*HEADER    HYDROLASE                               11-OCT-09   2KPB              
*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-P(375-400);                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED PEPTIDE                        
*KEYWDS    ARNO PB DOMAIN, HYDROLASE                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.MERKULOVA, A.BAKULINA, Y.R.THAKER, G.GR BER, V.MARSHANSKY           
*REVDAT   1   02-MAR-10 2KPB    0                                                


# Torsion angle constraints 
# generated from CA secondary chemical shifts   
  
   1 VAL   PHI -80 -60
   1 VAL   PSI -40 -20
   2 SER   PHI -80 -60 
   2 SER   PSI -40 -20 
   3 VAL   PHI -80 -60
   3 VAL   PSI  -40 -20 
   4 ASP   PHI -80 -60
   4 ASP   PSI -40 -20
   6 PHE   PHI -40 -60 
   6 PHE   PSI -20 -40
   7 TYR   PHI -40 -60 
   7 TYR   PSI -20 -40
   8 GLU   PHI -80 -60
   8 GLU   PSI -20 -40
   9 MET   PHI -80 -60
   9 MET   PSI -20 -40
  10 LEU   PHI -80 -60
  10 LEU   PSI -20 -40
  11 ALA   PHI -80 -60
  11 ALA   PSI -20 -40
  12 ALA   PHI -80 -60
  12 ALA   PSI -20 -40
  13 ARG   PHI -80 -60
  13 ARG   PSI -20 -40
  14 LYS   PHI  -80 -60
  14 LYS   PSI  -20 -40
  15 LYS   PHI  -80 -60
  15 LYS   PSI  -20 -40
  16 ARG   PHI -80 -60
  16 ARG   PSI -20 -40
  17 ILE   PHI -80 -60
  17 ILE   PSI -20 -40
  18 SER   PHI -80 -60
  18 SER   PSI -20 -40
  19 VAL   PHI -80 -60
  19 VAL   PSI -20 -40
  20 LYS   PHI -80 -60
  20 LYS   PSI -20 -40
  21 LYS   PHI -80 -60
  21 LYS   PSI -20 -40
  22 LYS   PHI -80 -60
  22 LYS   PSI -20 -40  
  23 GLN   PHI -80 -60
  23 GLN   PSI -20 -40
  24 GLU   PHI -80 -60
  24 GLU   PSI -20 -40
  25 GLN   PHI -80 -60
  25 GLN   PSI -20 -40



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  := 100,20                   # 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
  2 SER  H       2 SER  QB      2.62            #peak     3 #SUP  0.55  #QF  0.55
  1 VAL  HB      2 SER  H       4.08            #peak     4 #SUP  0.83  #QF  0.83
  1 VAL  QQG     2 SER  H       4.64            #peak     5 #SUP  0.99  #QF  0.99
 18 SER  H      18 SER  QB      3.24            #peak     7 #SUP  0.95  #QF  0.95
  3 VAL  H       3 VAL  HB      3.74            #peak     9 #SUP  0.95  #QF  0.95
  3 VAL  H       3 VAL  QQG     3.19            #peak    10 #SUP  0.96  #QF  0.91
 19 VAL  QG1    20 LYS  H       3.44            #peak    10 #SUP  0.96  #QF  0.91
  2 SER  QB      3 VAL  H       3.76            #peak    11 #SUP  0.89  #QF  0.89
 16 ARG  H      17 ILE  QD1     3.91            #peak    12 #SUP  0.87  #QF  0.79
 13 ARG  H      13 ARG  HA      2.89            #peak    13 #SUP  0.97  #QF  0.97
  3 VAL  HB      4 ASP  H       4.09            #peak    14 #SUP  0.93  #QF  0.93
 14 LYS  HA     15 LYS  H       2.55            #peak    15 #SUP  0.31  #QF  0.31
 15 LYS  H      15 LYS  QE      4.65            #peak    16 #SUP  0.96  #QF  0.96
 17 ILE  H      17 ILE  HG13    3.56            #peak    17 #SUP  0.91  #QF  0.91
 15 LYS  H      17 ILE  HG12    3.09            #peak    18 #SUP  0.78  #QF  0.78
 17 ILE  H      17 ILE  QD1     3.55            #peak    19 #SUP  0.75  #QF  0.75
 16 ARG  H      16 ARG  QG      4.63            #peak    20 #SUP  0.94  #QF  0.84
 13 ARG  H      13 ARG  QG      3.52            #peak    21 #SUP  0.98  #QF  0.98
 13 ARG  H      13 ARG  HB3     4.03            #peak    22 #SUP  0.99  #QF  0.99
 13 ARG  H      13 ARG  HB2     2.70            #peak    23 #SUP  0.84  #QF  0.84
 19 VAL  QG2    20 LYS  H       3.72            #peak    24 #SUP  1.00
 10 LEU  H      10 LEU  HB2     3.06            #peak    26 #SUP  0.78  #QF  0.78
 16 ARG  HB3    16 ARG  HH11    4.25            #peak    30 #SUP  0.97  #QF  0.97
  4 ASP  H       5 PRO  HD2     3.18            #peak    31 #SUP  0.99  #QF  0.59
  7 TYR  H       7 TYR  HB3     2.98            #peak    33 #SUP  0.80  #QF  0.80
  7 TYR  H       7 TYR  HB2     3.62            #peak    34 #SUP  0.96  #QF  0.96
 23 GLN  H      23 GLN  HG3     3.70            #peak    35 #SUP  0.98  #QF  0.98
 14 LYS  H      14 LYS  QE      5.43            #peak    37 #SUP  0.96  #QF  0.30
 15 LYS  QE     16 ARG  H       5.37            #peak    37 #SUP  0.96  #QF  0.30
 13 ARG  H      13 ARG  QD      4.76            #peak    38 #SUP  0.99  #QF  0.99
 16 ARG  QD     17 ILE  H       5.12            #peak    39 #SUP  0.87  #QF  0.87
  8 GLU  H       8 GLU  QG      3.34            #peak    40 #SUP  0.96  #QF  0.96
  8 GLU  H       8 GLU  QB      2.87            #peak    41 #SUP  0.95  #QF  0.95
 22 LYS  H      22 LYS  HB2     4.08            #peak    43 #SUP  1.00  #QF  0.92
 21 LYS  QD     22 LYS  H       4.88            #peak    44 #SUP  0.95  #QF  0.49
 22 LYS  H      22 LYS  QD      5.25            #peak    44 #SUP  0.95  #QF  0.49
 21 LYS  QG     22 LYS  H       4.71            #peak    45 #SUP  0.97  #QF  0.52
 22 LYS  H      22 LYS  QG      4.89            #peak    45 #SUP  0.97  #QF  0.52
 16 ARG  HB2    16 ARG  HH11    4.25            #peak    48 #SUP  0.90  #QF  0.90
 19 VAL  H      19 VAL  HB      2.96            #peak    49 #SUP  0.72  #QF  0.72
 14 LYS  HB3    15 LYS  H       4.47            #peak    51 #SUP  0.91  #QF  0.79
 12 ALA  H      12 ALA  QB      2.55            #peak    52 #SUP  0.75  #QF  0.75
  8 GLU  QB      9 MET  H       3.10            #peak    53 #SUP  0.87  #QF  0.51
 19 VAL  HB     20 LYS  H       4.04            #peak    58 #SUP  0.99  #QF  0.99
 23 GLN  H      23 GLN  QB      2.92            #peak    60 #SUP  0.96  #QF  0.96
 23 GLN  H      23 GLN  HG2     3.70            #peak    62 #SUP  0.99  #QF  0.99
  7 TYR  HB3     8 GLU  H       3.96            #peak    63 #SUP  0.61  #QF  0.61
 22 LYS  H      22 LYS  HB3     4.08            #peak    64 #SUP  0.69  #QF  0.51
 21 LYS  H      21 LYS  QD      4.22            #peak    66 #SUP  0.98  #QF  0.98
 20 LYS  QG     21 LYS  H       4.40            #peak    67 #SUP  1.00  #QF  0.40
 21 LYS  H      21 LYS  QG      4.70            #peak    67 #SUP  1.00  #QF  0.40
 20 LYS  H      20 LYS  QG      4.21            #peak    70 #SUP  0.99  #QF  0.99
 17 ILE  QD1    18 SER  H       4.01            #peak    71 #SUP  0.80  #QF  0.80
 17 ILE  QG2    18 SER  H       4.15            #peak    72 #SUP  0.73  #QF  0.73
 17 ILE  H      17 ILE  QG2     3.49            #peak    73 #SUP  0.72  #QF  0.72
 17 ILE  HG13   18 SER  H       3.48            #peak    75 #SUP  0.98  #QF  0.98
 17 ILE  HB     18 SER  H       3.59            #peak    76 #SUP  0.99  #QF  0.99
 19 VAL  H      19 VAL  QG1     3.25            #peak    77 #SUP  0.96  #QF  0.50
 15 LYS  H      15 LYS  QB      3.00            #peak    81 #SUP  0.92  #QF  0.92
  9 MET  HG3    10 LEU  H       3.72            #peak    83 #SUP  0.73  #QF  0.51
 16 ARG  H      16 ARG  QD      4.66            #peak    85 #SUP  0.96  #QF  0.96
  6 PHE  QE     10 LEU  HB2     4.89            #peak    87 #SUP  0.79  #QF  0.79
 16 ARG  QG     16 ARG  HH11    3.78            #peak    88 #SUP  1.00  #QF  0.87
 16 ARG  QD     16 ARG  HH11    2.83            #peak    89 #SUP  1.00
