SUP  0.83  #QF  0.83
 23 GLN  H      23 GLN  QB      2.95            #peak    31 #SUP  0.92  #QF  0.92
 13 ARG  QD     13 ARG  HH11    2.89            #peak    32 #SUP  1.00  #QF  0.93
 17 ILE  H      17 ILE  HB      2.97            #peak    33 #SUP  0.83  #QF  0.83
 17 ILE  H      17 ILE  QD1     3.61            #peak    34 #SUP  0.97  #QF  0.97
 10 LEU  HG     11 ALA  H       4.30            #peak    35 #SUP  0.98  #QF  0.98
 10 LEU  QB     11 ALA  H       3.46            #peak    36 #SUP  0.97  #QF  0.97
 11 ALA  H      11 ALA  QB      2.73            #peak    37 #SUP  0.96  #QF  0.96
 10 LEU  QD1    11 ALA  H       3.99            #peak    38 #SUP  0.99  #QF  0.99
 11 ALA  H      11 ALA  HA      2.94            #peak    39 #SUP  1.00
 11 ALA  QB     12 ALA  H       3.09            #peak    41 #SUP  0.89  #QF  0.89
 10 LEU  H      10 LEU  QD1     3.36            #peak    44 #SUP  0.94  #QF  0.94
 23 GLN  H      23 GLN  HG3     3.76            #peak    45 #SUP  0.99  #QF  0.99
 23 GLN  H      23 GLN  HG2     3.76            #peak    46 #SUP  0.96  #QF  0.96
 24 GLU  H      24 GLU  HG3     4.15            #peak    47 #SUP  0.54  #QF  0.54
  9 MET  H       9 MET  HB2     3.31            #peak    48 #SUP  0.90  #QF  0.90
 13 ARG  QG     13 ARG  HH11    3.70            #peak    54 #SUP  0.98  #QF  0.98
 13 ARG  HB3    13 ARG  HH11    4.06            #peak    55 #SUP  0.99  #QF  0.99
 13 ARG  HB2    13 ARG  HH11    4.06            #peak    56 #SUP  0.92  #QF  0.92
 13 ARG  HA     13 ARG  HH11    4.12            #peak    57 #SUP  0.30  #QF  0.30
 16 ARG  HB2    16 ARG  HH11    4.00            #peak    59 #SUP  0.98  #QF  0.42
 16 ARG  HB3    16 ARG  HH11    3.53            #peak    60 #SUP  0.80  #QF  0.80
 16 ARG  QD     16 ARG  HH11    2.87            #peak    61 #SUP  0.96  #QF  0.96
 16 ARG  HA     16 ARG  HH11    4.65            #peak    62 #SUP  0.83  #QF  0.83
 16 ARG  H      16 ARG  QD      3.87            #peak    64 #SUP  0.90  #QF  0.90
 16 ARG  H      16 ARG  HG3     4.53            #peak    65 #SUP  0.97  #QF  0.97
 13 ARG  H      13 ARG  QD      4.19            #peak    68 #SUP  0.95  #QF  0.95
  8 GLU  QG      9 MET  H       3.66            #peak    69 #SUP  0.91  #QF  0.52
  9 MET  H       9 MET  HG3     4.17            #peak    69 #SUP  0.91  #QF  0.52
 14 LYS  H      14 LYS  QE      4.90            #peak    71 #SUP  1.00
 14 LYS  H      14 LYS  QD      4.27            #peak    72 #SUP  0.97  #QF  0.57
 20 LYS  H      20 LYS  QD      4.65            #peak    72 #SUP  0.97  #QF  0.57
 14 LYS  H      14 LYS  QG      3.54            #peak    73 #SUP  0.92  #QF  0.92
 14 LYS  H      14 LYS  QB      3.77            #peak    74 #SUP  0.99  #QF  0.24
 20 LYS  H      20 LYS  QE      4.76            #peak    75 #SUP  0.93  #QF  0.93
 20 LYS  H      20 LYS  QG      3.62            #peak    76 #SUP  0.99  #QF  0.99
  6 PHE  HB2    10 LEU  H       5.50            #peak    79 #SUP  0.82  #QF  0.41
 21 LYS  H      21 LYS  QE      5.50            #peak    79 #SUP  0.82  #QF  0.41
 16 ARG  H      16 ARG  HG2     4.53            #peak    80 #SUP  0.94  #QF  0.41
 14 LYS  QB     15 LYS  H       3.97            #peak    82 #SUP  0.51  #QF  0.51
  4 ASP  H       5 PRO  HD2     3.96            #peak    85 #SUP  0.76  #QF  0.76
  4 ASP  H       5 PRO  HG2     5.39            #peak    86 #SUP  0.87  #QF  0.87
 16 ARG  H      16 ARG  HB3     3.17            #peak    87 #SUP  0.92  #QF  0.56
 14 LYS  QE     15 LYS  H       5.50            #peak    88 #SUP  0.86  #QF  0.50
 15 LYS  H      15 LYS  QE      5.50            #peak    88 #SUP  0.86  #QF  0.50
 13 ARG  HB3    14 LYS  H       4.72            #peak    89 #SUP  0.99  #QF  0.68
 16 ARG  HB2    17 ILE  H       5.22            #peak    89 #SUP  0.99  #QF  0.68
 19 VAL  QG2    20 LYS  H       3.93            #peak    90 #SUP  0.98  #QF  0.98
 19 VAL  QG1    20 LYS  H       4.66            #peak    91 #SUP  0.99  #QF  0.99
  3 VAL  H       5 PRO  HD2     4.61            #peak    93 #SUP  0.96  #QF  0.86
 10 LEU  H      11 ALA  H       3.58            #peak    94 #SUP  0.68  #QF  0.58
 17 ILE  H      18 SER  H       3.77            #peak    94 #SUP  0.68  #QF  0.58
 20 LYS  H      21 LYS  H       3.31            #peak    95 #SUP  0.61  #QF  0.61
  3 VAL  H       4 ASP  H       3.30            #peak    96 #SUP  0.73  #QF  0.42
 22 LYS  H      23 GLN  H       2.86            #peak    98 #SUP  0.54  #QF  0.54
  2 SER  H       3 VAL  H       4.45            #peak    99 #SUP  0.72  #QF  0.72
  7 TYR  H      10 LEU  H       4.92            #peak   100 #SUP  0.63  #QF  0.63
  7 TYR  H       9 MET  H       4.40            #peak   101 #SUP  0.58  #QF  0.58
  3 VAL  H       4 ASP  HA      5.33            #peak   102 #SUP  0.96  #QF  0.96
  2 SER  HA      4 ASP  H       4.43            #peak   103 #SUP  0.90  #QF  0.90
  3 VAL  HB      4 ASP  H       3.93            #peak   107 #SUP  0.98  #QF  0.98
  3 VAL  QQG     4 ASP  H       3.52            #peak   108 #SUP  0.98  #QF  0.98
 21 LYS  H      21 LYS  QG      4.02            #peak   111 #SUP  0.20  #QF  0.20
 10 LEU  H      11 ALA  QB      4.55            #peak   112 #SUP  0.90  #QF  0.90
  9 MET  HG2    10 LEU  H       4.46            #peak   113 #SUP  0.53  #QF  0.53
  8 GLU  QG     12 ALA  H       5.30            #peak   114 #SUP  0.99  #QF  0.99
  5 PRO  HG2     6 PHE  H       4.03            #peak   117 #SUP  0.97  #QF  0.97
  3 VAL  QQG     6 PHE  H       5.02            #peak   118 #SUP  0.94  #QF  0.94
  6 PHE  HA      9 MET  H       3.76            #peak   119 #SUP  0.85  #QF  0.85
  6 PHE  HB3    10 LEU  H       4.34            #peak   121 #SUP  0.59  #QF  0.59
  3 VAL  H       4 ASP  HB3     5.50            #peak   123 #SUP  0.93  #QF  0.86
  3 VAL  H       4 ASP  HB2     5.50            #peak   124 #SUP  0.92  #QF  0.92
  4 ASP  H       6 PHE  H       5.31            #peak   125 #SUP  0.74  #QF  0.74
  4 ASP  H       7 TYR  H       5.02            #peak   126 #SUP  0.56  #QF  0.56
  6 PHE  HA      6 PHE  QD      4.20            #peak   127 #SUP  0.83  #QF  0.83
  5 PRO  HG2     7 TYR  H       5.29            #peak   130 #SUP  0.97  #QF  0.97
  7 TYR  QD     11 ALA  QB      4.00            #peak   131 #SUP  0.93  #QF  0.93
  7 TYR  QD     10 LEU  H       5.39            #peak   132 #SUP  0.46  #QF  0.46
  7 TYR  HA     10 LEU  QD1     3.41            #peak   133 #SUP  0.65  #QF  0.65
 13 ARG  H      13 ARG  HH11    4.86            #peak   134 #SUP  0.70  #QF  0.70
  7 TYR  H       7 TYR  HB2     3.02            #peak   137 #SUP  0.27  #QF  0.27
  6 PHE  HB2     7 TYR  H       3.78            #peak   140 #SUP  0.74  #QF  0.74
 24 GLU  HA     25 GLN  H       3.21            #peak   141 #SUP  1.00  #QF  0.92
 22 LYS  H      22 LYS  HA      2.94            #peak   142 #SUP  0.77  #QF  0.77
  7 TYR  HB3     8 GLU  H       3.64            #peak   143 #SUP  0.67  #QF  0.67
  8 GLU  H       8 GLU  QG      3.27            #peak   144 #SUP  0.75  #QF  0.75
  7 TYR  HB2     8 GLU  H       3.86            #peak   146 #SUP  0.75  #QF  0.75
 22 LYS  H      22 LYS  QB      3.17            #peak   150 #SUP  0.97  #QF  0.55
 22 LYS  H      22 LYS  QE      5.50            #peak   151 #SUP  0.90  #QF  0.56
 21 LYS  QD     22 LYS  H       4.82            #peak   152 #SUP  0.95  #QF  0.35
 22 LYS  H      22 LYS  QD      5.07            #peak   152 #SUP  0.95  #QF  0.35
  8 GLU  HA     11 ALA  QB      3.28            #peak   154 #SUP  0.58  #QF  0.42
 17 ILE  QG2    18 SER  H       4.13            #peak   155 #SUP  1.00  #QF  0.91
 19 VAL  H      19 VAL  QG2     4.76            #peak   155 #SUP  1.00  #QF  0.91
 19 VAL  QG2    22 LYS  H       4.52            #peak   155 #SUP  1.00  #QF  0.91
 19 VAL  QG1    22 LYS  H       3.06            #peak   156 #SUP  0.85  #QF  0.71
  8 GLU  H       8 GLU  QB      3.05            #peak   158 #SUP  0.90  #QF  0.60
 19 VAL  HB     20 LYS  H       4.25            #peak   159 #SUP  0.94  #QF  0.94
 20 LYS  H      23 GLN  H       5.50            #peak   160 #SUP  0.60  #QF  0.60
 12 ALA  QB     14 LYS  H       4.54            #peak   162 #SUP  0.94  #QF  0.27
 16 ARG  H      16 ARG  HB2     4.19            #peak   163 #SUP  0.99  #QF  0.43
 14 LYS  QG     15 LYS  H       5.01            #peak   166 #SUP  1.00
 15 LYS  QE     16 ARG  H       5.50            #peak   167 #SUP  0.95  #QF  0.95
  9 MET  H      11 ALA  QB      5.19            #peak   169 #SUP  0.88  #QF  0.71
 14 LYS  H      15 LYS  H       3.41            #peak   172 #SUP  0.52  #QF  0.52
 13 ARG  H      14 LYS  H       3.65            #peak   173 #SUP  0.64  #QF  0.32
 16 ARG  H      17 ILE  H       3.18            #peak   174 #SUP  0.78  #QF  0.78
 15 LYS  H      16 ARG  H       3.38            #peak   177 #SUP  0.52  #QF  0.52
  8 GLU  H       9 MET  H       3.45            #peak   178 #SUP  0.43  #QF  0.43
 21 LYS  H      22 LYS  H       4.35            #peak   179 #SUP  0.59  #QF  0.31
  6 PHE  H       8 GLU  H       4.79            #peak   180 #SUP  0.48  #QF  0.48
  7 TYR  H       8 GLU  H       3.38            #peak   181 #SUP  0.60  #QF  0.60
  7 TYR  QD      8 GLU  H       4.56            #peak   182 #SUP  0.77  #QF  0.77
  6 PHE  H       7 TYR  H       3.41            #peak   183 #SUP  0.65  #QF  0.65
  5 PRO  HB3     6 PHE  H       4.48            #peak   185 #SUP  0.92  #QF  0.92
  5 PRO  HG3     6 PHE  H       4.51            #peak   186 #SUP  0.91  #QF  0.91
  7 TYR  H       9 MET  HB2     5.23            #peak   188 #SUP  0.72  #QF  0.72
  6 PHE  QD      9 MET  HB3     4.75            #peak   189 #SUP  1.00  #QF  0.70
 23 GLN  QB     23 GLN  HE21    5.31            #peak   189 #SUP  1.00  #QF  0.70
  3 VAL  HA      6 PHE  QD      5.40            #peak   192 #SUP  0.89  #QF  0.75
 23 GLN  HA     23 GLN  HE21    5.50            #peak   192 #SUP  0.89  #QF  0.75
 22 LYS  QG     23 GLN  H       4.41            #peak   193 #SUP  1.00
 24 GLU  H      24 GLU  HG2     4.15            #peak   194 #SUP  0.85  #QF  0.85
 25 GLN  H      25 GLN  QG      3.69            #peak   195 #SUP  0.73  #QF  0.73
 19 VAL  H      19 VAL  HB      3.11            #peak   199 #SUP  0.88  #QF  0.43
 23 GLN  QB     23 GLN  HE22    5.31            #peak   200 #SUP  1.00
 23 GLN  HA     23 GLN  HE22    5.50            #peak   203 #SUP  0.82  #QF  0.82
  5 PRO  HG3     6 PHE  QD      5.37            #peak   204 #SUP  0.85  #QF  0.85
  6 PHE  QD     10 LEU  HG      4.53            #peak   205 #SUP  0.73  #QF  0.73
  4 ASP  HB3     7 TYR  QE      5.50            #peak   212 #SUP  0.57  #QF  0.57
  4 ASP  HB2     7 TYR  QE      5.50            #peak   213 #SUP  0.97  #QF  0.97
  6 PHE  HZ      9 MET  HG3     5.44            #peak   214 #SUP  0.97  #QF  0.97
  3 VAL  QQG     7 TYR  QE      4.22            #peak   215 #SUP  0.87  #QF  0.87
  5 PRO  HD2     7 TYR  H       4.82            #peak   216 #SUP  0.97  #QF  0.97
  7 TYR  HA      7 TYR  QE      4.31            #peak   217 #SUP  0.98  #QF  0.98
  4 ASP  HA      7 TYR  H       4.46            #peak   219 #SUP  0.96  #QF  0.96
  4 ASP  HA      7 TYR  QE      5.26            #peak   221 #SUP  0.97  #QF  0.97
  7 TYR  HA      7 TYR  QD      3.25            #peak   222 #SUP  0.94  #QF  0.94
  6 PHE  HA      6 PHE  QE      5.26            #peak   223 #SUP  0.57  #QF  0.57
  4 ASP  HA      7 TYR  QD      4.65            #peak   224 #SUP  0.95  #QF  0.95
  4 ASP  HB3     7 TYR  QD      4.99            #peak   227 #SUP  0.87  #QF  0.74
  4 ASP  HB2     7 TYR  QD      4.99            #peak   228 #SUP  0.97  #QF  0.97
  6 PHE  QE      9 MET  HG3     4.12            #peak   229 #SUP  0.50  #QF  0.50
  6 PHE  QE      9 MET  HB3     4.60            #peak   230 #SUP  0.47  #QF  0.47
  3 VAL  HB      7 TYR  QD      5.50            #peak   231 #SUP  0.86  #QF  0.78
  3 VAL  QQG     7 TYR  QD      3.96            #peak   234 #SUP  0.86  #QF  0.86
  3 VAL  QQG     6 PHE  QD      4.72            #peak   235 #SUP  0.68  #QF  0.68
  6 PHE  QE     10 LEU  HG      5.50            #peak   236 #SUP  0.24  #QF  0.24
  5 PRO  HB2     7 TYR  H       5.50            #peak   237 #SUP  0.97  #QF  0.97
 19 VAL  QG1    22 LYS  HA      4.34            #peak   238 #SUP  0.61  #QF  0.61
  3 VAL  HA      6 PHE  HB3     4.66            #peak   239 #SUP  0.65  #QF  0.65
  4 ASP  H       5 PRO  HB3     5.50            #peak   242 #SUP  0.56  #QF  0.21
  8 GLU  QB     11 ALA  H       5.50            #peak   242 #SUP  0.56  #QF  0.21
  4 ASP  H       5 PRO  HG3     4.75            #peak   243 #SUP  0.94  #QF  0.94
  5 PRO  HD2     6 PHE  H       3.81            #peak   244 #SUP  0.97  #QF  0.97
  5 PRO  HD2     7 TYR  QD      5.50            #peak   246 #SUP  0.98  #QF  0.98
  6 PHE  HA      9 MET  HG2     4.90            #peak   247 #SUP  0.89  #QF  0.89
  6 PHE  HA      9 MET  HG3     4.72            #peak   248 #SUP  0.99  #QF  0.46
  5 PRO  HG2     6 PHE  HA      4.89            #peak   251 #SUP  0.96  #QF  0.96
  6 PHE  HA      9 MET  HB2     4.01            #peak   252 #SUP  0.73  #QF  0.73
 17 ILE  HB     18 SER  HA      5.41            #peak   253 #SUP  0.26  #QF  0.26
  7 TYR  H       7 TYR  QD      3.80            #peak   254 #SUP  0.69  #QF  0.69
  7 TYR  H       8 GLU  QG      4.40            #peak   255 #SUP  0.90  #QF  0.90
  3 VAL  QQG     7 TYR  H       4.83            #peak   256 #SUP  0.91  #QF  0.91
  7 TYR  HA     10 LEU  QB      3.47            #peak   258 #SUP  0.63  #QF  0.63
  8 GLU  H       9 MET  HG2     5.25            #peak   259 #SUP  0.45  #QF  0.45
 16 ARG  HB2    19 VAL  H       5.50            #peak   260 #SUP  0.26  #QF  0.26
  4 ASP  HA      8 GLU  H       5.50            #peak   261 #SUP  0.53  #QF  0.53
  3 VAL  H       6 PHE  HB2     5.14            #peak   262 #SUP  0.39  #QF  0.39
  9 MET  H      10 LEU  QD1     5.09            #peak   266 #SUP  0.96  #QF  0.80
 16 ARG  H      17 ILE  QD1     5.48            #peak   266 #SUP  0.96  #QF  0.80
  6 PHE  H       9 MET  H       5.26            #peak   267 #SUP  0.52  #QF  0.52
 20 LYS  HA     20 LYS  QD      2.92            #peak   268 #SUP  0.23  #QF  0.23
  7 TYR  HA     11 ALA  H       3.89            #peak   272 #SUP  0.86  #QF  0.86
  8 GLU  HA     11 ALA  H       4.25            #peak   273 #SUP  0.55  #QF  0.28
  9 MET  HG2    11 ALA  H       5.50            #peak   274 #SUP  0.68  #QF  0.68
 17 ILE  H      19 VAL  HB      4.87            #peak   275 #SUP  0.22  #QF  0.22
  8 GLU  HA      8 GLU  QB      2.88            #peak   277 #SUP  0.84  #QF  0.75
 16 ARG  HA     19 VAL  HB      3.24            #peak   277 #SUP  0.84  #QF  0.75
 11 ALA  QB     12 ALA  HA      3.87            #peak   280 #SUP  0.80  #QF  0.80
 13 ARG  H      14 LYS  QE      5.50            #peak   283 #SUP  0.62  #QF  0.62
 16 ARG  HA     16 ARG  HB3     2.89            #peak   285 #SUP  0.53  #QF  0.30
 14 LYS  HA     17 ILE  HB      3.11            #peak   285 #SUP  0.53  #QF  0.30
 13 ARG  QD     14 LYS  H       5.14            #peak   287 #SUP  0.60  #QF  0.44
 13 ARG  HA     15 LYS  H       3.75            #peak   290 #SUP  0.76  #QF  0.26
 15 LYS  H      16 ARG  QD      5.34            #peak   292 #SUP  0.60  #QF  0.60
  7 TYR  QD      9 MET  H       5.50            #peak   297 #SUP  0.38  #QF  0.38
 16 ARG  QD     17 ILE  H       4.64            #peak   301 #SUP  0.99  #QF  0.99
 17 ILE  H      19 VAL  QG1     5.16            #peak   302 #SUP  0.93  #QF  0.93
 19 VAL  HA     20 LYS  QG      4.19            #peak   303 #SUP  0.64  #QF  0.64
 14 LYS  HA     18 SER  H       4.18            #peak   306 #SUP  0.43  #QF  0.43
 17 ILE  HB     18 SER  H       2.99            #peak   310 #SUP  0.36  #QF  0.36
 21 LYS  QE     22 LYS  H       5.50            #peak   311 #SUP  0.62  #QF  0.62
 13 ARG  HB2    14 LYS  H       4.72            #peak   313 #SUP  0.62  #QF  0.62
 19 VAL  HA     21 LYS  H       3.83            #peak   315 #SUP  0.91  #QF  0.91
  8 GLU  QB      9 MET  H       3.96            #peak   316 #SUP  0.80  #QF  0.40
  9 MET  HB3    10 LEU  H       4.50            #peak   316 #SUP  0.80  #QF  0.40
 19 VAL  QG1    21 LYS  H       3.54            #peak   318 #SUP  0.95  #QF  0.95
 19 VAL  QG2    21 LYS  H       3.41            #peak   319 #SUP  0.89  #QF  0.89
 19 VAL  QG1    21 LYS  HA      5.02            #peak   320 #SUP  0.98  #QF  0.98
  3 VAL  HA      3 VAL  QQG     3.87            #peak   321 #SUP  0.82  #QF  0.68
 20 LYS  HA     23 GLN  H       4.42            #peak   324 #SUP  0.78  #QF  0.78
 22 LYS  QD     23 GLN  H       5.50            #peak   327 #SUP  0.92  #QF  0.92
 19 VAL  QG1    23 GLN  H       5.49            #peak   328 #SUP  0.99  #QF  0.99
 19 VAL  QG2    23 GLN  H       5.43            #peak   329 #SUP  0.89  #QF  0.89
 22 LYS  QG     23 GLN  HA      4.82            #peak   330 #SUP  0.51  #QF  0.51
 23 GLN  H      24 GLU  HA      5.50            #peak   331 #SUP  0.85  #QF  0.85
 19 VAL  QG1    20 LYS  HA      4.32            #peak   332 #SUP  0.90  #QF  0.90
 22 LYS  QB     23 GLN  H       4.03            #peak   334 #SUP  0.48  #QF  0.26
  6 PHE  HA     10 LEU  QD1     5.20            #peak   337 #SUP  0.91  #QF  0.91
  5 PRO  HB2     6 PHE  QE      5.50            #peak   339 #SUP  0.97  #QF  0.97
  5 PRO  HG2     6 PHE  QE      4.72            #peak   340 #SUP  0.95  #QF  0.95
  5 PRO  HG3     6 PHE  QE      5.50            #peak   341 #SUP  0.95  #QF  0.95
  7 TYR  H       8 GLU  QB      5.09            #peak   342 #SUP  0.53  #QF  0.53
  6 PHE  HB3     9 MET  H       5.24            #peak   346 #SUP  0.96  #QF  0.79
  7 TYR  HB3     9 MET  H       5.50            #peak   346 #SUP  0.96  #QF  0.79
  7 TYR  HB2     9 MET  H       5.50            #peak   346 #SUP  0.96  #QF  0.79
 20 LYS  HA     21 LYS  H       3.44            #peak   348 #SUP  0.67  #QF  0.67
  8 GLU  HA     12 ALA  H       3.84            #peak   349 #SUP  0.68  #QF  0.68
 13 ARG  H      13 ARG  HA      2.94            #peak   351 #SUP  0.94  #QF  0.94
 13 ARG  HA     14 LYS  H       3.12            #peak   352 #SUP  0.77  #QF  0.25
 12 ALA  HA     14 LYS  H       4.79            #peak   353 #SUP  0.54  #QF  0.30
 15 LYS  HA     17 ILE  H       5.09            #peak   353 #SUP  0.54  #QF  0.30
 16 ARG  HA     17 ILE  HA      5.18            #peak   362 #SUP  0.74  #QF  0.49
 16 ARG  HA     19 VAL  HA      5.50            #peak   362 #SUP  0.74  #QF  0.49
 22 LYS  QE     23 GLN  H       5.50            #peak   364 #SUP  0.83  #QF  0.83
  3 VAL  HA      5 PRO  HD2     3.86            #peak   366 #SUP  0.47  #QF  0.47
  8 GLU  QG     11 ALA  H       5.50            #peak   367 #SUP  0.43  #QF  0.43
  7 TYR  HB3    11 ALA  H       5.17            #peak   368 #SUP  0.46  #QF  0.46
  5 PRO  HD3     6 PHE  H       4.20            #peak   369 #SUP  0.96  #QF  0.96
  4 ASP  H       5 PRO  HD3     4.18            #peak   370 #SUP  0.99  #QF  0.98
  5 PRO  HD3     7 TYR  H       5.50            #peak   371 #SUP  0.94  #QF  0.94
  6 PHE  H       7 TYR  HA      4.65            #peak   372 #SUP  0.85  #QF  0.85
  2 SER  HA      6 PHE  H       5.50            #peak   373 #SUP  0.84  #QF  0.84
  3 VAL  HA      6 PHE  H       5.25            #peak   374 #SUP  0.89  #QF  0.89
  6 PHE  H      10 LEU  QD1     5.22            #peak   375 #SUP  0.92  #QF  0.92
  7 TYR  H       8 GLU  HA      5.50            #peak   377 #SUP  0.84  #QF  0.84
  7 TYR  H      10 LEU  QD1     4.56            #peak   378 #SUP  0.95  #QF  0.95
  7 TYR  H      11 ALA  QB      5.50            #peak   379 #SUP  0.60  #QF  0.60
  7 TYR  HA     11 ALA  QB      4.42            #peak   381 #SUP  0.82  #QF  0.82
 14 LYS  HA     17 ILE  QG2     3.83            #peak   385 #SUP  0.77  #QF  0.77
 15 LYS  H      17 ILE  QD1     5.50            #peak   386 #SUP  0.85  #QF  0.85
  6 PHE  QD     10 LEU  QD1     3.88            #peak   389 #SUP  0.86  #QF  0.86
  7 TYR  QD     10 LEU  QD1     3.62            #peak   390 #SUP  0.70  #QF  0.70
  7 TYR  H      10 LEU  QB      5.50            #peak   392 #SUP  0.96  #QF  0.96
  7 TYR  H      10 LEU  HG      5.48            #peak   393 #SUP  0.76  #QF  0.76
  6 PHE  QE      9 MET  HG2     5.36            #peak   395 #SUP  0.98  #QF  0.98
  4 ASP  H       7 TYR  QD      5.12            #peak   396 #SUP  0.83  #QF  0.72
  7 TYR  QD     11 ALA  H       5.30            #peak   396 #SUP  0.83  #QF  0.72
  6 PHE  QE      9 MET  HB2     4.74            #peak   397 #SUP  0.82  #QF  0.82
  7 TYR  QE     10 LEU  QD1     4.74            #peak   398 #SUP  0.95  #QF  0.95
  7 TYR  QE     11 ALA  QB      4.82            #peak   399 #SUP  0.97  #QF  0.97
  8 GLU  H      11 ALA  QB      4.62            #peak   400 #SUP  0.95  #QF  0.95
 16 ARG  HA     19 VAL  QG1     3.55            #peak   405 #SUP  0.43  #QF  0.43
 16 ARG  HA     19 VAL  QG2     3.80            #peak   406 #SUP  0.43  #QF  0.43
  8 GLU  QB     12 ALA  H       4.73            #peak   408 #SUP  0.81  #QF  0.81
  1 VAL  QQG     2 SER  H       4.10            #peak    19
  2 SER  H       2 SER  QB      2.66            #peak     3
  2 SER  QB      3 VAL  H       4.22            #peak    93
  4 ASP  H       4 ASP  QB      2.96            #peak     1
  4 ASP  QB      6 PHE  H       5.22            #peak    27
  4 ASP  QB      7 TYR  H       5.34            #peak   187
  4 ASP  QB      7 TYR  QD      4.38            #peak   227
  4 ASP  QB      7 TYR  QE      4.76            #peak   212
 12 ALA  HA     13 ARG  QB      5.34            #peak   279
 13 ARG  H      13 ARG  QB      2.91            #peak     9
 13 ARG  QB     14 LYS  H       3.87            #peak   313
 14 LYS  HA     17 ILE  QG1     4.45            #peak   284
 15 LYS  H      15 LYS  QB      2.87            #peak    83
 15 LYS  H      15 LYS  QG      4.29            #peak   164
 15 LYS  H      15 LYS  QD      5.34            #peak   110
 15 LYS  H      17 ILE  QG1     5.34            #peak   401
 15 LYS  HA     15 LYS  QG      3.48            #peak   154
 15 LYS  QB     16 ARG  H       2.92            #peak    87
 15 LYS  QG     16 ARG  H       4.51            #peak   168
 16 ARG  H      16 ARG  QG      3.74            #peak    65
 16 ARG  H      17 ILE  QG1     4.64            #peak   264
 16 ARG  QG     16 ARG  HH11    3.70            #peak    58
 16 ARG  QG     17 ILE  H       3.41            #peak   171
 16 ARG  QG     17 ILE  HA      4.19            #peak   304
 17 ILE  H      17 ILE  QG1     3.55            #peak   157
 18 SER  H      18 SER  QB      3.13            #peak    20
 20 LYS  H      20 LYS  QB      2.71            #peak    78
 20 LYS  H      23 GLN  QG      5.34            #peak   407
 20 LYS  HA     23 GLN  QG      4.89            #peak   314
 20 LYS  HA     23 GLN  QE2     5.06            #peak   218
 20 LYS  QB     23 GLN  H       5.34            #peak   110
 21 LYS  H      21 LYS  QB      2.95            #peak    16
 21 LYS  H      23 GLN  QG      5.34            #peak   365
 21 LYS  HA     23 GLN  QG      5.34            #peak   257
 21 LYS  QB     22 LYS  H       3.37            #peak   323
 22 LYS  H      23 GLN  QG      4.87            #peak   322
 22 LYS  HA     23 GLN  QG      5.34            #peak   257
 23 GLN  H      23 GLN  QG      3.21            #peak    46
 23 GLN  H      24 GLU  QB      5.34            #peak   326
 23 GLN  HA     23 GLN  QE2     4.80            #peak   203
 23 GLN  QB     23 GLN  QE2     4.45            #peak   200
 23 GLN  QG     23 GLN  QE2     3.15            #peak   190
 23 GLN  QG     24 GLU  H       5.14            #peak   322
 24 GLU  H      24 GLU  QB      3.19            #peak   198
 24 GLU  H      24 GLU  QG      3.41            #peak   194
 25 GLN  H      25 GLN  QB      3.05            #peak   199
peaks       := arnop.peaks  # names of NOESY peak lists
prot        := arnop.prot                     # names of chemical shift lists
constraints := arnop.aco                 # additional (non-NOE) constraints
tolerance   := 0.040,0.040,0.6         # chemical shift tolerances
calibration :=                          # NOE calibration parameters
structures  := 100,50                   # number of initial, final structures
steps       := 10000                    # number of torsion angle dynamics steps
rmsdrange   := 1..26                  # residue range for RMSD calculation
randomseed  := 434726                   # random number generator seed

noeassign peaks=$peaks prot=$prot autoaco
   1 VAL   PHI    -175.0    75.0 5.00E-01 type=2
   1 VAL   PSI     -75.0   185.0 5.00E-01 type=2
   1 VAL   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   1 VAL   PSI      25.0    55.0 5.00E-01 type=2
   1 VAL   PHI    -135.0    75.0 5.00E-01 type=2 OR
   1 VAL   PSI     105.0   185.0 5.00E-01 type=2
   2 SER   PHI    -175.0    75.0 5.00E-01 type=2
   2 SER   PSI     -75.0   185.0 5.00E-01 type=2
   2 SER   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   2 SER   PSI      25.0    55.0 5.00E-01 type=2
   2 SER   PHI    -135.0    75.0 5.00E-01 type=2 OR
   2 SER   PSI     105.0   185.0 5.00E-01 type=2
   3 VAL   PHI    -175.0    75.0 5.00E-01 type=2
   3 VAL   PSI     -75.0   185.0 5.00E-01 type=2
   3 VAL   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   3 VAL   PSI      25.0    55.0 5.00E-01 type=2
   3 VAL   PHI    -135.0    75.0 5.00E-01 type=2 OR
   3 VAL   PSI     105.0   185.0 5.00E-01 type=2
   6 PHE   PHI    -175.0    75.0 5.00E-01 type=2
   6 PHE   PSI     -75.0   185.0 5.00E-01 type=2
   6 PHE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   6 PHE   PSI      25.0    55.0 5.00E-01 type=2
   6 PHE   PHI    -135.0    75.0 5.00E-01 type=2 OR
   6 PHE   PSI     105.0   185.0 5.00E-01 type=2
   7 TYR   PHI    -175.0    75.0 5.00E-01 type=2
   7 TYR   PSI     -75.0   185.0 5.00E-01 type=2
   7 TYR   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   7 TYR   PSI      25.0    55.0 5.00E-01 type=2
   7 TYR   PHI    -135.0    75.0 5.00E-01 type=2 OR
   7 TYR   PSI     105.0   185.0 5.00E-01 type=2
   8 GLU   PHI    -175.0    75.0 5.00E-01 type=2
   8 GLU   PSI     -75.0   185.0 5.00E-01 type=2
   8 GLU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   8 GLU   PSI      25.0    55.0 5.00E-01 type=2
   8 GLU   PHI    -135.0    75.0 5.00E-01 type=2 OR
   8 GLU   PSI     105.0   185.0 5.00E-01 type=2
   9 MET   PHI    -175.0    75.0 5.00E-01 type=2
   9 MET   PSI     -75.0   185.0 5.00E-01 type=2
   9 MET   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   9 MET   PSI      25.0    55.0 5.00E-01 type=2
   9 MET   PHI    -135.0    75.0 5.00E-01 type=2 OR
   9 MET   PSI     105.0   185.0 5.00E-01 type=2
  10 LEU   PHI    -175.0    75.0 5.00E-01 type=2
  10 LEU   PSI     -75.0   185.0 5.00E-01 type=2
  10 LEU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  10 LEU   PSI      25.0    55.0 5.00E-01 type=2
  10 LEU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  10 LEU   PSI     105.0   185.0 5.00E-01 type=2
  11 ALA   PHI    -175.0    75.0 5.00E-01 type=2
  11 ALA   PSI     -75.0   185.0 5.00E-01 type=2
  11 ALA   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  11 ALA   PSI      25.0    55.0 5.00E-01 type=2
  11 ALA   PHI    -135.0    75.0 5.00E-01 type=2 OR
  11 ALA   PSI     105.0   185.0 5.00E-01 type=2
  12 ALA   PHI    -175.0    75.0 5.00E-01 type=2
  12 ALA   PSI     -75.0   185.0 5.00E-01 type=2
  12 ALA   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  12 ALA   PSI      25.0    55.0 5.00E-01 type=2
  12 ALA   PHI    -135.0    75.0 5.00E-01 type=2 OR
  12 ALA   PSI     105.0   185.0 5.00E-01 type=2
  13 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  13 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  13 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  13 ARG   PSI      25.0    55.0 5.00E-01 type=2
  13 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  13 ARG   PSI     105.0   185.0 5.00E-01 type=2
  14 LYS   PHI    -175.0    75.0 5.00E-01 type=2
  14 LYS   PSI     -75.0   185.0 5.00E-01 type=2
  14 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  14 LYS   PSI      25.0    55.0 5.00E-01 type=2
  14 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  14 LYS   PSI     105.0   185.0 5.00E-01 type=2
  15 LYS   PHI    -175.0    75.0 5.00E-01 type=2
  15 LYS   PSI     -75.0   185.0 5.00E-01 type=2
  15 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  15 LYS   PSI      25.0    55.0 5.00E-01 type=2
  15 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  15 LYS   PSI     105.0   185.0 5.00E-01 type=2
  16 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  16 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  16 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  16 ARG   PSI      25.0    55.0 5.00E-01 type=2
  16 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  16 ARG   PSI     105.0   185.0 5.00E-01 type=2
  17 ILE   PHI    -175.0    75.0 5.00E-01 type=2
  17 ILE   PSI     -75.0   185.0 5.00E-01 type=2
  17 ILE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  17 ILE   PSI      25.0    55.0 5.00E-01 type=2
  17 ILE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  17 ILE   PSI     105.0   185.0 5.00E-01 type=2
  18 SER   PHI    -175.0    75.0 5.00E-01 type=2
  18 SER   PSI     -75.0   185.0 5.00E-01 type=2
  18 SER   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  18 SER   PSI      25.0    55.0 5.00E-01 type=2
  18 SER   PHI    -135.0    75.0 5.00E-01 type=2 OR
  18 SER   PSI     105.0   185.0 5.00E-01 type=2
  19 VAL   PHI    -175.0    75.0 5.00E-01 type=2
  19 VAL   PSI     -75.0   185.0 5.00E-01 type=2
  19 VAL   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  19 VAL   PSI      25.0    55.0 5.00E-01 type=2
  19 VAL   PHI    -135.0    75.0 5.00E-01 type=2 OR
  19 VAL   PSI     105.0   185.0 5.00E-01 type=2
  20 LYS   PHI    -175.0    75.0 5.00E-01 type=2
  20 LYS   PSI     -75.0   185.0 5.00E-01 type=2
  20 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  20 LYS   PSI      25.0    55.0 5.00E-01 type=2
  20 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  20 LYS   PSI     105.0   185.0 5.00E-01 type=2
  21 LYS   PHI    -175.0    75.0 5.00E-01 type=2
  21 LYS   PSI     -75.0   185.0 5.00E-01 type=2
  21 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  21 LYS   PSI      25.0    55.0 5.00E-01 type=2
  21 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  21 LYS   PSI     105.0   185.0 5.00E-01 type=2
  22 LYS   PHI    -175.0    75.0 5.00E-01 type=2