 16 ARG  HA     16 ARG  HH11    4.77            #peak    90 #SUP  0.99  #QF  0.99
  4 ASP  H       4 ASP  HB2     3.18            #peak    99 #SUP  0.87  #QF  0.87
  4 ASP  H       4 ASP  HB3     3.35            #peak   100 #SUP  0.96  #QF  0.96
  6 PHE  H       6 PHE  HB2     2.98            #peak   103 #SUP  0.92  #QF  0.92
  6 PHE  H       6 PHE  HB3     3.11            #peak   104 #SUP  0.96  #QF  0.96
  6 PHE  HB3     7 TYR  H       3.39            #peak   105 #SUP  0.83  #QF  0.83
  7 TYR  HB2     8 GLU  H       4.51            #peak   107 #SUP  1.00
  7 TYR  HB3    13 ARG  HH11    3.11            #peak   109 #SUP  0.94  #QF  0.49
 13 ARG  QD     13 ARG  HH11    3.25            #peak   109 #SUP  0.94  #QF  0.49
  7 TYR  QE     17 ILE  HB      3.59            #peak   110 #SUP  0.83  #QF  0.83
  7 TYR  QE      8 GLU  HA      4.48            #peak   111 #SUP  0.80  #QF  0.71
 13 ARG  HA     13 ARG  HH11    5.00            #peak   111 #SUP  0.80  #QF  0.71
 15 LYS  QB     16 ARG  H       2.66            #peak   112 #SUP  0.70  #QF  0.54
 10 LEU  H      10 LEU  HB3     3.53            #peak   114 #SUP  0.95  #QF  0.95
 13 ARG  HB3    13 ARG  HH11    3.75            #peak   115 #SUP  0.88  #QF  0.88
 13 ARG  QG     13 ARG  HH11    3.64            #peak   116 #SUP  0.97  #QF  0.97
 14 LYS  H      14 LYS  QD      3.65            #peak   117 #SUP  0.78  #QF  0.78
 23 GLN  HA     24 GLU  H       3.53            #peak   118 #SUP  0.96  #QF  0.94
 11 ALA  HA     14 LYS  QD      4.49            #peak   121 #SUP  0.90  #QF  0.61
 17 ILE  HA     17 ILE  HG12    3.93            #peak   122 #SUP  0.95  #QF  0.95
 17 ILE  HA     19 VAL  QG1     4.88            #peak   123 #SUP  0.95  #QF  0.93
  9 MET  H       9 MET  HG3     3.66            #peak   124 #SUP  0.96  #QF  0.96
 24 GLU  H      24 GLU  QG      4.20            #peak   125 #SUP  0.98  #QF  0.96
 24 GLU  QG     25 GLN  H       4.69            #peak   125 #SUP  0.98  #QF  0.96
 16 ARG  H      17 ILE  QG2     4.78            #peak   129 #SUP  0.75  #QF  0.75
 16 ARG  H      17 ILE  HG12    4.54            #peak   130 #SUP  0.99  #QF  0.99
 14 LYS  H      17 ILE  HG13    5.22            #peak   131 #SUP  0.89  #QF  0.36
 16 ARG  H      19 VAL  QG1     5.49            #peak   131 #SUP  0.89  #QF  0.36
 17 ILE  H      17 ILE  HG12    4.76            #peak   132 #SUP  1.00
 16 ARG  HA     18 SER  H       4.40            #peak   133 #SUP  0.99  #QF  0.99
 14 LYS  H      18 SER  QB      4.65            #peak   134 #SUP  0.39  #QF  0.39
 14 LYS  H      14 LYS  QG      3.95            #peak   137 #SUP  0.98  #QF  0.97
 15 LYS  QG     16 ARG  H       4.50            #peak   137 #SUP  0.98  #QF  0.97
 11 ALA  QB     12 ALA  H       3.01            #peak   140 #SUP  0.80  #QF  0.80
 15 LYS  H      15 LYS  QG      2.84            #peak   141 #SUP  0.74  #QF  0.74
  9 MET  H       9 MET  HG2     3.57            #peak   144 #SUP  0.97  #QF  0.97
  9 MET  HG2    10 LEU  H       4.57            #peak   146 #SUP  0.88  #QF  0.88
 17 ILE  HG12   18 SER  H       3.80            #peak   147 #SUP  0.98  #QF  0.98
 10 LEU  HB2    11 ALA  H       5.05            #peak   148 #SUP  1.00  #QF  0.98
 11 ALA  H      12 ALA  QB      5.48            #peak   148 #SUP  1.00  #QF  0.98
 14 LYS  QD     18 SER  H       5.50            #peak   148 #SUP  1.00  #QF  0.98
 22 LYS  QG     23 GLN  H       4.59            #peak   149 #SUP  0.93  #QF  0.93
 21 LYS  QD     23 GLN  H       5.50            #peak   150 #SUP  0.95  #QF  0.27
 22 LYS  QD     23 GLN  H       5.50            #peak   150 #SUP  0.95  #QF  0.27
 17 ILE  H      18 SER  HA      5.31            #peak   151 #SUP  0.97  #QF  0.97
  6 PHE  QE     13 ARG  QD      4.24            #peak   155 #SUP  0.73  #QF  0.73
  6 PHE  QD     13 ARG  QD      3.63            #peak   158 #SUP  1.00
  7 TYR  QE      8 GLU  QG      4.33            #peak   161 #SUP  0.98  #QF  0.98
  4 ASP  HB3     7 TYR  QE      4.89            #peak   162 #SUP  0.83  #QF  0.83
  7 TYR  H       8 GLU  QG      4.99            #peak   165 #SUP  0.99  #QF  0.99
  7 TYR  H       8 GLU  QB      4.33            #peak   166 #SUP  0.98  #QF  0.98
  7 TYR  H      13 ARG  QG      4.92            #peak   167 #SUP  0.93  #QF  0.93
  7 TYR  H      13 ARG  HB3     4.85            #peak   170 #SUP  0.77  #QF  0.77
  7 TYR  H      10 LEU  HB2     5.12            #peak   171 #SUP  0.87  #QF  0.87
  5 PRO  HD2     6 PHE  H       3.80            #peak   172 #SUP  0.66  #QF  0.66
  5 PRO  HG3     6 PHE  H       4.14            #peak   173 #SUP  0.98  #QF  0.98
  5 PRO  HG2     6 PHE  H       3.81            #peak   174 #SUP  0.91  #QF  0.91
  5 PRO  HB3     6 PHE  H       4.30            #peak   176 #SUP  0.99  #QF  0.99
  9 MET  H       9 MET  HB3     3.02            #peak   177 #SUP  0.86  #QF  0.86
 14 LYS  HB2    15 LYS  H       4.47            #peak   180 #SUP  0.80  #QF  0.80
  3 VAL  H       5 PRO  HD2     3.66            #peak   184 #SUP  0.98  #QF  0.37
  2 SER  H       3 VAL  H       4.54            #peak   187 #SUP  0.89  #QF  0.89
 20 LYS  H      21 LYS  H       3.24            #peak   188 #SUP  0.88  #QF  0.88
 21 LYS  H      22 LYS  H       3.22            #peak   189 #SUP  0.88  #QF  0.88
  3 VAL  H       4 ASP  H       3.45            #peak   191 #SUP  0.88  #QF  0.28
 19 VAL  H      20 LYS  H       3.85            #peak   191 #SUP  0.88  #QF  0.28
 15 LYS  H      17 ILE  H       3.57            #peak   192 #SUP  0.77  #QF  0.77
 15 LYS  H      16 ARG  H       3.24            #peak   193 #SUP  0.86  #QF  0.86
 16 ARG  H      18 SER  H       4.33            #peak   194 #SUP  0.82  #QF  0.82
 17 ILE  H      18 SER  H       3.15            #peak   195 #SUP  0.88  #QF  0.88
 20 LYS  H      22 LYS  H       4.57            #peak   196 #SUP  0.82  #QF  0.82
 22 LYS  H      23 GLN  H       3.18            #peak   197 #SUP  0.73  #QF  0.73
 16 ARG  H      17 ILE  H       3.24            #peak   198 #SUP  0.81  #QF  0.73
  8 GLU  H       9 MET  H       3.48            #peak   199 #SUP  0.85  #QF  0.69
  9 MET  H      10 LEU  H       3.69            #peak   199 #SUP  0.85  #QF  0.69
  6 PHE  H       9 MET  H       4.81            #peak   200 #SUP  0.92  #QF  0.92
  7 TYR  H       9 MET  H       4.46            #peak   201 #SUP  0.90  #QF  0.90
  4 ASP  H       6 PHE  H       5.24            #peak   202 #SUP  0.87  #QF  0.87
  7 TYR  HA     13 ARG  HH11    3.21            #peak   203 #SUP  0.70  #QF  0.70
  7 TYR  HB2    13 ARG  HH11    3.18            #peak   204 #SUP  0.55  #QF  0.55
  6 PHE  H       8 GLU  H       4.33            #peak   205 #SUP  0.95  #QF  0.95
  7 TYR  H       8 GLU  H       3.25            #peak   206 #SUP  0.91  #QF  0.91
  7 TYR  QE      8 GLU  H       4.56            #peak   207 #SUP  0.94  #QF  0.94
  6 PHE  H       7 TYR  H       3.14            #peak   208 #SUP  0.87  #QF  0.87
  6 PHE  H       6 PHE  QD      4.13            #peak   209 #SUP  0.89  #QF  0.89
  7 TYR  H      10 LEU  H       4.96            #peak   210 #SUP  0.86  #QF  0.86