  22 LYS   PSI     -75.0   185.0 5.00E-01 type=2
  22 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  22 LYS   PSI      25.0    55.0 5.00E-01 type=2
  22 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  22 LYS   PSI     105.0   185.0 5.00E-01 type=2
  23 GLN   PHI    -175.0    75.0 5.00E-01 type=2
  23 GLN   PSI     -75.0   185.0 5.00E-01 type=2
  23 GLN   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  23 GLN   PSI      25.0    55.0 5.00E-01 type=2
  23 GLN   PHI    -135.0    75.0 5.00E-01 type=2 OR
  23 GLN   PSI     105.0   185.0 5.00E-01 type=2
  24 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  24 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  24 GLU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  24 GLU   PSI      25.0    55.0 5.00E-01 type=2
  24 GLU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  24 GLU   PSI     105.0   185.0 5.00E-01 type=2
   1 VAL   CHI1    -90.0   210.0 2.00E-01 type=2
   1 VAL   CHI1   -330.0   -30.0 2.00E-01 type=2
   1 VAL   CHI1   -210.0    90.0 2.00E-01 type=2
   2 SER   CHI1    -90.0   210.0 2.00E-01 type=2
   2 SER   CHI1   -330.0   -30.0 2.00E-01 type=2
   2 SER   CHI1   -210.0    90.0 2.00E-01 type=2
   3 VAL   CHI1    -90.0   210.0 2.00E-01 type=2
   3 VAL   CHI1   -330.0   -30.0 2.00E-01 type=2
   3 VAL   CHI1   -210.0    90.0 2.00E-01 type=2
   4 ASP   CHI1    -90.0   210.0 2.00E-01 type=2
   4 ASP   CHI1   -330.0   -30.0 2.00E-01 type=2
   4 ASP   CHI1   -210.0    90.0 2.00E-01 type=2
   6 PHE   CHI1    -90.0   210.0 2.00E-01 type=2
   6 PHE   CHI1   -330.0   -30.0 2.00E-01 type=2
   6 PHE   CHI1   -210.0    90.0 2.00E-01 type=2
   7 TYR   CHI1    -90.0   210.0 2.00E-01 type=2
   7 TYR   CHI1   -330.0   -30.0 2.00E-01 type=2
   7 TYR   CHI1   -210.0    90.0 2.00E-01 type=2
   8 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
   8 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
   8 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
   8 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
   8 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
   8 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
   9 MET   CHI1    -90.0   210.0 2.00E-01 type=2
   9 MET   CHI1   -330.0   -30.0 2.00E-01 type=2
   9 MET   CHI1   -210.0    90.0 2.00E-01 type=2
   9 MET   CHI2    -90.0   210.0 2.00E-01 type=2
   9 MET   CHI2   -330.0   -30.0 2.00E-01 type=2
   9 MET   CHI2   -210.0    90.0 2.00E-01 type=2
  10 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
  10 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
  10 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
  10 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
  10 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
  10 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
  13 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  13 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  13 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  13 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  13 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  13 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  13 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  13 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  13 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  14 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
  14 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
  14 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
  14 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
  14 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
  14 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
  14 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
  14 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
  14 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
  14 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
  14 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
  14 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  15 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
  15 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
  15 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
  15 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
  15 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
  15 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
  15 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
  15 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
  15 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
  15 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
  15 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
  15 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  16 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  16 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  16 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  16 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  16 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  16 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  16 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  16 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  16 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  17 ILE   CHI1    -90.0   210.0 2.00E-01 type=2
  17 ILE   CHI1   -330.0   -30.0 2.00E-01 type=2
  17 ILE   CHI1   -210.0    90.0 2.00E-01 type=2
  17 ILE   CHI21   -90.0   210.0 2.00E-01 type=2
  17 ILE   CHI21  -330.0   -30.0 2.00E-01 type=2
  17 ILE   CHI21  -210.0    90.0 2.00E-01 type=2
  18 SER   CHI1    -90.0   210.0 2.00E-01 type=2
  18 SER   CHI1   -330.0   -30.0 2.00E-01 type=2
  18 SER   CHI1   -210.0    90.0 2.00E-01 type=2
  19 VAL   CHI1    -90.0   210.0 2.00E-01 type=2
  19 VAL   CHI1   -330.0   -30.0 2.00E-01 type=2
  19 VAL   CHI1   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  21 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
  21 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
  21 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
  21 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
  21 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
  21 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
  21 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
  21 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
  21 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
  21 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
  21 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
  21 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  22 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
  22 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
  22 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
  22 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
  22 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
  22 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
  22 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
  22 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
  22 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
  22 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
  22 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
  22 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  23 GLN   CHI1    -90.0   210.0 2.00E-01 type=2
  23 GLN   CHI1   -330.0   -30.0 2.00E-01 type=2
  23 GLN   CHI1   -210.0    90.0 2.00E-01 type=2
  23 GLN   CHI2    -90.0   210.0 2.00E-01 type=2
  23 GLN   CHI2   -330.0   -30.0 2.00E-01 type=2
  23 GLN   CHI2   -210.0    90.0 2.00E-01 type=2
  24 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  24 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  24 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  24 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  24 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  24 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  25 GLN   CHI1    -90.0   210.0 2.00E-01 type=2
  25 GLN   CHI1   -330.0   -30.0 2.00E-01 type=2
  25 GLN   CHI1   -210.0    90.0 2.00E-01 type=2
  25 GLN   CHI2    -90.0   210.0 2.00E-01 type=2
  25 GLN   CHI2   -330.0   -30.0 2.00E-01 type=2
  25 GLN   CHI2   -210.0    90.0 2.00E-01 type=2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H        VAL   1   2.577  -0.911   0.265
    2    HA   VAL   1           HA       VAL   1   1.969   0.369  -2.152
    3    HB   VAL   1           HB       VAL   1   4.130   0.625  -1.007
    4   HG11  VAL   1          1HG1      VAL   1   4.257  -1.889  -0.494
    5   HG12  VAL   1          2HG1      VAL   1   4.959  -2.040  -2.106
    6   HG13  VAL   1          3HG1      VAL   1   5.755  -1.045  -0.886
    7   HG21  VAL   1          3HG2      VAL   1   3.789   1.034  -3.492
    8   HG22  VAL   1          1HG2      VAL   1   5.453   0.830  -2.946
    9   HG23  VAL   1          2HG2      VAL   1   4.621  -0.499  -3.753
   10    H    SER   2           H        SER   2   2.467  -3.001  -1.372
   11    HA   SER   2           HA       SER   2   2.666  -3.841  -4.121
   12    HB2  SER   2           1HB      SER   2   3.806  -5.123  -2.380
   13    HB3  SER   2           2HB      SER   2   2.266  -5.444  -1.583
   14    HG   SER   2           HG       SER   2   3.031  -6.302  -4.179
   15    H    VAL   3           H        VAL   3   0.144  -3.167  -1.911
   16    HA   VAL   3           HA       VAL   3  -1.829  -4.846  -3.185
   17    HB   VAL   3           HB       VAL   3  -2.260  -2.606  -1.205
   18   HG11  VAL   3          1HG1      VAL   3  -4.040  -4.379  -2.644
   19   HG12  VAL   3          2HG1      VAL   3  -4.226  -4.540  -0.896
   20   HG13  VAL   3          3HG1      VAL   3  -4.411  -2.962  -1.663
   21   HG21  VAL   3          3HG2      VAL   3  -2.512  -4.613   0.388
   22   HG22  VAL   3          1HG2      VAL   3  -1.610  -5.509  -0.834
   23   HG23  VAL   3          2HG2      VAL   3  -0.885  -4.101  -0.059
   24    H    ASP   4           H        ASP   4  -0.536  -1.712  -3.653
   25    HA   ASP   4           HA       ASP   4  -2.747  -0.400  -4.798
   26    HB2  ASP   4           1HB      ASP   4  -1.044   1.077  -4.325
   27    HB3  ASP   4           2HB      ASP   4   0.212  -0.029  -4.873
   28    HA   PRO   5           HA       PRO   5  -1.017  -1.974  -9.042
   29    HB2  PRO   5           1HB      PRO   5   0.736  -4.045  -8.945
   30    HB3  PRO   5           2HB      PRO   5   1.245  -2.353  -8.913
   31    HG2  PRO   5           1HG      PRO   5   0.926  -4.278  -6.643
   32    HG3  PRO   5           2HG      PRO   5   2.225  -3.108  -6.944
   33    HD2  PRO   5           1HD      PRO   5   0.216  -2.637  -5.190
   34    HD3  PRO   5           2HD      PRO   5   0.994  -1.341  -6.122
   35    H    PHE   6           H        PHE   6  -2.115  -3.774  -6.409
   36    HA   PHE   6           HA       PHE   6  -3.086  -5.956  -8.121
   37    HB2  PHE   6           1HB      PHE   6  -2.295  -5.768  -5.295
   38    HB3  PHE   6           2HB      PHE   6  -3.774  -6.681  -5.574
   39    HD1  PHE   6           HD2      PHE   6  -3.736  -8.709  -6.958
   40    HD2  PHE   6           HD1      PHE   6  -0.171  -6.603  -5.972
   41    HE1  PHE   6           HE2      PHE   6  -2.402 -10.671  -7.606
   42    HE2  PHE   6           HE1      PHE   6   1.169  -8.563  -6.620
   43    HZ   PHE   6           HZ       PHE   6   0.053 -10.601  -7.437
   44    H    TYR   7           H        TYR   7  -4.057  -3.064  -6.761
   45    HA   TYR   7           HA       TYR   7  -6.664  -3.572  -5.892
   46    HB2  TYR   7           1HB      TYR   7  -5.128  -1.210  -6.760
   47    HB3  TYR   7           2HB      TYR   7  -6.873  -1.067  -6.945
   48    HD1  TYR   7           HD2      TYR   7  -7.836  -2.589  -4.608
   49    HD2  TYR   7           HD1      TYR   7  -4.612   0.167  -4.951
   50    HE1  TYR   7           HE2      TYR   7  -8.049  -2.051  -2.218
   51    HE2  TYR   7           HE1      TYR   7  -4.816   0.711  -2.561
   52    HH   TYR   7           HH       TYR   7  -7.321  -0.794  -0.541
   53    H    GLU   8           H        GLU   8  -5.569  -2.439  -9.093
   54    HA   GLU   8           HA       GLU   8  -8.074  -2.516 -10.338
   55    HB2  GLU   8           1HB      GLU   8  -6.893  -2.376 -12.422
   56    HB3  GLU   8           2HB      GLU   8  -6.032  -1.398 -11.241
   57    HG2  GLU   8           1HG      GLU   8  -4.680  -3.657 -10.924
   58    HG3  GLU   8           2HG      GLU   8  -5.222  -3.910 -12.582
   59    H    MET   9           H        MET   9  -5.949  -5.049  -9.421
   60    HA   MET   9           HA       MET   9  -6.980  -6.986 -11.294
   61    HB2  MET   9           1HB      MET   9  -5.449  -7.665  -8.801
   62    HB3  MET   9           2HB      MET   9  -5.474  -8.511 -10.342
   63    HG2  MET   9           1HG      MET   9  -4.204  -5.835  -9.812
   64    HG3  MET   9           2HG      MET   9  -3.361  -7.372  -9.993
   65    HE1  MET   9           3HE      MET   9  -2.162  -6.221 -13.367
   66    HE2  MET   9           1HE      MET   9  -1.962  -5.661 -11.706
   67    HE3  MET   9           2HE      MET   9  -1.915  -7.387 -12.066
   68    H    LEU  10           H        LEU  10  -7.014  -6.836  -7.726
   69    HA   LEU  10           HA       LEU  10  -9.009  -8.785  -7.403
   70    HB2  LEU  10           1HB      LEU  10  -8.443  -6.513  -5.513
   71    HB3  LEU  10           2HB      LEU  10  -9.127  -8.090  -5.123
   72    HG   LEU  10           HG       LEU  10  -6.389  -8.009  -6.278
   73   HD11  LEU  10          1HD1      LEU  10  -6.674  -7.654  -3.338
   74   HD12  LEU  10          2HD1      LEU  10  -6.745  -6.231  -4.377
   75   HD13  LEU  10          3HD1      LEU  10  -5.319  -7.267  -4.399
   76   HD21  LEU  10          3HD2      LEU  10  -6.640  -9.671  -4.017
   77   HD22  LEU  10          1HD2      LEU  10  -6.536 -10.148  -5.712
   78   HD23  LEU  10          2HD2      LEU  10  -8.112  -9.874  -4.968
   79    H    ALA  11           H        ALA  11  -9.203  -5.246  -7.515
   80    HA   ALA  11           HA       ALA  11 -11.995  -5.097  -7.049
   81    HB1  ALA  11           1HB      ALA  11 -10.188  -3.255  -6.870
   82    HB2  ALA  11           2HB      ALA  11 -10.497  -3.014  -8.589
   83    HB3  ALA  11           3HB      ALA  11 -11.805  -2.818  -7.422
   84    H    ALA  12           H        ALA  12 -10.286  -4.268 -10.068
   85    HA   ALA  12           HA       ALA  12 -12.645  -4.636 -11.638
   86    HB1  ALA  12           1HB      ALA  12 -10.078  -4.605 -13.059
   87    HB2  ALA  12           2HB      ALA  12 -11.507  -3.592 -13.268
   88    HB3  ALA  12           3HB      ALA  12 -10.349  -3.230 -11.988
   89    H    ARG  13           H        ARG  13 -13.411  -6.462 -12.464
   90    HA   ARG  13           HA       ARG  13 -11.992  -8.932 -12.148
   91    HB2  ARG  13           1HB      ARG  13 -13.993  -9.934 -12.509
   92    HB3  ARG  13           2HB      ARG  13 -14.615  -8.316 -12.209
   93    HG2  ARG  13           1HG      ARG  13 -14.048  -9.503 -14.918
   94    HG3  ARG  13           2HG      ARG  13 -15.640  -9.335 -14.174
   95    HD2  ARG  13           1HD      ARG  13 -14.278  -6.816 -14.118
   96    HD3  ARG  13           2HD      ARG  13 -14.258  -7.462 -15.759
   97    HE   ARG  13           HE       ARG  13 -16.551  -7.214 -15.865
   98   HH11  ARG  13          1HH1      ARG  13 -15.424  -6.629 -12.624
   99   HH12  ARG  13          2HH1      ARG  13 -16.929  -5.964 -12.081
  100   HH21  ARG  13          1HH2      ARG  13 -18.538  -6.341 -15.162
  101   HH22  ARG  13          2HH2      ARG  13 -18.700  -5.802 -13.525
  102    H    LYS  14           H        LYS  14 -11.775  -6.533 -14.407
  103    HA   LYS  14           HA       LYS  14 -11.679  -7.907 -16.853
  104    HB2  LYS  14           1HB      LYS  14 -10.029  -5.493 -16.093
  105    HB3  LYS  14           2HB      LYS  14 -10.499  -5.989 -17.714
  106    HG2  LYS  14           1HG      LYS  14 -12.884  -5.632 -17.027
  107    HG3  LYS  14           2HG      LYS  14 -12.272  -4.914 -15.536
  108    HD2  LYS  14           1HD      LYS  14 -11.228  -3.913 -18.141
  109    HD3  LYS  14           2HD      LYS  14 -12.846  -3.425 -17.633
  110    HE2  LYS  14           1HE      LYS  14 -11.685  -2.847 -15.385
  111    HE3  LYS  14           2HE      LYS  14 -10.203  -2.870 -16.340
  112    HZ1  LYS  14           3HZ      LYS  14 -10.712  -0.936 -17.300
  113    HZ2  LYS  14           1HZ      LYS  14 -11.829  -0.737 -16.045
  114    HZ3  LYS  14           2HZ      LYS  14 -12.335  -1.351 -17.538
  115    H    LYS  15           H        LYS  15  -9.564  -7.954 -14.178
  116    HA   LYS  15           HA       LYS  15  -7.094  -8.449 -15.398
  117    HB2  LYS  15           1HB      LYS  15  -7.493  -7.994 -12.959
  118    HB3  LYS  15           2HB      LYS  15  -8.072  -9.647 -12.802
  119    HG2  LYS  15           1HG      LYS  15  -5.402  -9.266 -14.020
  120    HG3  LYS  15           2HG      LYS  15  -5.560  -8.945 -12.292
  121    HD2  LYS  15           1HD      LYS  15  -6.787 -11.440 -13.313
  122    HD3  LYS  15           2HD      LYS  15  -5.024 -11.373 -13.275
  123    HE2  LYS  15           1HE      LYS  15  -5.181 -10.677 -10.883
  124    HE3  LYS  15           2HE      LYS  15  -6.918 -10.962 -10.966
  125    HZ1  LYS  15           3HZ      LYS  15  -5.808 -13.255 -11.945
  126    HZ2  LYS  15           1HZ      LYS  15  -6.443 -13.041 -10.392
  127    HZ3  LYS  15           2HZ      LYS  15  -4.786 -12.839 -10.663
  128    H    ARG  16           H        ARG  16  -9.302 -10.869 -13.975
  129    HA   ARG  16           HA       ARG  16  -7.998 -13.103 -15.044
  130    HB2  ARG  16           1HB      ARG  16  -9.870 -14.373 -14.344
  131    HB3  ARG  16           2HB      ARG  16  -9.723 -13.058 -13.186
  132    HG2  ARG  16           1HG      ARG  16 -11.426 -11.896 -14.847
  133    HG3  ARG  16           2HG      ARG  16 -11.817 -13.577 -15.217
  134    HD2  ARG  16           1HD      ARG  16 -11.750 -13.644 -12.508
  135    HD3  ARG  16           2HD      ARG  16 -12.325 -12.001 -12.787
  136    HE   ARG  16           HE       ARG  16 -14.336 -12.886 -13.378
  137   HH11  ARG  16          1HH1      ARG  16 -11.892 -15.325 -13.817
  138   HH12  ARG  16          2HH1      ARG  16 -13.021 -16.562 -14.261
  139   HH21  ARG  16          1HH2      ARG  16 -15.832 -14.505 -13.960
  140   HH22  ARG  16          2HH2      ARG  16 -15.262 -16.095 -14.343
  141    H    ILE  17           H        ILE  17 -10.070 -10.806 -16.515
  142    HA   ILE  17           HA       ILE  17 -10.931 -12.512 -18.674
  143    HB   ILE  17           HB       ILE  17 -11.097  -9.509 -18.391
  144   HG12  ILE  17          1HG1      ILE  17 -13.232 -11.612 -17.981
  145   HG13  ILE  17          2HG1      ILE  17 -12.351 -10.823 -16.678
  146   HG21  ILE  17          1HG2      ILE  17 -13.097 -10.488 -20.103
  147   HG22  ILE  17          2HG2      ILE  17 -11.713  -9.481 -20.523
  148   HG23  ILE  17          3HG2      ILE  17 -11.587 -11.237 -20.622
  149   HD11  ILE  17          3HD1      ILE  17 -14.710  -9.981 -17.410
  150   HD12  ILE  17          1HD1      ILE  17 -13.445  -8.837 -16.959
  151   HD13  ILE  17          2HD1      ILE  17 -13.792  -9.143 -18.662
  152    H    SER  18           H        SER  18  -8.501 -10.000 -18.177
  153    HA   SER  18           HA       SER  18  -7.624 -10.071 -20.923
  154    HB2  SER  18           1HB      SER  18  -7.518  -8.034 -19.402
  155    HB3  SER  18           2HB      SER  18  -6.165  -8.821 -18.591
  156    HG   SER  18           HG       SER  18  -5.030  -7.914 -20.110
  157    H    VAL  19           H        VAL  19  -7.318 -12.230 -18.524
  158    HA   VAL  19           HA       VAL  19  -4.599 -12.864 -18.381
  159    HB   VAL  19           HB       VAL  19  -6.479 -13.820 -16.967
  160   HG11  VAL  19          1HG1      VAL  19  -7.621 -14.593 -19.231
  161   HG12  VAL  19          2HG1      VAL  19  -6.687 -16.055 -18.909
  162   HG13  VAL  19          3HG1      VAL  19  -7.854 -15.473 -17.721
  163   HG21  VAL  19          3HG2      VAL  19  -5.170 -16.255 -17.448
  164   HG22  VAL  19          1HG2      VAL  19  -4.007 -14.988 -17.838
  165   HG23  VAL  19          2HG2      VAL  19  -4.761 -15.033 -16.245
  166    H    LYS  20           H        LYS  20  -3.254 -14.145 -19.575
  167    HA   LYS  20           HA       LYS  20  -3.719 -14.365 -22.343
  168    HB2  LYS  20           1HB      LYS  20  -1.671 -15.819 -20.659
  169    HB3  LYS  20           2HB      LYS  20  -1.621 -15.632 -22.407
  170    HG2  LYS  20           1HG      LYS  20  -1.676 -13.250 -20.593
  171    HG3  LYS  20           2HG      LYS  20  -0.169 -14.084 -20.977
  172    HD2  LYS  20           1HD      LYS  20  -0.713 -13.767 -23.401
  173    HD3  LYS  20           2HD      LYS  20  -2.072 -12.757 -22.903
  174    HE2  LYS  20           1HE      LYS  20  -0.395 -11.360 -21.628
  175    HE3  LYS  20           2HE      LYS  20   0.865 -12.265 -22.464
  176    HZ1  LYS  20           3HZ      LYS  20  -0.116 -11.527 -24.578
  177    HZ2  LYS  20           1HZ      LYS  20   0.424 -10.233 -23.632
  178    HZ3  LYS  20           2HZ      LYS  20  -1.229 -10.581 -23.726
  179    H    LYS  21           H        LYS  21  -4.572 -16.396 -19.720
  180    HA   LYS  21           HA       LYS  21  -4.626 -18.909 -20.957
  181    HB2  LYS  21           1HB      LYS  21  -5.050 -18.171 -18.469
  182    HB3  LYS  21           2HB      LYS  21  -6.732 -18.128 -18.980
  183    HG2  LYS  21           1HG      LYS  21  -6.194 -20.528 -19.886
  184    HG3  LYS  21           2HG      LYS  21  -4.894 -20.450 -18.694
  185    HD2  LYS  21           1HD      LYS  21  -6.556 -21.332 -17.396
  186    HD3  LYS  21           2HD      LYS  21  -6.859 -19.613 -17.135
  187    HE2  LYS  21           1HE      LYS  21  -8.958 -20.628 -17.590
  188    HE3  LYS  21           2HE      LYS  21  -8.503 -19.717 -19.029
  189    HZ1  LYS  21           3HZ      LYS  21  -7.457 -22.204 -19.445
  190    HZ2  LYS  21           1HZ      LYS  21  -8.873 -21.590 -20.139
  191    HZ3  LYS  21           2HZ      LYS  21  -8.957 -22.521 -18.729
  192    H    LYS  22           H        LYS  22  -7.072 -16.351 -20.797
  193    HA   LYS  22           HA       LYS  22  -9.044 -17.826 -22.242
  194    HB2  LYS  22           1HB      LYS  22  -9.698 -16.039 -20.726
  195    HB3  LYS  22           2HB      LYS  22  -8.796 -14.866 -21.677
  196    HG2  LYS  22           1HG      LYS  22 -10.303 -15.191 -23.551
  197    HG3  LYS  22           2HG      LYS  22 -11.185 -16.424 -22.646
  198    HD2  LYS  22           1HD      LYS  22 -12.355 -14.893 -21.507
  199    HD3  LYS  22           2HD      LYS  22 -10.921 -13.914 -21.189
  200    HE2  LYS  22           1HE      LYS  22 -12.055 -12.460 -22.523
  201    HE3  LYS  22           2HE      LYS  22 -11.196 -13.362 -23.770
  202    HZ1  LYS  22           3HZ      LYS  22 -13.564 -13.079 -24.271
  203    HZ2  LYS  22           1HZ      LYS  22 -13.967 -13.935 -22.868
  204    HZ3  LYS  22           2HZ      LYS  22 -13.143 -14.711 -24.125
  205    H    GLN  23           H        GLN  23  -6.289 -15.996 -23.134
  206    HA   GLN  23           HA       GLN  23  -7.177 -15.298 -25.771
  207    HB2  GLN  23           1HB      GLN  23  -4.328 -15.435 -24.788
  208    HB3  GLN  23           2HB      GLN  23  -4.953 -14.490 -26.133
  209    HG2  GLN  23           1HG      GLN  23  -5.746 -14.053 -23.265
  210    HG3  GLN  23           2HG      GLN  23  -4.446 -13.182 -24.076
  211   HE21  GLN  23          2HE2      GLN  23  -7.625 -13.070 -23.243
  212   HE22  GLN  23          1HE2      GLN  23  -8.183 -11.904 -24.388
  213    H    GLU  24           H        GLU  24  -5.862 -18.095 -24.296
  214    HA   GLU  24           HA       GLU  24  -4.692 -19.222 -26.659
  215    HB2  GLU  24           1HB      GLU  24  -5.402 -20.364 -23.961
  216    HB3  GLU  24           2HB      GLU  24  -4.723 -21.347 -25.252
  217    HG2  GLU  24           1HG      GLU  24  -2.721 -20.016 -25.282
  218    HG3  GLU  24           2HG      GLU  24  -3.406 -18.898 -24.103
  219    H    GLN  25           H        GLN  25  -5.464 -21.485 -27.352
  220    HA   GLN  25           HA       GLN  25  -8.181 -21.200 -28.264
  221    HB2  GLN  25           1HB      GLN  25  -6.966 -22.121 -29.962
  222    HB3  GLN  25           2HB      GLN  25  -5.885 -22.977 -28.870
  223    HG2  GLN  25           1HG      GLN  25  -7.301 -24.781 -28.663
  224    HG3  GLN  25           2HG      GLN  25  -8.725 -23.849 -29.122
  225   HE21  GLN  25          2HE2      GLN  25  -7.539 -26.395 -30.137
  226   HE22  GLN  25          1HE2      GLN  25  -7.391 -26.163 -31.842
  227    HA   PRO  26           HA       PRO  26 -10.109 -23.560 -25.079
  228    HB2  PRO  26           1HB      PRO  26 -12.404 -24.189 -26.387
  229    HB3  PRO  26           2HB      PRO  26 -12.071 -22.572 -25.754
  230    HG2  PRO  26           1HG      PRO  26 -11.785 -23.608 -28.548
  231    HG3  PRO  26           2HG      PRO  26 -12.449 -22.061 -27.990
  232    HD2  PRO  26           1HD      PRO  26  -9.938 -22.297 -28.975
  233    HD3  PRO  26           2HD      PRO  26 -10.363 -21.120 -27.716
  Start of MODEL    2
    1    H1   VAL   1           H        VAL   1   2.442  -1.043   0.321
    2    HA   VAL   1           HA       VAL   1   1.997   0.408  -2.097
    3    HB   VAL   1           HB       VAL   1   4.481  -1.118  -1.312
    4   HG11  VAL   1          1HG1      VAL   1   5.588   0.626  -2.715
    5   HG12  VAL   1          2HG1      VAL   1   4.534  -0.467  -3.614
    6   HG13  VAL   1          3HG1      VAL   1   3.986   1.162  -3.219
    7   HG21  VAL   1          3HG2      VAL   1   5.092   1.397  -0.663
    8   HG22  VAL   1          1HG2      VAL   1   3.358   1.446  -0.343
    9   HG23  VAL   1          2HG2      VAL   1   4.375   0.268   0.487
   10    H    SER   2           H        SER   2   2.438  -2.976  -1.277
   11    HA   SER   2           HA       SER   2   2.673  -3.822  -4.021
   12    HB2  SER   2           1HB      SER   2   3.533  -4.956  -1.768
   13    HB3  SER   2           2HB      SER   2   1.965  -5.756  -1.863
   14    HG   SER   2           HG       SER   2   4.211  -6.090  -3.410
   15    H    VAL   3           H        VAL   3   0.123  -3.143  -1.844
   16    HA   VAL   3           HA       VAL   3  -1.834  -4.826  -3.139
   17    HB   VAL   3           HB       VAL   3  -2.280  -2.583  -1.165
   18   HG11  VAL   3          1HG1      VAL   3  -4.374  -4.002  -0.719
   19   HG12  VAL   3          2HG1      VAL   3  -4.342  -3.006  -2.175
   20   HG13  VAL   3          3HG1      VAL   3  -4.038  -4.740  -2.285
   21   HG21  VAL   3          3HG2      VAL   3  -0.960  -4.074   0.025
   22   HG22  VAL   3          1HG2      VAL   3  -2.593  -4.625   0.398
   23   HG23  VAL   3          2HG2      VAL   3  -1.626  -5.482  -0.802
   24    H    ASP   4           H        ASP   4  -0.535  -1.694  -3.601
   25    HA   ASP   4           HA       ASP   4  -2.731  -0.386  -4.779
   26    HB2  ASP   4           1HB      ASP   4  -1.037   1.094  -4.285
   27    HB3  ASP   4           2HB      ASP   4   0.228  -0.012  -4.815
   28    HA   PRO   5           HA       PRO   5  -0.940  -1.971  -8.994
   29    HB2  PRO   5           1HB      PRO   5   0.813  -4.039  -8.866
   30    HB3  PRO   5           2HB      PRO   5   1.321  -2.347  -8.831
   31    HG2  PRO   5           1HG      PRO   5   0.971  -4.266  -6.561
   32    HG3  PRO   5           2HG      PRO   5   2.272  -3.096  -6.846
   33    HD2  PRO   5           1HD      PRO   5   0.238  -2.622  -5.123
   34    HD3  PRO   5           2HD      PRO   5   1.028  -1.328  -6.047
   35    H    PHE   6           H        PHE   6  -2.080  -3.759  -6.374
   36    HA   PHE   6           HA       PHE   6  -3.026  -5.946  -8.095
   37    HB2  PHE   6           1HB      PHE   6  -2.269  -5.756  -5.258
   38    HB3  PHE   6           2HB      PHE   6  -3.742  -6.672  -5.556
   39    HD1  PHE   6           HD1      PHE   6  -3.684  -8.698  -6.942
   40    HD2  PHE   6           HD2      PHE   6  -0.135  -6.589  -5.906
   41    HE1  PHE   6           HE1      PHE   6  -2.338 -10.659  -7.573
   42    HE2  PHE   6           HE2      PHE   6   1.216  -8.546  -6.537
   43    HZ   PHE   6           HZ       PHE   6   0.115 -10.584  -7.372
   44    H    TYR   7           H        TYR   7  -4.013  -3.052  -6.756
   45    HA   TYR   7           HA       TYR   7  -6.629  -3.559  -5.912
   46    HB2  TYR   7           1HB      TYR   7  -5.085  -1.199  -6.771
   47    HB3  TYR   7           2HB      TYR   7  -6.827  -1.057  -6.975
   48    HD1  TYR   7           HD1      TYR   7  -7.815  -2.573  -4.644
   49    HD2  TYR   7           HD2      TYR   7  -4.592   0.186  -4.961
   50    HE1  TYR   7           HE1      TYR   7  -8.054  -2.029  -2.257
   51    HE2  TYR   7           HE2      TYR   7  -4.821   0.737  -2.575
   52    HH   TYR   7           HH       TYR   7  -5.718  -0.314  -0.521
   53    H    GLU   8           H        GLU   8  -5.500  -2.437  -9.105
   54    HA   GLU   8           HA       GLU   8  -7.991  -2.518 -10.376
   55    HB2  GLU   8           1HB      GLU   8  -6.797  -2.359 -12.440
   56    HB3  GLU   8           2HB      GLU   8  -5.914  -1.415 -11.249
   57    HG2  GLU   8           1HG      GLU   8  -4.622  -3.722 -10.965
   58    HG3  GLU   8           2HG      GLU   8  -5.156  -3.914 -12.634
   59    H    MET   9           H        MET   9  -5.876  -5.048  -9.429
   60    HA   MET   9           HA       MET   9  -6.889  -6.991 -11.305
   61    HB2  MET   9           1HB      MET   9  -5.383  -7.663  -8.794
   62    HB3  MET   9           2HB      MET   9  -5.393  -8.514 -10.333
   63    HG2  MET   9           1HG      MET   9  -4.133  -5.831  -9.808
   64    HG3  MET   9           2HG      MET   9  -3.283  -7.368  -9.955
   65    HE1  MET   9           3HE      MET   9  -1.913  -5.858 -11.248
   66    HE2  MET   9           1HE      MET   9  -1.769  -6.688 -12.798
   67    HE3  MET   9           2HE      MET   9  -2.349  -5.024 -12.740
   68    H    LEU  10           H        LEU  10  -6.953  -6.839  -7.738
   69    HA   LEU  10           HA       LEU  10  -8.951  -8.783  -7.426
   70    HB2  LEU  10           1HB      LEU  10  -8.409  -6.502  -5.541