 23 GLN  H      23 GLN  HE21    5.50            #peak   212 #SUP  0.95  #QF  0.95
 23 GLN  QB     23 GLN  HE21    4.85            #peak   213 #SUP  0.99  #QF  0.99
 23 GLN  HA     23 GLN  HE21    5.22            #peak   214 #SUP  0.85  #QF  0.85
  7 TYR  H      13 ARG  HH11    3.97            #peak   215 #SUP  0.95  #QF  0.95
  3 VAL  H       4 ASP  HA      4.99            #peak   216 #SUP  0.89  #QF  0.89
  4 ASP  HA      8 GLU  H       5.05            #peak   217 #SUP  0.94  #QF  0.94
  4 ASP  HA      6 PHE  H       4.47            #peak   218 #SUP  0.87  #QF  0.87
  2 SER  HA      4 ASP  H       4.48            #peak   219 #SUP  0.40  #QF  0.40
 18 SER  HA     21 LYS  H       4.17            #peak   220 #SUP  0.92  #QF  0.92
 19 VAL  HA     21 LYS  H       4.58            #peak   222 #SUP  0.90  #QF  0.90
 16 ARG  HA     20 LYS  H       4.15            #peak   223 #SUP  0.88  #QF  0.88
 18 SER  HA     20 LYS  H       4.78            #peak   224 #SUP  0.89  #QF  0.89
 14 LYS  HA     17 ILE  H       4.47            #peak   225 #SUP  0.47  #QF  0.47
  6 PHE  HA      8 GLU  H       4.37            #peak   228 #SUP  0.70  #QF  0.70
 19 VAL  HA     22 LYS  H       3.94            #peak   231 #SUP  0.95  #QF  0.95
  3 VAL  H       4 ASP  HB3     5.50            #peak   232 #SUP  0.97  #QF  0.97
  3 VAL  H       4 ASP  HB2     5.50            #peak   233 #SUP  0.95  #QF  0.95
  6 PHE  HB3     9 MET  H       5.50            #peak   234 #SUP  0.65  #QF  0.65
 10 LEU  H      10 LEU  HG      4.71            #peak   236 #SUP  0.97  #QF  0.84
 21 LYS  H      23 GLN  QB      5.09            #peak   237 #SUP  0.97  #QF  0.97
  4 ASP  H       5 PRO  HG3     4.75            #peak   238 #SUP  0.49  #QF  0.49
 17 ILE  QG2    21 LYS  H       5.50            #peak   242 #SUP  0.70  #QF  0.70
 19 VAL  QG2    21 LYS  H       5.29            #peak   243 #SUP  0.99  #QF  0.99
 19 VAL  QG1    21 LYS  H       4.28            #peak   244 #SUP  0.98  #QF  0.98
 15 LYS  H      17 ILE  QD1     3.73            #peak   245 #SUP  0.53  #QF  0.53
 19 VAL  QG1    22 LYS  H       5.32            #peak   249 #SUP  1.00
 19 VAL  QG2    22 LYS  H       5.09            #peak   250 #SUP  0.95  #QF  0.95
 23 GLN  QB     24 GLU  H       4.86            #peak   251 #SUP  0.83  #QF  0.39
  8 GLU  H       9 MET  HG2     4.92            #peak   254 #SUP  0.92  #QF  0.92
  6 PHE  HB3     8 GLU  H       4.77            #peak   255 #SUP  0.43  #QF  0.43
  4 ASP  HB3     8 GLU  H       5.50            #peak   256 #SUP  0.39  #QF  0.39
  4 ASP  HB3     6 PHE  H       5.04            #peak   257 #SUP  0.98  #QF  0.98
  6 PHE  H       9 MET  HG2     5.50            #peak   258 #SUP  1.00
  6 PHE  H       8 GLU  QG      5.50            #peak   259 #SUP  0.99  #QF  0.99
  7 TYR  H       8 GLU  HA      5.21            #peak   263 #SUP  0.99  #QF  0.99
  5 PRO  HD2     7 TYR  H       5.10            #peak   264 #SUP  0.92  #QF  0.92
  5 PRO  HG2     7 TYR  H       5.50            #peak   266 #SUP  0.95  #QF  0.95
 19 VAL  QG1    23 GLN  HE21    4.53            #peak   267 #SUP  0.43  #QF  0.43
  7 TYR  QE      8 GLU  QB      4.54            #peak   269 #SUP  0.99  #QF  0.99
 10 LEU  HB2    13 ARG  HH11    5.50            #peak   270 #SUP  0.86  #QF  0.59
  7 TYR  QE     14 LYS  QD      5.50            #peak   270 #SUP  0.86  #QF  0.59
  7 TYR  QE     14 LYS  QG      4.06            #peak   271 #SUP  0.71  #QF  0.71
  6 PHE  QD      9 MET  HG2     5.07            #peak   272 #SUP  0.97  #QF  0.97
  6 PHE  QD      9 MET  HG3     5.50            #peak   273 #SUP  0.87  #QF  0.87
  5 PRO  HB2     6 PHE  QD      5.50            #peak   274 #SUP  0.49  #QF  0.49
  6 PHE  QD     13 ARG  HB3     5.13            #peak   275 #SUP  0.83  #QF  0.83
  6 PHE  QD     13 ARG  QG      5.25            #peak   276 #SUP  1.00  #QF  0.88
  6 PHE  QD     10 LEU  HB2     4.88            #peak   277 #SUP  0.54  #QF  0.54
  4 ASP  HB3     7 TYR  QD      5.25            #peak   278 #SUP  0.91  #QF  0.91
  7 TYR  HA      7 TYR  QD      4.00            #peak   279 #SUP  0.98  #QF  0.98
  7 TYR  QD      8 GLU  HA      4.66            #peak   280 #SUP  0.99  #QF  0.99
  7 TYR  QD      8 GLU  QG      5.03            #peak   281 #SUP  1.00
  6 PHE  HA      6 PHE  QD      3.18            #peak   282 #SUP  0.92  #QF  0.92
  5 PRO  HB2     6 PHE  HA      4.31            #peak   283 #SUP  0.57  #QF  0.57
  6 PHE  HA      9 MET  HG2     4.60            #peak   284 #SUP  0.75  #QF  0.75
 20 LYS  HA     23 GLN  QB      3.45            #peak   285 #SUP  0.87  #QF  0.87
 18 SER  HA     22 LYS  H       4.51            #peak   286 #SUP  0.84  #QF  0.84
 19 VAL  HA     22 LYS  QG      4.80            #peak   287 #SUP  0.84  #QF  0.84
 20 LYS  HA     23 GLN  HG2     4.47            #peak   288 #SUP  0.97  #QF  0.97
 20 LYS  HA     23 GLN  HG3     4.47            #peak   290 #SUP  0.94  #QF  0.94
 16 ARG  HA     17 ILE  QG2     5.37            #peak   291 #SUP  0.66  #QF  0.66
 19 VAL  HA     22 LYS  QD      4.78            #peak   292 #SUP  0.90  #QF  0.90
  4 ASP  HB3     5 PRO  HD2     4.02            #peak   294 #SUP  0.82  #QF  0.82
 17 ILE  HA     20 LYS  HB2     4.20            #peak   295 #SUP  0.47  #QF  0.47
 18 SER  HA     21 LYS  QD      5.50            #peak   297 #SUP  0.84  #QF  0.79
 18 SER  HA     21 LYS  QG      5.43            #peak   298 #SUP  0.86  #QF  0.86
 17 ILE  HG12   18 SER  HA      4.87            #peak   299 #SUP  0.93  #QF  0.93
 17 ILE  HA     21 LYS  H       4.54            #peak   300 #SUP  0.92  #QF  0.92
 21 LYS  H      22 LYS  HA      5.31            #peak   301 #SUP  0.99  #QF  0.99
 17 ILE  HA     20 LYS  H       3.97            #peak   302 #SUP  0.92  #QF  0.92
 14 LYS  HA     18 SER  H       3.98            #peak   306 #SUP  0.91  #QF  0.91
 16 ARG  HA     19 VAL  H       3.77            #peak   309 #SUP  0.45  #QF  0.45
  6 PHE  HA      9 MET  H       3.83            #peak   310 #SUP  0.86  #QF  0.86
  6 PHE  HA     10 LEU  H       4.81            #peak   312 #SUP  0.87  #QF  0.87
  7 TYR  HA     10 LEU  H       3.87            #peak   313 #SUP  0.81  #QF  0.61
  3 VAL  HA      6 PHE  H       4.95            #peak   318 #SUP  0.57  #QF  0.57
  4 ASP  HA      7 TYR  H       4.54            #peak   319 #SUP  0.93  #QF  0.93
 20 LYS  HA     23 GLN  H       3.83            #peak   321 #SUP  0.92  #QF  0.92
  3 VAL  H       5 PRO  HG3     5.50            #peak   323 #SUP  0.92  #QF  0.53
  7 TYR  QD     14 LYS  QG      4.01            #peak   325 #SUP  0.83  #QF  0.83
  7 TYR  QD     17 ILE  HG13    4.42            #peak   326 #SUP  0.94  #QF  0.94
  7 TYR  QD     17 ILE  QD1     4.02            #peak   327 #SUP  0.51  #QF  0.51
  7 TYR  QE     17 ILE  HG13    4.16            #peak   328 #SUP  0.93  #QF  0.93
  7 TYR  QE     17 ILE  QD1     3.49            #peak   329 #SUP  0.51  #QF  0.51
 10 LEU  HA     10 LEU  HG      3.76            #peak   333 #SUP  0.79  #QF  0.31
 15 LYS  HA     15 LYS  QG      3.95            #peak   333 #SUP  0.79  #QF  0.31
 14 LYS  QD     18 SER  QB      4.57            #peak   334 #SUP  0.56  #QF  0.43
  6 PHE  QD      7 TYR  HA      4.17            #peak   335 #SUP  0.77  #QF  0.77
 16 ARG  HA     19 VAL  QG1     3.70            #peak   337 #SUP  0.62  #QF  0.62
 16 ARG  HA     17 ILE  QD1     5.13            #peak   338 #SUP  0.58  #QF  0.58
 19 VAL  QG2    20 LYS  HA      4.63            #peak   340 #SUP  0.95  #QF  0.95
 14 LYS  HA     17 ILE  HG12    4.45            #peak   342 #SUP  0.88  #QF  0.88
 10 LEU  H      11 ALA  H       5.45            #peak   344 #SUP  0.49  #QF  0.49
 17 ILE  HA     18 SER  QB      5.11            #peak   345 #SUP  0.52  #QF  0.52
 17 ILE  HA     20 LYS  HB3     4.20            #peak   346 #SUP  0.85  #QF  0.56
  7 TYR  HA     14 LYS  QG      5.21            #peak   347 #SUP  0.78  #QF  0.40
  7 TYR  HA     13 ARG  QG      3.42            #peak   349 #SUP  0.70  #QF  0.70
  9 MET  HG2    10 LEU  HA      5.50            #peak   350 #SUP  0.90  #QF  0.72
 11 ALA  QB     12 ALA  HA      3.91            #peak   352 #SUP  0.80  #QF  0.80
 16 ARG  HA     18 SER  QB      4.84            #peak   355 #SUP  0.78  #QF  0.78
  6 PHE  QD     13 ARG  HB2     4.83            #peak   361 #SUP  0.77  #QF  0.77
  5 PRO  HG2     6 PHE  QD      5.44            #peak   362 #SUP  0.53  #QF  0.53
 17 ILE  HG13   18 SER  HA      5.11            #peak   363 #SUP  0.98  #QF  0.94
 18 SER  HA     19 VAL  QG1     5.50            #peak   363 #SUP  0.98  #QF  0.94
 17 ILE  HA     17 ILE  QD1     5.50            #peak   365 #SUP  0.87  #QF  0.76
  6 PHE  HA      6 PHE  QE      4.67            #peak   366 #SUP  0.99  #QF  0.99
  6 PHE  QE      7 TYR  HA      5.37            #peak   367 #SUP  0.95  #QF  0.95
  6 PHE  QE     13 ARG  HA      5.50            #peak   368 #SUP  0.94  #QF  0.94
 20 LYS  HA     23 GLN  HE21    5.50            #peak   369 #SUP  0.99  #QF  0.99
  7 TYR  QE     17 ILE  HA      5.50            #peak   370 #SUP  0.81  #QF  0.81
  7 TYR  H       9 MET  HG2     5.50            #peak   371 #SUP  0.99  #QF  0.99
  7 TYR  QD      8 GLU  QB      5.50            #peak   374 #SUP  1.00
  5 PRO  HB3     8 GLU  H       5.50            #peak   375 #SUP  0.90  #QF  0.90
  5 PRO  HB3     9 MET  H       5.50            #peak   376 #SUP  0.78  #QF  0.78
 16 ARG  QD     20 LYS  H       5.50            #peak   377 #SUP  0.82  #QF  0.82
 19 VAL  QG1    20 LYS  HA      3.82            #peak   378 #SUP  0.91  #QF  0.91
  6 PHE  QD      7 TYR  H       4.68            #peak   379 #SUP  0.99  #QF  0.99
  7 TYR  QE     17 ILE  H       5.50            #peak   380 #SUP  0.33  #QF  0.33
 13 ARG  H      14 LYS  H       4.10            #peak   381 #SUP  0.83  #QF  0.59
  4 ASP  H       7 TYR  H       5.50            #peak   382 #SUP  0.61  #QF  0.61
  4 ASP  H       7 TYR  QE      5.50            #peak   383 #SUP  0.49  #QF  0.33
  7 TYR  QE     15 LYS  H       5.50            #peak   383 #SUP  0.49  #QF  0.33
 15 LYS  H      17 ILE  QG2     5.29            #peak   384 #SUP  0.85  #QF  0.85
 17 ILE  QG2    20 LYS  H       5.50            #peak   385 #SUP  0.78  #QF  0.78
 20 LYS  H      23 GLN  HG2     5.50            #peak   387 #SUP  0.99  #QF  0.99
 20 LYS  H      23 GLN  HG3     5.50            #peak   388 #SUP  0.91  #QF  0.91
  6 PHE  HA     10 LEU  QQD     5.44            #peak   365
  6 PHE  QD     10 LEU  QQD     3.63            #peak   330
  6 PHE  QE     10 LEU  QQD     3.58            #peak   268
  7 TYR  H      10 LEU  QQD     5.11            #peak   168
  8 GLU  H      10 LEU  QQD     5.41            #peak   248
  9 MET  HA     10 LEU  QQD     5.38            #peak   353
 10 LEU  H      10 LEU  QQD     3.58            #peak    12
 14 LYS  QB     18 SER  H       3.68            #peak   239
 14 LYS  QB     18 SER  HA      4.97            #peak   296
 15 LYS  H      15 LYS  QD      3.62            #peak    82
 16 ARG  H      16 ARG  QB      3.39            #peak   113
 16 ARG  QB     16 ARG  HH11    3.51            #peak    48
 16 ARG  QB     17 ILE  H       4.10            #peak    22
 16 ARG  QB     18 SER  H       5.28            #peak   322
 16 ARG  QB     20 LYS  H       5.34            #peak   323
 18 SER  HA     21 LYS  QB      3.75            #peak   358
 19 VAL  HA     22 LYS  QB      4.21            #peak   293
 20 LYS  H      20 LYS  QB      2.85            #peak    50
 20 LYS  HA     23 GLN  QG      3.85            #peak   290
 20 LYS  QB     21 LYS  H       3.09            #peak    59
 21 LYS  H      21 LYS  QB      3.09            #peak    59
 21 LYS  H      23 GLN  QG      5.34            #peak   391
 21 LYS  QB     22 LYS  H       3.01            #peak    64
 22 LYS  H      22 LYS  QB      3.22            #peak    64
 22 LYS  QB     23 GLN  H       3.29            #peak   241
 23 GLN  H      23 GLN  QG      3.17            #peak    35
 24 GLU  H      24 GLU  QB      3.07            #peak   179
 25 GLN  H      25 GLN  QB      2.84            #peak    28
 25 GLN  H      25 GLN  QG      3.66            #peak    95

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H        VAL   1   2.333  -0.143   0.343
    2    HA   VAL   1           HA       VAL   1   2.129   0.470  -2.432
    3    HB   VAL   1           HB       VAL   1   4.453  -0.228  -2.596
    4   HG11  VAL   1          1HG1      VAL   1   3.739   1.403  -0.173
    5   HG12  VAL   1          2HG1      VAL   1   5.399   1.219  -0.744
    6   HG13  VAL   1          3HG1      VAL   1   4.186   1.972  -1.781
    7   HG21  VAL   1          3HG2      VAL   1   4.108  -1.237   0.226
    8   HG22  VAL   1          1HG2      VAL   1   4.362  -2.224  -1.214
    9   HG23  VAL   1          2HG2      VAL   1   5.637  -1.145  -0.647
   10    H    SER   2           H        SER   2   1.843  -2.432  -0.555
   11    HA   SER   2           HA       SER   2   2.208  -4.220  -2.784
   12    HB2  SER   2           2HB      SER   2   2.782  -4.916  -0.488
   13    HB3  SER   2           3HB      SER   2   1.089  -4.760  -0.021
   14    HG   SER   2           HG       SER   2   0.813  -6.697  -0.752
   15    H    VAL   3           H        VAL   3  -0.371  -2.403  -1.457
   16    HA   VAL   3           HA       VAL   3  -2.480  -4.084  -2.492
   17    HB   VAL   3           HB       VAL   3  -3.992  -2.267  -1.793
   18   HG11  VAL   3          1HG1      VAL   3  -3.723  -2.555   0.551
   19   HG12  VAL   3          2HG1      VAL   3  -3.156  -4.039  -0.217
   20   HG13  VAL   3          3HG1      VAL   3  -1.994  -2.855   0.381
   21   HG21  VAL   3          3HG2      VAL   3  -3.121  -0.202  -1.882
   22   HG22  VAL   3          1HG2      VAL   3  -2.498  -0.559  -0.271
   23   HG23  VAL   3          2HG2      VAL   3  -1.469  -0.788  -1.685
   24    H    ASP   4           H        ASP   4  -0.527  -1.486  -3.624
   25    HA   ASP   4           HA       ASP   4  -2.203  -0.335  -5.544
   26    HB2  ASP   4           2HB      ASP   4   0.545  -0.178  -4.811
   27    HB3  ASP   4           3HB      ASP   4   0.463  -0.401  -6.557
   28    HA   PRO   5           HA       PRO   5  -0.388  -3.566  -8.666
   29    HB2  PRO   5           2HB      PRO   5   0.822  -5.745  -7.590