   71    HB3  LEU  10           2HB      LEU  10  -9.094  -8.077  -5.151
   72    HG   LEU  10           HG       LEU  10  -6.344  -7.999  -6.278
   73   HD11  LEU  10          1HD1      LEU  10  -6.732  -6.212  -4.384
   74   HD12  LEU  10          2HD1      LEU  10  -5.295  -7.233  -4.401
   75   HD13  LEU  10          3HD1      LEU  10  -6.648  -7.633  -3.343
   76   HD21  LEU  10          3HD2      LEU  10  -6.693 -10.155  -5.799
   77   HD22  LEU  10          1HD2      LEU  10  -8.069  -9.796  -4.757
   78   HD23  LEU  10          2HD2      LEU  10  -6.428  -9.686  -4.119
   79    H    ALA  11           H        ALA  11  -9.150  -5.245  -7.555
   80    HA   ALA  11           HA       ALA  11 -11.949  -5.103  -7.123
   81    HB1  ALA  11           1HB      ALA  11 -10.159  -3.254  -6.911
   82    HB2  ALA  11           2HB      ALA  11 -10.423  -3.020  -8.640
   83    HB3  ALA  11           3HB      ALA  11 -11.762  -2.821  -7.509
   84    H    ALA  12           H        ALA  12 -10.204  -4.265 -10.119
   85    HA   ALA  12           HA       ALA  12 -12.542  -4.648 -11.719
   86    HB1  ALA  12           1HB      ALA  12 -10.349  -3.160 -12.056
   87    HB2  ALA  12           2HB      ALA  12  -9.889  -4.562 -13.023
   88    HB3  ALA  12           3HB      ALA  12 -11.369  -3.680 -13.398
   89    H    ARG  13           H        ARG  13 -13.325  -6.572 -12.252
   90    HA   ARG  13           HA       ARG  13 -11.680  -8.939 -12.182
   91    HB2  ARG  13           1HB      ARG  13 -14.534  -8.320 -12.251
   92    HB3  ARG  13           2HB      ARG  13 -14.108  -9.687 -13.272
   93    HG2  ARG  13           1HG      ARG  13 -14.694 -10.544 -11.141
   94    HG3  ARG  13           2HG      ARG  13 -12.942 -10.689 -11.300
   95    HD2  ARG  13           1HD      ARG  13 -12.826  -8.444 -10.087
   96    HD3  ARG  13           2HD      ARG  13 -14.520  -8.712  -9.680
   97    HE   ARG  13           HE       ARG  13 -13.835 -10.190  -8.088
   98   HH11  ARG  13          1HH1      ARG  13 -11.291  -9.841 -10.438
   99   HH12  ARG  13          2HH1      ARG  13 -10.170 -10.833  -9.565
  100   HH21  ARG  13          1HH2      ARG  13 -12.369 -11.498  -6.929
  101   HH22  ARG  13          2HH2      ARG  13 -10.785 -11.776  -7.569
  102    H    LYS  14           H        LYS  14 -11.936  -6.590 -14.392
  103    HA   LYS  14           HA       LYS  14 -12.419  -7.915 -16.825
  104    HB2  LYS  14           1HB      LYS  14 -11.217  -6.005 -17.858
  105    HB3  LYS  14           2HB      LYS  14 -12.450  -5.501 -16.709
  106    HG2  LYS  14           1HG      LYS  14 -10.782  -4.132 -16.037
  107    HG3  LYS  14           2HG      LYS  14 -10.366  -5.542 -15.058
  108    HD2  LYS  14           1HD      LYS  14  -9.025  -6.148 -17.299
  109    HD3  LYS  14           2HD      LYS  14  -8.997  -4.387 -17.414
  110    HE2  LYS  14           1HE      LYS  14  -8.347  -4.774 -14.800
  111    HE3  LYS  14           2HE      LYS  14  -7.611  -6.187 -15.554
  112    HZ1  LYS  14           3HZ      LYS  14  -6.594  -4.575 -17.177
  113    HZ2  LYS  14           1HZ      LYS  14  -5.995  -4.501 -15.596
  114    HZ3  LYS  14           2HZ      LYS  14  -7.089  -3.332 -16.142
  115    H    LYS  15           H        LYS  15  -9.791  -8.082 -14.669
  116    HA   LYS  15           HA       LYS  15  -7.644  -8.579 -16.397
  117    HB2  LYS  15           1HB      LYS  15  -7.337  -8.179 -14.009
  118    HB3  LYS  15           2HB      LYS  15  -8.174  -9.679 -13.630
  119    HG2  LYS  15           1HG      LYS  15  -6.102 -10.379 -15.380
  120    HG3  LYS  15           2HG      LYS  15  -5.406  -9.240 -14.225
  121    HD2  LYS  15           1HD      LYS  15  -7.132 -11.484 -13.259
  122    HD3  LYS  15           2HD      LYS  15  -5.442 -11.785 -13.672
  123    HE2  LYS  15           1HE      LYS  15  -4.726 -10.103 -12.080
  124    HE3  LYS  15           2HE      LYS  15  -6.403  -9.697 -11.717
  125    HZ1  LYS  15           3HZ      LYS  15  -6.238 -12.395 -11.302
  126    HZ2  LYS  15           1HZ      LYS  15  -6.261 -11.198 -10.106
  127    HZ3  LYS  15           2HZ      LYS  15  -4.785 -11.801 -10.672
  128    H    ARG  16           H        ARG  16  -9.516 -11.020 -14.583
  129    HA   ARG  16           HA       ARG  16  -8.534 -13.225 -16.006
  130    HB2  ARG  16           1HB      ARG  16 -10.219 -14.507 -14.927
  131    HB3  ARG  16           2HB      ARG  16  -9.743 -13.255 -13.788
  132    HG2  ARG  16           1HG      ARG  16 -11.741 -11.935 -14.690
  133    HG3  ARG  16           2HG      ARG  16 -12.261 -13.468 -15.395
  134    HD2  ARG  16           1HD      ARG  16 -11.710 -14.256 -12.875
  135    HD3  ARG  16           2HD      ARG  16 -12.204 -12.589 -12.580
  136    HE   ARG  16           HE       ARG  16 -14.353 -13.219 -12.997
  137   HH11  ARG  16          1HH1      ARG  16 -12.216 -15.550 -14.452
  138   HH12  ARG  16          2HH1      ARG  16 -13.495 -16.608 -14.948
  139   HH21  ARG  16          1HH2      ARG  16 -16.046 -14.603 -13.644
  140   HH22  ARG  16          2HH2      ARG  16 -15.674 -16.068 -14.489
  141    H    ILE  17           H        ILE  17 -10.848 -10.858 -16.868
  142    HA   ILE  17           HA       ILE  17 -12.250 -12.479 -18.796
  143    HB   ILE  17           HB       ILE  17 -12.259  -9.483 -18.411
  144   HG12  ILE  17          1HG1      ILE  17 -14.333 -11.514 -17.568
  145   HG13  ILE  17          2HG1      ILE  17 -13.096 -10.882 -16.487
  146   HG21  ILE  17          1HG2      ILE  17 -14.638 -10.247 -19.599
  147   HG22  ILE  17          2HG2      ILE  17 -13.284  -9.440 -20.388
  148   HG23  ILE  17          3HG2      ILE  17 -13.416 -11.198 -20.442
  149   HD11  ILE  17          3HD1      ILE  17 -14.353  -8.663 -17.678
  150   HD12  ILE  17          1HD1      ILE  17 -15.625  -9.772 -17.168
  151   HD13  ILE  17          2HD1      ILE  17 -14.435  -9.197 -16.000
  152    H    SER  18           H        SER  18  -9.701 -10.038 -18.842
  153    HA   SER  18           HA       SER  18  -9.517 -10.043 -21.719
  154    HB2  SER  18           1HB      SER  18  -8.992  -8.048 -20.252
  155    HB3  SER  18           2HB      SER  18  -7.524  -8.892 -19.759
  156    HG   SER  18           HG       SER  18  -7.599  -7.341 -21.716
  157    H    VAL  19           H        VAL  19  -8.708 -12.286 -19.526
  158    HA   VAL  19           HA       VAL  19  -6.054 -12.984 -20.056
  159    HB   VAL  19           HB       VAL  19  -7.567 -13.948 -18.261
  160   HG11  VAL  19          1HG1      VAL  19  -8.396 -15.794 -20.497
  161   HG12  VAL  19          2HG1      VAL  19  -8.870 -15.910 -18.801
  162   HG13  VAL  19          3HG1      VAL  19  -9.420 -14.550 -19.780
  163   HG21  VAL  19          3HG2      VAL  19  -5.482 -15.247 -19.822
  164   HG22  VAL  19          1HG2      VAL  19  -5.679 -15.126 -18.073
  165   HG23  VAL  19          2HG2      VAL  19  -6.515 -16.394 -18.969
  166    H    LYS  20           H        LYS  20  -5.067 -14.232 -21.582
  167    HA   LYS  20           HA       LYS  20  -6.431 -14.521 -24.102
  168    HB2  LYS  20           1HB      LYS  20  -3.648 -15.425 -23.347
  169    HB3  LYS  20           2HB      LYS  20  -4.279 -15.218 -24.975
  170    HG2  LYS  20           1HG      LYS  20  -3.964 -12.989 -22.976
  171    HG3  LYS  20           2HG      LYS  20  -2.790 -13.385 -24.234
  172    HD2  LYS  20           1HD      LYS  20  -4.580 -13.030 -25.927
  173    HD3  LYS  20           2HD      LYS  20  -5.644 -12.487 -24.627
  174    HE2  LYS  20           1HE      LYS  20  -2.978 -11.202 -24.870
  175    HE3  LYS  20           2HE      LYS  20  -4.198 -10.795 -26.076
  176    HZ1  LYS  20           3HZ      LYS  20  -4.338 -10.407 -23.144
  177    HZ2  LYS  20           1HZ      LYS  20  -5.707 -10.321 -24.134
  178    HZ3  LYS  20           2HZ      LYS  20  -4.431  -9.233 -24.358
  179    H    LYS  21           H        LYS  21  -6.154 -16.417 -21.363
  180    HA   LYS  21           HA       LYS  21  -5.833 -19.004 -22.382
  181    HB2  LYS  21           1HB      LYS  21  -7.319 -17.979 -19.964
  182    HB3  LYS  21           2HB      LYS  21  -7.136 -19.692 -20.314
  183    HG2  LYS  21           1HG      LYS  21  -4.718 -19.480 -20.187
  184    HG3  LYS  21           2HG      LYS  21  -4.876 -17.748 -19.885
  185    HD2  LYS  21           1HD      LYS  21  -4.507 -18.897 -17.794
  186    HD3  LYS  21           2HD      LYS  21  -6.154 -18.262 -17.830
  187    HE2  LYS  21           1HE      LYS  21  -6.096 -20.532 -16.931
  188    HE3  LYS  21           2HE      LYS  21  -7.000 -20.465 -18.443
  189    HZ1  LYS  21           3HZ      LYS  21  -5.355 -21.577 -19.578
  190    HZ2  LYS  21           1HZ      LYS  21  -5.283 -22.337 -18.068
  191    HZ3  LYS  21           2HZ      LYS  21  -4.140 -21.159 -18.476
  192    H    LYS  22           H        LYS  22  -8.892 -17.406 -21.465
  193    HA   LYS  22           HA       LYS  22 -10.577 -19.337 -22.596
  194    HB2  LYS  22           1HB      LYS  22 -12.338 -17.625 -22.444
  195    HB3  LYS  22           2HB      LYS  22 -11.379 -17.709 -20.972
  196    HG2  LYS  22           1HG      LYS  22 -10.020 -15.783 -22.108
  197    HG3  LYS  22           2HG      LYS  22 -11.507 -15.567 -23.035
  198    HD2  LYS  22           1HD      LYS  22 -11.643 -15.798 -20.059
  199    HD3  LYS  22           2HD      LYS  22 -11.149 -14.270 -20.792
  200    HE2  LYS  22           1HE      LYS  22 -13.433 -13.993 -20.605
  201    HE3  LYS  22           2HE      LYS  22 -13.275 -14.593 -22.255
  202    HZ1  LYS  22           3HZ      LYS  22 -15.056 -15.708 -21.044
  203    HZ2  LYS  22           1HZ      LYS  22 -13.948 -16.255 -19.888
  204    HZ3  LYS  22           2HZ      LYS  22 -13.841 -16.799 -21.485
  205    H    GLN  23           H        GLN  23  -8.698 -16.872 -24.055
  206    HA   GLN  23           HA       GLN  23 -10.268 -16.592 -26.437
  207    HB2  GLN  23           1HB      GLN  23  -7.352 -15.906 -26.058
  208    HB3  GLN  23           2HB      GLN  23  -8.443 -15.269 -27.281
  209    HG2  GLN  23           1HG      GLN  23  -8.831 -14.839 -24.332
  210    HG3  GLN  23           2HG      GLN  23  -7.938 -13.731 -25.372
  211   HE21  GLN  23          2HE2      GLN  23  -9.082 -12.059 -25.994
  212   HE22  GLN  23          1HE2      GLN  23 -10.783 -12.034 -26.294
  213    H    GLU  24           H        GLU  24 -10.534 -18.884 -26.899
  214    HA   GLU  24           HA       GLU  24  -8.229 -20.414 -27.705
  215    HB2  GLU  24           1HB      GLU  24  -9.780 -22.180 -28.200
  216    HB3  GLU  24           2HB      GLU  24 -10.254 -21.443 -26.676
  217    HG2  GLU  24           1HG      GLU  24 -11.897 -20.061 -28.025
  218    HG3  GLU  24           2HG      GLU  24 -11.557 -21.158 -29.362
  219    H    GLN  25           H        GLN  25  -9.795 -17.920 -29.115
  220    HA   GLN  25           HA       GLN  25 -10.039 -18.888 -31.801
  221    HB2  GLN  25           1HB      GLN  25 -10.304 -16.249 -30.443
  222    HB3  GLN  25           2HB      GLN  25 -10.039 -16.258 -32.182
  223    HG2  GLN  25           1HG      GLN  25 -12.295 -17.590 -30.701
  224    HG3  GLN  25           2HG      GLN  25 -12.395 -16.144 -31.705
  225   HE21  GLN  25          2HE2      GLN  25 -12.406 -16.337 -33.915
  226   HE22  GLN  25          1HE2      GLN  25 -12.578 -17.852 -34.727
  227    HA   PRO  26           HA       PRO  26  -5.979 -18.315 -33.356
  228    HB2  PRO  26           1HB      PRO  26  -6.434 -17.268 -35.819
  229    HB3  PRO  26           2HB      PRO  26  -6.777 -18.954 -35.414
  230    HG2  PRO  26           1HG      PRO  26  -8.649 -16.622 -35.558
  231    HG3  PRO  26           2HG      PRO  26  -8.878 -18.278 -36.148
  232    HD2  PRO  26           1HD      PRO  26  -9.947 -17.401 -33.821
  233    HD3  PRO  26           2HD      PRO  26  -9.427 -19.081 -34.059
  Start of MODEL    3
    1    H1   VAL   1           H        VAL   1   2.765  -0.831   0.013
    2    HA   VAL   1           HA       VAL   1   1.954   0.415  -2.387
    3    HB   VAL   1           HB       VAL   1   4.287   0.212  -3.097
    4   HG11  VAL   1          1HG1      VAL   1   5.328   1.412  -1.220
    5   HG12  VAL   1          2HG1      VAL   1   3.704   2.007  -1.571
    6   HG13  VAL   1          3HG1      VAL   1   3.977   0.946  -0.188
    7   HG21  VAL   1          3HG2      VAL   1   4.583  -1.547  -0.665
    8   HG22  VAL   1          1HG2      VAL   1   4.771  -2.031  -2.350
    9   HG23  VAL   1          2HG2      VAL   1   5.923  -0.914  -1.620
   10    H    SER   2           H        SER   2   2.483  -2.906  -1.511
   11    HA   SER   2           HA       SER   2   2.625  -3.862  -4.225
   12    HB2  SER   2           1HB      SER   2   3.600  -4.931  -2.032
   13    HB3  SER   2           2HB      SER   2   1.993  -5.645  -1.900
   14    HG   SER   2           HG       SER   2   3.852  -6.708  -3.196
   15    H    VAL   3           H        VAL   3   0.149  -3.071  -1.999
   16    HA   VAL   3           HA       VAL   3  -1.863  -4.780  -3.170
   17    HB   VAL   3           HB       VAL   3  -2.256  -2.454  -1.286
   18   HG11  VAL   3          1HG1      VAL   3  -4.031  -4.437  -2.515
   19   HG12  VAL   3          2HG1      VAL   3  -4.224  -4.261  -0.770
   20   HG13  VAL   3          3HG1      VAL   3  -4.398  -2.857  -1.824
   21   HG21  VAL   3          3HG2      VAL   3  -2.548  -4.690   0.232
   22   HG22  VAL   3          1HG2      VAL   3  -1.236  -5.169  -0.846
   23   HG23  VAL   3          2HG2      VAL   3  -1.077  -3.721   0.149
   24    H    ASP   4           H        ASP   4  -0.547  -1.682  -3.788
   25    HA   ASP   4           HA       ASP   4  -2.764  -0.391  -4.944
   26    HB2  ASP   4           1HB      ASP   4  -0.030   0.176  -4.548
   27    HB3  ASP   4           2HB      ASP   4  -0.319   0.339  -6.278
   28    HA   PRO   5           HA       PRO   5  -1.136  -2.155  -9.153
   29    HB2  PRO   5           1HB      PRO   5   0.599  -4.239  -9.007
   30    HB3  PRO   5           2HB      PRO   5   1.125  -2.552  -9.053
   31    HG2  PRO   5           1HG      PRO   5   0.833  -4.381  -6.702
   32    HG3  PRO   5           2HG      PRO   5   2.136  -3.238  -7.075
   33    HD2  PRO   5           1HD      PRO   5   0.168  -2.675  -5.302
   34    HD3  PRO   5           2HD      PRO   5   0.939  -1.427  -6.301
   35    H    PHE   6           H        PHE   6  -2.200  -3.835  -6.429
   36    HA   PHE   6           HA       PHE   6  -3.215  -6.082  -8.025
   37    HB2  PHE   6           1HB      PHE   6  -2.391  -5.764  -5.222
   38    HB3  PHE   6           2HB      PHE   6  -3.887  -6.668  -5.436
   39    HD1  PHE   6           HD2      PHE   6  -3.897  -8.773  -6.684
   40    HD2  PHE   6           HD1      PHE   6  -0.287  -6.655  -5.913
   41    HE1  PHE   6           HE2      PHE   6  -2.600 -10.786  -7.249
   42    HE2  PHE   6           HE1      PHE   6   1.016  -8.665  -6.477
   43    HZ   PHE   6           HZ       PHE   6  -0.140 -10.734  -7.145
   44    H    TYR   7           H        TYR   7  -4.147  -3.117  -6.805
   45    HA   TYR   7           HA       TYR   7  -6.750  -3.555  -5.887
   46    HB2  TYR   7           1HB      TYR   7  -5.220  -1.247  -6.926
   47    HB3  TYR   7           2HB      TYR   7  -6.971  -1.108  -7.027
   48    HD1  TYR   7           HD2      TYR   7  -7.815  -2.511  -4.574
   49    HD2  TYR   7           HD1      TYR   7  -4.607   0.209  -5.213
   50    HE1  TYR   7           HE2      TYR   7  -7.903  -1.860  -2.204
   51    HE2  TYR   7           HE1      TYR   7  -4.685   0.867  -2.844
   52    HH   TYR   7           HH       TYR   7  -5.475  -0.198  -0.664
   53    H    GLU   8           H        GLU   8  -5.676  -2.594  -9.151
   54    HA   GLU   8           HA       GLU   8  -8.193  -2.711 -10.366
   55    HB2  GLU   8           1HB      GLU   8  -7.014  -2.729 -12.476
   56    HB3  GLU   8           2HB      GLU   8  -6.194  -1.640 -11.365
   57    HG2  GLU   8           1HG      GLU   8  -4.793  -3.847 -10.871
   58    HG3  GLU   8           2HG      GLU   8  -5.294  -4.206 -12.522
   59    H    MET   9           H        MET   9  -6.077  -5.213  -9.349
   60    HA   MET   9           HA       MET   9  -7.143  -7.230 -11.113
   61    HB2  MET   9           1HB      MET   9  -5.581  -7.791  -8.608
   62    HB3  MET   9           2HB      MET   9  -5.640  -8.722 -10.099
   63    HG2  MET   9           1HG      MET   9  -4.326  -6.041  -9.725
   64    HG3  MET   9           2HG      MET   9  -3.512  -7.597  -9.866
   65    HE1  MET   9           3HE      MET   9  -2.267  -6.886 -13.147
   66    HE2  MET   9           1HE      MET   9  -2.069  -7.365 -11.461
   67    HE3  MET   9           2HE      MET   9  -2.760  -8.497 -12.623
   68    H    LEU  10           H        LEU  10  -7.117  -6.937  -7.554
   69    HA   LEU  10           HA       LEU  10  -9.130  -8.841  -7.120
   70    HB2  LEU  10           1HB      LEU  10  -8.519  -6.499  -5.332
   71    HB3  LEU  10           2HB      LEU  10  -9.200  -8.057  -4.870
   72    HG   LEU  10           HG       LEU  10  -6.482  -8.033  -6.073
   73   HD11  LEU  10          1HD1      LEU  10  -5.375  -7.246  -4.222
   74   HD12  LEU  10          2HD1      LEU  10  -6.745  -7.527  -3.147
   75   HD13  LEU  10          3HD1      LEU  10  -6.770  -6.167  -4.268
   76   HD21  LEU  10          3HD2      LEU  10  -7.736 -10.100  -5.411
   77   HD22  LEU  10          1HD2      LEU  10  -7.618  -9.557  -3.737
   78   HD23  LEU  10          2HD2      LEU  10  -6.154  -9.916  -4.652
   79    H    ALA  11           H        ALA  11  -9.286  -5.311  -7.393
   80    HA   ALA  11           HA       ALA  11 -12.101  -5.169  -6.937
   81    HB1  ALA  11           1HB      ALA  11 -11.910  -2.845  -7.537
   82    HB2  ALA  11           2HB      ALA  11 -10.549  -3.290  -6.507
   83    HB3  ALA  11           3HB      ALA  11 -10.319  -3.121  -8.247
   84    H    ALA  12           H        ALA  12 -10.346  -4.186  -9.876
   85    HA   ALA  12           HA       ALA  12 -12.652  -4.599 -11.516
   86    HB1  ALA  12           1HB      ALA  12 -10.292  -3.160 -11.743
   87    HB2  ALA  12           2HB      ALA  12 -10.171  -4.401 -12.991
   88    HB3  ALA  12           3HB      ALA  12 -11.557  -3.311 -12.963
   89    H    ARG  13           H        ARG  13 -13.231  -6.333 -12.676
   90    HA   ARG  13           HA       ARG  13 -11.755  -8.787 -12.335
   91    HB2  ARG  13           1HB      ARG  13 -14.164  -8.459 -14.102
   92    HB3  ARG  13           2HB      ARG  13 -13.635  -9.884 -13.218
   93    HG2  ARG  13           1HG      ARG  13 -14.808  -7.375 -12.039
   94    HG3  ARG  13           2HG      ARG  13 -15.594  -8.949 -12.177
   95    HD2  ARG  13           1HD      ARG  13 -13.133  -9.367 -10.862
   96    HD3  ARG  13           2HD      ARG  13 -13.883  -7.960 -10.110
   97    HE   ARG  13           HE       ARG  13 -15.519  -9.323  -9.249
   98   HH11  ARG  13          1HH1      ARG  13 -13.696 -11.061 -11.652
   99   HH12  ARG  13          2HH1      ARG  13 -14.410 -12.594 -11.273
  100   HH21  ARG  13          1HH2      ARG  13 -16.466 -11.335  -8.741
  101   HH22  ARG  13          2HH2      ARG  13 -15.986 -12.748  -9.618
  102    H    LYS  14           H        LYS  14 -11.294  -6.279 -14.331
  103    HA   LYS  14           HA       LYS  14 -11.115  -7.363 -16.906
  104    HB2  LYS  14           1HB      LYS  14  -9.902  -5.031 -15.504
  105    HB3  LYS  14           2HB      LYS  14  -9.194  -5.523 -17.037
  106    HG2  LYS  14           1HG      LYS  14 -10.721  -4.034 -17.804
  107    HG3  LYS  14           2HG      LYS  14 -11.728  -5.483 -17.801
  108    HD2  LYS  14           1HD      LYS  14 -13.112  -4.030 -16.699
  109    HD3  LYS  14           2HD      LYS  14 -12.233  -4.714 -15.330
  110    HE2  LYS  14           1HE      LYS  14 -10.899  -2.814 -15.087
  111    HE3  LYS  14           2HE      LYS  14 -11.260  -2.239 -16.714
  112    HZ1  LYS  14           3HZ      LYS  14 -13.587  -2.484 -15.046
  113    HZ2  LYS  14           1HZ      LYS  14 -13.078  -1.189 -16.007
  114    HZ3  LYS  14           2HZ      LYS  14 -12.457  -1.378 -14.446
  115    H    LYS  15           H        LYS  15  -9.176  -7.867 -14.128
  116    HA   LYS  15           HA       LYS  15  -6.699  -8.485 -15.275
  117    HB2  LYS  15           1HB      LYS  15  -7.036  -8.200 -12.859
  118    HB3  LYS  15           2HB      LYS  15  -7.990  -9.676 -12.813
  119    HG2  LYS  15           1HG      LYS  15  -5.794 -10.704 -13.862
  120    HG3  LYS  15           2HG      LYS  15  -5.056  -9.316 -13.059
  121    HD2  LYS  15           1HD      LYS  15  -4.965 -10.774 -11.323
  122    HD3  LYS  15           2HD      LYS  15  -6.608 -10.185 -11.062
  123    HE2  LYS  15           1HE      LYS  15  -6.821 -12.505 -10.950
  124    HE3  LYS  15           2HE      LYS  15  -7.329 -12.113 -12.592
  125    HZ1  LYS  15           3HZ      LYS  15  -5.403 -13.920 -11.870
  126    HZ2  LYS  15           1HZ      LYS  15  -4.525 -12.593 -12.444
  127    HZ3  LYS  15           2HZ      LYS  15  -5.688 -13.327 -13.428
  128    H    ARG  16           H        ARG  16  -9.225 -10.777 -14.215
  129    HA   ARG  16           HA       ARG  16  -8.067 -13.039 -15.396
  130    HB2  ARG  16           1HB      ARG  16 -10.106 -14.162 -14.937
  131    HB3  ARG  16           2HB      ARG  16  -9.896 -12.985 -13.648
  132    HG2  ARG  16           1HG      ARG  16 -11.348 -11.565 -15.466
  133    HG3  ARG  16           2HG      ARG  16 -11.981 -13.198 -15.682
  134    HD2  ARG  16           1HD      ARG  16 -11.850 -12.977 -12.957
  135    HD3  ARG  16           2HD      ARG  16 -12.283 -11.339 -13.445
  136    HE   ARG  16           HE       ARG  16 -14.371 -12.112 -13.913
  137   HH11  ARG  16          1HH1      ARG  16 -12.155 -14.793 -14.041
  138   HH12  ARG  16          2HH1      ARG  16 -13.393 -15.972 -14.320
  139   HH21  ARG  16          1HH2      ARG  16 -16.011 -13.655 -14.280
  140   HH22  ARG  16          2HH2      ARG  16 -15.586 -15.323 -14.457
  141    H    ILE  17           H        ILE  17  -9.782 -10.420 -16.778
  142    HA   ILE  17           HA       ILE  17 -10.661 -11.841 -19.130
  143    HB   ILE  17           HB       ILE  17 -10.549  -8.870 -18.596
  144   HG12  ILE  17          1HG1      ILE  17 -12.940 -10.716 -18.518
  145   HG13  ILE  17          2HG1      ILE  17 -12.030 -10.249 -17.085
  146   HG21  ILE  17          1HG2      ILE  17 -11.229 -10.436 -20.956
  147   HG22  ILE  17          2HG2      ILE  17 -12.509  -9.327 -20.466
  148   HG23  ILE  17          3HG2      ILE  17 -10.890  -8.713 -20.798
  149   HD11  ILE  17          3HD1      ILE  17 -12.761  -7.917 -18.575
  150   HD12  ILE  17          1HD1      ILE  17 -14.183  -8.912 -18.264
  151   HD13  ILE  17          2HD1      ILE  17 -13.176  -8.368 -16.921
  152    H    SER  18           H        SER  18  -8.096  -9.536 -18.315
  153    HA   SER  18           HA       SER  18  -7.019  -9.561 -20.987
  154    HB2  SER  18           1HB      SER  18  -6.008  -8.377 -18.395
  155    HB3  SER  18           2HB      SER  18  -5.166  -8.213 -19.936
  156    HG   SER  18           HG       SER  18  -6.687  -6.885 -20.650
  157    H    VAL  19           H        VAL  19  -6.659 -11.431 -18.141
  158    HA   VAL  19           HA       VAL  19  -4.020 -12.331 -18.376
  159    HB   VAL  19           HB       VAL  19  -5.699 -12.741 -16.470
  160   HG11  VAL  19          1HG1      VAL  19  -7.161 -14.017 -18.316
  161   HG12  VAL  19          2HG1      VAL  19  -6.249 -15.384 -17.673
  162   HG13  VAL  19          3HG1      VAL  19  -7.237 -14.397 -16.595
  163   HG21  VAL  19          3HG2      VAL  19  -3.964 -13.891 -15.696
  164   HG22  VAL  19          1HG2      VAL  19  -4.493 -15.304 -16.609
  165   HG23  VAL  19          2HG2      VAL  19  -3.385 -14.145 -17.343
  166    H    LYS  20           H        LYS  20  -3.092 -14.114 -19.367
  167    HA   LYS  20           HA       LYS  20  -4.167 -14.833 -21.900
  168    HB2  LYS  20           1HB      LYS  20  -1.895 -16.194 -20.451
  169    HB3  LYS  20           2HB      LYS  20  -2.187 -16.158 -22.185
  170    HG2  LYS  20           1HG      LYS  20  -1.530 -13.742 -20.512
  171    HG3  LYS  20           2HG      LYS  20  -0.360 -14.664 -21.458
  172    HD2  LYS  20           1HD      LYS  20  -2.825 -13.495 -22.713
  173    HD3  LYS  20           2HD      LYS  20  -1.353 -12.542 -22.507
  174    HE2  LYS  20           1HE      LYS  20  -1.490 -15.192 -23.940
  175    HE3  LYS  20           2HE      LYS  20  -1.556 -13.622 -24.740
  176    HZ1  LYS  20           3HZ      LYS  20   0.665 -14.236 -24.872
  177    HZ2  LYS  20           1HZ      LYS  20   0.704 -14.861 -23.300
  178    HZ3  LYS  20           2HZ      LYS  20   0.642 -13.189 -23.544
  179    H    LYS  21           H        LYS  21  -4.503 -16.116 -18.746
  180    HA   LYS  21           HA       LYS  21  -4.939 -18.828 -19.279
  181    HB2  LYS  21           1HB      LYS  21  -4.793 -17.479 -17.022
  182    HB3  LYS  21           2HB      LYS  21  -6.542 -17.413 -17.187
  183    HG2  LYS  21           1HG      LYS  21  -6.510 -19.917 -17.403
  184    HG3  LYS  21           2HG      LYS  21  -4.807 -19.855 -16.944
  185    HD2  LYS  21           1HD      LYS  21  -7.036 -18.683 -15.287
  186    HD3  LYS  21           2HD      LYS  21  -6.390 -20.309 -15.055
  187    HE2  LYS  21           1HE      LYS  21  -4.117 -19.216 -14.806
  188    HE3  LYS  21           2HE      LYS  21  -4.972 -17.677 -14.714
  189    HZ1  LYS  21           3HZ      LYS  21  -4.447 -18.718 -12.529
  190    HZ2  LYS  21           1HZ      LYS  21  -5.527 -19.963 -12.908
  191    HZ3  LYS  21           2HZ      LYS  21  -6.087 -18.375 -12.758
  192    H    LYS  22           H        LYS  22  -7.128 -16.060 -19.398
  193    HA   LYS  22           HA       LYS  22  -9.510 -17.504 -19.820
  194    HB2  LYS  22           1HB      LYS  22  -9.428 -15.121 -19.153
  195    HB3  LYS  22           2HB      LYS  22  -8.818 -14.710 -20.750
  196    HG2  LYS  22           1HG      LYS  22 -11.141 -14.220 -20.711
  197    HG3  LYS  22           2HG      LYS  22 -10.916 -15.655 -21.714
  198    HD2  LYS  22           1HD      LYS  22 -11.314 -16.808 -19.308
  199    HD3  LYS  22           2HD      LYS  22 -12.284 -15.345 -19.117
  200    HE2  LYS  22           1HE      LYS  22 -12.567 -16.902 -21.634
  201    HE3  LYS  22           2HE      LYS  22 -13.284 -17.562 -20.165
  202    HZ1  LYS  22           3HZ      LYS  22 -14.784 -16.124 -21.518
  203    HZ2  LYS  22           1HZ      LYS  22 -13.797 -14.806 -21.131
  204    HZ3  LYS  22           2HZ      LYS  22 -14.616 -15.636 -19.907
  205    H    GLN  23           H        GLN  23  -6.851 -16.832 -21.873
  206    HA   GLN  23           HA       GLN  23  -8.282 -17.086 -24.353
  207    HB2  GLN  23           1HB      GLN  23  -5.308 -17.305 -23.870
  208    HB3  GLN  23           2HB      GLN  23  -6.106 -17.005 -25.408
  209    HG2  GLN  23           1HG      GLN  23  -6.363 -15.137 -23.075
  210    HG3  GLN  23           2HG      GLN  23  -5.052 -15.018 -24.248
  211   HE21  GLN  23          2HE2      GLN  23  -5.510 -13.240 -25.364
  212   HE22  GLN  23          1HE2      GLN  23  -7.001 -12.927 -26.179
  213    H    GLU  24           H        GLU  24  -6.930 -19.236 -22.055
  214    HA   GLU  24           HA       GLU  24  -6.542 -21.431 -23.881
  215    HB2  GLU  24           1HB      GLU  24  -6.566 -21.311 -20.861
  216    HB3  GLU  24           2HB      GLU  24  -6.183 -22.753 -21.792
  217    HG2  GLU  24           1HG      GLU  24  -4.662 -20.168 -22.001
  218    HG3  GLU  24           2HG      GLU  24  -4.208 -21.501 -20.941
  219    H    GLN  25           H        GLN  25  -9.241 -19.973 -22.762
  220    HA   GLN  25           HA       GLN  25 -10.815 -22.289 -22.099
  221    HB2  GLN  25           1HB      GLN  25 -11.254 -19.368 -22.273
  222    HB3  GLN  25           2HB      GLN  25 -12.664 -20.376 -22.570
  223    HG2  GLN  25           1HG      GLN  25 -12.327 -19.605 -20.200
  224    HG3  GLN  25           2HG      GLN  25 -12.560 -21.338 -20.428
  225   HE21  GLN  25          2HE2      GLN  25 -10.614 -18.945 -19.097
  226   HE22  GLN  25          1HE2      GLN  25  -9.270 -19.931 -18.645
  227    HA   PRO  26           HA       PRO  26 -12.275 -23.477 -26.060
  228    HB2  PRO  26           1HB      PRO  26 -14.888 -24.037 -25.582
  229    HB3  PRO  26           2HB      PRO  26 -13.566 -25.059 -25.008
  230    HG2  PRO  26           1HG      PRO  26 -15.135 -22.984 -23.527
  231    HG3  PRO  26           2HG      PRO  26 -14.624 -24.595 -22.990
  232    HD2  PRO  26           1HD      PRO  26 -13.320 -22.336 -22.265
  233    HD3  PRO  26           2HD      PRO  26 -12.488 -23.889 -22.489
  Start of MODEL    4
    1    H1   VAL   1           H        VAL   1   2.505  -0.776  -0.033
    2    HA   VAL   1           HA       VAL   1   2.078   0.490  -2.529
    3    HB   VAL   1           HB       VAL   1   4.518  -1.057  -1.648
    4   HG11  VAL   1          1HG1      VAL   1   3.894   0.706  -3.943
    5   HG12  VAL   1          2HG1      VAL   1   5.480   0.895  -3.191
    6   HG13  VAL   1          3HG1      VAL   1   4.989  -0.672  -3.835
    7   HG21  VAL   1          3HG2      VAL   1   5.267   1.418  -1.179
    8   HG22  VAL   1          1HG2      VAL   1   3.532   1.678  -0.996
    9   HG23  VAL   1          2HG2      VAL   1   4.361   0.505   0.028
   10    H    SER   2           H        SER   2   2.511  -2.870  -1.572
   11    HA   SER   2           HA       SER   2   2.631  -3.825  -4.288
   12    HB2  SER   2           1HB      SER   2   2.458  -5.205  -1.609
   13    HB3  SER   2           2HB      SER   2   2.415  -6.094  -3.131
   14    HG   SER   2           HG       SER   2   4.518  -4.728  -1.918
   15    H    VAL   3           H        VAL   3   0.174  -3.050  -2.039
   16    HA   VAL   3           HA       VAL   3  -1.836  -4.780  -3.182
   17    HB   VAL   3           HB       VAL   3  -2.246  -2.447  -1.310
   18   HG11  VAL   3          1HG1      VAL   3  -4.340  -3.004  -2.133
   19   HG12  VAL   3          2HG1      VAL   3  -3.953  -4.723  -2.240
   20   HG13  VAL   3          3HG1      VAL   3  -4.234  -3.977  -0.666