   30    HB3  PRO   5           3HB      PRO   5   1.697  -4.265  -7.998
   31    HG2  PRO   5           2HG      PRO   5   0.679  -5.191  -5.340
   32    HG3  PRO   5           3HG      PRO   5   2.236  -4.446  -5.744
   33    HD2  PRO   5           2HD      PRO   5   0.195  -3.049  -4.642
   34    HD3  PRO   5           3HD      PRO   5   1.353  -2.317  -5.771
   35    H    PHE   6           H        PHE   6  -1.642  -4.709  -5.579
   36    HA   PHE   6           HA       PHE   6  -2.849  -7.078  -6.435
   37    HB2  PHE   6           2HB      PHE   6  -2.550  -6.137  -4.042
   38    HB3  PHE   6           3HB      PHE   6  -4.078  -5.312  -4.333
   39    HD1  PHE   6           HD2      PHE   6  -6.147  -6.556  -4.526
   40    HD2  PHE   6           HD1      PHE   6  -2.450  -8.532  -3.790
   41    HE1  PHE   6           HE2      PHE   6  -7.368  -8.589  -3.872
   42    HE2  PHE   6           HE1      PHE   6  -3.665 -10.569  -3.135
   43    HZ   PHE   6           HZ       PHE   6  -6.127 -10.599  -3.174
   44    H    TYR   7           H        TYR   7  -4.466  -3.946  -5.868
   45    HA   TYR   7           HA       TYR   7  -6.854  -4.713  -7.182
   46    HB2  TYR   7           2HB      TYR   7  -7.658  -2.693  -6.521
   47    HB3  TYR   7           3HB      TYR   7  -6.223  -2.704  -5.502
   48    HD1  TYR   7           HD1      TYR   7  -4.260  -1.348  -6.104
   49    HD2  TYR   7           HD2      TYR   7  -7.851  -1.183  -8.381
   50    HE1  TYR   7           HE1      TYR   7  -3.492   0.739  -7.154
   51    HE2  TYR   7           HE2      TYR   7  -7.093   0.904  -9.437
   52    HH   TYR   7           HH       TYR   7  -4.008   1.952  -9.434
   53    H    GLU   8           H        GLU   8  -3.828  -3.584  -8.321
   54    HA   GLU   8           HA       GLU   8  -4.757  -2.433 -10.771
   55    HB2  GLU   8           2HB      GLU   8  -2.140  -3.047  -9.537
   56    HB3  GLU   8           3HB      GLU   8  -2.170  -3.026 -11.294
   57    HG2  GLU   8           2HG      GLU   8  -3.178  -0.774  -9.576
   58    HG3  GLU   8           3HG      GLU   8  -1.542  -0.864 -10.228
   59    H    MET   9           H        MET   9  -3.405  -5.568  -9.830
   60    HA   MET   9           HA       MET   9  -3.565  -6.615 -12.509
   61    HB2  MET   9           2HB      MET   9  -2.748  -8.678 -11.566
   62    HB3  MET   9           3HB      MET   9  -1.827  -7.342 -10.888
   63    HG2  MET   9           2HG      MET   9  -3.215  -7.440  -8.862
   64    HG3  MET   9           3HG      MET   9  -4.074  -8.821  -9.541
   65    HE1  MET   9           3HE      MET   9  -0.944  -7.605  -7.596
   66    HE2  MET   9           1HE      MET   9   0.287  -8.774  -8.075
   67    HE3  MET   9           2HE      MET   9  -0.348  -7.629  -9.257
   68    H    LEU  10           H        LEU  10  -5.421  -6.882  -9.521
   69    HA   LEU  10           HA       LEU  10  -7.246  -8.824 -10.602
   70    HB2  LEU  10           2HB      LEU  10  -6.813  -7.463  -8.045
   71    HB3  LEU  10           3HB      LEU  10  -8.508  -7.766  -8.421
   72    HG   LEU  10           HG       LEU  10  -7.679  -9.561  -7.066
   73   HD11  LEU  10          1HD1      LEU  10  -9.014  -9.909  -9.378
   74   HD12  LEU  10          2HD1      LEU  10  -8.642 -11.214  -8.253
   75   HD13  LEU  10          3HD1      LEU  10  -7.618 -10.948  -9.663
   76   HD21  LEU  10          3HD2      LEU  10  -5.275  -9.211  -7.664
   77   HD22  LEU  10          1HD2      LEU  10  -5.585 -10.076  -9.170
   78   HD23  LEU  10          2HD2      LEU  10  -5.784 -10.900  -7.623
   79    H    ALA  11           H        ALA  11  -9.047  -8.460 -11.726
   80    HA   ALA  11           HA       ALA  11  -9.754  -5.760 -12.446
   81    HB1  ALA  11           1HB      ALA  11 -11.695  -7.550 -13.426
   82    HB2  ALA  11           2HB      ALA  11 -10.367  -6.796 -14.309
   83    HB3  ALA  11           3HB      ALA  11 -10.138  -8.369 -13.545
   84    H    ALA  12           H        ALA  12 -11.174  -8.381 -10.553
   85    HA   ALA  12           HA       ALA  12 -13.665  -7.129 -10.072
   86    HB1  ALA  12           1HB      ALA  12 -13.882  -9.316  -9.562
   87    HB2  ALA  12           2HB      ALA  12 -12.212  -9.466  -9.014
   88    HB3  ALA  12           3HB      ALA  12 -13.429  -8.762  -7.950
   89    H    ARG  13           H        ARG  13 -10.529  -6.633  -8.774
   90    HA   ARG  13           HA       ARG  13 -11.352  -5.524  -6.264
   91    HB2  ARG  13           2HB      ARG  13  -8.822  -5.946  -7.706
   92    HB3  ARG  13           3HB      ARG  13  -8.849  -4.514  -6.686
   93    HG2  ARG  13           2HG      ARG  13  -9.473  -7.318  -5.782
   94    HG3  ARG  13           3HG      ARG  13  -7.957  -6.458  -5.511
   95    HD2  ARG  13           2HD      ARG  13  -9.530  -4.653  -4.446
   96    HD3  ARG  13           3HD      ARG  13 -10.643  -6.012  -4.291
   97    HE   ARG  13           HE       ARG  13  -9.285  -6.912  -2.663
   98   HH11  ARG  13          1HH1      ARG  13  -7.661  -4.261  -4.231
   99   HH12  ARG  13          2HH1      ARG  13  -6.375  -4.193  -3.072
  100   HH21  ARG  13          1HH2      ARG  13  -7.597  -6.832  -1.131
  101   HH22  ARG  13          2HH2      ARG  13  -6.339  -5.656  -1.309
  102    H    LYS  14           H        LYS  14 -10.474  -4.229  -9.428
  103    HA   LYS  14           HA       LYS  14 -10.411  -1.512  -8.760
  104    HB2  LYS  14           2HB      LYS  14 -11.208  -2.818 -11.368
  105    HB3  LYS  14           3HB      LYS  14 -10.831  -1.112 -11.170
  106    HG2  LYS  14           2HG      LYS  14  -8.556  -1.635 -10.576
  107    HG3  LYS  14           3HG      LYS  14  -8.911  -3.364 -10.615
  108    HD2  LYS  14           2HD      LYS  14  -7.845  -2.865 -12.667
  109    HD3  LYS  14           3HD      LYS  14  -9.561  -3.043 -13.039
  110    HE2  LYS  14           2HE      LYS  14  -8.938  -1.124 -14.206
  111    HE3  LYS  14           3HE      LYS  14  -9.682  -0.495 -12.736
  112    HZ1  LYS  14           3HZ      LYS  14  -7.609   0.048 -11.840
  113    HZ2  LYS  14           1HZ      LYS  14  -7.496   0.529 -13.458
  114    HZ3  LYS  14           2HZ      LYS  14  -6.761  -0.906 -12.950
  115    H    LYS  15           H        LYS  15 -12.049  -0.751  -7.514
  116    HA   LYS  15           HA       LYS  15 -14.808  -1.341  -8.120
  117    HB2  LYS  15           2HB      LYS  15 -13.450   0.385  -6.057
  118    HB3  LYS  15           3HB      LYS  15 -15.198   0.367  -6.250
  119    HG2  LYS  15           2HG      LYS  15 -15.419  -1.685  -5.329
  120    HG3  LYS  15           3HG      LYS  15 -13.877  -2.259  -5.969
  121    HD2  LYS  15           2HD      LYS  15 -13.293  -0.198  -4.129
  122    HD3  LYS  15           3HD      LYS  15 -14.484  -1.252  -3.362
  123    HE2  LYS  15           2HE      LYS  15 -12.729  -2.532  -2.819
  124    HE3  LYS  15           3HE      LYS  15 -12.768  -3.050  -4.504
  125    HZ1  LYS  15           3HZ      LYS  15 -11.172  -1.308  -5.032
  126    HZ2  LYS  15           1HZ      LYS  15 -10.554  -2.358  -3.858
  127    HZ3  LYS  15           2HZ      LYS  15 -11.126  -0.830  -3.410
  128    H    ARG  16           H        ARG  16 -13.529   1.875  -7.401
  129    HA   ARG  16           HA       ARG  16 -15.265   3.037  -9.391
  130    HB2  ARG  16           2HB      ARG  16 -13.645   3.997  -7.129
  131    HB3  ARG  16           3HB      ARG  16 -13.724   5.105  -8.493
  132    HG2  ARG  16           2HG      ARG  16 -16.141   3.909  -7.160
  133    HG3  ARG  16           3HG      ARG  16 -15.455   5.482  -6.747
  134    HD2  ARG  16           2HD      ARG  16 -15.672   5.790  -9.394
  135    HD3  ARG  16           3HD      ARG  16 -16.980   4.635  -9.139
  136    HE   ARG  16           HE       ARG  16 -18.199   6.317  -8.203
  137   HH11  ARG  16          1HH1      ARG  16 -14.830   7.188  -8.077
  138   HH12  ARG  16          2HH1      ARG  16 -15.130   8.775  -7.449
  139   HH21  ARG  16          1HH2      ARG  16 -18.606   8.403  -7.375
  140   HH22  ARG  16          2HH2      ARG  16 -17.278   9.464  -7.049
  141    H    ILE  17           H        ILE  17 -11.984   2.040  -9.189
  142    HA   ILE  17           HA       ILE  17 -10.932   3.758 -11.211
  143    HB   ILE  17           HB       ILE  17  -9.103   1.942 -11.301
  144   HG12  ILE  17          2HG1      ILE  17 -10.943   0.457  -9.937
  145   HG13  ILE  17          3HG1      ILE  17  -9.212   0.136  -9.946
  146   HG21  ILE  17          1HG2      ILE  17  -8.703   4.003 -10.189
  147   HG22  ILE  17          2HG2      ILE  17  -9.723   3.540  -8.828
  148   HG23  ILE  17          3HG2      ILE  17  -8.185   2.720  -9.096
  149   HD11  ILE  17          3HD1      ILE  17 -10.532   1.890  -7.899
  150   HD12  ILE  17          1HD1      ILE  17 -10.332   0.150  -7.696
  151   HD13  ILE  17          2HD1      ILE  17  -8.915   1.188  -7.857
  152    H    SER  18           H        SER  18 -12.374   0.550 -11.176
  153    HA   SER  18           HA       SER  18 -11.700  -0.268 -13.763
  154    HB2  SER  18           2HB      SER  18 -12.611  -1.975 -12.484
  155    HB3  SER  18           3HB      SER  18 -13.909  -0.957 -11.861
  156    HG   SER  18           HG       SER  18 -15.056  -1.285 -13.652
  157    H    VAL  19           H        VAL  19 -14.758   1.206 -12.660
  158    HA   VAL  19           HA       VAL  19 -15.863   1.552 -15.214
  159    HB   VAL  19           HB       VAL  19 -17.257   1.682 -13.241
  160   HG11  VAL  19          1HG1      VAL  19 -17.144   3.487 -11.657
  161   HG12  VAL  19          2HG1      VAL  19 -15.552   2.735 -11.773
  162   HG13  VAL  19          3HG1      VAL  19 -15.863   4.272 -12.580
  163   HG21  VAL  19          3HG2      VAL  19 -18.005   2.869 -15.244
  164   HG22  VAL  19          1HG2      VAL  19 -18.549   3.684 -13.777
  165   HG23  VAL  19          2HG2      VAL  19 -17.185   4.329 -14.690
  166    H    LYS  20           H        LYS  20 -13.835   3.665 -13.242
  167    HA   LYS  20           HA       LYS  20 -14.018   5.964 -14.855
  168    HB2  LYS  20           2HB      LYS  20 -13.135   5.938 -12.536
  169    HB3  LYS  20           3HB      LYS  20 -11.706   5.089 -13.112
  170    HG2  LYS  20           2HG      LYS  20 -11.096   6.989 -14.486
  171    HG3  LYS  20           3HG      LYS  20 -12.565   7.838 -13.998
  172    HD2  LYS  20           2HD      LYS  20 -11.776   7.744 -11.647
  173    HD3  LYS  20           3HD      LYS  20 -10.270   7.019 -12.216
  174    HE2  LYS  20           2HE      LYS  20 -11.312   9.697 -13.126
  175    HE3  LYS  20           3HE      LYS  20 -10.151   9.483 -11.817
  176    HZ1  LYS  20           3HZ      LYS  20  -8.619   8.469 -13.366
  177    HZ2  LYS  20           1HZ      LYS  20  -9.072   9.999 -13.928
  178    HZ3  LYS  20           2HZ      LYS  20  -9.739   8.611 -14.626
  179    H    LYS  21           H        LYS  21 -11.829   3.195 -14.924
  180    HA   LYS  21           HA       LYS  21 -10.043   4.174 -16.861
  181    HB2  LYS  21           2HB      LYS  21 -10.790   1.442 -15.887
  182    HB3  LYS  21           3HB      LYS  21  -9.757   1.604 -17.301
  183    HG2  LYS  21           2HG      LYS  21  -9.158   2.888 -14.648
  184    HG3  LYS  21           3HG      LYS  21  -8.554   1.302 -15.133
  185    HD2  LYS  21           2HD      LYS  21  -8.127   3.608 -16.968
  186    HD3  LYS  21           3HD      LYS  21  -7.132   3.494 -15.515
  187    HE2  LYS  21           2HE      LYS  21  -5.865   2.346 -17.073
  188    HE3  LYS  21           3HE      LYS  21  -6.750   1.045 -16.278
  189    HZ1  LYS  21           3HZ      LYS  21  -7.857   2.297 -18.699
  190    HZ2  LYS  21           1HZ      LYS  21  -8.106   0.738 -18.092
  191    HZ3  LYS  21           2HZ      LYS  21  -6.642   1.129 -18.843
  192    H    LYS  22           H        LYS  22 -13.062   2.360 -17.146
  193    HA   LYS  22           HA       LYS  22 -12.945   1.886 -19.916
  194    HB2  LYS  22           2HB      LYS  22 -15.397   2.239 -18.182
  195    HB3  LYS  22           3HB      LYS  22 -15.353   1.476 -19.766
  196    HG2  LYS  22           2HG      LYS  22 -13.603   0.398 -17.616
  197    HG3  LYS  22           3HG      LYS  22 -15.333   0.051 -17.564
  198    HD2  LYS  22           2HD      LYS  22 -15.275  -1.207 -19.484
  199    HD3  LYS  22           3HD      LYS  22 -13.872  -0.352 -20.130
  200    HE2  LYS  22           2HE      LYS  22 -12.387  -1.526 -18.719
  201    HE3  LYS  22           3HE      LYS  22 -13.701  -2.134 -17.714
  202    HZ1  LYS  22           3HZ      LYS  22 -14.392  -3.140 -20.070
  203    HZ2  LYS  22           1HZ      LYS  22 -13.400  -3.960 -18.971
  204    HZ3  LYS  22           2HZ      LYS  22 -12.712  -3.113 -20.264
  205    H    GLN  23           H        GLN  23 -13.559   4.740 -18.123
  206    HA   GLN  23           HA       GLN  23 -15.061   6.091 -20.169
  207    HB2  GLN  23           2HB      GLN  23 -13.642   7.215 -17.748
  208    HB3  GLN  23           3HB      GLN  23 -14.802   8.074 -18.752
  209    HG2  GLN  23           2HG      GLN  23 -15.685   5.519 -17.552
  210    HG3  GLN  23           3HG      GLN  23 -15.468   6.893 -16.469
  211   HE21  GLN  23          1HE2      GLN  23 -17.842   6.417 -16.259
  212   HE22  GLN  23          2HE2      GLN  23 -18.905   7.256 -17.331
  213    H    GLU  24           H        GLU  24 -13.694   5.824 -21.996
  214    HA   GLU  24           HA       GLU  24 -11.023   6.857 -22.010
  215    HB2  GLU  24           2HB      GLU  24 -12.155   5.047 -23.542
  216    HB3  GLU  24           3HB      GLU  24 -12.609   6.440 -24.514
  217    HG2  GLU  24           2HG      GLU  24 -10.099   7.048 -24.382
  218    HG3  GLU  24           3HG      GLU  24  -9.889   5.359 -23.922
  219    H    GLN  25           H        GLN  25 -10.495   8.929 -22.057
  220    HA   GLN  25           HA       GLN  25 -12.414  10.976 -22.596
  221    HB2  GLN  25           2HB      GLN  25  -9.547  10.881 -21.802
  222    HB3  GLN  25           3HB      GLN  25 -10.143  12.369 -22.526