   21   HG21  VAL   3          3HG2      VAL   3  -1.110  -5.102  -0.852
   22   HG22  VAL   3          1HG2      VAL   3  -1.049  -3.652   0.150
   23   HG23  VAL   3          2HG2      VAL   3  -2.459  -4.710   0.214
   24    H    ASP   4           H        ASP   4  -0.556  -1.669  -3.818
   25    HA   ASP   4           HA       ASP   4  -2.798  -0.404  -4.956
   26    HB2  ASP   4           1HB      ASP   4  -0.048   0.177  -4.608
   27    HB3  ASP   4           2HB      ASP   4  -0.399   0.375  -6.322
   28    HA   PRO   5           HA       PRO   5  -1.182  -2.155  -9.176
   29    HB2  PRO   5           1HB      PRO   5   0.575  -4.220  -9.040
   30    HB3  PRO   5           2HB      PRO   5   1.083  -2.528  -9.092
   31    HG2  PRO   5           1HG      PRO   5   0.828  -4.357  -6.736
   32    HG3  PRO   5           2HG      PRO   5   2.116  -3.201  -7.120
   33    HD2  PRO   5           1HD      PRO   5   0.155  -2.657  -5.334
   34    HD3  PRO   5           2HD      PRO   5   0.906  -1.401  -6.340
   35    H    PHE   6           H        PHE   6  -2.217  -3.836  -6.444
   36    HA   PHE   6           HA       PHE   6  -3.236  -6.085  -8.040
   37    HB2  PHE   6           1HB      PHE   6  -2.350  -5.796  -5.249
   38    HB3  PHE   6           2HB      PHE   6  -3.835  -6.720  -5.448
   39    HD1  PHE   6           HD2      PHE   6  -3.838  -8.800  -6.745
   40    HD2  PHE   6           HD1      PHE   6  -0.247  -6.647  -5.983
   41    HE1  PHE   6           HE2      PHE   6  -2.522 -10.782  -7.368
   42    HE2  PHE   6           HE1      PHE   6   1.076  -8.626  -6.605
   43    HZ   PHE   6           HZ       PHE   6  -0.061 -10.698  -7.298
   44    H    TYR   7           H        TYR   7  -4.162  -3.138  -6.806
   45    HA   TYR   7           HA       TYR   7  -6.732  -3.599  -5.801
   46    HB2  TYR   7           1HB      TYR   7  -5.239  -1.285  -6.859
   47    HB3  TYR   7           2HB      TYR   7  -6.991  -1.154  -6.967
   48    HD1  TYR   7           HD2      TYR   7  -7.832  -2.557  -4.510
   49    HD2  TYR   7           HD1      TYR   7  -4.644   0.187  -5.153
   50    HE1  TYR   7           HE2      TYR   7  -7.931  -1.896  -2.143
   51    HE2  TYR   7           HE1      TYR   7  -4.734   0.855  -2.787
   52    HH   TYR   7           HH       TYR   7  -5.827  -0.690  -0.481
   53    H    GLU   8           H        GLU   8  -5.696  -2.790  -9.110
   54    HA   GLU   8           HA       GLU   8  -8.288  -2.917 -10.236
   55    HB2  GLU   8           1HB      GLU   8  -5.790  -3.475 -11.804
   56    HB3  GLU   8           2HB      GLU   8  -7.253  -2.646 -12.318
   57    HG2  GLU   8           1HG      GLU   8  -6.642  -0.826 -10.676
   58    HG3  GLU   8           2HG      GLU   8  -5.074  -1.617 -10.530
   59    H    MET   9           H        MET   9  -6.043  -5.329  -9.297
   60    HA   MET   9           HA       MET   9  -7.049  -7.378 -11.057
   61    HB2  MET   9           1HB      MET   9  -5.419  -7.863  -8.576
   62    HB3  MET   9           2HB      MET   9  -5.482  -8.821 -10.049
   63    HG2  MET   9           1HG      MET   9  -4.307  -6.059  -9.827
   64    HG3  MET   9           2HG      MET   9  -3.389  -7.564  -9.813
   65    HE1  MET   9           3HE      MET   9  -2.247  -6.970 -13.322
   66    HE2  MET   9           1HE      MET   9  -2.004  -6.205 -11.752
   67    HE3  MET   9           2HE      MET   9  -2.019  -7.964 -11.882
   68    H    LEU  10           H        LEU  10  -7.218  -6.741  -7.557
   69    HA   LEU  10           HA       LEU  10  -9.094  -8.852  -7.095
   70    HB2  LEU  10           1HB      LEU  10  -8.485  -6.519  -5.294
   71    HB3  LEU  10           2HB      LEU  10  -9.162  -8.080  -4.835
   72    HG   LEU  10           HG       LEU  10  -6.457  -8.061  -6.063
   73   HD11  LEU  10          1HD1      LEU  10  -6.682  -7.535  -3.137
   74   HD12  LEU  10          2HD1      LEU  10  -6.717  -6.182  -4.267
   75   HD13  LEU  10          3HD1      LEU  10  -5.325  -7.264  -4.231
   76   HD21  LEU  10          3HD2      LEU  10  -7.707 -10.121  -5.373
   77   HD22  LEU  10          1HD2      LEU  10  -7.572  -9.567  -3.704
   78   HD23  LEU  10          2HD2      LEU  10  -6.117  -9.935  -4.631
   79    H    ALA  11           H        ALA  11  -9.295  -5.350  -7.483
   80    HA   ALA  11           HA       ALA  11 -12.131  -5.277  -6.980
   81    HB1  ALA  11           1HB      ALA  11 -10.616  -3.387  -6.440
   82    HB2  ALA  11           2HB      ALA  11 -10.386  -3.127  -8.170
   83    HB3  ALA  11           3HB      ALA  11 -11.985  -2.927  -7.453
   84    H    ALA  12           H        ALA  12 -10.345  -4.113  -9.832
   85    HA   ALA  12           HA       ALA  12 -12.569  -4.388 -11.559
   86    HB1  ALA  12           1HB      ALA  12 -10.036  -3.217 -11.691
   87    HB2  ALA  12           2HB      ALA  12 -10.069  -4.414 -12.987
   88    HB3  ALA  12           3HB      ALA  12 -11.307  -3.160 -12.913
   89    H    ARG  13           H        ARG  13 -13.220  -6.013 -12.857
   90    HA   ARG  13           HA       ARG  13 -12.060  -8.622 -12.442
   91    HB2  ARG  13           1HB      ARG  13 -14.255  -8.011 -14.402
   92    HB3  ARG  13           2HB      ARG  13 -13.969  -9.491 -13.495
   93    HG2  ARG  13           1HG      ARG  13 -14.951  -6.870 -12.387
   94    HG3  ARG  13           2HG      ARG  13 -15.896  -8.343 -12.617
   95    HD2  ARG  13           1HD      ARG  13 -13.618  -9.036 -11.097
   96    HD3  ARG  13           2HD      ARG  13 -14.286  -7.565 -10.390
   97    HE   ARG  13           HE       ARG  13 -16.127  -8.758  -9.708
   98   HH11  ARG  13          1HH1      ARG  13 -14.273 -10.657 -11.962
   99   HH12  ARG  13          2HH1      ARG  13 -15.172 -12.110 -11.677
  100   HH21  ARG  13          1HH2      ARG  13 -17.317 -10.665  -9.324
  101   HH22  ARG  13          2HH2      ARG  13 -16.903 -12.114 -10.177
  102    H    LYS  14           H        LYS  14 -11.130  -6.167 -14.322
  103    HA   LYS  14           HA       LYS  14 -10.854  -7.245 -16.899
  104    HB2  LYS  14           1HB      LYS  14  -9.085  -5.244 -15.480
  105    HB3  LYS  14           2HB      LYS  14  -9.093  -5.546 -17.213
  106    HG2  LYS  14           1HG      LYS  14 -11.681  -4.834 -15.975
  107    HG3  LYS  14           2HG      LYS  14 -10.461  -3.563 -16.075
  108    HD2  LYS  14           1HD      LYS  14 -11.452  -3.271 -18.107
  109    HD3  LYS  14           2HD      LYS  14 -10.254  -4.487 -18.557
  110    HE2  LYS  14           1HE      LYS  14 -11.815  -6.147 -18.756
  111    HE3  LYS  14           2HE      LYS  14 -12.898  -5.421 -17.570
  112    HZ1  LYS  14           3HZ      LYS  14 -13.355  -5.368 -20.180
  113    HZ2  LYS  14           1HZ      LYS  14 -12.494  -3.920 -20.027
  114    HZ3  LYS  14           2HZ      LYS  14 -13.904  -4.164 -19.126
  115    H    LYS  15           H        LYS  15  -9.287  -8.026 -13.978
  116    HA   LYS  15           HA       LYS  15  -6.761  -8.842 -14.863
  117    HB2  LYS  15           1HB      LYS  15  -7.683  -8.648 -12.462
  118    HB3  LYS  15           2HB      LYS  15  -8.289 -10.281 -12.707
  119    HG2  LYS  15           1HG      LYS  15  -5.578 -10.260 -13.506
  120    HG3  LYS  15           2HG      LYS  15  -5.683  -9.436 -11.948
  121    HD2  LYS  15           1HD      LYS  15  -6.916 -12.128 -12.521
  122    HD3  LYS  15           2HD      LYS  15  -5.322 -11.907 -11.796
  123    HE2  LYS  15           1HE      LYS  15  -6.369 -11.884  -9.827
  124    HE3  LYS  15           2HE      LYS  15  -6.957 -10.284 -10.275
  125    HZ1  LYS  15           3HZ      LYS  15  -8.463 -12.587 -11.251
  126    HZ2  LYS  15           1HZ      LYS  15  -9.014 -11.068 -10.746
  127    HZ3  LYS  15           2HZ      LYS  15  -8.579 -12.234  -9.600
  128    H    ARG  16           H        ARG  16  -9.706 -10.802 -14.400
  129    HA   ARG  16           HA       ARG  16  -8.628 -13.174 -15.469
  130    HB2  ARG  16           1HB      ARG  16 -10.833 -14.041 -15.414
  131    HB3  ARG  16           2HB      ARG  16 -10.714 -12.937 -14.050
  132    HG2  ARG  16           1HG      ARG  16 -11.652 -11.272 -15.964
  133    HG3  ARG  16           2HG      ARG  16 -12.388 -12.799 -16.454
  134    HD2  ARG  16           1HD      ARG  16 -12.771 -12.784 -13.735
  135    HD3  ARG  16           2HD      ARG  16 -12.964 -11.084 -14.163
  136    HE   ARG  16           HE       ARG  16 -14.965 -11.616 -15.112
  137   HH11  ARG  16          1HH1      ARG  16 -13.032 -14.505 -14.915
  138   HH12  ARG  16          2HH1      ARG  16 -14.293 -15.544 -15.491
  139   HH21  ARG  16          1HH2      ARG  16 -16.632 -12.974 -15.872
  140   HH22  ARG  16          2HH2      ARG  16 -16.340 -14.672 -16.037
  141    H    ILE  17           H        ILE  17  -9.760 -10.307 -16.961
  142    HA   ILE  17           HA       ILE  17 -10.386 -11.513 -19.504
  143    HB   ILE  17           HB       ILE  17  -9.912  -8.586 -18.954
  144   HG12  ILE  17          1HG1      ILE  17 -11.582  -9.385 -17.379
  145   HG13  ILE  17          2HG1      ILE  17 -12.366  -8.428 -18.631
  146   HG21  ILE  17          1HG2      ILE  17  -9.976  -8.946 -21.270
  147   HG22  ILE  17          2HG2      ILE  17 -11.278 -10.127 -21.137
  148   HG23  ILE  17          3HG2      ILE  17 -11.606  -8.418 -20.853
  149   HD11  ILE  17          3HD1      ILE  17 -12.370 -11.122 -19.486
  150   HD12  ILE  17          1HD1      ILE  17 -12.921 -11.082 -17.811
  151   HD13  ILE  17          2HD1      ILE  17 -13.739 -10.107 -19.032
  152    H    SER  18           H        SER  18  -7.695  -9.718 -18.089
  153    HA   SER  18           HA       SER  18  -6.197  -9.694 -20.552
  154    HB2  SER  18           1HB      SER  18  -5.463  -8.925 -17.720
  155    HB3  SER  18           2HB      SER  18  -4.370  -8.763 -19.095
  156    HG   SER  18           HG       SER  18  -5.389  -7.019 -19.654
  157    H    VAL  19           H        VAL  19  -6.946 -12.115 -18.532
  158    HA   VAL  19           HA       VAL  19  -4.538 -13.386 -17.900
  159    HB   VAL  19           HB       VAL  19  -6.866 -14.021 -17.112
  160   HG11  VAL  19          1HG1      VAL  19  -7.034 -15.918 -19.386
  161   HG12  VAL  19          2HG1      VAL  19  -8.318 -15.196 -18.414
  162   HG13  VAL  19          3HG1      VAL  19  -7.526 -14.250 -19.675
  163   HG21  VAL  19          3HG2      VAL  19  -6.179 -16.602 -17.411
  164   HG22  VAL  19          1HG2      VAL  19  -4.653 -15.831 -17.845
  165   HG23  VAL  19          2HG2      VAL  19  -5.386 -15.512 -16.273
  166    H    LYS  20           H        LYS  20  -3.221 -14.802 -18.964
  167    HA   LYS  20           HA       LYS  20  -3.097 -14.626 -21.793
  168    HB2  LYS  20           1HB      LYS  20  -1.660 -16.621 -20.041
  169    HB3  LYS  20           2HB      LYS  20  -1.179 -16.065 -21.638
  170    HG2  LYS  20           1HG      LYS  20  -1.338 -14.296 -19.208
  171    HG3  LYS  20           2HG      LYS  20   0.136 -15.083 -19.777
  172    HD2  LYS  20           1HD      LYS  20  -1.514 -13.278 -21.530
  173    HD3  LYS  20           2HD      LYS  20  -0.224 -12.669 -20.491
  174    HE2  LYS  20           1HE      LYS  20   0.308 -14.930 -22.374
  175    HE3  LYS  20           2HE      LYS  20   0.282 -13.272 -22.973
  176    HZ1  LYS  20           3HZ      LYS  20   2.490 -14.310 -22.150
  177    HZ2  LYS  20           1HZ      LYS  20   1.901 -13.934 -20.609
  178    HZ3  LYS  20           2HZ      LYS  20   2.126 -12.707 -21.751
  179    H    LYS  21           H        LYS  21  -4.765 -16.708 -19.657
  180    HA   LYS  21           HA       LYS  21  -4.891 -19.075 -21.144
  181    HB2  LYS  21           1HB      LYS  21  -7.067 -17.914 -19.397
  182    HB3  LYS  21           2HB      LYS  21  -6.874 -19.603 -19.848
  183    HG2  LYS  21           1HG      LYS  21  -4.850 -19.770 -18.564
  184    HG3  LYS  21           2HG      LYS  21  -4.885 -18.040 -18.216
  185    HD2  LYS  21           1HD      LYS  21  -5.709 -19.177 -16.287
  186    HD3  LYS  21           2HD      LYS  21  -7.087 -18.406 -17.076
  187    HE2  LYS  21           1HE      LYS  21  -7.798 -20.480 -18.020
  188    HE3  LYS  21           2HE      LYS  21  -6.314 -21.285 -17.511
  189    HZ1  LYS  21           3HZ      LYS  21  -7.165 -20.490 -15.166
  190    HZ2  LYS  21           1HZ      LYS  21  -7.697 -21.941 -15.855
  191    HZ3  LYS  21           2HZ      LYS  21  -8.668 -20.559 -15.939
  192    H    LYS  22           H        LYS  22  -6.827 -16.128 -21.308
  193    HA   LYS  22           HA       LYS  22  -8.661 -17.157 -23.247
  194    HB2  LYS  22           1HB      LYS  22  -9.342 -15.351 -21.778
  195    HB3  LYS  22           2HB      LYS  22  -8.043 -14.328 -22.378
  196    HG2  LYS  22           1HG      LYS  22  -9.087 -14.321 -24.596
  197    HG3  LYS  22           2HG      LYS  22 -10.404 -15.315 -23.967
  198    HD2  LYS  22           1HD      LYS  22 -11.453 -13.505 -23.215
  199    HD3  LYS  22           2HD      LYS  22 -10.037 -13.044 -22.266
  200    HE2  LYS  22           1HE      LYS  22 -10.104 -11.228 -23.615
  201    HE3  LYS  22           2HE      LYS  22  -9.198 -12.289 -24.693
  202    HZ1  LYS  22           3HZ      LYS  22 -12.022 -12.624 -24.969
  203    HZ2  LYS  22           1HZ      LYS  22 -10.856 -12.299 -26.151
  204    HZ3  LYS  22           2HZ      LYS  22 -11.547 -11.029 -25.273
  205    H    GLN  23           H        GLN  23  -5.503 -15.835 -23.375
  206    HA   GLN  23           HA       GLN  23  -5.634 -14.859 -26.066
  207    HB2  GLN  23           1HB      GLN  23  -3.161 -15.604 -24.503
  208    HB3  GLN  23           2HB      GLN  23  -3.264 -14.516 -25.881
  209    HG2  GLN  23           1HG      GLN  23  -4.621 -14.002 -23.248
  210    HG3  GLN  23           2HG      GLN  23  -3.014 -13.405 -23.659
  211   HE21  GLN  23          2HE2      GLN  23  -4.416 -11.419 -23.081
  212   HE22  GLN  23          1HE2      GLN  23  -5.126 -10.605 -24.428
  213    H    GLU  24           H        GLU  24  -5.221 -17.931 -24.608
  214    HA   GLU  24           HA       GLU  24  -3.660 -19.247 -26.527
  215    HB2  GLU  24           1HB      GLU  24  -5.780 -20.211 -24.619
  216    HB3  GLU  24           2HB      GLU  24  -4.944 -21.313 -25.705
  217    HG2  GLU  24           1HG      GLU  24  -3.675 -19.588 -23.591
  218    HG3  GLU  24           2HG      GLU  24  -3.921 -21.332 -23.516
  219    H    GLN  25           H        GLN  25  -4.479 -20.974 -28.017
  220    HA   GLN  25           HA       GLN  25  -6.323 -19.814 -29.868
  221    HB2  GLN  25           1HB      GLN  25  -4.622 -22.255 -29.783
  222    HB3  GLN  25           2HB      GLN  25  -5.978 -22.245 -30.902
  223    HG2  GLN  25           1HG      GLN  25  -5.071 -20.611 -32.211
  224    HG3  GLN  25           2HG      GLN  25  -4.149 -19.906 -30.884
  225   HE21  GLN  25          2HE2      GLN  25  -2.204 -19.879 -31.924
  226   HE22  GLN  25          1HE2      GLN  25  -1.332 -21.308 -32.352
  227    HA   PRO  26           HA       PRO  26 -10.119 -21.705 -28.751
  228    HB2  PRO  26           1HB      PRO  26 -11.192 -22.341 -31.162
  229    HB3  PRO  26           2HB      PRO  26 -11.061 -20.678 -30.577
  230    HG2  PRO  26           1HG      PRO  26  -9.294 -22.160 -32.486
  231    HG3  PRO  26           2HG      PRO  26  -9.898 -20.496 -32.583
  232    HD2  PRO  26           1HD      PRO  26  -7.392 -21.088 -31.748
  233    HD3  PRO  26           2HD      PRO  26  -8.302 -19.697 -31.125
  Start of MODEL    5
    1    H1   VAL   1           H        VAL   1   2.451  -1.299   0.624
    2    HA   VAL   1           HA       VAL   1   1.745   0.208  -1.664
    3    HB   VAL   1           HB       VAL   1   4.404  -1.101  -1.080
    4   HG11  VAL   1          1HG1      VAL   1   3.536   1.087  -2.943
    5   HG12  VAL   1          2HG1      VAL   1   5.210   0.924  -2.409
    6   HG13  VAL   1          3HG1      VAL   1   4.440  -0.382  -3.311
    7   HG21  VAL   1          3HG2      VAL   1   4.387   0.217   0.736
    8   HG22  VAL   1          1HG2      VAL   1   4.671   1.529  -0.407
    9   HG23  VAL   1          2HG2      VAL   1   3.033   1.179   0.144
   10    H    SER   2           H        SER   2   2.319  -3.175  -1.131
   11    HA   SER   2           HA       SER   2   2.684  -3.814  -3.916
   12    HB2  SER   2           1HB      SER   2   2.145  -5.622  -1.547
   13    HB3  SER   2           2HB      SER   2   2.631  -6.157  -3.156
   14    HG   SER   2           HG       SER   2   4.146  -4.427  -1.491
   15    H    VAL   3           H        VAL   3   0.032  -3.335  -1.808
   16    HA   VAL   3           HA       VAL   3  -1.839  -4.945  -3.307
   17    HB   VAL   3           HB       VAL   3  -3.556  -3.845  -1.854
   18   HG11  VAL   3          1HG1      VAL   3  -2.375  -5.970  -1.274
   19   HG12  VAL   3          2HG1      VAL   3  -1.260  -5.017  -0.293
   20   HG13  VAL   3          3HG1      VAL   3  -2.975  -5.065   0.116
   21   HG21  VAL   3          3HG2      VAL   3  -2.269  -1.734  -1.535
   22   HG22  VAL   3          1HG2      VAL   3  -2.881  -2.434  -0.037
   23   HG23  VAL   3          2HG2      VAL   3  -1.179  -2.615  -0.464
   24    H    ASP   4           H        ASP   4  -0.585  -1.759  -3.469
   25    HA   ASP   4           HA       ASP   4  -2.744  -0.401  -4.649
   26    HB2  ASP   4           1HB      ASP   4  -1.101   1.067  -3.994
   27    HB3  ASP   4           2HB      ASP   4   0.205   0.009  -4.522
   28    HA   PRO   5           HA       PRO   5  -0.769  -1.654  -8.892
   29    HB2  PRO   5           1HB      PRO   5   1.017  -3.698  -8.845
   30    HB3  PRO   5           2HB      PRO   5   1.491  -2.004  -8.670
   31    HG2  PRO   5           1HG      PRO   5   1.093  -4.087  -6.557
   32    HG3  PRO   5           2HG      PRO   5   2.382  -2.879  -6.708
   33    HD2  PRO   5           1HD      PRO   5   0.276  -2.563  -5.035
   34    HD3  PRO   5           2HD      PRO   5   1.076  -1.193  -5.833
   35    H    PHE   6           H        PHE   6  -1.974  -3.643  -6.453
   36    HA   PHE   6           HA       PHE   6  -2.853  -5.683  -8.383
   37    HB2  PHE   6           1HB      PHE   6  -2.114  -5.772  -5.528
   38    HB3  PHE   6           2HB      PHE   6  -3.538  -6.713  -5.959
   39    HD1  PHE   6           HD2      PHE   6  -3.359  -8.547  -7.596
   40    HD2  PHE   6           HD1      PHE   6   0.064  -6.443  -6.190
   41    HE1  PHE   6           HE2      PHE   6  -1.911 -10.359  -8.417
   42    HE2  PHE   6           HE1      PHE   6   1.517  -8.252  -7.010
   43    HZ   PHE   6           HZ       PHE   6   0.530 -10.214  -8.124
   44    H    TYR   7           H        TYR   7  -3.886  -2.945  -6.820
   45    HA   TYR   7           HA       TYR   7  -6.473  -3.562  -5.964
   46    HB2  TYR   7           1HB      TYR   7  -4.974  -1.134  -6.645
   47    HB3  TYR   7           2HB      TYR   7  -6.708  -0.994  -6.915
   48    HD1  TYR   7           HD2      TYR   7  -7.753  -2.679  -4.713
   49    HD2  TYR   7           HD1      TYR   7  -4.594   0.171  -4.746
   50    HE1  TYR   7           HE2      TYR   7  -8.098  -2.278  -2.311
   51    HE2  TYR   7           HE1      TYR   7  -4.929   0.579  -2.344
   52    HH   TYR   7           HH       TYR   7  -7.149   0.252  -0.714
   53    H    GLU   8           H        GLU   8  -5.451  -2.188  -9.095
   54    HA   GLU   8           HA       GLU   8  -7.963  -2.269 -10.319
   55    HB2  GLU   8           1HB      GLU   8  -6.824  -1.923 -12.389
   56    HB3  GLU   8           2HB      GLU   8  -5.939  -1.040 -11.152
   57    HG2  GLU   8           1HG      GLU   8  -4.578  -3.325 -11.068
   58    HG3  GLU   8           2HG      GLU   8  -5.143  -3.406 -12.735
   59    H    MET   9           H        MET   9  -5.753  -4.787  -9.587
   60    HA   MET   9           HA       MET   9  -6.736  -6.629 -11.576
   61    HB2  MET   9           1HB      MET   9  -5.162  -7.409  -9.139
   62    HB3  MET   9           2HB      MET   9  -5.183  -8.170 -10.724
   63    HG2  MET   9           1HG      MET   9  -4.007  -5.471 -10.100
   64    HG3  MET   9           2HG      MET   9  -3.098  -6.968 -10.291
   65    HE1  MET   9           3HE      MET   9  -1.554  -6.617 -12.332
   66    HE2  MET   9           1HE      MET   9  -1.956  -5.444 -13.587
   67    HE3  MET   9           2HE      MET   9  -1.888  -4.940 -11.898
   68    H    LEU  10           H        LEU  10  -6.758  -6.699  -8.006
   69    HA   LEU  10           HA       LEU  10  -8.682  -8.733  -7.796
   70    HB2  LEU  10           1HB      LEU  10  -8.183  -6.562  -5.773
   71    HB3  LEU  10           2HB      LEU  10  -8.814  -8.181  -5.477
   72    HG   LEU  10           HG       LEU  10  -6.092  -7.967  -6.642
   73   HD11  LEU  10          1HD1      LEU  10  -5.016  -7.282  -4.737
   74   HD12  LEU  10          2HD1      LEU  10  -6.368  -7.706  -3.687
   75   HD13  LEU  10          3HD1      LEU  10  -6.451  -6.259  -4.691
   76   HD21  LEU  10          3HD2      LEU  10  -7.644 -10.015  -5.757
   77   HD22  LEU  10          1HD2      LEU  10  -6.660  -9.681  -4.332
   78   HD23  LEU  10          2HD2      LEU  10  -5.884 -10.063  -5.869
   79    H    ALA  11           H        ALA  11  -8.996  -5.203  -7.700
   80    HA   ALA  11           HA       ALA  11 -11.746  -5.097  -7.147
   81    HB1  ALA  11           1HB      ALA  11  -9.959  -3.220  -7.154
   82    HB2  ALA  11           2HB      ALA  11 -10.406  -3.036  -8.851
   83    HB3  ALA  11           3HB      ALA  11 -11.622  -2.829  -7.590
   84    H    ALA  12           H        ALA  12 -10.246  -4.354 -10.297
   85    HA   ALA  12           HA       ALA  12 -12.612  -4.579 -11.776
   86    HB1  ALA  12           1HB      ALA  12 -10.217  -3.624 -12.365
   87    HB2  ALA  12           2HB      ALA  12 -10.029  -5.219 -13.095
   88    HB3  ALA  12           3HB      ALA  12 -11.337  -4.158 -13.618
   89    H    ARG  13           H        ARG  13 -13.691  -6.250 -12.637
   90    HA   ARG  13           HA       ARG  13 -12.901  -8.926 -11.920
   91    HB2  ARG  13           1HB      ARG  13 -15.214  -8.232 -13.712
   92    HB3  ARG  13           2HB      ARG  13 -15.042  -9.599 -12.618
   93    HG2  ARG  13           1HG      ARG  13 -15.275  -8.142 -10.703
   94    HG3  ARG  13           2HG      ARG  13 -15.342  -6.729 -11.758
   95    HD2  ARG  13           1HD      ARG  13 -17.510  -7.038 -12.198
   96    HD3  ARG  13           2HD      ARG  13 -17.285  -8.762 -12.492
   97    HE   ARG  13           HE       ARG  13 -18.314  -7.574 -10.140
   98   HH11  ARG  13          1HH1      ARG  13 -16.274 -10.176 -11.229
   99   HH12  ARG  13          2HH1      ARG  13 -16.596 -11.178  -9.852
  100   HH21  ARG  13          1HH2      ARG  13 -18.745  -8.883  -8.323
  101   HH22  ARG  13          2HH2      ARG  13 -18.002 -10.442  -8.201
  102    H    LYS  14           H        LYS  14 -12.103  -6.911 -14.421
  103    HA   LYS  14           HA       LYS  14 -12.088  -8.871 -16.544
  104    HB2  LYS  14           1HB      LYS  14 -11.064  -6.046 -16.315
  105    HB3  LYS  14           2HB      LYS  14 -10.766  -7.036 -17.738
  106    HG2  LYS  14           1HG      LYS  14 -12.974  -7.018 -18.383
  107    HG3  LYS  14           2HG      LYS  14 -13.558  -6.691 -16.749
  108    HD2  LYS  14           1HD      LYS  14 -11.894  -4.671 -18.207
  109    HD3  LYS  14           2HD      LYS  14 -13.627  -4.798 -18.516
  110    HE2  LYS  14           1HE      LYS  14 -12.493  -4.504 -15.746
  111    HE3  LYS  14           2HE      LYS  14 -12.891  -3.116 -16.757
  112    HZ1  LYS  14           3HZ      LYS  14 -15.021  -5.019 -16.638
  113    HZ2  LYS  14           1HZ      LYS  14 -15.044  -3.357 -16.325
  114    HZ3  LYS  14           2HZ      LYS  14 -14.605  -4.441 -15.104
  115    H    LYS  15           H        LYS  15 -10.354  -8.751 -13.869
  116    HA   LYS  15           HA       LYS  15  -7.662  -8.757 -14.635
  117    HB2  LYS  15           1HB      LYS  15  -8.831  -8.837 -12.270
  118    HB3  LYS  15           2HB      LYS  15  -8.616 -10.572 -12.460
  119    HG2  LYS  15           1HG      LYS  15  -6.316  -8.698 -12.841
  120    HG3  LYS  15           2HG      LYS  15  -6.809  -9.217 -11.228
  121    HD2  LYS  15           1HD      LYS  15  -5.893 -11.238 -11.499
  122    HD3  LYS  15           2HD      LYS  15  -6.618 -11.436 -13.096
  123    HE2  LYS  15           1HE      LYS  15  -4.819 -10.431 -14.172
  124    HE3  LYS  15           2HE      LYS  15  -4.267  -9.624 -12.706
  125    HZ1  LYS  15           3HZ      LYS  15  -2.764 -11.354 -13.034
  126    HZ2  LYS  15           1HZ      LYS  15  -3.967 -12.465 -13.459
  127    HZ3  LYS  15           2HZ      LYS  15  -3.812 -11.960 -11.852
  128    H    ARG  16           H        ARG  16  -9.750 -11.582 -13.995
  129    HA   ARG  16           HA       ARG  16  -7.876 -13.357 -15.274
  130    HB2  ARG  16           1HB      ARG  16  -9.508 -15.110 -14.752
  131    HB3  ARG  16           2HB      ARG  16  -9.169 -14.114 -13.343
  132    HG2  ARG  16           1HG      ARG  16 -11.305 -12.810 -14.290
  133    HG3  ARG  16           2HG      ARG  16 -11.661 -14.432 -14.889
  134    HD2  ARG  16           1HD      ARG  16 -11.857 -15.315 -12.777
  135    HD3  ARG  16           2HD      ARG  16 -10.798 -14.103 -12.057
  136    HE   ARG  16           HE       ARG  16 -13.619 -13.972 -12.266
  137   HH11  ARG  16          1HH1      ARG  16 -10.755 -12.002 -12.446
  138   HH12  ARG  16          2HH1      ARG  16 -11.564 -10.551 -11.955
  139   HH21  ARG  16          1HH2      ARG  16 -14.696 -12.069 -11.618
  140   HH22  ARG  16          2HH2      ARG  16 -13.806 -10.590 -11.483
  141    H    ILE  17           H        ILE  17 -10.418 -11.377 -16.307
  142    HA   ILE  17           HA       ILE  17 -11.254 -12.999 -18.537
  143    HB   ILE  17           HB       ILE  17 -11.765 -10.056 -18.110
  144   HG12  ILE  17          1HG1      ILE  17 -12.495 -11.402 -16.160
  145   HG13  ILE  17          2HG1      ILE  17 -13.849 -10.688 -17.029
  146   HG21  ILE  17          1HG2      ILE  17 -12.556 -10.313 -20.199
  147   HG22  ILE  17          2HG2      ILE  17 -12.654 -12.068 -20.056
  148   HG23  ILE  17          3HG2      ILE  17 -13.934 -11.056 -19.385
  149   HD11  ILE  17          3HD1      ILE  17 -14.761 -12.679 -17.312
  150   HD12  ILE  17          1HD1      ILE  17 -13.297 -13.284 -18.087
  151   HD13  ILE  17          2HD1      ILE  17 -13.468 -13.373 -16.333
  152    H    SER  18           H        SER  18  -9.132 -10.226 -18.020
  153    HA   SER  18           HA       SER  18  -8.537  -9.945 -20.827
  154    HB2  SER  18           1HB      SER  18  -7.211  -8.685 -18.413
  155    HB3  SER  18           2HB      SER  18  -6.948  -8.215 -20.093
  156    HG   SER  18           HG       SER  18  -8.491  -6.884 -19.015
  157    H    VAL  19           H        VAL  19  -7.717 -12.240 -18.693
  158    HA   VAL  19           HA       VAL  19  -4.939 -12.502 -18.846
  159    HB   VAL  19           HB       VAL  19  -6.536 -13.832 -17.383
  160   HG11  VAL  19          1HG1      VAL  19  -7.766 -14.557 -19.624
  161   HG12  VAL  19          2HG1      VAL  19  -6.631 -15.903 -19.504
  162   HG13  VAL  19          3HG1      VAL  19  -7.756 -15.576 -18.185
  163   HG21  VAL  19          3HG2      VAL  19  -4.676 -14.950 -16.913
  164   HG22  VAL  19          1HG2      VAL  19  -4.928 -15.982 -18.321
  165   HG23  VAL  19          2HG2      VAL  19  -4.004 -14.488 -18.477
  166    H    LYS  20           H        LYS  20  -3.562 -13.490 -20.267
  167    HA   LYS  20           HA       LYS  20  -4.468 -13.709 -22.991
  168    HB2  LYS  20           1HB      LYS  20  -1.761 -14.186 -21.734
  169    HB3  LYS  20           2HB      LYS  20  -2.074 -14.233 -23.464
  170    HG2  LYS  20           1HG      LYS  20  -2.616 -11.819 -21.756
  171    HG3  LYS  20           2HG      LYS  20  -1.088 -12.098 -22.595
  172    HD2  LYS  20           1HD      LYS  20  -2.444 -12.313 -24.719
  173    HD3  LYS  20           2HD      LYS  20  -3.823 -11.710 -23.797
  174    HE2  LYS  20           1HE      LYS  20  -3.021  -9.753 -24.679
  175    HE3  LYS  20           2HE      LYS  20  -2.144  -9.798 -23.150
  176    HZ1  LYS  20           3HZ      LYS  20  -0.954 -10.988 -25.566
  177    HZ2  LYS  20           1HZ      LYS  20  -0.186 -10.372 -24.190
  178    HZ3  LYS  20           2HZ      LYS  20  -0.870  -9.317 -25.321
  179    H    LYS  21           H        LYS  21  -4.212 -15.823 -20.365
  180    HA   LYS  21           HA       LYS  21  -3.481 -18.234 -21.584
  181    HB2  LYS  21           1HB      LYS  21  -3.636 -17.960 -19.154
  182    HB3  LYS  21           2HB      LYS  21  -5.380 -17.772 -19.276
  183    HG2  LYS  21           1HG      LYS  21  -5.389 -20.097 -20.320
  184    HG3  LYS  21           2HG      LYS  21  -3.730 -20.233 -19.732
  185    HD2  LYS  21           1HD      LYS  21  -4.904 -21.147 -17.975
  186    HD3  LYS  21           2HD      LYS  21  -4.788 -19.461 -17.465
  187    HE2  LYS  21           1HE      LYS  21  -7.020 -19.859 -17.115
  188    HE3  LYS  21           2HE      LYS  21  -7.055 -19.241 -18.766
  189    HZ1  LYS  21           3HZ      LYS  21  -6.644 -21.996 -18.899
  190    HZ2  LYS  21           1HZ      LYS  21  -8.006 -21.122 -19.392
  191    HZ3  LYS  21           2HZ      LYS  21  -7.920 -21.737 -17.819
  192    H    LYS  22           H        LYS  22  -6.614 -16.632 -21.310
  193    HA   LYS  22           HA       LYS  22  -8.215 -18.702 -22.311
  194    HB2  LYS  22           1HB      LYS  22  -9.913 -17.071 -22.607
  195    HB3  LYS  22           2HB      LYS  22  -8.986 -16.561 -21.201
  196    HG2  LYS  22           1HG      LYS  22  -7.685 -15.077 -22.827
  197    HG3  LYS  22           2HG      LYS  22  -9.000 -15.393 -23.961
  198    HD2  LYS  22           1HD      LYS  22  -9.630 -14.467 -21.191
  199    HD3  LYS  22           2HD      LYS  22  -9.082 -13.299 -22.396
  200    HE2  LYS  22           1HE      LYS  22 -11.301 -15.204 -23.030
  201    HE3  LYS  22           2HE      LYS  22 -11.624 -13.742 -22.099
  202    HZ1  LYS  22           3HZ      LYS  22 -10.165 -12.816 -24.171