  223    HG2  GLN  25           2HG      GLN  25 -11.595  12.794 -20.782
  224    HG3  GLN  25           3HG      GLN  25 -11.624  11.110 -20.261
  225   HE21  GLN  25          1HE2      GLN  25 -10.962  11.261 -18.209
  226   HE22  GLN  25          2HE2      GLN  25  -9.454  11.934 -17.703
  227    HA   PRO  26           HA       PRO  26 -11.819  11.756 -26.870
  228    HB2  PRO  26           2HB      PRO  26 -11.865  14.468 -26.986
  229    HB3  PRO  26           3HB      PRO  26 -13.306  13.495 -26.665
  230    HG2  PRO  26           2HG      PRO  26 -11.536  14.953 -24.740
  231    HG3  PRO  26           3HG      PRO  26 -13.306  14.857 -24.779
  232    HD2  PRO  26           2HD      PRO  26 -11.803  13.358 -23.098
  233    HD3  PRO  26           3HD      PRO  26 -13.341  12.784 -23.772
  Start of MODEL    2
    1    H1   VAL   1           H        VAL   1   1.807   0.001   0.856
    2    HA   VAL   1           HA       VAL   1   1.735   0.811  -1.856
    3    HB   VAL   1           HB       VAL   1   3.955  -0.596  -0.364
    4   HG11  VAL   1          1HG1      VAL   1   4.818  -0.763  -2.431
    5   HG12  VAL   1          2HG1      VAL   1   3.707   0.433  -3.102
    6   HG13  VAL   1          3HG1      VAL   1   5.154   0.958  -2.240
    7   HG21  VAL   1          3HG2      VAL   1   4.699   2.012  -0.602
    8   HG22  VAL   1          1HG2      VAL   1   2.960   2.162  -0.352
    9   HG23  VAL   1          2HG2      VAL   1   3.950   1.307   0.831
   10    H    SER   2           H        SER   2   1.616  -2.296  -0.283
   11    HA   SER   2           HA       SER   2   2.169  -3.798  -2.677
   12    HB2  SER   2           2HB      SER   2   2.015  -5.714  -1.349
   13    HB3  SER   2           3HB      SER   2   2.577  -4.499  -0.202
   14    HG   SER   2           HG       SER   2   0.582  -4.391   0.681
   15    H    VAL   3           H        VAL   3  -0.577  -2.352  -1.236
   16    HA   VAL   3           HA       VAL   3  -2.520  -4.077  -2.495
   17    HB   VAL   3           HB       VAL   3  -2.966  -2.925  -0.329
   18   HG11  VAL   3          1HG1      VAL   3  -1.866  -0.770  -1.083
   19   HG12  VAL   3          2HG1      VAL   3  -3.358  -0.429  -1.960
   20   HG13  VAL   3          3HG1      VAL   3  -3.387  -0.606  -0.205
   21   HG21  VAL   3          3HG2      VAL   3  -4.897  -2.166  -2.518
   22   HG22  VAL   3          1HG2      VAL   3  -4.768  -3.775  -1.808
   23   HG23  VAL   3          2HG2      VAL   3  -5.268  -2.409  -0.811
   24    H    ASP   4           H        ASP   4  -0.765  -1.231  -3.307
   25    HA   ASP   4           HA       ASP   4  -2.496  -0.026  -5.145
   26    HB2  ASP   4           2HB      ASP   4   0.188   0.309  -4.302
   27    HB3  ASP   4           3HB      ASP   4   0.212   0.200  -6.060
   28    HA   PRO   5           HA       PRO   5  -0.358  -2.754  -8.531
   29    HB2  PRO   5           2HB      PRO   5   1.025  -4.919  -7.653
   30    HB3  PRO   5           3HB      PRO   5   1.770  -3.334  -7.889
   31    HG2  PRO   5           2HG      PRO   5   0.800  -4.614  -5.363
   32    HG3  PRO   5           3HG      PRO   5   2.291  -3.698  -5.652
   33    HD2  PRO   5           2HD      PRO   5   0.118  -2.606  -4.463
   34    HD3  PRO   5           3HD      PRO   5   1.222  -1.663  -5.484
   35    H    PHE   6           H        PHE   6  -1.634  -4.230  -5.617
   36    HA   PHE   6           HA       PHE   6  -2.587  -6.627  -6.724
   37    HB2  PHE   6           2HB      PHE   6  -2.420  -5.915  -4.248
   38    HB3  PHE   6           3HB      PHE   6  -3.995  -5.170  -4.500
   39    HD1  PHE   6           HD1      PHE   6  -2.157  -8.363  -4.492
   40    HD2  PHE   6           HD2      PHE   6  -5.969  -6.474  -4.610
   41    HE1  PHE   6           HE1      PHE   6  -3.241 -10.532  -4.074
   42    HE2  PHE   6           HE2      PHE   6  -7.059  -8.639  -4.191
   43    HZ   PHE   6           HZ       PHE   6  -5.695 -10.672  -3.922
   44    H    TYR   7           H        TYR   7  -4.349  -3.597  -6.064
   45    HA   TYR   7           HA       TYR   7  -6.667  -4.470  -7.504
   46    HB2  TYR   7           2HB      TYR   7  -7.687  -2.611  -6.671
   47    HB3  TYR   7           3HB      TYR   7  -6.325  -2.654  -5.558
   48    HD1  TYR   7           HD1      TYR   7  -4.457  -1.081  -5.817
   49    HD2  TYR   7           HD2      TYR   7  -7.877  -0.888  -8.341
   50    HE1  TYR   7           HE1      TYR   7  -3.799   1.181  -6.525
   51    HE2  TYR   7           HE2      TYR   7  -7.228   1.374  -9.057
   52    HH   TYR   7           HH       TYR   7  -4.167   2.699  -8.413
   53    H    GLU   8           H        GLU   8  -3.715  -2.963  -8.345
   54    HA   GLU   8           HA       GLU   8  -4.663  -1.617 -10.696
   55    HB2  GLU   8           2HB      GLU   8  -2.028  -2.109  -9.418
   56    HB3  GLU   8           3HB      GLU   8  -2.027  -1.790 -11.147
   57    HG2  GLU   8           2HG      GLU   8  -3.427   0.008  -9.199
   58    HG3  GLU   8           3HG      GLU   8  -1.717   0.190  -9.586
   59    H    MET   9           H        MET   9  -3.051  -4.686 -10.005
   60    HA   MET   9           HA       MET   9  -2.912  -5.421 -12.789
   61    HB2  MET   9           2HB      MET   9  -1.956  -7.499 -12.008
   62    HB3  MET   9           3HB      MET   9  -1.213  -6.161 -11.141
   63    HG2  MET   9           2HG      MET   9  -3.039  -6.663  -9.358
   64    HG3  MET   9           3HG      MET   9  -3.117  -8.232 -10.157
   65    HE1  MET   9           3HE      MET   9  -2.057  -9.935  -9.780
   66    HE2  MET   9           1HE      MET   9  -0.297 -10.052  -9.770
   67    HE3  MET   9           2HE      MET   9  -1.196 -10.162  -8.257
   68    H    LEU  10           H        LEU  10  -4.919  -6.224 -10.000
   69    HA   LEU  10           HA       LEU  10  -6.461  -8.176 -11.452
   70    HB2  LEU  10           2HB      LEU  10  -6.672  -6.940  -8.727
   71    HB3  LEU  10           3HB      LEU  10  -7.945  -7.978  -9.366
   72    HG   LEU  10           HG       LEU  10  -5.081  -8.863  -9.066
   73   HD11  LEU  10          1HD1      LEU  10  -5.730  -9.967  -7.025
   74   HD12  LEU  10          2HD1      LEU  10  -7.379  -9.360  -7.180
   75   HD13  LEU  10          3HD1      LEU  10  -6.051  -8.239  -6.883
   76   HD21  LEU  10          3HD2      LEU  10  -6.269 -10.192 -10.649
   77   HD22  LEU  10          1HD2      LEU  10  -7.676 -10.299  -9.591
   78   HD23  LEU  10          2HD2      LEU  10  -6.176 -11.113  -9.147
   79    H    ALA  11           H        ALA  11  -8.203  -7.815 -12.660
   80    HA   ALA  11           HA       ALA  11  -9.163  -5.123 -13.025
   81    HB1  ALA  11           1HB      ALA  11  -9.167  -6.160 -15.051
   82    HB2  ALA  11           2HB      ALA  11  -9.576  -7.735 -14.370
   83    HB3  ALA  11           3HB      ALA  11 -10.826  -6.506 -14.561
   84    H    ALA  12           H        ALA  12 -10.055  -7.843 -11.139
   85    HA   ALA  12           HA       ALA  12 -12.834  -7.153 -10.860