  203    HZ2  LYS  22           1HZ      LYS  22 -11.855 -12.791 -24.089
  204    HZ3  LYS  22           2HZ      LYS  22 -11.067 -14.044 -24.907
  205    H    GLN  23           H        GLN  23  -5.956 -16.657 -23.877
  206    HA   GLN  23           HA       GLN  23  -7.079 -16.809 -26.505
  207    HB2  GLN  23           1HB      GLN  23  -4.194 -16.251 -25.834
  208    HB3  GLN  23           2HB      GLN  23  -5.095 -15.731 -27.252
  209    HG2  GLN  23           1HG      GLN  23  -5.641 -14.808 -24.440
  210    HG3  GLN  23           2HG      GLN  23  -4.683 -13.924 -25.626
  211   HE21  GLN  23          2HE2      GLN  23  -6.512 -12.401 -24.853
  212   HE22  GLN  23          1HE2      GLN  23  -7.908 -12.359 -25.870
  213    H    GLU  24           H        GLU  24  -5.202 -18.905 -24.550
  214    HA   GLU  24           HA       GLU  24  -3.801 -20.338 -26.524
  215    HB2  GLU  24           1HB      GLU  24  -4.810 -21.179 -23.804
  216    HB3  GLU  24           2HB      GLU  24  -3.765 -22.177 -24.806
  217    HG2  GLU  24           1HG      GLU  24  -3.132 -19.519 -23.560
  218    HG3  GLU  24           2HG      GLU  24  -2.390 -21.082 -23.223
  219    H    GLN  25           H        GLN  25  -4.253 -22.314 -27.540
  220    HA   GLN  25           HA       GLN  25  -6.981 -22.628 -28.345
  221    HB2  GLN  25           1HB      GLN  25  -4.380 -23.902 -29.054
  222    HB3  GLN  25           2HB      GLN  25  -5.860 -24.763 -29.456
  223    HG2  GLN  25           1HG      GLN  25  -5.124 -21.982 -30.342
  224    HG3  GLN  25           2HG      GLN  25  -5.092 -23.441 -31.332
  225   HE21  GLN  25          2HE2      GLN  25  -7.035 -20.962 -29.957
  226   HE22  GLN  25          1HE2      GLN  25  -8.526 -21.411 -30.706
  227    HA   PRO  26           HA       PRO  26  -8.408 -25.762 -25.630
  228    HB2  PRO  26           1HB      PRO  26  -9.829 -27.375 -27.289
  229    HB3  PRO  26           2HB      PRO  26 -10.376 -25.762 -26.815
  230    HG2  PRO  26           1HG      PRO  26  -9.013 -26.636 -29.333
  231    HG3  PRO  26           2HG      PRO  26 -10.384 -25.529 -29.129
  232    HD2  PRO  26           1HD      PRO  26  -7.854 -24.655 -29.537
  233    HD3  PRO  26           2HD      PRO  26  -9.028 -23.755 -28.556
  Start of MODEL    6
    1    H1   VAL   1           H        VAL   1   2.485  -1.140   0.195
    2    HA   VAL   1           HA       VAL   1   1.864   0.311  -2.183
    3    HB   VAL   1           HB       VAL   1   4.015   0.569  -0.997
    4   HG11  VAL   1          1HG1      VAL   1   4.706  -2.146  -2.110
    5   HG12  VAL   1          2HG1      VAL   1   5.730  -1.106  -1.119
    6   HG13  VAL   1          3HG1      VAL   1   4.282  -1.837  -0.427
    7   HG21  VAL   1          3HG2      VAL   1   5.344   0.843  -2.928
    8   HG22  VAL   1          1HG2      VAL   1   4.517  -0.464  -3.776
    9   HG23  VAL   1          2HG2      VAL   1   3.678   1.056  -3.466
   10    H    SER   2           H        SER   2   2.340  -3.053  -1.401
   11    HA   SER   2           HA       SER   2   2.617  -3.896  -4.142
   12    HB2  SER   2           1HB      SER   2   2.957  -6.034  -3.308
   13    HB3  SER   2           2HB      SER   2   3.487  -5.050  -1.945
   14    HG   SER   2           HG       SER   2   1.572  -5.451  -0.916
   15    H    VAL   3           H        VAL   3   0.033  -3.206  -2.008
   16    HA   VAL   3           HA       VAL   3  -1.912  -4.871  -3.344
   17    HB   VAL   3           HB       VAL   3  -3.565  -3.649  -1.923
   18   HG11  VAL   3          1HG1      VAL   3  -2.384  -5.743  -1.225
   19   HG12  VAL   3          2HG1      VAL   3  -1.244  -4.731  -0.336
   20   HG13  VAL   3          3HG1      VAL   3  -2.951  -4.739   0.108
   21   HG21  VAL   3          3HG2      VAL   3  -2.257  -1.537  -1.789
   22   HG22  VAL   3          1HG2      VAL   3  -2.814  -2.127  -0.223
   23   HG23  VAL   3          2HG2      VAL   3  -1.132  -2.351  -0.702
   24    H    ASP   4           H        ASP   4  -0.608  -1.720  -3.733
   25    HA   ASP   4           HA       ASP   4  -2.763  -0.395  -4.948
   26    HB2  ASP   4           1HB      ASP   4  -0.023   0.132  -4.442
   27    HB3  ASP   4           2HB      ASP   4  -0.297   0.422  -6.158
   28    HA   PRO   5           HA       PRO   5  -0.949  -1.980  -9.153
   29    HB2  PRO   5           1HB      PRO   5   0.783  -4.066  -9.019
   30    HB3  PRO   5           2HB      PRO   5   1.307  -2.379  -8.971
   31    HG2  PRO   5           1HG      PRO   5   0.917  -4.306  -6.714
   32    HG3  PRO   5           2HG      PRO   5   2.232  -3.147  -6.981
   33    HD2  PRO   5           1HD      PRO   5   0.187  -2.661  -5.274
   34    HD3  PRO   5           2HD      PRO   5   0.998  -1.370  -6.185
   35    H    PHE   6           H        PHE   6  -2.151  -3.753  -6.558
   36    HA   PHE   6           HA       PHE   6  -3.161  -5.875  -8.333
   37    HB2  PHE   6           1HB      PHE   6  -2.274  -5.857  -5.516
   38    HB3  PHE   6           2HB      PHE   6  -3.734  -6.786  -5.838
   39    HD1  PHE   6           HD2      PHE   6  -3.669  -8.693  -7.395
   40    HD2  PHE   6           HD1      PHE   6  -0.143  -6.595  -6.261
   41    HE1  PHE   6           HE2      PHE   6  -2.297 -10.567  -8.207
   42    HE2  PHE   6           HE1      PHE   6   1.235  -8.465  -7.073
   43    HZ   PHE   6           HZ       PHE   6   0.158 -10.454  -8.047
   44    H    TYR   7           H        TYR   7  -4.040  -3.025  -6.938
   45    HA   TYR   7           HA       TYR   7  -6.573  -3.501  -5.854
   46    HB2  TYR   7           1HB      TYR   7  -5.076  -1.180  -6.840
   47    HB3  TYR   7           2HB      TYR   7  -6.820  -1.017  -7.009
   48    HD1  TYR   7           HD1      TYR   7  -7.735  -2.499  -4.600
   49    HD2  TYR   7           HD2      TYR   7  -4.561   0.291  -5.096
   50    HE1  TYR   7           HE1      TYR   7  -7.910  -1.887  -2.225
   51    HE2  TYR   7           HE2      TYR   7  -4.727   0.911  -2.722
   52    HH   TYR   7           HH       TYR   7  -6.164  -0.853  -0.457
   53    H    GLU   8           H        GLU   8  -5.677  -2.568  -9.173
   54    HA   GLU   8           HA       GLU   8  -8.311  -2.682 -10.196
   55    HB2  GLU   8           1HB      GLU   8  -5.874  -3.160 -11.883
   56    HB3  GLU   8           2HB      GLU   8  -7.365  -2.332 -12.310
   57    HG2  GLU   8           1HG      GLU   8  -6.707  -0.561 -10.631
   58    HG3  GLU   8           2HG      GLU   8  -5.126  -1.338 -10.576
   59    H    MET   9           H        MET   9  -6.002  -5.106  -9.450
   60    HA   MET   9           HA       MET   9  -7.068  -7.099 -11.237
   61    HB2  MET   9           1HB      MET   9  -5.333  -7.653  -8.842
   62    HB3  MET   9           2HB      MET   9  -5.453  -8.565 -10.341
   63    HG2  MET   9           1HG      MET   9  -4.292  -5.801 -10.089
   64    HG3  MET   9           2HG      MET   9  -3.359  -7.295 -10.146
   65    HE1  MET   9           3HE      MET   9  -2.418  -5.966 -13.547
   66    HE2  MET   9           1HE      MET   9  -2.093  -5.904 -11.814
   67    HE3  MET   9           2HE      MET   9  -2.034  -7.447 -12.667
   68    H    LEU  10           H        LEU  10  -7.103  -6.587  -7.712
   69    HA   LEU  10           HA       LEU  10  -8.929  -8.736  -7.241
   70    HB2  LEU  10           1HB      LEU  10  -8.298  -6.434  -5.407
   71    HB3  LEU  10           2HB      LEU  10  -8.936  -8.015  -4.961
   72    HG   LEU  10           HG       LEU  10  -6.280  -7.943  -6.282
   73   HD11  LEU  10          1HD1      LEU  10  -6.471  -7.380  -3.348
   74   HD12  LEU  10          2HD1      LEU  10  -6.417  -6.067  -4.524
   75   HD13  LEU  10          3HD1      LEU  10  -5.085  -7.219  -4.427
   76   HD21  LEU  10          3HD2      LEU  10  -5.901  -9.880  -5.059
   77   HD22  LEU  10          1HD2      LEU  10  -7.621  -9.980  -5.439
   78   HD23  LEU  10          2HD2      LEU  10  -7.102  -9.462  -3.835
   79    H    ALA  11           H        ALA  11  -9.211  -5.233  -7.551
   80    HA   ALA  11           HA       ALA  11 -12.000  -5.172  -6.892
   81    HB1  ALA  11           1HB      ALA  11 -10.187  -3.282  -6.770
   82    HB2  ALA  11           2HB      ALA  11 -10.695  -2.980  -8.433
   83    HB3  ALA  11           3HB      ALA  11 -11.871  -2.893  -7.121
   84    H    ALA  12           H        ALA  12 -10.377  -4.241  -9.930
   85    HA   ALA  12           HA       ALA  12 -12.759  -4.594 -11.461
   86    HB1  ALA  12           1HB      ALA  12 -10.162  -3.475 -11.861
   87    HB2  ALA  12           2HB      ALA  12 -10.536  -4.569 -13.193
   88    HB3  ALA  12           3HB      ALA  12 -11.631  -3.241 -12.809
   89    H    ARG  13           H        ARG  13 -13.369  -6.243 -12.792
   90    HA   ARG  13           HA       ARG  13 -12.176  -8.821 -12.289
   91    HB2  ARG  13           1HB      ARG  13 -14.360  -8.318 -14.288
   92    HB3  ARG  13           2HB      ARG  13 -14.069  -9.748 -13.307
   93    HG2  ARG  13           1HG      ARG  13 -15.099  -7.088 -12.345
   94    HG3  ARG  13           2HG      ARG  13 -16.016  -8.588 -12.501
   95    HD2  ARG  13           1HD      ARG  13 -13.853  -9.299 -10.934
   96    HD3  ARG  13           2HD      ARG  13 -14.267  -7.683 -10.363
   97    HE   ARG  13           HE       ARG  13 -16.110  -8.582  -9.374
   98   HH11  ARG  13          1HH1      ARG  13 -15.086 -10.710 -11.932
   99   HH12  ARG  13          2HH1      ARG  13 -16.268 -11.924 -11.572
  100   HH21  ARG  13          1HH2      ARG  13 -17.671 -10.173  -8.891
  101   HH22  ARG  13          2HH2      ARG  13 -17.739 -11.617  -9.843
  102    H    LYS  14           H        LYS  14 -11.282  -6.409 -14.251
  103    HA   LYS  14           HA       LYS  14 -10.971  -7.572 -16.786
  104    HB2  LYS  14           1HB      LYS  14  -9.161  -5.532 -15.482
  105    HB3  LYS  14           2HB      LYS  14  -9.330  -5.832 -17.207
  106    HG2  LYS  14           1HG      LYS  14 -11.561  -4.855 -15.440
  107    HG3  LYS  14           2HG      LYS  14 -10.512  -3.804 -16.395
  108    HD2  LYS  14           1HD      LYS  14 -11.489  -4.390 -18.358
  109    HD3  LYS  14           2HD      LYS  14 -11.802  -6.046 -17.831
  110    HE2  LYS  14           1HE      LYS  14 -13.936  -5.197 -17.908
  111    HE3  LYS  14           2HE      LYS  14 -13.513  -4.891 -16.224
  112    HZ1  LYS  14           3HZ      LYS  14 -12.871  -2.792 -18.141
  113    HZ2  LYS  14           1HZ      LYS  14 -13.434  -2.671 -16.550
  114    HZ3  LYS  14           2HZ      LYS  14 -14.511  -3.031 -17.803
  115    H    LYS  15           H        LYS  15  -9.394  -8.209 -13.831
  116    HA   LYS  15           HA       LYS  15  -6.855  -9.017 -14.686
  117    HB2  LYS  15           1HB      LYS  15  -7.547  -8.713 -12.312
  118    HB3  LYS  15           2HB      LYS  15  -8.482 -10.198 -12.427
  119    HG2  LYS  15           1HG      LYS  15  -5.617 -10.338 -13.163
  120    HG3  LYS  15           2HG      LYS  15  -6.014 -10.132 -11.455
  121    HD2  LYS  15           1HD      LYS  15  -7.529 -12.193 -12.949
  122    HD3  LYS  15           2HD      LYS  15  -5.827 -12.530 -12.624
  123    HE2  LYS  15           1HE      LYS  15  -7.885 -11.766 -10.554
  124    HE3  LYS  15           2HE      LYS  15  -7.318 -13.406 -10.869
  125    HZ1  LYS  15           3HZ      LYS  15  -5.012 -12.109 -10.476
  126    HZ2  LYS  15           1HZ      LYS  15  -5.858 -12.924  -9.258
  127    HZ3  LYS  15           2HZ      LYS  15  -6.029 -11.251  -9.432
  128    H    ARG  16           H        ARG  16  -9.736 -11.035 -14.083
  129    HA   ARG  16           HA       ARG  16  -8.632 -13.423 -15.057
  130    HB2  ARG  16           1HB      ARG  16 -10.826 -14.318 -14.976
  131    HB3  ARG  16           2HB      ARG  16 -10.731 -13.151 -13.664
  132    HG2  ARG  16           1HG      ARG  16 -11.678 -11.595 -15.670
  133    HG3  ARG  16           2HG      ARG  16 -12.399 -13.154 -16.073
  134    HD2  ARG  16           1HD      ARG  16 -12.797 -13.007 -13.370
  135    HD3  ARG  16           2HD      ARG  16 -12.975 -11.324 -13.865
  136    HE   ARG  16           HE       ARG  16 -14.985 -11.881 -14.776
  137   HH11  ARG  16          1HH1      ARG  16 -13.048 -14.764 -14.543
  138   HH12  ARG  16          2HH1      ARG  16 -14.308 -15.813 -15.102
  139   HH21  ARG  16          1HH2      ARG  16 -16.653 -13.251 -15.513
  140   HH22  ARG  16          2HH2      ARG  16 -16.358 -14.951 -15.654
  141    H    ILE  17           H        ILE  17  -9.733 -10.640 -16.696
  142    HA   ILE  17           HA       ILE  17 -10.367 -11.963 -19.179
  143    HB   ILE  17           HB       ILE  17  -9.868  -9.019 -18.749
  144   HG12  ILE  17          1HG1      ILE  17 -11.585  -9.750 -17.188
  145   HG13  ILE  17          2HG1      ILE  17 -12.324  -8.825 -18.489
  146   HG21  ILE  17          1HG2      ILE  17 -11.409  -8.828 -20.707
  147   HG22  ILE  17          2HG2      ILE  17  -9.862  -9.595 -21.065
  148   HG23  ILE  17          3HG2      ILE  17 -11.312 -10.581 -20.880
  149   HD11  ILE  17          3HD1      ILE  17 -12.810 -11.536 -17.646
  150   HD12  ILE  17          1HD1      ILE  17 -13.754 -10.499 -18.715
  151   HD13  ILE  17          2HD1      ILE  17 -12.421 -11.454 -19.364
  152    H    SER  18           H        SER  18  -7.794  -9.739 -18.106
  153    HA   SER  18           HA       SER  18  -6.241 -10.240 -20.484
  154    HB2  SER  18           1HB      SER  18  -4.682  -8.641 -19.607
  155    HB3  SER  18           2HB      SER  18  -6.301  -8.027 -19.269
  156    HG   SER  18           HG       SER  18  -6.059  -8.499 -17.162
  157    H    VAL  19           H        VAL  19  -6.810 -12.067 -17.863
  158    HA   VAL  19           HA       VAL  19  -4.307 -12.881 -16.920
  159    HB   VAL  19           HB       VAL  19  -6.602 -13.485 -15.985
  160   HG11  VAL  19          1HG1      VAL  19  -7.194 -14.496 -18.339
  161   HG12  VAL  19          2HG1      VAL  19  -6.461 -15.948 -17.654
  162   HG13  VAL  19          3HG1      VAL  19  -7.847 -15.199 -16.859
  163   HG21  VAL  19          3HG2      VAL  19  -5.260 -16.042 -15.945
  164   HG22  VAL  19          1HG2      VAL  19  -4.113 -14.713 -15.776
  165   HG23  VAL  19          2HG2      VAL  19  -5.465 -14.859 -14.653
  166    H    LYS  20           H        LYS  20  -2.991 -14.660 -17.432
  167    HA   LYS  20           HA       LYS  20  -2.780 -15.195 -20.245
  168    HB2  LYS  20           1HB      LYS  20  -1.219 -16.387 -17.945
  169    HB3  LYS  20           2HB      LYS  20  -0.782 -16.465 -19.647
  170    HG2  LYS  20           1HG      LYS  20  -1.110 -13.841 -18.238
  171    HG3  LYS  20           2HG      LYS  20   0.404 -14.746 -18.175
  172    HD2  LYS  20           1HD      LYS  20   0.287 -14.798 -20.721
  173    HD3  LYS  20           2HD      LYS  20  -0.977 -13.575 -20.577
  174    HE2  LYS  20           1HE      LYS  20   0.584 -12.136 -19.337
  175    HE3  LYS  20           2HE      LYS  20   1.844 -13.354 -19.530
  176    HZ1  LYS  20           3HZ      LYS  20   1.469 -11.309 -21.206
  177    HZ2  LYS  20           1HZ      LYS  20   0.562 -12.507 -21.984
  178    HZ3  LYS  20           2HZ      LYS  20   2.199 -12.768 -21.652
  179    H    LYS  21           H        LYS  21  -4.409 -16.644 -17.649
  180    HA   LYS  21           HA       LYS  21  -4.295 -19.363 -18.306
  181    HB2  LYS  21           1HB      LYS  21  -5.245 -18.420 -16.201
  182    HB3  LYS  21           2HB      LYS  21  -6.644 -17.875 -17.118
  183    HG2  LYS  21           1HG      LYS  21  -6.816 -20.384 -17.806
  184    HG3  LYS  21           2HG      LYS  21  -5.833 -20.642 -16.362
  185    HD2  LYS  21           1HD      LYS  21  -7.962 -20.805 -15.495
  186    HD3  LYS  21           2HD      LYS  21  -7.613 -19.094 -15.232
  187    HE2  LYS  21           1HE      LYS  21  -8.791 -18.569 -17.340
  188    HE3  LYS  21           2HE      LYS  21  -9.195 -20.277 -17.514
  189    HZ1  LYS  21           3HZ      LYS  21 -10.364 -18.271 -15.792
  190    HZ2  LYS  21           1HZ      LYS  21 -10.077 -19.758 -15.038
  191    HZ3  LYS  21           2HZ      LYS  21 -11.043 -19.685 -16.424
  192    H    LYS  22           H        LYS  22  -6.506 -16.816 -19.398
  193    HA   LYS  22           HA       LYS  22  -8.203 -18.433 -20.936
  194    HB2  LYS  22           1HB      LYS  22  -8.862 -16.365 -22.068
  195    HB3  LYS  22           2HB      LYS  22  -8.756 -16.125 -20.328
  196    HG2  LYS  22           1HG      LYS  22  -7.215 -14.541 -20.548
  197    HG3  LYS  22           2HG      LYS  22  -6.255 -15.520 -21.658
  198    HD2  LYS  22           1HD      LYS  22  -7.699 -14.859 -23.509
  199    HD3  LYS  22           2HD      LYS  22  -8.698 -13.910 -22.404
  200    HE2  LYS  22           1HE      LYS  22  -6.567 -12.636 -21.835
  201    HE3  LYS  22           2HE      LYS  22  -5.853 -13.419 -23.244
  202    HZ1  LYS  22           3HZ      LYS  22  -8.385 -12.262 -23.852
  203    HZ2  LYS  22           1HZ      LYS  22  -6.885 -12.013 -24.594
  204    HZ3  LYS  22           2HZ      LYS  22  -7.317 -11.105 -23.234
  205    H    GLN  23           H        GLN  23  -4.976 -17.417 -21.472
  206    HA   GLN  23           HA       GLN  23  -5.035 -17.683 -24.337
  207    HB2  GLN  23           1HB      GLN  23  -2.634 -17.608 -22.505
  208    HB3  GLN  23           2HB      GLN  23  -2.645 -17.318 -24.239
  209    HG2  GLN  23           1HG      GLN  23  -4.192 -15.607 -22.322
  210    HG3  GLN  23           2HG      GLN  23  -2.504 -15.292 -22.722
  211   HE21  GLN  23          2HE2      GLN  23  -5.656 -15.838 -24.238
  212   HE22  GLN  23          1HE2      GLN  23  -5.409 -14.743 -25.552
  213    H    GLU  24           H        GLU  24  -3.642 -19.572 -21.659
  214    HA   GLU  24           HA       GLU  24  -2.681 -21.686 -23.246
  215    HB2  GLU  24           1HB      GLU  24  -3.546 -21.734 -20.349
  216    HB3  GLU  24           2HB      GLU  24  -2.570 -22.961 -21.144
  217    HG2  GLU  24           1HG      GLU  24  -1.731 -20.086 -20.929
  218    HG3  GLU  24           2HG      GLU  24  -1.323 -21.306 -19.725
  219    H    GLN  25           H        GLN  25  -3.559 -23.600 -23.899
  220    HA   GLN  25           HA       GLN  25  -6.375 -23.708 -24.250
  221    HB2  GLN  25           1HB      GLN  25  -4.064 -25.450 -24.938
  222    HB3  GLN  25           2HB      GLN  25  -5.659 -26.191 -24.923
  223    HG2  GLN  25           1HG      GLN  25  -5.517 -25.539 -27.102
  224    HG3  GLN  25           2HG      GLN  25  -6.301 -24.127 -26.393
  225   HE21  GLN  25          2HE2      GLN  25  -5.579 -22.574 -27.734
  226   HE22  GLN  25          1HE2      GLN  25  -3.915 -22.159 -27.943
  227    HA   PRO  26           HA       PRO  26  -7.795 -25.935 -20.750
  228    HB2  PRO  26           1HB      PRO  26  -9.613 -27.637 -21.832
  229    HB3  PRO  26           2HB      PRO  26  -9.891 -25.897 -21.692
  230    HG2  PRO  26           1HG      PRO  26  -8.996 -27.487 -24.065
  231    HG3  PRO  26           2HG      PRO  26 -10.181 -26.170 -23.982
  232    HD2  PRO  26           1HD      PRO  26  -7.642 -25.792 -24.843
  233    HD3  PRO  26           2HD      PRO  26  -8.554 -24.537 -23.981
  Start of MODEL    7
    1    H1   VAL   1           H        VAL   1   2.639  -0.857   0.198
    2    HA   VAL   1           HA       VAL   1   1.955   0.405  -2.217
    3    HB   VAL   1           HB       VAL   1   4.149   0.651  -1.069
    4   HG11  VAL   1          1HG1      VAL   1   4.458  -1.762  -0.578
    5   HG12  VAL   1          2HG1      VAL   1   4.791  -2.030  -2.290
    6   HG13  VAL   1          3HG1      VAL   1   5.866  -1.013  -1.330
    7   HG21  VAL   1          3HG2      VAL   1   3.882   1.401  -3.362
    8   HG22  VAL   1          1HG2      VAL   1   5.496   0.728  -3.127
    9   HG23  VAL   1          2HG2      VAL   1   4.258  -0.216  -3.957
   10    H    SER   2           H        SER   2   2.471  -2.945  -1.399
   11    HA   SER   2           HA       SER   2   2.657  -3.829  -4.134
   12    HB2  SER   2           1HB      SER   2   3.759  -5.023  -2.227
   13    HB3  SER   2           2HB      SER   2   2.158  -5.490  -1.654
   14    HG   SER   2           HG       SER   2   3.353  -6.175  -4.136
   15    H    VAL   3           H        VAL   3   0.146  -3.116  -1.923
   16    HA   VAL   3           HA       VAL   3  -1.836  -4.813  -3.162
   17    HB   VAL   3           HB       VAL   3  -2.279  -2.535  -1.229
   18   HG11  VAL   3          1HG1      VAL   3  -4.292  -4.105  -0.697
   19   HG12  VAL   3          2HG1      VAL   3  -4.365  -3.020  -2.086
   20   HG13  VAL   3          3HG1      VAL   3  -3.990  -4.727  -2.319
   21   HG21  VAL   3          3HG2      VAL   3  -2.558  -4.930   0.143
   22   HG22  VAL   3          1HG2      VAL   3  -1.105  -5.152  -0.831
   23   HG23  VAL   3          2HG2      VAL   3  -1.221  -3.789   0.281
   24    H    ASP   4           H        ASP   4  -0.540  -1.689  -3.685
   25    HA   ASP   4           HA       ASP   4  -2.754  -0.391  -4.840
   26    HB2  ASP   4           1HB      ASP   4  -0.027   0.189  -4.397
   27    HB3  ASP   4           2HB      ASP   4  -0.305   0.402  -6.123
   28    HA   PRO   5           HA       PRO   5  -1.049  -2.033  -9.068
   29    HB2  PRO   5           1HB      PRO   5   0.705  -4.102  -8.948
   30    HB3  PRO   5           2HB      PRO   5   1.214  -2.409  -8.945
   31    HG2  PRO   5           1HG      PRO   5   0.908  -4.299  -6.644
   32    HG3  PRO   5           2HG      PRO   5   2.205  -3.134  -6.970
   33    HD2  PRO   5           1HD      PRO   5   0.206  -2.636  -5.213
   34    HD3  PRO   5           2HD      PRO   5   0.978  -1.355  -6.169
   35    H    PHE   6           H        PHE   6  -2.138  -3.787  -6.403
   36    HA   PHE   6           HA       PHE   6  -3.109  -6.002  -8.071
   37    HB2  PHE   6           1HB      PHE   6  -2.319  -5.754  -5.249
   38    HB3  PHE   6           2HB      PHE   6  -3.802  -6.668  -5.507
   39    HD1  PHE   6           HD2      PHE   6  -3.775  -8.738  -6.812
   40    HD2  PHE   6           HD1      PHE   6  -0.197  -6.602  -5.941
   41    HE1  PHE   6           HE2      PHE   6  -2.449 -10.720  -7.416
   42    HE2  PHE   6           HE1      PHE   6   1.135  -8.581  -6.546
   43    HZ   PHE   6           HZ       PHE   6   0.009 -10.643  -7.283
   44    H    TYR   7           H        TYR   7  -4.083  -3.079  -6.795
   45    HA   TYR   7           HA       TYR   7  -6.690  -3.563  -5.910
   46    HB2  TYR   7           1HB      TYR   7  -5.169  -1.219  -6.873
   47    HB3  TYR   7           2HB      TYR   7  -6.920  -1.093  -7.004
   48    HD1  TYR   7           HD1      TYR   7  -7.801  -2.553  -4.601
   49    HD2  TYR   7           HD2      TYR   7  -4.599   0.202  -5.117
   50    HE1  TYR   7           HE1      TYR   7  -7.938  -1.957  -2.218
   51    HE2  TYR   7           HE2      TYR   7  -4.727   0.805  -2.736
   52    HH   TYR   7           HH       TYR   7  -6.633   0.728  -0.918
   53    H    GLU   8           H        GLU   8  -5.602  -2.505  -9.139
   54    HA   GLU   8           HA       GLU   8  -8.106  -2.627 -10.379
   55    HB2  GLU   8           1HB      GLU   8  -6.909  -2.576 -12.478
   56    HB3  GLU   8           2HB      GLU   8  -6.113  -1.505 -11.334
   57    HG2  GLU   8           1HG      GLU   8  -4.895  -4.026 -11.061
   58    HG3  GLU   8           2HG      GLU   8  -5.038  -3.710 -12.789
   59    H    MET   9           H        MET   9  -5.968  -5.126  -9.403
   60    HA   MET   9           HA       MET   9  -6.989  -7.112 -11.228
   61    HB2  MET   9           1HB      MET   9  -5.454  -7.724  -8.720
   62    HB3  MET   9           2HB      MET   9  -5.474  -8.606 -10.242
   63    HG2  MET   9           1HG      MET   9  -4.210  -5.917  -9.759
   64    HG3  MET   9           2HG      MET   9  -3.367  -7.455  -9.932
   65    HE1  MET   9           3HE      MET   9  -2.149  -7.303 -13.108
   66    HE2  MET   9           1HE      MET   9  -2.075  -5.631 -12.550
   67    HE3  MET   9           2HE      MET   9  -1.888  -6.954 -11.398
   68    H    LEU  10           H        LEU  10  -7.022  -6.877  -7.665
   69    HA   LEU  10           HA       LEU  10  -9.013  -8.826  -7.300
   70    HB2  LEU  10           1HB      LEU  10  -8.445  -6.522  -5.450
   71    HB3  LEU  10           2HB      LEU  10  -9.119  -8.096  -5.032
   72    HG   LEU  10           HG       LEU  10  -6.388  -8.025  -6.202
   73   HD11  LEU  10          1HD1      LEU  10  -6.697  -6.196  -4.372
   74   HD12  LEU  10          2HD1      LEU  10  -5.307  -7.279  -4.313
   75   HD13  LEU  10          3HD1      LEU  10  -6.698  -7.572  -3.269
   76   HD21  LEU  10          3HD2      LEU  10  -7.939 -10.013  -5.302
   77   HD22  LEU  10          1HD2      LEU  10  -7.117  -9.586  -3.802
   78   HD23  LEU  10          2HD2      LEU  10  -6.177 -10.052  -5.220
   79    H    ALA  11           H        ALA  11  -9.207  -5.288  -7.462
   80    HA   ALA  11           HA       ALA  11 -12.009  -5.154  -7.013
   81    HB1  ALA  11           1HB      ALA  11 -11.829  -2.835  -7.687
   82    HB2  ALA  11           2HB      ALA  11 -10.487  -3.259  -6.622
   83    HB3  ALA  11           3HB      ALA  11 -10.226  -3.131  -8.362
   84    H    ALA  12           H        ALA  12 -10.327  -4.178  -9.994
   85    HA   ALA  12           HA       ALA  12 -12.635  -4.561 -11.603
   86    HB1  ALA  12           1HB      ALA  12 -11.469  -3.311 -13.015
   87    HB2  ALA  12           2HB      ALA  12 -10.099  -3.375 -11.906
   88    HB3  ALA  12           3HB      ALA  12 -10.255  -4.579 -13.185
   89    H    ARG  13           H        ARG  13 -13.373  -6.323 -12.602
   90    HA   ARG  13           HA       ARG  13 -12.014  -8.837 -12.236
   91    HB2  ARG  13           1HB      ARG  13 -14.482  -8.427 -13.905
   92    HB3  ARG  13           2HB      ARG  13 -13.988  -9.859 -13.012
   93    HG2  ARG  13           1HG      ARG  13 -14.480  -8.792 -10.919
   94    HG3  ARG  13           2HG      ARG  13 -14.812  -7.262 -11.733
   95    HD2  ARG  13           1HD      ARG  13 -16.900  -7.873 -12.239
   96    HD3  ARG  13           2HD      ARG  13 -16.380  -9.459 -12.809
   97    HE   ARG  13           HE       ARG  13 -17.562  -8.873 -10.307
   98   HH11  ARG  13          1HH1      ARG  13 -15.108 -10.855 -11.779
   99   HH12  ARG  13          2HH1      ARG  13 -15.221 -12.108 -10.588
  100   HH21  ARG  13          1HH2      ARG  13 -17.721 -10.516  -8.733
  101   HH22  ARG  13          2HH2      ARG  13 -16.708 -11.915  -8.856
  102    H    LYS  14           H        LYS  14 -11.625  -6.417 -14.410
  103    HA   LYS  14           HA       LYS  14 -11.559  -7.678 -16.908
  104    HB2  LYS  14           1HB      LYS  14 -10.300  -5.250 -15.729
  105    HB3  LYS  14           2HB      LYS  14  -9.652  -5.847 -17.252
  106    HG2  LYS  14           1HG      LYS  14 -11.227  -4.346 -17.976
  107    HG3  LYS  14           2HG      LYS  14 -12.147  -5.852 -17.996
  108    HD2  LYS  14           1HD      LYS  14 -13.596  -4.382 -16.935
  109    HD3  LYS  14           2HD      LYS  14 -12.809  -5.194 -15.579
  110    HE2  LYS  14           1HE      LYS  14 -11.396  -3.341 -15.171
  111    HE3  LYS  14           2HE      LYS  14 -11.816  -2.589 -16.709
  112    HZ1  LYS  14           3HZ      LYS  14 -13.235  -1.416 -15.459
  113    HZ2  LYS  14           1HZ      LYS  14 -13.215  -2.526 -14.182
  114    HZ3  LYS  14           2HZ      LYS  14 -14.212  -2.796 -15.522
  115    H    LYS  15           H        LYS  15  -9.490  -7.983 -14.195
  116    HA   LYS  15           HA       LYS  15  -7.069  -8.681 -15.421
  117    HB2  LYS  15           1HB      LYS  15  -7.758  -8.308 -12.886
  118    HB3  LYS  15           2HB      LYS  15  -7.910 -10.060 -12.912
  119    HG2  LYS  15           1HG      LYS  15  -5.424  -8.741 -13.921
  120    HG3  LYS  15           2HG      LYS  15  -5.673  -8.996 -12.192
  121    HD2  LYS  15           1HD      LYS  15  -5.363 -11.223 -12.349
  122    HD3  LYS  15           2HD      LYS  15  -6.220 -11.336 -13.888
  123    HE2  LYS  15           1HE      LYS  15  -4.320 -10.761 -15.120
  124    HE3  LYS  15           2HE      LYS  15  -3.501 -10.083 -13.713
  125    HZ1  LYS  15           3HZ      LYS  15  -2.569 -12.038 -13.326
  126    HZ2  LYS  15           1HZ      LYS  15  -3.277 -12.657 -14.732
  127    HZ3  LYS  15           2HZ      LYS  15  -4.076 -12.801 -13.248
  128    H    ARG  16           H        ARG  16  -9.505 -10.892 -14.031
  129    HA   ARG  16           HA       ARG  16  -8.398 -13.227 -15.131
  130    HB2  ARG  16           1HB      ARG  16 -10.369 -14.339 -14.416
  131    HB3  ARG  16           2HB      ARG  16 -10.068 -13.069 -13.237
  132    HG2  ARG  16           1HG      ARG  16 -11.701 -11.817 -15.041
  133    HG3  ARG  16           2HG      ARG  16 -12.329 -13.466 -15.031
  134    HD2  ARG  16           1HD      ARG  16 -11.854 -12.851 -12.353
  135    HD3  ARG  16           2HD      ARG  16 -12.565 -11.390 -13.037
  136    HE   ARG  16           HE       ARG  16 -14.561 -12.482 -13.125
  137   HH11  ARG  16          1HH1      ARG  16 -12.012 -14.851 -13.010
  138   HH12  ARG  16          2HH1      ARG  16 -13.093 -16.201 -12.909
  139   HH21  ARG  16          1HH2      ARG  16 -15.995 -14.251 -12.992
  140   HH22  ARG  16          2HH2      ARG  16 -15.358 -15.859 -12.900
  141    H    ILE  17           H        ILE  17 -10.290 -10.741 -16.536
  142    HA   ILE  17           HA       ILE  17 -11.345 -12.338 -18.691
  143    HB   ILE  17           HB       ILE  17 -11.225  -9.335 -18.387
  144   HG12  ILE  17          1HG1      ILE  17 -13.642 -11.099 -18.040
  145   HG13  ILE  17          2HG1      ILE  17 -12.568 -10.735 -16.694
  146   HG21  ILE  17          1HG2      ILE  17 -11.506  -9.687 -20.668
  147   HG22  ILE  17          2HG2      ILE  17 -12.493 -11.127 -20.423
  148   HG23  ILE  17          3HG2      ILE  17 -13.161  -9.532 -20.078
  149   HD11  ILE  17          3HD1      ILE  17 -13.419  -8.372 -18.168
  150   HD12  ILE  17          1HD1      ILE  17 -14.748  -9.272 -17.438
  151   HD13  ILE  17          2HD1      ILE  17 -13.417  -8.694 -16.435
  152    H    SER  18           H        SER  18  -8.683 -10.067 -18.226
  153    HA   SER  18           HA       SER  18  -7.872 -10.188 -20.990
  154    HB2  SER  18           1HB      SER  18  -6.913  -8.798 -18.534
  155    HB3  SER  18           2HB      SER  18  -5.756  -9.039 -19.842
  156    HG   SER  18           HG       SER  18  -7.088  -7.893 -21.210
  157    H    VAL  19           H        VAL  19  -7.708 -12.382 -18.596
  158    HA   VAL  19           HA       VAL  19  -5.058 -13.273 -18.545
  159    HB   VAL  19           HB       VAL  19  -6.996 -14.043 -17.076
  160   HG11  VAL  19          1HG1      VAL  19  -7.413 -16.285 -18.971
  161   HG12  VAL  19          2HG1      VAL  19  -8.518 -15.574 -17.794
  162   HG13  VAL  19          3HG1      VAL  19  -8.219 -14.758 -19.329
  163   HG21  VAL  19          3HG2      VAL  19  -4.576 -15.210 -17.718
  164   HG22  VAL  19          1HG2      VAL  19  -5.596 -15.616 -16.338
  165   HG23  VAL  19          2HG2      VAL  19  -5.724 -16.544 -17.833
  166    H    LYS  20           H        LYS  20  -4.073 -15.089 -19.593
  167    HA   LYS  20           HA       LYS  20  -4.645 -15.162 -22.418
  168    HB2  LYS  20           1HB      LYS  20  -2.553 -16.594 -20.769
  169    HB3  LYS  20           2HB      LYS  20  -2.642 -16.631 -22.525
  170    HG2  LYS  20           1HG      LYS  20  -1.039 -15.017 -22.112
  171    HG3  LYS  20           2HG      LYS  20  -2.502 -14.063 -22.367
  172    HD2  LYS  20           1HD      LYS  20  -2.741 -13.608 -20.085
  173    HD3  LYS  20           2HD      LYS  20  -1.663 -14.925 -19.617
  174    HE2  LYS  20           1HE      LYS  20   0.233 -13.711 -20.568
  175    HE3  LYS  20           2HE      LYS  20  -0.842 -12.401 -21.053
  176    HZ1  LYS  20           3HZ      LYS  20   0.254 -13.020 -18.450
  177    HZ2  LYS  20           1HZ      LYS  20  -1.387 -12.606 -18.440
  178    HZ3  LYS  20           2HZ      LYS  20  -0.249 -11.537 -19.089
  179    H    LYS  21           H        LYS  21  -5.726 -16.869 -19.750
  180    HA   LYS  21           HA       LYS  21  -5.863 -19.508 -20.672
  181    HB2  LYS  21           1HB      LYS  21  -6.471 -18.406 -18.351
  182    HB3  LYS  21           2HB      LYS  21  -8.090 -18.370 -19.036
  183    HG2  LYS  21           1HG      LYS  21  -7.617 -20.885 -19.549
  184    HG3  LYS  21           2HG      LYS  21  -6.401 -20.706 -18.283
  185    HD2  LYS  21           1HD      LYS  21  -9.296 -19.938 -17.944
  186    HD3  LYS  21           2HD      LYS  21  -8.641 -21.514 -17.493
  187    HE2  LYS  21           1HE      LYS  21  -7.386 -19.001 -16.461
  188    HE3  LYS  21           2HE      LYS  21  -8.841 -19.645 -15.700
  189    HZ1  LYS  21           3HZ      LYS  21  -6.332 -21.183 -16.092
  190    HZ2  LYS  21           1HZ      LYS  21  -7.706 -21.690 -15.245
  191    HZ3  LYS  21           2HZ      LYS  21  -6.768 -20.415 -14.650
  192    H    LYS  22           H        LYS  22  -8.053 -16.774 -21.137
  193    HA   LYS  22           HA       LYS  22 -10.142 -18.156 -22.397
  194    HB2  LYS  22           1HB      LYS  22 -10.957 -16.037 -23.080
  195    HB3  LYS  22           2HB      LYS  22 -10.167 -15.773 -21.531
  196    HG2  LYS  22           1HG      LYS  22  -8.189 -14.919 -22.684
  197    HG3  LYS  22           2HG      LYS  22  -8.986 -15.179 -24.238
  198    HD2  LYS  22           1HD      LYS  22 -10.561 -13.493 -23.841
  199    HD3  LYS  22           2HD      LYS  22 -10.238 -13.476 -22.106
  200    HE2  LYS  22           1HE      LYS  22  -9.216 -11.532 -22.946
  201    HE3  LYS  22           2HE      LYS  22  -7.900 -12.680 -22.704
  202    HZ1  LYS  22           3HZ      LYS  22  -8.174 -13.246 -25.125
  203    HZ2  LYS  22           1HZ      LYS  22  -7.554 -11.705 -24.800
  204    HZ3  LYS  22           2HZ      LYS  22  -9.172 -11.886 -25.258
  205    H    GLN  23           H        GLN  23  -7.004 -17.335 -23.499
  206    HA   GLN  23           HA       GLN  23  -7.620 -17.374 -26.306
  207    HB2  GLN  23           1HB      GLN  23  -4.927 -17.665 -24.966
  208    HB3  GLN  23           2HB      GLN  23  -5.226 -17.240 -26.646
  209    HG2  GLN  23           1HG      GLN  23  -6.212 -15.551 -24.372
  210    HG3  GLN  23           2HG      GLN  23  -4.601 -15.361 -25.061
  211   HE21  GLN  23          2HE2      GLN  23  -8.021 -15.452 -25.952
  212   HE22  GLN  23          1HE2      GLN  23  -7.899 -14.302 -27.235
  213    H    GLU  24           H        GLU  24  -8.838 -19.489 -25.946
  214    HA   GLU  24           HA       GLU  24  -7.227 -21.865 -25.690
  215    HB2  GLU  24           1HB      GLU  24 -10.071 -21.210 -25.775
  216    HB3  GLU  24           2HB      GLU  24  -9.684 -22.667 -26.679
  217    HG2  GLU  24           1HG      GLU  24  -8.592 -22.344 -23.929
  218    HG3  GLU  24           2HG      GLU  24 -10.289 -22.775 -24.137
  219    H    GLN  25           H        GLN  25  -7.583 -19.720 -28.127
  220    HA   GLN  25           HA       GLN  25  -8.086 -21.266 -30.405
  221    HB2  GLN  25           1HB      GLN  25  -7.008 -18.620 -29.817
  222    HB3  GLN  25           2HB      GLN  25  -6.277 -19.345 -31.243
  223    HG2  GLN  25           1HG      GLN  25  -8.030 -18.683 -32.410
  224    HG3  GLN  25           2HG      GLN  25  -9.021 -19.812 -31.487
  225   HE21  GLN  25          2HE2      GLN  25  -8.057 -16.511 -31.896
  226   HE22  GLN  25          1HE2      GLN  25  -9.251 -15.816 -30.859
  227    HA   PRO  26           HA       PRO  26  -4.484 -23.665 -31.114
  228    HB2  PRO  26           1HB      PRO  26  -4.162 -23.462 -33.802
  229    HB3  PRO  26           2HB      PRO  26  -5.466 -24.395 -33.059
  230    HG2  PRO  26           1HG      PRO  26  -5.532 -21.635 -34.216
  231    HG3  PRO  26           2HG      PRO  26  -6.709 -22.950 -34.391
  232    HD2  PRO  26           1HD      PRO  26  -7.070 -20.891 -32.670
  233    HD3  PRO  26           2HD      PRO  26  -7.674 -22.528 -32.341
  Start of MODEL    8
    1    H1   VAL   1           H        VAL   1   2.633  -1.192   0.459
    2    HA   VAL   1           HA       VAL   1   1.787   0.241  -1.821
    3    HB   VAL   1           HB       VAL   1   4.134   0.236  -2.505
    4   HG11  VAL   1          1HG1      VAL   1   3.157   1.081   0.076
    5   HG12  VAL   1          2HG1      VAL   1   4.893   0.763   0.123
    6   HG13  VAL   1          3HG1      VAL   1   4.236   1.911  -1.045
    7   HG21  VAL   1          3HG2      VAL   1   4.860  -1.963  -2.061
    8   HG22  VAL   1          1HG2      VAL   1   5.778  -0.933  -0.962
    9   HG23  VAL   1          2HG2      VAL   1   4.400  -1.856  -0.361
   10    H    SER   2           H        SER   2   2.398  -3.119  -1.255
   11    HA   SER   2           HA       SER   2   2.686  -3.812  -4.036
   12    HB2  SER   2           1HB      SER   2   3.770  -5.139  -2.247
   13    HB3  SER   2           2HB      SER   2   2.178  -5.603  -1.647
   14    HG   SER   2           HG       SER   2   2.378  -7.189  -3.009
   15    H    VAL   3           H        VAL   3   0.093  -3.290  -1.865
   16    HA   VAL   3           HA       VAL   3  -1.819  -4.926  -3.280
   17    HB   VAL   3           HB       VAL   3  -3.494  -3.800  -1.801
   18   HG11  VAL   3          1HG1      VAL   3  -1.125  -4.994  -0.367
   19   HG12  VAL   3          2HG1      VAL   3  -2.785  -4.924   0.228
   20   HG13  VAL   3          3HG1      VAL   3  -2.392  -5.911  -1.181
   21   HG21  VAL   3          3HG2      VAL   3  -2.770  -2.352  -0.031
   22   HG22  VAL   3          1HG2      VAL   3  -1.082  -2.539  -0.507
   23   HG23  VAL   3          2HG2      VAL   3  -2.206  -1.681  -1.561
   24    H    ASP   4           H        ASP   4  -0.569  -1.746  -3.538
   25    HA   ASP   4           HA       ASP   4  -2.759  -0.408  -4.683
   26    HB2  ASP   4           1HB      ASP   4  -1.098   1.071  -4.103
   27    HB3  ASP   4           2HB      ASP   4   0.192   0.001  -4.644
   28    HA   PRO   5           HA       PRO   5  -0.904  -1.742  -8.955
   29    HB2  PRO   5           1HB      PRO   5   0.884  -3.785  -8.919
   30    HB3  PRO   5           2HB      PRO   5   1.362  -2.088  -8.790
   31    HG2  PRO   5           1HG      PRO   5   1.024  -4.132  -6.628
   32    HG3  PRO   5           2HG      PRO   5   2.308  -2.926  -6.837
   33    HD2  PRO   5           1HD      PRO   5   0.250  -2.578  -5.112
   34    HD3  PRO   5           2HD      PRO   5   1.026  -1.224  -5.958
   35    H    PHE   6           H        PHE   6  -2.034  -3.689  -6.444
   36    HA   PHE   6           HA       PHE   6  -2.946  -5.780  -8.299
   37    HB2  PHE   6           1HB      PHE   6  -2.169  -5.771  -5.460
   38    HB3  PHE   6           2HB      PHE   6  -3.621  -6.700  -5.817
   39    HD1  PHE   6           HD2      PHE   6  -3.515  -8.599  -7.391
   40    HD2  PHE   6           HD1      PHE   6  -0.021  -6.522  -6.127
   41    HE1  PHE   6           HE2      PHE   6  -2.124 -10.474  -8.166
   42    HE2  PHE   6           HE1      PHE   6   1.375  -8.394  -6.901
   43    HZ   PHE   6           HZ       PHE   6   0.324 -10.374  -7.921
   44    H    TYR   7           H        TYR   7  -3.967  -3.000  -6.771
   45    HA   TYR   7           HA       TYR   7  -6.559  -3.599  -5.920
   46    HB2  TYR   7           1HB      TYR   7  -5.059  -1.176  -6.642
   47    HB3  TYR   7           2HB      TYR   7  -6.800  -1.043  -6.869
   48    HD1  TYR   7           HD2      TYR   7  -7.798  -2.700  -4.635
   49    HD2  TYR   7           HD1      TYR   7  -4.619   0.126  -4.757
   50    HE1  TYR   7           HE2      TYR   7  -8.082  -2.285  -2.227
   51    HE2  TYR   7           HE1      TYR   7  -4.894   0.548  -2.350
   52    HH   TYR   7           HH       TYR   7  -6.809  -1.442  -0.342
   53    H    GLU   8           H        GLU   8  -5.510  -2.274  -9.062
   54    HA   GLU   8           HA       GLU   8  -8.018  -2.338 -10.297
   55    HB2  GLU   8           1HB      GLU   8  -6.840  -2.099 -12.387
   56    HB3  GLU   8           2HB      GLU   8  -6.033  -1.125 -11.166
   57    HG2  GLU   8           1HG      GLU   8  -4.562  -3.293 -10.899
   58    HG3  GLU   8           2HG      GLU   8  -5.112  -3.584 -12.548
   59    H    MET   9           H        MET   9  -5.844  -4.875  -9.520
   60    HA   MET   9           HA       MET   9  -6.847  -6.731 -11.487
   61    HB2  MET   9           1HB      MET   9  -5.290  -7.504  -9.037
   62    HB3  MET   9           2HB      MET   9  -5.312  -8.278 -10.616
   63    HG2  MET   9           1HG      MET   9  -4.104  -5.591 -10.001
   64    HG3  MET   9           2HG      MET   9  -3.216  -7.101 -10.192
   65    HE1  MET   9           3HE      MET   9  -1.753  -5.491 -12.522
   66    HE2  MET   9           1HE      MET   9  -1.816  -7.096 -11.793
   67    HE3  MET   9           2HE      MET   9  -2.069  -6.906 -13.528
   68    H    LEU  10           H        LEU  10  -6.875  -6.753  -7.916
   69    HA   LEU  10           HA       LEU  10  -8.828  -8.758  -7.685
   70    HB2  LEU  10           1HB      LEU  10  -8.296  -6.571  -5.687
   71    HB3  LEU  10           2HB      LEU  10  -8.953  -8.176  -5.372
   72    HG   LEU  10           HG       LEU  10  -6.221  -7.995  -6.530
   73   HD11  LEU  10          1HD1      LEU  10  -6.517  -7.768  -3.575
   74   HD12  LEU  10          2HD1      LEU  10  -6.582  -6.307  -4.560
   75   HD13  LEU  10          3HD1      LEU  10  -5.154  -7.341  -4.609
   76   HD21  LEU  10          3HD2      LEU  10  -7.360 -10.148  -6.119
   77   HD22  LEU  10          1HD2      LEU  10  -7.440  -9.751  -4.403
   78   HD23  LEU  10          2HD2      LEU  10  -5.874  -9.970  -5.185
   79    H    ALA  11           H        ALA  11  -9.092  -5.221  -7.612
   80    HA   ALA  11           HA       ALA  11 -11.851  -5.090  -7.083
   81    HB1  ALA  11           1HB      ALA  11 -10.441  -3.030  -8.736
   82    HB2  ALA  11           2HB      ALA  11 -11.700  -2.816  -7.518
   83    HB3  ALA  11           3HB      ALA  11 -10.058  -3.230  -7.026
   84    H    ALA  12           H        ALA  12 -10.303  -4.309 -10.200
   85    HA   ALA  12           HA       ALA  12 -12.682  -4.567 -11.690
   86    HB1  ALA  12           1HB      ALA  12 -11.453  -3.747 -13.361
   87    HB2  ALA  12           2HB      ALA  12 -10.147  -3.618 -12.182
   88    HB3  ALA  12           3HB      ALA  12 -10.255  -5.035 -13.227
   89    H    ARG  13           H        ARG  13 -13.618  -6.251 -12.707
   90    HA   ARG  13           HA       ARG  13 -12.688  -8.906 -12.067
   91    HB2  ARG  13           1HB      ARG  13 -14.993  -8.291 -13.894
   92    HB3  ARG  13           2HB      ARG  13 -14.769  -9.674 -12.832
   93    HG2  ARG  13           1HG      ARG  13 -15.382  -6.846 -12.000
   94    HG3  ARG  13           2HG      ARG  13 -16.474  -8.232 -11.940
   95    HD2  ARG  13           1HD      ARG  13 -14.246  -9.078 -10.535
   96    HD3  ARG  13           2HD      ARG  13 -14.425  -7.389 -10.062
   97    HE   ARG  13           HE       ARG  13 -16.237  -8.001  -8.830
   98   HH11  ARG  13          1HH1      ARG  13 -15.725 -10.402 -11.298
   99   HH12  ARG  13          2HH1      ARG  13 -16.988 -11.443 -10.731
  100   HH21  ARG  13          1HH2      ARG  13 -17.903  -9.363  -8.074
  101   HH22  ARG  13          2HH2      ARG  13 -18.227 -10.851  -8.897
  102    H    LYS  14           H        LYS  14 -11.712  -6.803 -14.318
  103    HA   LYS  14           HA       LYS  14 -11.702  -8.490 -16.651
  104    HB2  LYS  14           1HB      LYS  14 -10.101  -5.979 -16.133
  105    HB3  LYS  14           2HB      LYS  14 -10.414  -6.724 -17.695
  106    HG2  LYS  14           1HG      LYS  14 -12.749  -6.187 -17.547
  107    HG3  LYS  14           2HG      LYS  14 -12.546  -5.590 -15.898
  108    HD2  LYS  14           1HD      LYS  14 -11.050  -4.409 -18.223
  109    HD3  LYS  14           2HD      LYS  14 -12.660  -3.851 -17.762
  110    HE2  LYS  14           1HE      LYS  14 -11.894  -3.167 -15.616
  111    HE3  LYS  14           2HE      LYS  14 -10.342  -3.972 -15.844
  112    HZ1  LYS  14           3HZ      LYS  14 -10.290  -2.327 -17.902
  113    HZ2  LYS  14           1HZ      LYS  14  -9.730  -1.876 -16.370
  114    HZ3  LYS  14           2HZ      LYS  14 -11.275  -1.411 -16.876
  115    H    LYS  15           H        LYS  15 -10.042  -8.634 -13.832
  116    HA   LYS  15           HA       LYS  15  -7.372  -9.042 -14.650
  117    HB2  LYS  15           1HB      LYS  15  -7.934  -8.624 -12.322
  118    HB3  LYS  15           2HB      LYS  15  -8.872 -10.111 -12.251
  119    HG2  LYS  15           1HG      LYS  15  -6.145 -10.581 -13.115
  120    HG3  LYS  15           2HG      LYS  15  -6.225  -9.797 -11.536
  121    HD2  LYS  15           1HD      LYS  15  -8.019 -12.114 -12.085
  122    HD3  LYS  15           2HD      LYS  15  -6.311 -12.418 -11.757
  123    HE2  LYS  15           1HE      LYS  15  -7.961 -10.673  -9.960
  124    HE3  LYS  15           2HE      LYS  15  -7.960 -12.427  -9.782
  125    HZ1  LYS  15           3HZ      LYS  15  -5.646 -12.417  -9.341
  126    HZ2  LYS  15           1HZ      LYS  15  -6.329 -11.219  -8.359
  127    HZ3  LYS  15           2HZ      LYS  15  -5.490 -10.786  -9.763
  128    H    ARG  16           H        ARG  16  -9.766 -11.493 -13.642
  129    HA   ARG  16           HA       ARG  16  -8.309 -13.704 -14.542
  130    HB2  ARG  16           1HB      ARG  16 -10.588 -14.850 -14.548
  131    HB3  ARG  16           2HB      ARG  16 -10.065 -14.133 -13.029
  132    HG2  ARG  16           1HG      ARG  16 -11.590 -12.282 -14.667
  133    HG3  ARG  16           2HG      ARG  16 -12.491 -13.745 -14.263
  134    HD2  ARG  16           1HD      ARG  16 -11.053 -11.997 -12.270
  135    HD3  ARG  16           2HD      ARG  16 -12.782 -11.925 -12.609
  136    HE   ARG  16           HE       ARG  16 -13.024 -14.075 -11.621
  137   HH11  ARG  16          1HH1      ARG  16  -9.827 -12.729 -11.332
  138   HH12  ARG  16          2HH1      ARG  16  -9.364 -13.772 -10.029
  139   HH21  ARG  16          1HH2      ARG  16 -12.427 -15.454  -9.905
  140   HH22  ARG  16          2HH2      ARG  16 -10.843 -15.322  -9.218
  141    H    ILE  17           H        ILE  17 -10.621 -11.627 -16.189
  142    HA   ILE  17           HA       ILE  17 -10.893 -13.221 -18.519
  143    HB   ILE  17           HB       ILE  17 -11.228 -10.229 -18.411
  144   HG12  ILE  17          1HG1      ILE  17 -12.460 -11.104 -16.531
  145   HG13  ILE  17          2HG1      ILE  17 -13.608 -10.711 -17.807
  146   HG21  ILE  17          1HG2      ILE  17 -11.317 -11.619 -20.586
  147   HG22  ILE  17          2HG2      ILE  17 -12.877 -12.173 -19.979
  148   HG23  ILE  17          3HG2      ILE  17 -12.604 -10.455 -20.267
  149   HD11  ILE  17          3HD1      ILE  17 -14.429 -12.749 -17.589
  150   HD12  ILE  17          1HD1      ILE  17 -12.912 -13.380 -18.228
  151   HD13  ILE  17          2HD1      ILE  17 -13.132 -13.208 -16.486
  152    H    SER  18           H        SER  18  -8.734 -10.576 -17.623
  153    HA   SER  18           HA       SER  18  -7.478 -10.511 -20.221
  154    HB2  SER  18           1HB      SER  18  -7.697  -8.462 -18.852
  155    HB3  SER  18           2HB      SER  18  -6.642  -9.177 -17.633
  156    HG   SER  18           HG       SER  18  -5.200  -8.139 -18.809
  157    H    VAL  19           H        VAL  19  -7.375 -12.736 -17.898
  158    HA   VAL  19           HA       VAL  19  -4.678 -13.168 -17.308
  159    HB   VAL  19           HB       VAL  19  -6.761 -14.351 -16.354
  160   HG11  VAL  19          1HG1      VAL  19  -7.707 -16.102 -17.435
  161   HG12  VAL  19          2HG1      VAL  19  -7.149 -15.219 -18.857
  162   HG13  VAL  19          3HG1      VAL  19  -6.202 -16.567 -18.228
  163   HG21  VAL  19          3HG2      VAL  19  -5.334 -15.725 -15.292
  164   HG22  VAL  19          1HG2      VAL  19  -4.749 -16.439 -16.795
  165   HG23  VAL  19          2HG2      VAL  19  -4.098 -14.896 -16.239
  166    H    LYS  20           H        LYS  20  -3.093 -14.469 -18.234
  167    HA   LYS  20           HA       LYS  20  -3.057 -14.522 -21.081
  168    HB2  LYS  20           1HB      LYS  20  -1.182 -15.687 -19.019
  169    HB3  LYS  20           2HB      LYS  20  -0.875 -15.734 -20.750
  170    HG2  LYS  20           1HG      LYS  20  -1.214 -13.234 -19.106
  171    HG3  LYS  20           2HG      LYS  20   0.323 -13.910 -19.647
  172    HD2  LYS  20           1HD      LYS  20  -0.498 -13.682 -21.999
  173    HD3  LYS  20           2HD      LYS  20  -1.905 -12.825 -21.365
  174    HE2  LYS  20           1HE      LYS  20  -0.170 -11.295 -20.220
  175    HE3  LYS  20           2HE      LYS  20   0.974 -11.990 -21.367
  176    HZ1  LYS  20           3HZ      LYS  20  -1.291 -10.203 -21.852
  177    HZ2  LYS  20           1HZ      LYS  20  -0.911 -11.335 -23.051
  178    HZ3  LYS  20           2HZ      LYS  20   0.249 -10.209 -22.553
  179    H    LYS  21           H        LYS  21  -4.167 -16.699 -18.701
  180    HA   LYS  21           HA       LYS  21  -3.742 -19.175 -19.934
  181    HB2  LYS  21           1HB      LYS  21  -5.164 -18.187 -17.686
  182    HB3  LYS  21           2HB      LYS  21  -6.286 -19.166 -18.621
  183    HG2  LYS  21           1HG      LYS  21  -5.408 -20.807 -17.343
  184    HG3  LYS  21           2HG      LYS  21  -4.200 -20.823 -18.630
  185    HD2  LYS  21           1HD      LYS  21  -2.798 -20.686 -16.843
  186    HD3  LYS  21           2HD      LYS  21  -3.101 -18.962 -17.072
  187    HE2  LYS  21           1HE      LYS  21  -3.490 -19.169 -14.821
  188    HE3  LYS  21           2HE      LYS  21  -5.115 -19.420 -15.458
  189    HZ1  LYS  21           3HZ      LYS  21  -5.156 -21.441 -14.587
  190    HZ2  LYS  21           1HZ      LYS  21  -3.675 -21.126 -13.832
  191    HZ3  LYS  21           2HZ      LYS  21  -3.708 -21.873 -15.349
  192    H    LYS  22           H        LYS  22  -6.497 -16.942 -20.176
  193    HA   LYS  22           HA       LYS  22  -8.056 -18.483 -21.918
  194    HB2  LYS  22           1HB      LYS  22  -8.859 -16.486 -20.677
  195    HB3  LYS  22           2HB      LYS  22  -7.917 -15.466 -21.758
  196    HG2  LYS  22           1HG      LYS  22 -10.140 -15.399 -22.538
  197    HG3  LYS  22           2HG      LYS  22  -9.253 -16.437 -23.657
  198    HD2  LYS  22           1HD      LYS  22 -10.107 -18.283 -21.899
  199    HD3  LYS  22           2HD      LYS  22 -11.410 -17.101 -21.749
  200    HE2  LYS  22           1HE      LYS  22 -11.315 -17.161 -24.378
  201    HE3  LYS  22           2HE      LYS  22 -10.583 -18.740 -24.097
  202    HZ1  LYS  22           3HZ      LYS  22 -13.196 -18.371 -24.279
  203    HZ2  LYS  22           1HZ      LYS  22 -13.015 -18.161 -22.610
  204    HZ3  LYS  22           2HZ      LYS  22 -12.509 -19.600 -23.341
  205    H    GLN  23           H        GLN  23  -5.497 -16.136 -22.554
  206    HA   GLN  23           HA       GLN  23  -5.795 -15.943 -25.328
  207    HB2  GLN  23           1HB      GLN  23  -3.153 -15.832 -23.881
  208    HB3  GLN  23           2HB      GLN  23  -3.602 -15.013 -25.371
  209    HG2  GLN  23           1HG      GLN  23  -4.584 -14.421 -22.592
  210    HG3  GLN  23           2HG      GLN  23  -3.564 -13.408 -23.613
  211   HE21  GLN  23          2HE2      GLN  23  -6.414 -13.336 -22.358
  212   HE22  GLN  23          1HE2      GLN  23  -7.372 -12.690 -23.642
  213    H    GLU  24           H        GLU  24  -3.672 -18.077 -23.424
  214    HA   GLU  24           HA       GLU  24  -2.606 -19.469 -25.628
  215    HB2  GLU  24           1HB      GLU  24  -2.817 -20.055 -22.693
  216    HB3  GLU  24           2HB      GLU  24  -2.209 -21.281 -23.797
  217    HG2  GLU  24           1HG      GLU  24  -1.060 -18.513 -23.542
  218    HG3  GLU  24           2HG      GLU  24  -0.444 -19.932 -22.696
  219    H    GLN  25           H        GLN  25  -2.980 -21.735 -26.185
  220    HA   GLN  25           HA       GLN  25  -5.746 -22.232 -26.663
  221    HB2  GLN  25           1HB      GLN  25  -3.181 -23.594 -27.325
  222    HB3  GLN  25           2HB      GLN  25  -4.660 -24.542 -27.414
  223    HG2  GLN  25           1HG      GLN  25  -5.551 -22.595 -28.851
  224    HG3  GLN  25           2HG      GLN  25  -3.852 -22.154 -29.018
  225   HE21  GLN  25          2HE2      GLN  25  -6.123 -24.819 -29.453
  226   HE22  GLN  25          1HE2      GLN  25  -5.287 -25.553 -30.774
  227    HA   PRO  26           HA       PRO  26  -6.900 -24.786 -23.291
  228    HB2  PRO  26           1HB      PRO  26  -8.407 -26.700 -24.489
  229    HB3  PRO  26           2HB      PRO  26  -8.951 -25.029 -24.296
  230    HG2  PRO  26           1HG      PRO  26  -7.763 -26.369 -26.695
  231    HG3  PRO  26           2HG      PRO  26  -9.137 -25.252 -26.603
  232    HD2  PRO  26           1HD      PRO  26  -6.664 -24.459 -27.369
  233    HD3  PRO  26           2HD      PRO  26  -7.780 -23.392 -26.493
  Start of MODEL    9
    1    H1   VAL   1           H        VAL   1   2.232  -1.063   0.543
    2    HA   VAL   1           HA       VAL   1   1.854   0.361  -1.876
    3    HB   VAL   1           HB       VAL   1   4.306  -1.122  -0.917
    4   HG11  VAL   1          1HG1      VAL   1   3.862   0.856  -3.133
    5   HG12  VAL   1          2HG1      VAL   1   5.451   0.599  -2.411
    6   HG13  VAL   1          3HG1      VAL   1   4.619  -0.734  -3.212
    7   HG21  VAL   1          3HG2      VAL   1   3.088   1.442  -0.177
    8   HG22  VAL   1          1HG2      VAL   1   4.242   0.437   0.699
    9   HG23  VAL   1          2HG2      VAL   1   4.806   1.530  -0.565
   10    H    SER   2           H        SER   2   2.271  -3.035  -1.116
   11    HA   SER   2           HA       SER   2   2.640  -3.822  -3.863
   12    HB2  SER   2           1HB      SER   2   3.067  -5.926  -3.052
   13    HB3  SER   2           2HB      SER   2   3.378  -5.002  -1.582
   14    HG   SER   2           HG       SER   2   1.718  -6.947  -1.791
   15    H    VAL   3           H        VAL   3  -0.013  -3.188  -1.799
   16    HA   VAL   3           HA       VAL   3  -1.905  -4.842  -3.222
   17    HB   VAL   3           HB       VAL   3  -2.470  -2.633  -1.242
   18   HG11  VAL   3          1HG1      VAL   3  -4.439  -3.161  -2.460
   19   HG12  VAL   3          2HG1      VAL   3  -4.131  -4.894  -2.335
   20   HG13  VAL   3          3HG1      VAL   3  -4.573  -3.969  -0.899
   21   HG21  VAL   3          3HG2      VAL   3  -1.816  -5.535  -0.855
   22   HG22  VAL   3          1HG2      VAL   3  -1.137  -4.127  -0.040
   23   HG23  VAL   3          2HG2      VAL   3  -2.782  -4.647   0.323
   24    H    ASP   4           H        ASP   4  -0.587  -1.699  -3.551
   25    HA   ASP   4           HA       ASP   4  -2.723  -0.366  -4.808
   26    HB2  ASP   4           1HB      ASP   4  -1.062   1.109  -4.211
   27    HB3  ASP   4           2HB      ASP   4   0.231   0.008  -4.678
   28    HA   PRO   5           HA       PRO   5  -0.730  -1.861  -8.964
   29    HB2  PRO   5           1HB      PRO   5   1.018  -3.931  -8.797
   30    HB3  PRO   5           2HB      PRO   5   1.521  -2.239  -8.702
   31    HG2  PRO   5           1HG      PRO   5   1.065  -4.207  -6.492
   32    HG3  PRO   5           2HG      PRO   5   2.377  -3.031  -6.690
   33    HD2  PRO   5           1HD      PRO   5   0.263  -2.594  -5.056
   34    HD3  PRO   5           2HD      PRO   5   1.094  -1.280  -5.913
   35    H    PHE   6           H        PHE   6  -2.005  -3.695  -6.445
   36    HA   PHE   6           HA       PHE   6  -2.928  -5.793  -8.294
   37    HB2  PHE   6           1HB      PHE   6  -2.150  -5.817  -5.443
   38    HB3  PHE   6           2HB      PHE   6  -3.578  -6.765  -5.845
   39    HD1  PHE   6           HD1      PHE   6  -3.385  -8.520  -7.652
   40    HD2  PHE   6           HD2      PHE   6  -0.005  -6.620  -5.897
   41    HE1  PHE   6           HE1      PHE   6  -1.947 -10.352  -8.446
   42    HE2  PHE   6           HE2      PHE   6   1.438  -8.448  -6.689
   43    HZ   PHE   6           HZ       PHE   6   0.468 -10.317  -7.966
   44    H    TYR   7           H        TYR   7  -3.888  -2.980  -6.875
   45    HA   TYR   7           HA       TYR   7  -6.456  -3.511  -5.899
   46    HB2  TYR   7           1HB      TYR   7  -4.934  -1.156  -6.730
   47    HB3  TYR   7           2HB      TYR   7  -6.663  -0.995  -7.016
   48    HD1  TYR   7           HD1      TYR   7  -7.736  -2.543  -4.717
   49    HD2  TYR   7           HD2      TYR   7  -4.551   0.271  -4.917
   50    HE1  TYR   7           HE1      TYR   7  -8.080  -1.994  -2.344
   51    HE2  TYR   7           HE2      TYR   7  -4.885   0.827  -2.545
   52    HH   TYR   7           HH       TYR   7  -6.505  -1.012  -0.435
   53    H    GLU   8           H        GLU   8  -5.436  -2.486  -9.154
   54    HA   GLU   8           HA       GLU   8  -8.029  -2.592 -10.282
   55    HB2  GLU   8           1HB      GLU   8  -5.523  -2.997 -11.885
   56    HB3  GLU   8           2HB      GLU   8  -7.004  -2.170 -12.345
   57    HG2  GLU   8           1HG      GLU   8  -6.428  -0.446 -10.588
   58    HG3  GLU   8           2HG      GLU   8  -4.841  -1.209 -10.500
   59    H    MET   9           H        MET   9  -5.720  -5.012  -9.517
   60    HA   MET   9           HA       MET   9  -6.694  -6.964 -11.399
   61    HB2  MET   9           1HB      MET   9  -5.049  -7.576  -8.957
   62    HB3  MET   9           2HB      MET   9  -5.094  -8.436 -10.489
   63    HG2  MET   9           1HG      MET   9  -3.980  -5.670 -10.091
   64    HG3  MET   9           2HG      MET   9  -3.028  -7.150 -10.168
   65    HE1  MET   9           3HE      MET   9  -1.628  -7.321 -12.495
   66    HE2  MET   9           1HE      MET   9  -1.922  -5.941 -13.553
   67    HE3  MET   9           2HE      MET   9  -1.689  -5.691 -11.823
   68    H    LEU  10           H        LEU  10  -6.893  -6.524  -7.873
   69    HA   LEU  10           HA       LEU  10  -8.699  -8.716  -7.527
   70    HB2  LEU  10           1HB      LEU  10  -8.175  -6.450  -5.616
   71    HB3  LEU  10           2HB      LEU  10  -8.815  -8.047  -5.233
   72    HG   LEU  10           HG       LEU  10  -6.121  -7.970  -6.450
   73   HD11  LEU  10          1HD1      LEU  10  -4.987  -7.284  -4.496
   74   HD12  LEU  10          2HD1      LEU  10  -6.478  -7.239  -3.556
   75   HD13  LEU  10          3HD1      LEU  10  -6.197  -6.043  -4.821
   76   HD21  LEU  10          3HD2      LEU  10  -6.683  -9.418  -3.954
   77   HD22  LEU  10          1HD2      LEU  10  -5.908  -9.968  -5.440
   78   HD23  LEU  10          2HD2      LEU  10  -7.668  -9.892  -5.339
   79    H    ALA  11           H        ALA  11  -9.019  -5.211  -7.767
   80    HA   ALA  11           HA       ALA  11 -11.814  -5.163  -7.190
   81    HB1  ALA  11           1HB      ALA  11 -10.434  -3.015  -8.748
   82    HB2  ALA  11           2HB      ALA  11 -11.715  -2.878  -7.543
   83    HB3  ALA  11           3HB      ALA  11 -10.067  -3.252  -7.039
   84    H    ALA  12           H        ALA  12 -10.181  -4.256 -10.228
   85    HA   ALA  12           HA       ALA  12 -12.507  -4.586 -11.801
   86    HB1  ALA  12           1HB      ALA  12 -10.123  -3.374 -12.192
   87    HB2  ALA  12           2HB      ALA  12  -9.922  -4.819 -13.183
   88    HB3  ALA  12           3HB      ALA  12 -11.277  -3.729 -13.478
   89    H    ARG  13           H        ARG  13 -13.475  -6.459 -12.202
   90    HA   ARG  13           HA       ARG  13 -12.044  -8.958 -12.075
   91    HB2  ARG  13           1HB      ARG  13 -14.862  -8.099 -12.230
   92    HB3  ARG  13           2HB      ARG  13 -14.502  -9.629 -13.020
   93    HG2  ARG  13           1HG      ARG  13 -13.783  -8.992 -10.168
   94    HG3  ARG  13           2HG      ARG  13 -15.248  -9.842 -10.661
   95    HD2  ARG  13           1HD      ARG  13 -14.022 -11.676 -11.497
   96    HD3  ARG  13           2HD      ARG  13 -12.504 -10.780 -11.448
   97    HE   ARG  13           HE       ARG  13 -13.692 -12.248  -9.316
   98   HH11  ARG  13          1HH1      ARG  13 -11.746  -9.453 -10.039
   99   HH12  ARG  13          2HH1      ARG  13 -10.952  -9.446  -8.499
  100   HH21  ARG  13          1HH2      ARG  13 -12.654 -12.248  -7.285
  101   HH22  ARG  13          2HH2      ARG  13 -11.469 -11.036  -6.933
  102    H    LYS  14           H        LYS  14 -12.179  -6.681 -14.382
  103    HA   LYS  14           HA       LYS  14 -12.739  -8.224 -16.717
  104    HB2  LYS  14           1HB      LYS  14 -11.800  -6.303 -17.942
  105    HB3  LYS  14           2HB      LYS  14 -12.985  -5.804 -16.742
  106    HG2  LYS  14           1HG      LYS  14 -11.328  -4.961 -15.302
  107    HG3  LYS  14           2HG      LYS  14 -10.035  -5.774 -16.188
  108    HD2  LYS  14           1HD      LYS  14 -10.073  -4.242 -17.912
  109    HD3  LYS  14           2HD      LYS  14 -11.747  -3.777 -17.601
  110    HE2  LYS  14           1HE      LYS  14 -10.922  -2.766 -15.434
  111    HE3  LYS  14           2HE      LYS  14  -9.287  -3.013 -16.045
  112    HZ1  LYS  14           3HZ      LYS  14 -10.248  -1.743 -18.098
  113    HZ2  LYS  14           1HZ      LYS  14  -9.693  -0.895 -16.743
  114    HZ3  LYS  14           2HZ      LYS  14 -11.351  -1.146 -16.962
  115    H    LYS  15           H        LYS  15 -10.090  -8.060 -14.620
  116    HA   LYS  15           HA       LYS  15  -7.917  -8.430 -16.345
  117    HB2  LYS  15           1HB      LYS  15  -7.530  -7.928 -14.030
  118    HB3  LYS  15           2HB      LYS  15  -8.389  -9.374 -13.516
  119    HG2  LYS  15           1HG      LYS  15  -6.636 -10.756 -14.549
  120    HG3  LYS  15           2HG      LYS  15  -5.764  -9.286 -14.990
  121    HD2  LYS  15           1HD      LYS  15  -4.942  -9.034 -12.924
  122    HD3  LYS  15           2HD      LYS  15  -6.504  -9.367 -12.173
  123    HE2  LYS  15           1HE      LYS  15  -5.319 -11.170 -11.422
  124    HE3  LYS  15           2HE      LYS  15  -5.949 -11.834 -12.929
  125    HZ1  LYS  15           3HZ      LYS  15  -3.218 -10.924 -12.306
  126    HZ2  LYS  15           1HZ      LYS  15  -3.760 -10.926 -13.908
  127    HZ3  LYS  15           2HZ      LYS  15  -3.725 -12.368 -13.026
  128    H    ARG  16           H        ARG  16  -9.784 -10.901 -14.571
  129    HA   ARG  16           HA       ARG  16  -8.555 -13.119 -15.768
  130    HB2  ARG  16           1HB      ARG  16 -10.278 -14.431 -14.804
  131    HB3  ARG  16           2HB      ARG  16 -10.009 -13.094 -13.693
  132    HG2  ARG  16           1HG      ARG  16 -11.954 -11.942 -14.857
  133    HG3  ARG  16           2HG      ARG  16 -12.295 -13.512 -15.587
  134    HD2  ARG  16           1HD      ARG  16 -12.051 -14.258 -13.025
  135    HD3  ARG  16           2HD      ARG  16 -12.606 -12.601 -12.790
  136    HE   ARG  16           HE       ARG  16 -14.681 -13.276 -13.440
  137   HH11  ARG  16          1HH1      ARG  16 -12.347 -15.546 -14.673
  138   HH12  ARG  16          2HH1      ARG  16 -13.541 -16.622 -15.319
  139   HH21  ARG  16          1HH2      ARG  16 -16.263 -14.685 -14.287
  140   HH22  ARG  16          2HH2      ARG  16 -15.768 -16.131 -15.100
  141    H    ILE  17           H        ILE  17 -10.846 -10.898 -16.992
  142    HA   ILE  17           HA       ILE  17 -11.975 -12.662 -18.972
  143    HB   ILE  17           HB       ILE  17 -12.102  -9.649 -18.932
  144   HG12  ILE  17          1HG1      ILE  17 -12.883 -10.496 -16.782
  145   HG13  ILE  17          2HG1      ILE  17 -14.247  -9.920 -17.734
  146   HG21  ILE  17          1HG2      ILE  17 -12.772 -10.708 -21.030
  147   HG22  ILE  17          2HG2      ILE  17 -13.919 -11.722 -20.155
  148   HG23  ILE  17          3HG2      ILE  17 -14.153  -9.975 -20.213
  149   HD11  ILE  17          3HD1      ILE  17 -13.784 -12.503 -16.598
  150   HD12  ILE  17          1HD1      ILE  17 -15.232 -11.863 -17.374
  151   HD13  ILE  17          2HD1      ILE  17 -13.979 -12.636 -18.345
  152    H    SER  18           H        SER  18  -9.805  -9.835 -19.074
  153    HA   SER  18           HA       SER  18  -9.160 -10.298 -21.844
  154    HB2  SER  18           1HB      SER  18  -7.594  -8.457 -20.064
  155    HB3  SER  18           2HB      SER  18  -7.996  -8.280 -21.772
  156    HG   SER  18           HG       SER  18  -9.308  -7.338 -19.650
  157    H    VAL  19           H        VAL  19  -8.257 -11.825 -19.096
  158    HA   VAL  19           HA       VAL  19  -5.470 -12.031 -19.237
  159    HB   VAL  19           HB       VAL  19  -7.075 -12.896 -17.413
  160   HG11  VAL  19          1HG1      VAL  19  -6.851 -15.559 -18.687
  161   HG12  VAL  19          2HG1      VAL  19  -8.097 -14.912 -17.618
  162   HG13  VAL  19          3HG1      VAL  19  -8.080 -14.466 -19.325
  163   HG21  VAL  19          3HG2      VAL  19  -4.667 -14.464 -18.322
  164   HG22  VAL  19          1HG2      VAL  19  -4.702 -13.113 -17.189
  165   HG23  VAL  19          2HG2      VAL  19  -5.433 -14.655 -16.745
  166    H    LYS  20           H        LYS  20  -4.135 -13.731 -20.048
  167    HA   LYS  20           HA       LYS  20  -4.929 -14.601 -22.681
  168    HB2  LYS  20           1HB      LYS  20  -2.379 -14.931 -21.097
  169    HB3  LYS  20           2HB      LYS  20  -2.598 -15.577 -22.719
  170    HG2  LYS  20           1HG      LYS  20  -1.568 -13.600 -23.197
  171    HG3  LYS  20           2HG      LYS  20  -3.259 -13.098 -23.273
  172    HD2  LYS  20           1HD      LYS  20  -2.055 -11.465 -22.001
  173    HD3  LYS  20           2HD      LYS  20  -3.075 -12.380 -20.888
  174    HE2  LYS  20           1HE      LYS  20  -0.773 -11.969 -20.042
  175    HE3  LYS  20           2HE      LYS  20  -1.203 -13.675 -20.140
  176    HZ1  LYS  20           3HZ      LYS  20   0.179 -12.421 -22.407
  177    HZ2  LYS  20           1HZ      LYS  20   0.217 -14.029 -21.881
  178    HZ3  LYS  20           2HZ      LYS  20   1.075 -12.842 -21.035
  179    H    LYS  21           H        LYS  21  -5.145 -15.866 -19.566
  180    HA   LYS  21           HA       LYS  21  -4.720 -18.617 -20.064
  181    HB2  LYS  21           1HB      LYS  21  -6.558 -17.412 -17.992
  182    HB3  LYS  21           2HB      LYS  21  -5.811 -19.003 -17.949
  183    HG2  LYS  21           1HG      LYS  21  -3.626 -18.019 -17.685
  184    HG3  LYS  21           2HG      LYS  21  -4.303 -16.398 -17.860
  185    HD2  LYS  21           1HD      LYS  21  -5.804 -17.149 -15.842
  186    HD3  LYS  21           2HD      LYS  21  -4.500 -18.308 -15.574
  187    HE2  LYS  21           1HE      LYS  21  -2.993 -16.691 -15.014
  188    HE3  LYS  21           2HE      LYS  21  -3.747 -15.477 -16.046
  189    HZ1  LYS  21           3HZ      LYS  21  -5.491 -15.191 -14.450
  190    HZ2  LYS  21           1HZ      LYS  21  -4.008 -15.026 -13.653
  191    HZ3  LYS  21           2HZ      LYS  21  -4.901 -16.453 -13.491
  192    H    LYS  22           H        LYS  22  -7.599 -16.569 -20.198
  193    HA   LYS  22           HA       LYS  22  -9.468 -18.622 -20.678
  194    HB2  LYS  22           1HB      LYS  22 -10.120 -16.363 -19.976
  195    HB3  LYS  22           2HB      LYS  22  -9.558 -15.716 -21.512
  196    HG2  LYS  22           1HG      LYS  22 -11.987 -15.949 -21.452
  197    HG3  LYS  22           2HG      LYS  22 -11.262 -16.970 -22.696
  198    HD2  LYS  22           1HD      LYS  22 -12.982 -18.205 -21.525
  199    HD3  LYS  22           2HD      LYS  22 -11.399 -18.893 -21.151
  200    HE2  LYS  22           1HE      LYS  22 -12.862 -18.688 -19.168
  201    HE3  LYS  22           2HE      LYS  22 -11.364 -17.770 -19.019
  202    HZ1  LYS  22           3HZ      LYS  22 -13.678 -16.720 -18.421
  203    HZ2  LYS  22           1HZ      LYS  22 -13.719 -16.395 -20.080
  204    HZ3  LYS  22           2HZ      LYS  22 -12.455 -15.793 -19.133
  205    H    GLN  23           H        GLN  23  -7.084 -17.190 -22.679
  206    HA   GLN  23           HA       GLN  23  -8.352 -17.782 -25.187
  207    HB2  GLN  23           1HB      GLN  23  -5.430 -17.221 -24.667
  208    HB3  GLN  23           2HB      GLN  23  -6.279 -17.083 -26.201
  209    HG2  GLN  23           1HG      GLN  23  -6.974 -15.426 -23.796
  210    HG3  GLN  23           2HG      GLN  23  -5.788 -14.928 -25.001
  211   HE21  GLN  23          2HE2      GLN  23  -8.914 -14.628 -24.089
  212   HE22  GLN  23          1HE2      GLN  23  -9.624 -14.190 -25.602
  213    H    GLU  24           H        GLU  24  -5.835 -19.278 -23.197
  214    HA   GLU  24           HA       GLU  24  -5.431 -21.438 -25.060
  215    HB2  GLU  24           1HB      GLU  24  -3.908 -22.336 -23.366
  216    HB3  GLU  24           2HB      GLU  24  -3.579 -20.638 -23.678
  217    HG2  GLU  24           1HG      GLU  24  -4.669 -19.991 -21.645
  218    HG3  GLU  24           2HG      GLU  24  -5.207 -21.645 -21.359
  219    H    GLN  25           H        GLN  25  -7.890 -20.738 -23.028
  220    HA   GLN  25           HA       GLN  25  -8.324 -23.334 -21.864
  221    HB2  GLN  25           1HB      GLN  25  -9.736 -20.721 -21.873
  222    HB3  GLN  25           2HB      GLN  25 -10.711 -22.153 -21.573
  223    HG2  GLN  25           1HG      GLN  25  -8.862 -22.713 -19.831
  224    HG3  GLN  25           2HG      GLN  25  -8.505 -20.990 -19.942
  225   HE21  GLN  25          2HE2      GLN  25 -11.267 -23.183 -19.559
  226   HE22  GLN  25          1HE2      GLN  25 -12.102 -22.207 -18.404
  227    HA   PRO  26           HA       PRO  26 -10.611 -25.309 -25.043
  228    HB2  PRO  26           1HB      PRO  26 -12.579 -26.566 -23.658
  229    HB3  PRO  26           2HB      PRO  26 -10.889 -27.085 -23.611
  230    HG2  PRO  26           1HG      PRO  26 -12.418 -25.426 -21.642
  231    HG3  PRO  26           2HG      PRO  26 -11.274 -26.747 -21.342
  232    HD2  PRO  26           1HD      PRO  26 -10.580 -24.140 -21.115
  233    HD3  PRO  26           2HD      PRO  26  -9.434 -25.390 -21.639
  Start of MODEL   10
    1    H1   VAL   1           H        VAL   1   2.394  -0.786   0.263
    2    HA   VAL   1           HA       VAL   1   1.978   0.475  -2.222
    3    HB   VAL   1           HB       VAL   1   4.443  -1.041  -1.356
    4   HG11  VAL   1          1HG1      VAL   1   5.394   0.966  -2.808
    5   HG12  VAL   1          2HG1      VAL   1   4.893  -0.560  -3.537
    6   HG13  VAL   1          3HG1      VAL   1   3.809   0.831  -3.570
    7   HG21  VAL   1          3HG2      VAL   1   4.506   0.443   0.323
    8   HG22  VAL   1          1HG2      VAL   1   4.959   1.608  -0.921
    9   HG23  VAL   1          2HG2      VAL   1   3.276   1.470  -0.413
   10    H    SER   2           H        SER   2   2.398  -2.890  -1.312
   11    HA   SER   2           HA       SER   2   2.634  -3.808  -4.033
   12    HB2  SER   2           1HB      SER   2   3.650  -4.944  -1.986
   13    HB3  SER   2           2HB      SER   2   2.021  -5.510  -1.615
   14    HG   SER   2           HG       SER   2   3.587  -6.081  -3.906
   15    H    VAL   3           H        VAL   3   0.083  -3.060  -1.880
   16    HA   VAL   3           HA       VAL   3  -1.879  -4.770  -3.130
   17    HB   VAL   3           HB       VAL   3  -2.305  -2.474  -1.212
   18   HG11  VAL   3          1HG1      VAL   3  -4.388  -4.065  -0.781
   19   HG12  VAL   3          2HG1      VAL   3  -4.410  -2.804  -2.015
   20   HG13  VAL   3          3HG1      VAL   3  -4.094  -4.479  -2.469
   21   HG21  VAL   3          3HG2      VAL   3  -1.701  -5.375  -0.788
   22   HG22  VAL   3          1HG2      VAL   3  -1.019  -3.961   0.016
   23   HG23  VAL   3          2HG2      VAL   3  -2.662  -4.482   0.390
   24    H    ASP   4           H        ASP   4  -0.566  -1.656  -3.676
   25    HA   ASP   4           HA       ASP   4  -2.755  -0.374  -4.896
   26    HB2  ASP   4           1HB      ASP   4  -1.065   1.120  -4.448
   27    HB3  ASP   4           2HB      ASP   4   0.203  -0.008  -4.920
   28    HA   PRO   5           HA       PRO   5  -0.958  -2.078  -9.061
   29    HB2  PRO   5           1HB      PRO   5   0.793  -4.144  -8.873
   30    HB3  PRO   5           2HB      PRO   5   1.302  -2.451  -8.884
   31    HG2  PRO   5           1HG      PRO   5   0.946  -4.308  -6.563
   32    HG3  PRO   5           2HG      PRO   5   2.249  -3.147  -6.878
   33    HD2  PRO   5           1HD      PRO   5   0.213  -2.624  -5.172
   34    HD3  PRO   5           2HD      PRO   5   1.005  -1.356  -6.130
   35    H    PHE   6           H        PHE   6  -2.107  -3.792  -6.396
   36    HA   PHE   6           HA       PHE   6  -3.073  -6.007  -8.072
   37    HB2  PHE   6           1HB      PHE   6  -2.278  -5.788  -5.241
   38    HB3  PHE   6           2HB      PHE   6  -3.733  -6.735  -5.531
   39    HD1  PHE   6           HD2      PHE   6  -3.639  -8.769  -6.895
   40    HD2  PHE   6           HD1      PHE   6  -0.129  -6.569  -5.918
   41    HE1  PHE   6           HE2      PHE   6  -2.256 -10.701  -7.531
   42    HE2  PHE   6           HE1      PHE   6   1.261  -8.498  -6.554
   43    HZ   PHE   6           HZ       PHE   6   0.198 -10.568  -7.360
   44    H    TYR   7           H        TYR   7  -4.026  -3.094  -6.776
   45    HA   TYR   7           HA       TYR   7  -6.618  -3.578  -5.845
   46    HB2  TYR   7           1HB      TYR   7  -5.083  -1.247  -6.767
   47    HB3  TYR   7           2HB      TYR   7  -6.822  -1.099  -6.990
   48    HD1  TYR   7           HD1      TYR   7  -7.826  -2.563  -4.624
   49    HD2  TYR   7           HD2      TYR   7  -4.608   0.195  -4.995
   50    HE1  TYR   7           HE1      TYR   7  -8.081  -1.956  -2.254
   51    HE2  TYR   7           HE2      TYR   7  -4.853   0.809  -2.625
   52    HH   TYR   7           HH       TYR   7  -7.383   0.382  -0.868
   53    H    GLU   8           H        GLU   8  -5.495  -2.716  -9.109
   54    HA   GLU   8           HA       GLU   8  -8.060  -2.788 -10.302
   55    HB2  GLU   8           1HB      GLU   8  -5.528  -3.354 -11.815
   56    HB3  GLU   8           2HB      GLU   8  -6.967  -2.499 -12.353
   57    HG2  GLU   8           1HG      GLU   8  -6.378  -0.712 -10.668
   58    HG3  GLU   8           2HG      GLU   8  -4.824  -1.526 -10.491
   59    H    MET   9           H        MET   9  -5.863  -5.246  -9.357
   60    HA   MET   9           HA       MET   9  -6.856  -7.251 -11.174
   61    HB2  MET   9           1HB      MET   9  -5.294  -7.804  -8.664
   62    HB3  MET   9           2HB      MET   9  -5.330  -8.730 -10.159
   63    HG2  MET   9           1HG      MET   9  -4.130  -5.988  -9.848
   64    HG3  MET   9           2HG      MET   9  -3.229  -7.502  -9.840
   65    HE1  MET   9           3HE      MET   9  -2.845  -8.929 -12.649
   66    HE2  MET   9           1HE      MET   9  -1.918  -7.486 -13.057
   67    HE3  MET   9           2HE      MET   9  -1.985  -8.048 -11.386
   68    H    LEU  10           H        LEU  10  -7.104  -6.665  -7.669
   69    HA   LEU  10           HA       LEU  10  -9.006  -8.765  -7.278
   70    HB2  LEU  10           1HB      LEU  10  -8.432  -6.446  -5.446
   71    HB3  LEU  10           2HB      LEU  10  -9.139  -8.001  -5.015
   72    HG   LEU  10           HG       LEU  10  -6.397  -7.999  -6.161
   73   HD11  LEU  10          1HD1      LEU  10  -6.628  -6.128  -4.402
   74   HD12  LEU  10          2HD1      LEU  10  -5.322  -7.299  -4.229
   75   HD13  LEU  10          3HD1      LEU  10  -6.776  -7.449  -3.243
   76   HD21  LEU  10          3HD2      LEU  10  -8.093  -9.667  -4.403
   77   HD22  LEU  10          1HD2      LEU  10  -6.362  -9.661  -4.068
   78   HD23  LEU  10          2HD2      LEU  10  -6.949 -10.138  -5.661
   79    H    ALA  11           H        ALA  11  -9.182  -5.261  -7.655
   80    HA   ALA  11           HA       ALA  11 -12.017  -5.150  -7.202
   81    HB1  ALA  11           1HB      ALA  11 -10.158  -3.298  -6.930
   82    HB2  ALA  11           2HB      ALA  11 -10.589  -2.953  -8.605
   83    HB3  ALA  11           3HB      ALA  11 -11.821  -2.879  -7.345
   84    H    ALA  12           H        ALA  12 -10.114  -4.240 -10.080
   85    HA   ALA  12           HA       ALA  12 -12.384  -4.561 -11.802
   86    HB1  ALA  12           1HB      ALA  12  -9.729  -3.446 -11.990
   87    HB2  ALA  12           2HB      ALA  12 -10.116  -4.419 -13.410
   88    HB3  ALA  12           3HB      ALA  12 -11.171  -3.086 -12.939
   89    H    ARG  13           H        ARG  13 -13.118  -6.589 -12.080
   90    HA   ARG  13           HA       ARG  13 -11.370  -8.860 -12.216
   91    HB2  ARG  13           1HB      ARG  13 -13.247 -10.108 -12.000
   92    HB3  ARG  13           2HB      ARG  13 -13.958  -8.575 -11.515
   93    HG2  ARG  13           1HG      ARG  13 -14.040  -9.747 -14.287
   94    HG3  ARG  13           2HG      ARG  13 -15.362  -9.759 -13.118
   95    HD2  ARG  13           1HD      ARG  13 -14.365  -7.090 -13.426
   96    HD3  ARG  13           2HD      ARG  13 -14.736  -7.770 -15.010
   97    HE   ARG  13           HE       ARG  13 -16.976  -7.808 -14.450
   98   HH11  ARG  13          1HH1      ARG  13 -15.048  -7.003 -11.665
   99   HH12  ARG  13          2HH1      ARG  13 -16.405  -6.513 -10.705
  100   HH21  ARG  13          1HH2      ARG  13 -18.770  -7.165 -13.196
  101   HH22  ARG  13          2HH2      ARG  13 -18.521  -6.607 -11.576
  102    H    LYS  14           H        LYS  14 -12.108  -6.494 -14.397
  103    HA   LYS  14           HA       LYS  14 -12.390  -8.057 -16.777
  104    HB2  LYS  14           1HB      LYS  14 -12.026  -5.900 -17.946
  105    HB3  LYS  14           2HB      LYS  14 -13.283  -5.810 -16.719
  106    HG2  LYS  14           1HG      LYS  14 -10.759  -5.122 -15.559
  107    HG3  LYS  14           2HG      LYS  14 -11.034  -4.160 -17.013
  108    HD2  LYS  14           1HD      LYS  14 -13.154  -4.490 -14.910
  109    HD3  LYS  14           2HD      LYS  14 -11.914  -3.240 -14.789
  110    HE2  LYS  14           1HE      LYS  14 -13.518  -2.056 -15.891
  111    HE3  LYS  14           2HE      LYS  14 -12.686  -2.759 -17.278
  112    HZ1  LYS  14           3HZ      LYS  14 -14.972  -4.148 -16.036
  113    HZ2  LYS  14           1HZ      LYS  14 -14.363  -4.298 -17.608
  114    HZ3  LYS  14           2HZ      LYS  14 -15.227  -2.913 -17.163
  115    H    LYS  15           H        LYS  15  -9.770  -7.241 -14.794
  116    HA   LYS  15           HA       LYS  15  -7.712  -7.087 -16.747
  117    HB2  LYS  15           1HB      LYS  15  -7.800  -6.511 -14.130
  118    HB3  LYS  15           2HB      LYS  15  -7.086  -8.115 -14.030
  119    HG2  LYS  15           1HG      LYS  15  -5.103  -7.300 -14.566
  120    HG3  LYS  15           2HG      LYS  15  -5.749  -6.631 -16.066
  121    HD2  LYS  15           1HD      LYS  15  -6.149  -5.234 -13.442
  122    HD3  LYS  15           2HD      LYS  15  -4.663  -5.023 -14.371
  123    HE2  LYS  15           1HE      LYS  15  -7.459  -4.488 -15.372
  124    HE3  LYS  15           2HE      LYS  15  -6.305  -3.262 -14.849
  125    HZ1  LYS  15           3HZ      LYS  15  -5.806  -3.212 -17.023
  126    HZ2  LYS  15           1HZ      LYS  15  -6.419  -4.759 -17.327
  127    HZ3  LYS  15           2HZ      LYS  15  -4.870  -4.577 -16.672
  128    H    ARG  16           H        ARG  16  -8.632  -9.712 -14.510
  129    HA   ARG  16           HA       ARG  16  -6.906 -11.644 -15.565
  130    HB2  ARG  16           1HB      ARG  16  -8.570 -13.283 -14.537
  131    HB3  ARG  16           2HB      ARG  16  -7.843 -12.104 -13.454
  132    HG2  ARG  16           1HG      ARG  16  -9.838 -10.766 -13.483
  133    HG3  ARG  16           2HG      ARG  16 -10.563 -11.810 -14.707
  134    HD2  ARG  16           1HD      ARG  16 -11.132 -12.084 -12.144
  135    HD3  ARG  16           2HD      ARG  16 -11.012 -13.479 -13.216
  136    HE   ARG  16           HE       ARG  16  -9.267 -14.196 -11.948
  137   HH11  ARG  16          1HH1      ARG  16  -9.528 -10.742 -11.594
  138   HH12  ARG  16          2HH1      ARG  16  -8.248 -10.634 -10.431
  139   HH21  ARG  16          1HH2      ARG  16  -7.580 -14.066 -10.419
  140   HH22  ARG  16          2HH2      ARG  16  -7.139 -12.525  -9.765
  141    H    ILE  17           H        ILE  17  -9.826 -10.348 -16.799
  142    HA   ILE  17           HA       ILE  17 -10.467 -12.604 -18.479
  143    HB   ILE  17           HB       ILE  17 -11.547  -9.784 -18.508
  144   HG12  ILE  17          1HG1      ILE  17 -12.827 -12.308 -17.447
  145   HG13  ILE  17          2HG1      ILE  17 -11.968 -11.152 -16.435
  146   HG21  ILE  17          1HG2      ILE  17 -13.378 -10.729 -19.856
  147   HG22  ILE  17          2HG2      ILE  17 -11.819 -10.830 -20.674
  148   HG23  ILE  17          3HG2      ILE  17 -12.514 -12.266 -19.921
  149   HD11  ILE  17          3HD1      ILE  17 -14.125 -10.467 -16.150
  150   HD12  ILE  17          1HD1      ILE  17 -13.639  -9.447 -17.504
  151   HD13  ILE  17          2HD1      ILE  17 -14.598 -10.899 -17.793
  152    H    SER  18           H        SER  18  -9.039  -9.390 -18.904
  153    HA   SER  18           HA       SER  18  -8.640  -9.774 -21.731
  154    HB2  SER  18           1HB      SER  18  -7.726  -7.581 -21.749
  155    HB3  SER  18           2HB      SER  18  -9.040  -7.535 -20.575
  156    HG   SER  18           HG       SER  18  -7.109  -8.154 -19.091
  157    H    VAL  19           H        VAL  19  -6.924 -10.493 -18.855
  158    HA   VAL  19           HA       VAL  19  -4.269 -10.397 -19.736
  159    HB   VAL  19           HB       VAL  19  -5.162 -10.822 -17.362
  160   HG11  VAL  19          1HG1      VAL  19  -4.773 -13.710 -17.847
  161   HG12  VAL  19          2HG1      VAL  19  -5.839 -12.881 -16.711
  162   HG13  VAL  19          3HG1      VAL  19  -6.293 -13.015 -18.411
  163   HG21  VAL  19          3HG2      VAL  19  -2.713 -11.359 -18.610
  164   HG22  VAL  19          1HG2      VAL  19  -3.006 -11.090 -16.892
  165   HG23  VAL  19          2HG2      VAL  19  -3.017 -12.729 -17.542
  166    H    LYS  20           H        LYS  20  -2.899 -11.927 -20.635
  167    HA   LYS  20           HA       LYS  20  -4.062 -13.671 -22.552
  168    HB2  LYS  20           1HB      LYS  20  -1.189 -13.607 -21.615
  169    HB3  LYS  20           2HB      LYS  20  -1.788 -14.269 -23.130
  170    HG2  LYS  20           1HG      LYS  20  -1.955 -11.366 -22.349
  171    HG3  LYS  20           2HG      LYS  20  -0.698 -12.066 -23.373
  172    HD2  LYS  20           1HD      LYS  20  -3.583 -12.449 -24.067
  173    HD3  LYS  20           2HD      LYS  20  -2.773 -10.932 -24.463
  174    HE2  LYS  20           1HE      LYS  20  -1.712 -13.637 -25.254
  175    HE3  LYS  20           2HE      LYS  20  -2.775 -12.675 -26.281
  176    HZ1  LYS  20           3HZ      LYS  20  -0.658 -12.124 -27.003
  177    HZ2  LYS  20           1HZ      LYS  20  -0.005 -12.100 -25.443
  178    HZ3  LYS  20           2HZ      LYS  20  -1.028 -10.853 -25.950
  179    H    LYS  21           H        LYS  21  -3.172 -14.045 -19.266
  180    HA   LYS  21           HA       LYS  21  -2.558 -16.781 -19.174
  181    HB2  LYS  21           1HB      LYS  21  -2.452 -14.899 -17.339
  182    HB3  LYS  21           2HB      LYS  21  -4.070 -15.468 -16.949
  183    HG2  LYS  21           1HG      LYS  21  -3.185 -17.725 -16.603
  184    HG3  LYS  21           2HG      LYS  21  -1.562 -17.137 -16.971
  185    HD2  LYS  21           1HD      LYS  21  -3.248 -15.978 -14.765
  186    HD3  LYS  21           2HD      LYS  21  -2.162 -17.346 -14.514
  187    HE2  LYS  21           1HE      LYS  21  -0.278 -15.988 -15.280
  188    HE3  LYS  21           2HE      LYS  21  -1.363 -14.623 -15.541
  189    HZ1  LYS  21           3HZ      LYS  21  -0.106 -14.571 -13.408
  190    HZ2  LYS  21           1HZ      LYS  21  -0.984 -15.926 -12.904
  191    HZ3  LYS  21           2HZ      LYS  21  -1.785 -14.472 -13.226
  192    H    LYS  22           H        LYS  22  -5.647 -15.074 -19.040
  193    HA   LYS  22           HA       LYS  22  -7.196 -17.428 -18.554
  194    HB2  LYS  22           1HB      LYS  22  -8.066 -15.288 -17.860
  195    HB3  LYS  22           2HB      LYS  22  -7.964 -14.664 -19.502
  196    HG2  LYS  22           1HG      LYS  22  -9.617 -17.079 -19.110
  197    HG3  LYS  22           2HG      LYS  22 -10.227 -15.574 -18.418
  198    HD2  LYS  22           1HD      LYS  22  -9.376 -14.827 -20.936
  199    HD3  LYS  22           2HD      LYS  22 -10.074 -16.427 -21.198
  200    HE2  LYS  22           1HE      LYS  22 -11.635 -14.613 -19.478
  201    HE3  LYS  22           2HE      LYS  22 -11.503 -14.135 -21.169
  202    HZ1  LYS  22           3HZ      LYS  22 -13.447 -15.543 -20.718
  203    HZ2  LYS  22           1HZ      LYS  22 -12.421 -16.800 -20.236
  204    HZ3  LYS  22           2HZ      LYS  22 -12.391 -16.250 -21.835
  205    H    GLN  23           H        GLN  23  -5.809 -15.985 -21.335
  206    HA   GLN  23           HA       GLN  23  -7.645 -17.070 -23.250
  207    HB2  GLN  23           1HB      GLN  23  -4.816 -16.150 -23.755
  208    HB3  GLN  23           2HB      GLN  23  -6.129 -16.262 -24.920
  209    HG2  GLN  23           1HG      GLN  23  -6.143 -14.408 -22.553
  210    HG3  GLN  23           2HG      GLN  23  -5.586 -13.952 -24.162
  211   HE21  GLN  23          2HE2      GLN  23  -7.058 -12.688 -25.039
  212   HE22  GLN  23          1HE2      GLN  23  -8.762 -12.970 -25.052
  213    H    GLU  24           H        GLU  24  -4.308 -17.882 -22.299
  214    HA   GLU  24           HA       GLU  24  -4.132 -20.199 -23.903
  215    HB2  GLU  24           1HB      GLU  24  -2.597 -19.221 -21.509
  216    HB3  GLU  24           2HB      GLU  24  -2.251 -20.783 -22.237
  217    HG2  GLU  24           1HG      GLU  24  -1.892 -19.601 -24.407
  218    HG3  GLU  24           2HG      GLU  24  -2.032 -18.079 -23.530
  219    H    GLN  25           H        GLN  25  -5.130 -19.674 -20.561
  220    HA   GLN  25           HA       GLN  25  -5.313 -22.386 -19.814
  221    HB2  GLN  25           1HB      GLN  25  -6.387 -19.815 -18.760
  222    HB3  GLN  25           2HB      GLN  25  -7.108 -21.308 -18.176
  223    HG2  GLN  25           1HG      GLN  25  -4.941 -22.086 -17.415
  224    HG3  GLN  25           2HG      GLN  25  -4.178 -20.631 -18.053
  225   HE21  GLN  25          2HE2      GLN  25  -3.521 -20.795 -15.656
  226   HE22  GLN  25          1HE2      GLN  25  -4.494 -19.882 -14.559
  227    HA   PRO  26           HA       PRO  26  -9.025 -23.846 -21.636
  228    HB2  PRO  26           1HB      PRO  26 -10.129 -25.309 -19.632
  229    HB3  PRO  26           2HB      PRO  26  -8.687 -25.824 -20.516
  230    HG2  PRO  26           1HG      PRO  26  -8.896 -24.496 -17.841
  231    HG3  PRO  26           2HG      PRO  26  -7.860 -25.845 -18.343
  232    HD2  PRO  26           1HD      PRO  26  -6.947 -23.304 -18.145
  233    HD3  PRO  26           2HD      PRO  26  -6.317 -24.455 -19.341
  Start of MODEL   11
    1    H1   VAL   1           H        VAL   1   2.408  -1.247   0.720
    2    HA   VAL   1           HA       VAL   1   1.687   0.200  -1.578
    3    HB   VAL   1           HB       VAL   1   4.364  -1.064  -0.974
    4   HG11  VAL   1          1HG1      VAL   1   4.932   1.197  -2.307
    5   HG12  VAL   1          2HG1      VAL   1   4.718  -0.367  -3.097
    6   HG13  VAL   1          3HG1      VAL   1   3.387   0.790  -3.054
    7   HG21  VAL   1          3HG2      VAL   1   4.615   0.410   0.668
    8   HG22  VAL   1          1HG2      VAL   1   4.283   1.734  -0.449
    9   HG23  VAL   1          2HG2      VAL   1   2.957   0.959   0.419
   10    H    SER   2           H        SER   2   2.274  -3.175  -1.061
   11    HA   SER   2           HA       SER   2   2.678  -3.803  -3.843
   12    HB2  SER   2           1HB      SER   2   2.748  -6.109  -3.132
   13    HB3  SER   2           2HB      SER   2   3.661  -5.148  -1.969
   14    HG   SER   2           HG       SER   2   2.356  -5.865  -0.503
   15    H    VAL   3           H        VAL   3  -0.004  -3.334  -1.770
   16    HA   VAL   3           HA       VAL   3  -1.852  -4.940  -3.301
   17    HB   VAL   3           HB       VAL   3  -3.590  -3.846  -1.868
   18   HG11  VAL   3          1HG1      VAL   3  -2.438  -5.974  -1.275
   19   HG12  VAL   3          2HG1      VAL   3  -1.308  -5.035  -0.297
   20   HG13  VAL   3          3HG1      VAL   3  -3.023  -5.063   0.117
   21   HG21  VAL   3          3HG2      VAL   3  -1.234  -2.622  -0.438
   22   HG22  VAL   3          1HG2      VAL   3  -2.307  -1.737  -1.523
   23   HG23  VAL   3          2HG2      VAL   3  -2.942  -2.441  -0.035
   24    H    ASP   4           H        ASP   4  -0.598  -1.753  -3.434
   25    HA   ASP   4           HA       ASP   4  -2.742  -0.392  -4.639
   26    HB2  ASP   4           1HB      ASP   4  -1.110   1.075  -3.955
   27    HB3  ASP   4           2HB      ASP   4   0.204   0.020  -4.468
   28    HA   PRO   5           HA       PRO   5  -0.706  -1.627  -8.858
   29    HB2  PRO   5           1HB      PRO   5   1.081  -3.669  -8.793
   30    HB3  PRO   5           2HB      PRO   5   1.551  -1.976  -8.605
   31    HG2  PRO   5           1HG      PRO   5   1.125  -4.068  -6.507
   32    HG3  PRO   5           2HG      PRO   5   2.414  -2.858  -6.634
   33    HD2  PRO   5           1HD      PRO   5   0.285  -2.550  -4.990
   34    HD3  PRO   5           2HD      PRO   5   1.095  -1.176  -5.772
   35    H    PHE   6           H        PHE   6  -1.946  -3.625  -6.444
   36    HA   PHE   6           HA       PHE   6  -2.803  -5.652  -8.398
   37    HB2  PHE   6           1HB      PHE   6  -2.097  -5.767  -5.532
   38    HB3  PHE   6           2HB      PHE   6  -3.499  -6.722  -6.003
   39    HD1  PHE   6           HD1      PHE   6  -3.263  -8.525  -7.668
   40    HD2  PHE   6           HD2      PHE   6   0.102  -6.400  -6.158
   41    HE1  PHE   6           HE1      PHE   6  -1.775 -10.305  -8.489
   42    HE2  PHE   6           HE2      PHE   6   1.595  -8.176  -6.978
   43    HZ   PHE   6           HZ       PHE   6   0.658 -10.130  -8.146
   44    H    TYR   7           H        TYR   7  -3.850  -2.926  -6.835
   45    HA   TYR   7           HA       TYR   7  -6.438  -3.550  -5.986
   46    HB2  TYR   7           1HB      TYR   7  -4.939  -1.121  -6.654
   47    HB3  TYR   7           2HB      TYR   7  -6.670  -0.980  -6.944
   48    HD1  TYR   7           HD1      TYR   7  -7.736  -2.671  -4.753
   49    HD2  TYR   7           HD2      TYR   7  -4.588   0.192  -4.753
   50    HE1  TYR   7           HE1      TYR   7  -8.108  -2.271  -2.355
   51    HE2  TYR   7           HE2      TYR   7  -4.951   0.600  -2.355
   52    HH   TYR   7           HH       TYR   7  -7.587  -0.116  -0.747
   53    H    GLU   8           H        GLU   8  -5.411  -2.171  -9.113
   54    HA   GLU   8           HA       GLU   8  -7.921  -2.260 -10.343
   55    HB2  GLU   8           1HB      GLU   8  -6.770  -1.926 -12.417
   56    HB3  GLU   8           2HB      GLU   8  -5.919  -1.013 -11.178
   57    HG2  GLU   8           1HG      GLU   8  -4.499  -3.247 -11.045
   58    HG3  GLU   8           2HG      GLU   8  -5.062  -3.399 -12.708
   59    H    MET   9           H        MET   9  -5.701  -4.769  -9.609
   60    HA   MET   9           HA       MET   9  -6.670  -6.612 -11.603
   61    HB2  MET   9           1HB      MET   9  -5.100  -7.387  -9.161
   62    HB3  MET   9           2HB      MET   9  -5.115  -8.150 -10.745
   63    HG2  MET   9           1HG      MET   9  -3.952  -5.445 -10.123
   64    HG3  MET   9           2HG      MET   9  -3.036  -6.939 -10.306
   65    HE1  MET   9           3HE      MET   9  -1.552  -5.480 -12.059
   66    HE2  MET   9           1HE      MET   9  -1.702  -7.209 -12.378
   67    HE3  MET   9           2HE      MET   9  -1.829  -6.054 -13.705
   68    H    LEU  10           H        LEU  10  -6.705  -6.685  -8.033
   69    HA   LEU  10           HA       LEU  10  -8.621  -8.729  -7.832
   70    HB2  LEU  10           1HB      LEU  10  -8.140  -6.556  -5.806
   71    HB3  LEU  10           2HB      LEU  10  -8.765  -8.177  -5.514
   72    HG   LEU  10           HG       LEU  10  -6.040  -7.955  -6.668
   73   HD11  LEU  10          1HD1      LEU  10  -4.973  -7.260  -4.762
   74   HD12  LEU  10          2HD1      LEU  10  -6.324  -7.690  -3.714
   75   HD13  LEU  10          3HD1      LEU  10  -6.414  -6.244  -4.720
   76   HD21  LEU  10          3HD2      LEU  10  -6.855 -10.144  -6.316
   77   HD22  LEU  10          1HD2      LEU  10  -7.454  -9.743  -4.706
   78   HD23  LEU  10          2HD2      LEU  10  -5.718  -9.833  -5.004
   79    H    ALA  11           H        ALA  11  -8.951  -5.201  -7.751
   80    HA   ALA  11           HA       ALA  11 -11.704  -5.106  -7.203
   81    HB1  ALA  11           1HB      ALA  11  -9.927  -3.221  -7.204
   82    HB2  ALA  11           2HB      ALA  11 -10.364  -3.042  -8.904
   83    HB3  ALA  11           3HB      ALA  11 -11.589  -2.838  -7.652
   84    H    ALA  12           H        ALA  12 -10.191  -4.369 -10.349
   85    HA   ALA  12           HA       ALA  12 -12.549  -4.601 -11.838
   86    HB1  ALA  12           1HB      ALA  12  -9.931  -5.230 -13.109
   87    HB2  ALA  12           2HB      ALA  12 -11.260  -4.228 -13.695
   88    HB3  ALA  12           3HB      ALA  12 -10.186  -3.620 -12.434
   89    H    ARG  13           H        ARG  13 -13.707  -6.306 -12.438
   90    HA   ARG  13           HA       ARG  13 -12.775  -8.971 -11.870
   91    HB2  ARG  13           1HB      ARG  13 -15.350  -7.812 -12.894
   92    HB3  ARG  13           2HB      ARG  13 -15.067  -9.547 -12.936
   93    HG2  ARG  13           1HG      ARG  13 -15.558  -9.751 -10.785
   94    HG3  ARG  13           2HG      ARG  13 -14.429  -8.468 -10.343
   95    HD2  ARG  13           1HD      ARG  13 -16.810  -7.427 -11.627
   96    HD3  ARG  13           2HD      ARG  13 -17.199  -8.374 -10.191
   97    HE   ARG  13           HE       ARG  13 -16.174  -5.780 -10.200
   98   HH11  ARG  13          1HH1      ARG  13 -15.562  -8.842  -8.661
   99   HH12  ARG  13          2HH1      ARG  13 -14.920  -8.135  -7.215
  100   HH21  ARG  13          1HH2      ARG  13 -15.331  -4.837  -8.302
  101   HH22  ARG  13          2HH2      ARG  13 -14.790  -5.857  -7.012
  102    H    LYS  14           H        LYS  14 -12.181  -6.949 -14.357
  103    HA   LYS  14           HA       LYS  14 -12.531  -8.769 -16.564
  104    HB2  LYS  14           1HB      LYS  14 -10.856  -6.262 -16.554
  105    HB3  LYS  14           2HB      LYS  14 -11.616  -7.050 -17.930
  106    HG2  LYS  14           1HG      LYS  14 -13.827  -6.472 -16.997
  107    HG3  LYS  14           2HG      LYS  14 -13.017  -5.603 -15.692
  108    HD2  LYS  14           1HD      LYS  14 -12.357  -4.949 -18.531
  109    HD3  LYS  14           2HD      LYS  14 -13.844  -4.322 -17.816
  110    HE2  LYS  14           1HE      LYS  14 -12.455  -3.410 -15.945
  111    HE3  LYS  14           2HE      LYS  14 -11.021  -3.887 -16.852
  112    HZ1  LYS  14           3HZ      LYS  14 -11.199  -2.111 -18.154
  113    HZ2  LYS  14           1HZ      LYS  14 -12.343  -1.511 -17.062
  114    HZ3  LYS  14           2HZ      LYS  14 -12.848  -2.361 -18.434
  115    H    LYS  15           H        LYS  15 -10.441  -8.769 -14.063
  116    HA   LYS  15           HA       LYS  15  -7.959  -9.247 -15.399
  117    HB2  LYS  15           1HB      LYS  15  -8.859  -8.939 -12.710
  118    HB3  LYS  15           2HB      LYS  15  -7.970 -10.453 -12.818
  119    HG2  LYS  15           1HG      LYS  15  -6.926  -7.788 -13.752
  120    HG3  LYS  15           2HG      LYS  15  -6.566  -8.521 -12.187
  121    HD2  LYS  15           1HD      LYS  15  -6.086 -10.193 -14.582
  122    HD3  LYS  15           2HD      LYS  15  -5.000  -8.822 -14.342
  123    HE2  LYS  15           1HE      LYS  15  -5.212  -9.985 -11.830
  124    HE3  LYS  15           2HE      LYS  15  -5.135 -11.355 -12.938
  125    HZ1  LYS  15           3HZ      LYS  15  -2.944 -11.029 -12.855
  126    HZ2  LYS  15           1HZ      LYS  15  -3.088  -9.473 -12.206
  127    HZ3  LYS  15           2HZ      LYS  15  -3.209  -9.707 -13.877
  128    H    ARG  16           H        ARG  16 -10.116 -11.415 -13.556
  129    HA   ARG  16           HA       ARG  16  -8.845 -13.797 -14.291
  130    HB2  ARG  16           1HB      ARG  16 -11.052 -14.868 -13.677
  131    HB3  ARG  16           2HB      ARG  16 -10.330 -13.849 -12.439
  132    HG2  ARG  16           1HG      ARG  16 -11.840 -12.030 -13.048
  133    HG3  ARG  16           2HG      ARG  16 -12.560 -13.048 -14.297
  134    HD2  ARG  16           1HD      ARG  16 -13.844 -12.925 -12.142
  135    HD3  ARG  16           2HD      ARG  16 -13.437 -14.553 -12.683
  136    HE   ARG  16           HE       ARG  16 -12.342 -13.151 -10.374
  137   HH11  ARG  16          1HH1      ARG  16 -12.298 -15.944 -12.452
  138   HH12  ARG  16          2HH1      ARG  16 -11.446 -16.937 -11.317
  139   HH21  ARG  16          1HH2      ARG  16 -11.220 -14.448  -8.871
  140   HH22  ARG  16          2HH2      ARG  16 -10.834 -16.085  -9.280
  141    H    ILE  17           H        ILE  17 -10.918 -11.729 -16.069
  142    HA   ILE  17           HA       ILE  17 -11.821 -13.734 -17.934
  143    HB   ILE  17           HB       ILE  17 -11.932 -10.731 -18.226
  144   HG12  ILE  17          1HG1      ILE  17 -13.058 -11.390 -16.172
  145   HG13  ILE  17          2HG1      ILE  17 -14.253 -10.941 -17.383
  146   HG21  ILE  17          1HG2      ILE  17 -12.245 -12.153 -20.275
  147   HG22  ILE  17          2HG2      ILE  17 -13.681 -12.822 -19.501
  148   HG23  ILE  17          3HG2      ILE  17 -13.602 -11.100 -19.874
  149   HD11  ILE  17          3HD1      ILE  17 -14.703 -13.277 -17.835
  150   HD12  ILE  17          1HD1      ILE  17 -13.462 -13.757 -16.678
  151   HD13  ILE  17          2HD1      ILE  17 -14.913 -12.923 -16.120
  152    H    SER  18           H        SER  18  -9.366 -11.197 -17.855
  153    HA   SER  18           HA       SER  18  -8.526 -11.695 -20.567
  154    HB2  SER  18           1HB      SER  18  -8.388  -9.460 -19.284
  155    HB3  SER  18           2HB      SER  18  -6.952 -10.141 -18.521
  156    HG   SER  18           HG       SER  18  -6.468 -10.599 -20.951
  157    H    VAL  19           H        VAL  19  -8.204 -13.465 -17.871
  158    HA   VAL  19           HA       VAL  19  -5.488 -14.092 -17.662
  159    HB   VAL  19           HB       VAL  19  -7.356 -14.807 -16.099
  160   HG11  VAL  19          1HG1      VAL  19  -8.717 -16.594 -16.561
  161   HG12  VAL  19          2HG1      VAL  19  -8.572 -15.879 -18.168
  162   HG13  VAL  19          3HG1      VAL  19  -7.598 -17.284 -17.736
  163   HG21  VAL  19          3HG2      VAL  19  -5.796 -16.089 -15.166
  164   HG22  VAL  19          1HG2      VAL  19  -5.956 -17.302 -16.436
  165   HG23  VAL  19          2HG2      VAL  19  -4.862 -15.937 -16.654
  166    H    LYS  20           H        LYS  20  -4.189 -15.638 -18.604
  167    HA   LYS  20           HA       LYS  20  -4.878 -16.375 -21.302
  168    HB2  LYS  20           1HB      LYS  20  -2.419 -17.152 -19.728
  169    HB3  LYS  20           2HB      LYS  20  -2.611 -17.177 -21.476
  170    HG2  LYS  20           1HG      LYS  20  -2.645 -14.706 -19.754
  171    HG3  LYS  20           2HG      LYS  20  -1.277 -15.272 -20.715
  172    HD2  LYS  20           1HD      LYS  20  -2.663 -15.066 -22.749
  173    HD3  LYS  20           2HD      LYS  20  -3.977 -14.422 -21.762
  174    HE2  LYS  20           1HE      LYS  20  -1.246 -13.169 -21.806
  175    HE3  LYS  20           2HE      LYS  20  -2.490 -12.743 -22.980
  176    HZ1  LYS  20           3HZ      LYS  20  -3.629 -12.649 -20.428
  177    HZ2  LYS  20           1HZ      LYS  20  -3.358 -11.369 -21.500
  178    HZ3  LYS  20           2HZ      LYS  20  -2.174 -11.789 -20.368
  179    H    LYS  21           H        LYS  21  -5.249 -17.788 -18.256
  180    HA   LYS  21           HA       LYS  21  -4.851 -20.508 -18.780
  181    HB2  LYS  21           1HB      LYS  21  -5.188 -19.606 -16.522
  182    HB3  LYS  21           2HB      LYS  21  -6.856 -19.214 -16.921
  183    HG2  LYS  21           1HG      LYS  21  -7.051 -21.751 -17.443
  184    HG3  LYS  21           2HG      LYS  21  -5.600 -21.878 -16.445
  185    HD2  LYS  21           1HD      LYS  21  -7.409 -22.203 -14.970
  186    HD3  LYS  21           2HD      LYS  21  -6.872 -20.544 -14.694
  187    HE2  LYS  21           1HE      LYS  21  -9.260 -20.542 -14.784
  188    HE3  LYS  21           2HE      LYS  21  -8.661 -19.785 -16.259
  189    HZ1  LYS  21           3HZ      LYS  21 -10.459 -21.318 -16.733
  190    HZ2  LYS  21           1HZ      LYS  21  -9.607 -22.590 -16.012
  191    HZ3  LYS  21           2HZ      LYS  21  -9.020 -21.874 -17.427
  192    H    LYS  22           H        LYS  22  -7.657 -18.431 -19.308
  193    HA   LYS  22           HA       LYS  22  -9.505 -20.414 -20.014
  194    HB2  LYS  22           1HB      LYS  22 -10.843 -18.671 -20.900
  195    HB3  LYS  22           2HB      LYS  22  -9.965 -17.965 -19.550
  196    HG2  LYS  22           1HG      LYS  22  -8.293 -17.126 -21.256
  197    HG3  LYS  22           2HG      LYS  22  -9.471 -17.588 -22.487
  198    HD2  LYS  22           1HD      LYS  22 -10.237 -15.824 -20.183
  199    HD3  LYS  22           2HD      LYS  22  -9.481 -15.158 -21.632
  200    HE2  LYS  22           1HE      LYS  22 -11.316 -16.416 -22.917
  201    HE3  LYS  22           2HE      LYS  22 -12.126 -16.550 -21.357
  202    HZ1  LYS  22           3HZ      LYS  22 -12.872 -14.495 -21.596
  203    HZ2  LYS  22           1HZ      LYS  22 -12.128 -14.383 -23.112
  204    HZ3  LYS  22           2HZ      LYS  22 -11.296 -13.894 -21.723
  205    H    GLN  23           H        GLN  23  -6.771 -19.203 -21.687
  206    HA   GLN  23           HA       GLN  23  -7.624 -19.780 -24.342
  207    HB2  GLN  23           1HB      GLN  23  -4.787 -19.641 -23.314
  208    HB3  GLN  23           2HB      GLN  23  -5.324 -19.433 -24.976
  209    HG2  GLN  23           1HG      GLN  23  -6.146 -17.606 -22.737
  210    HG3  GLN  23           2HG      GLN  23  -4.728 -17.331 -23.747
  211   HE21  GLN  23          2HE2      GLN  23  -5.314 -15.572 -24.863
  212   HE22  GLN  23          1HE2      GLN  23  -6.702 -15.469 -25.886
  213    H    GLU  24           H        GLU  24  -5.165 -21.422 -22.341
  214    HA   GLU  24           HA       GLU  24  -5.017 -23.716 -23.953
  215    HB2  GLU  24           1HB      GLU  24  -4.365 -23.379 -21.021
  216    HB3  GLU  24           2HB      GLU  24  -3.903 -24.765 -21.998
  217    HG2  GLU  24           1HG      GLU  24  -1.984 -23.546 -22.086
  218    HG3  GLU  24           2HG      GLU  24  -2.809 -22.933 -23.518
  219    H    GLN  25           H        GLN  25  -6.729 -24.950 -24.393
  220    HA   GLN  25           HA       GLN  25  -9.004 -25.246 -22.791
  221    HB2  GLN  25           1HB      GLN  25  -9.429 -27.290 -24.238
  222    HB3  GLN  25           2HB      GLN  25  -9.220 -25.764 -25.087
  223    HG2  GLN  25           1HG      GLN  25  -7.199 -26.369 -25.972
  224    HG3  GLN  25           2HG      GLN  25  -6.846 -27.505 -24.671
  225   HE21  GLN  25          2HE2      GLN  25  -7.294 -29.598 -24.958
  226   HE22  GLN  25          1HE2      GLN  25  -8.117 -30.258 -26.326
  227    HA   PRO  26           HA       PRO  26  -7.960 -28.211 -19.731
  228    HB2  PRO  26           1HB      PRO  26 -10.275 -29.614 -19.520
  229    HB3  PRO  26           2HB      PRO  26 -10.096 -27.961 -18.921
  230    HG2  PRO  26           1HG      PRO  26 -11.319 -28.927 -21.477
  231    HG3  PRO  26           2HG      PRO  26 -11.899 -27.677 -20.361
  232    HD2  PRO  26           1HD      PRO  26 -10.597 -27.087 -22.661
  233    HD3  PRO  26           2HD      PRO  26 -10.464 -26.082 -21.203
  Start of MODEL   12
    1    H1   VAL   1           H        VAL   1   2.817  -0.838   0.019
    2    HA   VAL   1           HA       VAL   1   1.921   0.410  -2.353
    3    HB   VAL   1           HB       VAL   1   4.253   0.212  -3.128
    4   HG11  VAL   1          1HG1      VAL   1   3.627   2.052  -1.662
    5   HG12  VAL   1          2HG1      VAL   1   3.976   1.060  -0.245
    6   HG13  VAL   1          3HG1      VAL   1   5.280   1.531  -1.336
    7   HG21  VAL   1          3HG2      VAL   1   4.811  -1.979  -2.298
    8   HG22  VAL   1          1HG2      VAL   1   5.927  -0.803  -1.604
    9   HG23  VAL   1          2HG2      VAL   1   4.603  -1.443  -0.630
   10    H    SER   2           H        SER   2   2.476  -2.900  -1.494
   11    HA   SER   2           HA       SER   2   2.624  -3.856  -4.208
   12    HB2  SER   2           1HB      SER   2   3.691  -4.971  -2.174
   13    HB3  SER   2           2HB      SER   2   2.070  -5.523  -1.752
   14    HG   SER   2           HG       SER   2   2.207  -6.988  -3.248
   15    H    VAL   3           H        VAL   3   0.143  -3.066  -1.988
   16    HA   VAL   3           HA       VAL   3  -1.866  -4.776  -3.163
   17    HB   VAL   3           HB       VAL   3  -2.291  -2.443  -1.296
   18   HG11  VAL   3          1HG1      VAL   3  -4.205  -4.303  -0.752
   19   HG12  VAL   3          2HG1      VAL   3  -4.424  -2.909  -1.812
   20   HG13  VAL   3          3HG1      VAL   3  -4.016  -4.484  -2.496
   21   HG21  VAL   3          3HG2      VAL   3  -2.505  -4.569   0.315
   22   HG22  VAL   3          1HG2      VAL   3  -1.293  -5.184  -0.809
   23   HG23  VAL   3          2HG2      VAL   3  -0.993  -3.692   0.082
   24    H    ASP   4           H        ASP   4  -0.550  -1.678  -3.779
   25    HA   ASP   4           HA       ASP   4  -2.765  -0.388  -4.940
   26    HB2  ASP   4           1HB      ASP   4  -0.031   0.180  -4.539
   27    HB3  ASP   4           2HB      ASP   4  -0.318   0.344  -6.269
   28    HA   PRO   5           HA       PRO   5  -1.125  -2.152  -9.145
   29    HB2  PRO   5           1HB      PRO   5   0.611  -4.234  -8.994
   30    HB3  PRO   5           2HB      PRO   5   1.136  -2.547  -9.040
   31    HG2  PRO   5           1HG      PRO   5   0.840  -4.376  -6.688
   32    HG3  PRO   5           2HG      PRO   5   2.143  -3.231  -7.059
   33    HD2  PRO   5           1HD      PRO   5   0.170  -2.670  -5.291
   34    HD3  PRO   5           2HD      PRO   5   0.942  -1.421  -6.288
   35    H    PHE   6           H        PHE   6  -2.196  -3.831  -6.424
   36    HA   PHE   6           HA       PHE   6  -3.205  -6.079  -8.022
   37    HB2  PHE   6           1HB      PHE   6  -2.387  -5.761  -5.216
   38    HB3  PHE   6           2HB      PHE   6  -3.882  -6.666  -5.434
   39    HD1  PHE   6           HD1      PHE   6  -3.888  -8.771  -6.681
   40    HD2  PHE   6           HD2      PHE   6  -0.281  -6.651  -5.904
   41    HE1  PHE   6           HE1      PHE   6  -2.589 -10.784  -7.242
   42    HE2  PHE   6           HE2      PHE   6   1.025  -8.659  -6.465
   43    HZ   PHE   6           HZ       PHE   6  -0.129 -10.729  -7.136
   44    H    TYR   7           H        TYR   7  -4.141  -3.115  -6.804
   45    HA   TYR   7           HA       TYR   7  -6.746  -3.554  -5.892
   46    HB2  TYR   7           1HB      TYR   7  -5.216  -1.245  -6.928
   47    HB3  TYR   7           2HB      TYR   7  -6.968  -1.108  -7.031
   48    HD1  TYR   7           HD1      TYR   7  -7.813  -2.512  -4.580
   49    HD2  TYR   7           HD2      TYR   7  -4.608   0.213  -5.215
   50    HE1  TYR   7           HE1      TYR   7  -7.904  -1.863  -2.210
   51    HE2  TYR   7           HE2      TYR   7  -4.689   0.869  -2.846
   52    HH   TYR   7           HH       TYR   7  -5.457   0.017  -0.725
   53    H    GLU   8           H        GLU   8  -5.665  -2.593  -9.153
   54    HA   GLU   8           HA       GLU   8  -8.180  -2.712 -10.374
   55    HB2  GLU   8           1HB      GLU   8  -6.923  -2.882 -12.503
   56    HB3  GLU   8           2HB      GLU   8  -6.326  -1.603 -11.455
   57    HG2  GLU   8           1HG      GLU   8  -4.320  -2.572 -11.189
   58    HG3  GLU   8           2HG      GLU   8  -4.993  -4.200 -11.140
   59    H    MET   9           H        MET   9  -6.063  -5.212  -9.353
   60    HA   MET   9           HA       MET   9  -7.122  -7.230 -11.121
   61    HB2  MET   9           1HB      MET   9  -5.570  -7.795  -8.611
   62    HB3  MET   9           2HB      MET   9  -5.617  -8.718 -10.108
   63    HG2  MET   9           1HG      MET   9  -4.314  -6.034  -9.711
   64    HG3  MET   9           2HG      MET   9  -3.493  -7.587  -9.854
   65    HE1  MET   9           3HE      MET   9  -2.510  -7.469 -13.380
   66    HE2  MET   9           1HE      MET   9  -1.929  -6.661 -11.924
   67    HE3  MET   9           2HE      MET   9  -2.474  -8.337 -11.845
   68    H    LEU  10           H        LEU  10  -7.108  -6.934  -7.562
   69    HA   LEU  10           HA       LEU  10  -9.121  -8.842  -7.134
   70    HB2  LEU  10           1HB      LEU  10  -8.516  -6.501  -5.344
   71    HB3  LEU  10           2HB      LEU  10  -9.198  -8.060  -4.884
   72    HG   LEU  10           HG       LEU  10  -6.476  -8.031  -6.079
   73   HD11  LEU  10          1HD1      LEU  10  -6.738  -7.539  -3.153
   74   HD12  LEU  10          2HD1      LEU  10  -6.782  -6.171  -4.263
   75   HD13  LEU  10          3HD1      LEU  10  -5.376  -7.235  -4.232
   76   HD21  LEU  10          3HD2      LEU  10  -8.167  -9.766  -4.450
   77   HD22  LEU  10          1HD2      LEU  10  -6.506  -9.644  -3.868
   78   HD23  LEU  10          2HD2      LEU  10  -6.824 -10.168  -5.522
   79    H    ALA  11           H        ALA  11  -9.280  -5.309  -7.392
   80    HA   ALA  11           HA       ALA  11 -12.095  -5.170  -6.947
   81    HB1  ALA  11           1HB      ALA  11 -11.903  -2.845  -7.549
   82    HB2  ALA  11           2HB      ALA  11 -10.546  -3.290  -6.514
   83    HB3  ALA  11           3HB      ALA  11 -10.310  -3.122  -8.254
   84    H    ALA  12           H        ALA  12 -10.337  -4.183  -9.884
   85    HA   ALA  12           HA       ALA  12 -12.639  -4.595 -11.528
   86    HB1  ALA  12           1HB      ALA  12 -10.206  -4.411 -13.046
   87    HB2  ALA  12           2HB      ALA  12 -11.540  -3.263 -12.923
   88    HB3  ALA  12           3HB      ALA  12 -10.219  -3.209 -11.756
   89    H    ARG  13           H        ARG  13 -13.238  -6.346 -12.643
   90    HA   ARG  13           HA       ARG  13 -11.743  -8.791 -12.323
   91    HB2  ARG  13           1HB      ARG  13 -14.290  -8.280 -13.870
   92    HB3  ARG  13           2HB      ARG  13 -13.636  -9.854 -13.440
   93    HG2  ARG  13           1HG      ARG  13 -14.375  -9.735 -11.313
   94    HG3  ARG  13           2HG      ARG  13 -14.111  -7.994 -11.204
   95    HD2  ARG  13           1HD      ARG  13 -16.099  -7.928 -12.932
   96    HD3  ARG  13           2HD      ARG  13 -16.463  -9.504 -12.231
   97    HE   ARG  13           HE       ARG  13 -17.270  -8.420 -10.401
   98   HH11  ARG  13          1HH1      ARG  13 -15.031  -6.308 -12.030
   99   HH12  ARG  13          2HH1      ARG  13 -15.315  -4.972 -10.964
  100   HH21  ARG  13          1HH2      ARG  13 -17.651  -6.667  -8.992
  101   HH22  ARG  13          2HH2      ARG  13 -16.804  -5.177  -9.236
  102    H    LYS  14           H        LYS  14 -11.339  -6.289 -14.341
  103    HA   LYS  14           HA       LYS  14 -11.206  -7.388 -16.913
  104    HB2  LYS  14           1HB      LYS  14 -10.022  -5.028 -15.548
  105    HB3  LYS  14           2HB      LYS  14  -9.277  -5.533 -17.058
  106    HG2  LYS  14           1HG      LYS  14 -10.810  -4.091 -17.890
  107    HG3  LYS  14           2HG      LYS  14 -11.806  -5.547 -17.859
  108    HD2  LYS  14           1HD      LYS  14 -11.746  -3.876 -15.407
  109    HD3  LYS  14           2HD      LYS  14 -12.616  -3.239 -16.805
  110    HE2  LYS  14           1HE      LYS  14 -13.604  -5.706 -16.821
  111    HE3  LYS  14           2HE      LYS  14 -13.200  -5.606 -15.108
  112    HZ1  LYS  14           3HZ      LYS  14 -15.168  -4.610 -14.906
  113    HZ2  LYS  14           1HZ      LYS  14 -15.313  -4.320 -16.566
  114    HZ3  LYS  14           2HZ      LYS  14 -14.440  -3.247 -15.594
  115    H    LYS  15           H        LYS  15  -9.206  -7.861 -14.172
  116    HA   LYS  15           HA       LYS  15  -6.750  -8.471 -15.370
  117    HB2  LYS  15           1HB      LYS  15  -7.033  -8.168 -12.949
  118    HB3  LYS  15           2HB      LYS  15  -7.979  -9.649 -12.870
  119    HG2  LYS  15           1HG      LYS  15  -5.749 -10.606 -14.010
  120    HG3  LYS  15           2HG      LYS  15  -5.064  -9.267 -13.085
  121    HD2  LYS  15           1HD      LYS  15  -4.991 -10.860 -11.466
  122    HD3  LYS  15           2HD      LYS  15  -6.644 -10.303 -11.200
  123    HE2  LYS  15           1HE      LYS  15  -7.528 -12.120 -12.487
  124    HE3  LYS  15           2HE      LYS  15  -5.913 -12.611 -12.994
  125    HZ1  LYS  15           3HZ      LYS  15  -5.773 -13.884 -11.207
  126    HZ2  LYS  15           1HZ      LYS  15  -7.331 -13.426 -10.730
  127    HZ3  LYS  15           2HZ      LYS  15  -5.989 -12.547 -10.194
  128    H    ARG  16           H        ARG  16  -9.210 -10.786 -14.210
  129    HA   ARG  16           HA       ARG  16  -8.065 -13.035 -15.431
  130    HB2  ARG  16           1HB      ARG  16 -10.076 -14.188 -14.891
  131    HB3  ARG  16           2HB      ARG  16  -9.800 -13.025 -13.601
  132    HG2  ARG  16           1HG      ARG  16 -11.360 -11.609 -15.354
  133    HG3  ARG  16           2HG      ARG  16 -12.009 -13.245 -15.483
  134    HD2  ARG  16           1HD      ARG  16 -11.618 -12.862 -12.759
  135    HD3  ARG  16           2HD      ARG  16 -12.246 -11.318 -13.333
  136    HE   ARG  16           HE       ARG  16 -14.279 -12.312 -13.632
  137   HH11  ARG  16          1HH1      ARG  16 -11.837 -14.788 -13.451
  138   HH12  ARG  16          2HH1      ARG  16 -12.975 -16.094 -13.456
  139   HH21  ARG  16          1HH2      ARG  16 -15.787 -14.023 -13.639
  140   HH22  ARG  16          2HH2      ARG  16 -15.222 -15.658 -13.564
  141    H    ILE  17           H        ILE  17  -9.902 -10.457 -16.738
  142    HA   ILE  17           HA       ILE  17 -10.861 -11.902 -19.041
  143    HB   ILE  17           HB       ILE  17 -10.765  -8.926 -18.531
  144   HG12  ILE  17          1HG1      ILE  17 -13.163 -10.748 -18.361
  145   HG13  ILE  17          2HG1      ILE  17 -12.156 -10.387 -16.963
  146   HG21  ILE  17          1HG2      ILE  17 -11.325  -8.707 -20.669
  147   HG22  ILE  17          2HG2      ILE  17 -11.410 -10.456 -20.875
  148   HG23  ILE  17          3HG2      ILE  17 -12.825  -9.565 -20.314
  149   HD11  ILE  17          3HD1      ILE  17 -12.809  -7.925 -18.160
  150   HD12  ILE  17          1HD1      ILE  17 -14.292  -8.875 -18.077
  151   HD13  ILE  17          2HD1      ILE  17 -13.356  -8.569 -16.613
  152    H    SER  18           H        SER  18  -8.229  -9.666 -18.307
  153    HA   SER  18           HA       SER  18  -7.305  -9.596 -21.037
  154    HB2  SER  18           1HB      SER  18  -7.054  -7.788 -19.138
  155    HB3  SER  18           2HB      SER  18  -5.609  -8.713 -18.732
  156    HG   SER  18           HG       SER  18  -6.135  -7.828 -21.365
  157    H    VAL  19           H        VAL  19  -7.253 -11.968 -18.839
  158    HA   VAL  19           HA       VAL  19  -4.605 -12.852 -18.687
  159    HB   VAL  19           HB       VAL  19  -6.596 -13.762 -17.410
  160   HG11  VAL  19          1HG1      VAL  19  -8.029 -14.146 -19.380
  161   HG12  VAL  19          2HG1      VAL  19  -6.941 -15.436 -19.895
  162   HG13  VAL  19          3HG1      VAL  19  -7.842 -15.591 -18.386
  163   HG21  VAL  19          3HG2      VAL  19  -4.170 -14.905 -18.078
  164   HG22  VAL  19          1HG2      VAL  19  -5.250 -15.428 -16.785
  165   HG23  VAL  19          2HG2      VAL  19  -5.336 -16.196 -18.371
  166    H    LYS  20           H        LYS  20  -3.418 -14.347 -19.887
  167    HA   LYS  20           HA       LYS  20  -3.960 -14.307 -22.722
  168    HB2  LYS  20           1HB      LYS  20  -1.781 -15.717 -22.725
  169    HB3  LYS  20           2HB      LYS  20  -1.695 -14.017 -22.285
  170    HG2  LYS  20           1HG      LYS  20  -2.108 -15.950 -20.085
  171    HG3  LYS  20           2HG      LYS  20  -0.525 -15.939 -20.866
  172    HD2  LYS  20           1HD      LYS  20  -0.028 -13.828 -20.137
  173    HD3  LYS  20           2HD      LYS  20  -1.720 -13.328 -20.095
  174    HE2  LYS  20           1HE      LYS  20  -1.961 -14.964 -18.143
  175    HE3  LYS  20           2HE      LYS  20  -0.198 -14.975 -18.097
  176    HZ1  LYS  20           3HZ      LYS  20  -1.762 -13.215 -16.792
  177    HZ2  LYS  20           1HZ      LYS  20  -1.358 -12.338 -18.181
  178    HZ3  LYS  20           2HZ      LYS  20  -0.138 -12.952 -17.184
  179    H    LYS  21           H        LYS  21  -5.182 -16.134 -20.354
  180    HA   LYS  21           HA       LYS  21  -4.877 -18.763 -21.469
  181    HB2  LYS  21           1HB      LYS  21  -6.508 -17.576 -19.250
  182    HB3  LYS  21           2HB      LYS  21  -6.862 -19.199 -19.828
  183    HG2  LYS  21           1HG      LYS  21  -4.477 -19.791 -19.385
  184    HG3  LYS  21           2HG      LYS  21  -4.289 -18.209 -18.625
  185    HD2  LYS  21           1HD      LYS  21  -4.726 -19.708 -16.859
  186    HD3  LYS  21           2HD      LYS  21  -6.246 -18.856 -17.139
  187    HE2  LYS  21           1HE      LYS  21  -7.024 -20.756 -18.504
  188    HE3  LYS  21           2HE      LYS  21  -5.523 -21.607 -18.146
  189    HZ1  LYS  21           3HZ      LYS  21  -6.090 -21.693 -15.850
  190    HZ2  LYS  21           1HZ      LYS  21  -7.428 -22.253 -16.721
  191    HZ3  LYS  21           2HZ      LYS  21  -7.436 -20.692 -16.071
  192    H    LYS  22           H        LYS  22  -7.812 -16.800 -20.952
  193    HA   LYS  22           HA       LYS  22  -9.208 -18.240 -23.024
  194    HB2  LYS  22           1HB      LYS  22 -11.103 -16.773 -22.448
  195    HB3  LYS  22           2HB      LYS  22 -10.418 -17.554 -21.029
  196    HG2  LYS  22           1HG      LYS  22 -10.532 -15.490 -20.161
  197    HG3  LYS  22           2HG      LYS  22  -9.014 -15.254 -21.031
  198    HD2  LYS  22           1HD      LYS  22 -10.399 -13.401 -21.561
  199    HD3  LYS  22           2HD      LYS  22 -10.391 -14.448 -22.983
  200    HE2  LYS  22           1HE      LYS  22 -12.630 -14.049 -22.828
  201    HE3  LYS  22           2HE      LYS  22 -12.521 -15.468 -21.788
  202    HZ1  LYS  22           3HZ      LYS  22 -12.949 -12.662 -21.062
  203    HZ2  LYS  22           1HZ      LYS  22 -12.124 -13.654 -19.968
  204    HZ3  LYS  22           2HZ      LYS  22 -13.691 -14.056 -20.458
  205    H    GLN  23           H        GLN  23  -6.938 -15.934 -23.189
  206    HA   GLN  23           HA       GLN  23  -7.974 -13.945 -24.858
  207    HB2  GLN  23           1HB      GLN  23  -5.733 -13.366 -25.354
  208    HB3  GLN  23           2HB      GLN  23  -5.714 -13.984 -23.707
  209    HG2  GLN  23           1HG      GLN  23  -3.889 -15.038 -24.575
  210    HG3  GLN  23           2HG      GLN  23  -5.135 -16.246 -24.885
  211   HE21  GLN  23          2HE2      GLN  23  -4.178 -13.247 -26.521
  212   HE22  GLN  23          1HE2      GLN  23  -3.949 -13.966 -28.075
  213    H    GLU  24           H        GLU  24  -6.712 -17.151 -25.586
  214    HA   GLU  24           HA       GLU  24  -6.750 -16.804 -28.421
  215    HB2  GLU  24           1HB      GLU  24  -6.187 -19.108 -28.562
  216    HB3  GLU  24           2HB      GLU  24  -5.340 -18.474 -27.158
  217    HG2  GLU  24           1HG      GLU  24  -7.122 -19.390 -25.715
  218    HG3  GLU  24           2HG      GLU  24  -7.869 -20.103 -27.143
  219    H    GLN  25           H        GLN  25  -9.189 -17.110 -26.179
  220    HA   GLN  25           HA       GLN  25 -10.993 -18.724 -27.739
  221    HB2  GLN  25           1HB      GLN  25 -11.663 -16.937 -25.401
  222    HB3  GLN  25           2HB      GLN  25 -12.611 -18.283 -26.018
  223    HG2  GLN  25           1HG      GLN  25  -9.852 -18.608 -24.876
  224    HG3  GLN  25           2HG      GLN  25 -11.321 -18.714 -23.906
  225   HE21  GLN  25          2HE2      GLN  25  -9.777 -20.849 -23.857
  226   HE22  GLN  25          1HE2      GLN  25 -10.426 -22.136 -24.809
  227    HA   PRO  26           HA       PRO  26 -12.764 -15.625 -30.292
  228    HB2  PRO  26           1HB      PRO  26 -15.325 -16.506 -30.478
  229    HB3  PRO  26           2HB      PRO  26 -13.973 -17.307 -31.286
  230    HG2  PRO  26           1HG      PRO  26 -15.338 -18.021 -28.719
  231    HG3  PRO  26           2HG      PRO  26 -14.809 -19.082 -30.037
  232    HD2  PRO  26           1HD      PRO  26 -13.389 -18.780 -27.752
  233    HD3  PRO  26           2HD      PRO  26 -12.619 -19.090 -29.320