   86    HB1  ALA  12           1HB      ALA  12 -11.271  -9.399 -10.305
   87    HB2  ALA  12           2HB      ALA  12 -11.845  -8.828  -8.737
   88    HB3  ALA  12           3HB      ALA  12 -13.000  -9.202 -10.017
   89    H    ARG  13           H        ARG  13  -9.899  -6.772  -8.913
   90    HA   ARG  13           HA       ARG  13 -11.091  -5.704  -6.617
   91    HB2  ARG  13           2HB      ARG  13  -8.400  -5.920  -7.722
   92    HB3  ARG  13           3HB      ARG  13  -8.627  -4.449  -6.785
   93    HG2  ARG  13           2HG      ARG  13  -9.325  -7.186  -5.756
   94    HG3  ARG  13           3HG      ARG  13  -7.752  -6.423  -5.513
   95    HD2  ARG  13           2HD      ARG  13  -9.263  -4.432  -4.643
   96    HD3  ARG  13           3HD      ARG  13 -10.402  -5.744  -4.348
   97    HE   ARG  13           HE       ARG  13  -9.055  -6.499  -2.644
   98   HH11  ARG  13          1HH1      ARG  13  -7.359  -4.099  -4.509
   99   HH12  ARG  13          2HH1      ARG  13  -6.050  -3.960  -3.383
  100   HH21  ARG  13          1HH2      ARG  13  -7.338  -6.325  -1.153
  101   HH22  ARG  13          2HH2      ARG  13  -6.039  -5.227  -1.474
  102    H    LYS  14           H        LYS  14 -10.612  -4.349  -9.727
  103    HA   LYS  14           HA       LYS  14 -10.538  -1.603  -9.009
  104    HB2  LYS  14           2HB      LYS  14 -11.402  -2.927 -11.586
  105    HB3  LYS  14           3HB      LYS  14 -11.118  -1.202 -11.386
  106    HG2  LYS  14           2HG      LYS  14  -8.790  -1.572 -10.961
  107    HG3  LYS  14           3HG      LYS  14  -9.028  -3.321 -10.937
  108    HD2  LYS  14           2HD      LYS  14  -8.197  -2.958 -13.070
  109    HD3  LYS  14           3HD      LYS  14  -9.942  -2.976 -13.341
  110    HE2  LYS  14           2HE      LYS  14  -9.247  -1.110 -14.533
  111    HE3  LYS  14           3HE      LYS  14  -9.789  -0.422 -13.003
  112    HZ1  LYS  14           3HZ      LYS  14  -7.586  -0.142 -12.283
  113    HZ2  LYS  14           1HZ      LYS  14  -7.596   0.402 -13.885
  114    HZ3  LYS  14           2HZ      LYS  14  -6.957  -1.119 -13.513
  115    H    LYS  15           H        LYS  15 -12.142  -0.932  -7.676
  116    HA   LYS  15           HA       LYS  15 -14.890  -1.690  -8.116
  117    HB2  LYS  15           2HB      LYS  15 -13.554   0.170  -6.152
  118    HB3  LYS  15           3HB      LYS  15 -15.297  -0.055  -6.216
  119    HG2  LYS  15           2HG      LYS  15 -15.179  -1.943  -5.058
  120    HG3  LYS  15           3HG      LYS  15 -13.909  -2.586  -6.101
  121    HD2  LYS  15           2HD      LYS  15 -13.002  -2.453  -3.908
  122    HD3  LYS  15           3HD      LYS  15 -12.285  -1.136  -4.839
  123    HE2  LYS  15           2HE      LYS  15 -14.715  -0.235  -3.627
  124    HE3  LYS  15           3HE      LYS  15 -13.694  -0.983  -2.400
  125    HZ1  LYS  15           3HZ      LYS  15 -13.216   1.417  -4.005
  126    HZ2  LYS  15           1HZ      LYS  15 -11.876   0.477  -3.576
  127    HZ3  LYS  15           2HZ      LYS  15 -12.876   1.123  -2.374
  128    H    ARG  16           H        ARG  16 -13.789   1.602  -7.463
  129    HA   ARG  16           HA       ARG  16 -15.698   2.642  -9.360
  130    HB2  ARG  16           2HB      ARG  16 -14.907   3.605  -7.025
  131    HB3  ARG  16           3HB      ARG  16 -13.678   4.380  -8.015
  132    HG2  ARG  16           2HG      ARG  16 -16.444   4.632  -8.989
  133    HG3  ARG  16           3HG      ARG  16 -16.076   5.463  -7.476
  134    HD2  ARG  16           2HD      ARG  16 -13.922   5.969  -9.214
  135    HD3  ARG  16           3HD      ARG  16 -15.392   6.192 -10.162
  136    HE   ARG  16           HE       ARG  16 -15.892   8.048  -8.905
  137   HH11  ARG  16          1HH1      ARG  16 -13.320   6.264  -7.383
  138   HH12  ARG  16          2HH1      ARG  16 -12.969   7.503  -6.224
  139   HH21  ARG  16          1HH2      ARG  16 -15.440   9.688  -7.385
  140   HH22  ARG  16          2HH2      ARG  16 -14.176   9.451  -6.226
  141    H    ILE  17           H        ILE  17 -12.353   1.865  -9.327
  142    HA   ILE  17           HA       ILE  17 -11.515   3.653 -11.387
  143    HB   ILE  17           HB       ILE  17  -9.584   1.956 -11.585
  144   HG12  ILE  17          2HG1      ILE  17 -11.259   0.351 -10.142
  145   HG13  ILE  17          3HG1      ILE  17  -9.514   0.137 -10.245
  146   HG21  ILE  17          1HG2      ILE  17  -9.258   4.031 -10.475
  147   HG22  ILE  17          2HG2      ILE  17 -10.176   3.495  -9.068
  148   HG23  ILE  17          3HG2      ILE  17  -8.605   2.776  -9.423
  149   HD11  ILE  17          3HD1      ILE  17  -9.173   1.207  -8.167
  150   HD12  ILE  17          1HD1      ILE  17 -10.839   1.784  -8.112
  151   HD13  ILE  17          2HD1      ILE  17 -10.495   0.062  -7.940
  152    H    SER  18           H        SER  18 -12.752   0.361 -11.308
  153    HA   SER  18           HA       SER  18 -12.162  -0.397 -13.933
  154    HB2  SER  18           2HB      SER  18 -12.898  -2.176 -12.651
  155    HB3  SER  18           3HB      SER  18 -14.199  -1.242 -11.912
  156    HG   SER  18           HG       SER  18 -15.448  -1.573 -13.646
  157    H    VAL  19           H        VAL  19 -15.251   0.863 -12.664
  158    HA   VAL  19           HA       VAL  19 -16.505   1.156 -15.152
  159    HB   VAL  19           HB       VAL  19 -17.799   1.190 -13.109
  160   HG11  VAL  19          1HG1      VAL  19 -16.535   3.857 -12.498
  161   HG12  VAL  19          2HG1      VAL  19 -17.713   2.986 -11.515
  162   HG13  VAL  19          3HG1      VAL  19 -16.086   2.338 -11.724
  163   HG21  VAL  19          3HG2      VAL  19 -19.355   2.805 -13.720
  164   HG22  VAL  19          1HG2      VAL  19 -18.113   3.952 -14.223
  165   HG23  VAL  19          2HG2      VAL  19 -18.460   2.536 -15.216
  166    H    LYS  20           H        LYS  20 -14.513   3.383 -13.272
  167    HA   LYS  20           HA       LYS  20 -14.916   5.631 -14.966
  168    HB2  LYS  20           2HB      LYS  20 -14.157   5.848 -12.637
  169    HB3  LYS  20           3HB      LYS  20 -12.653   5.034 -13.049
  170    HG2  LYS  20           2HG      LYS  20 -13.303   7.409 -14.663
  171    HG3  LYS  20           3HG      LYS  20 -12.940   7.703 -12.961
  172    HD2  LYS  20           2HD      LYS  20 -11.138   5.894 -14.483
  173    HD3  LYS  20           3HD      LYS  20 -11.038   7.627 -14.805
  174    HE2  LYS  20           2HE      LYS  20 -10.382   8.117 -12.628
  175    HE3  LYS  20           3HE      LYS  20 -10.999   6.592 -11.995
  176    HZ1  LYS  20           3HZ      LYS  20  -8.999   6.106 -13.934
  177    HZ2  LYS  20           1HZ      LYS  20  -9.029   5.660 -12.303
  178    HZ3  LYS  20           2HZ      LYS  20  -8.403   7.164 -12.757
  179    H    LYS  21           H        LYS  21 -12.976   2.818 -15.200
  180    HA   LYS  21           HA       LYS  21 -10.986   3.934 -16.951
  181    HB2  LYS  21           2HB      LYS  21 -10.558   1.971 -15.480
  182    HB3  LYS  21           3HB      LYS  21 -11.680   1.032 -16.456
  183    HG2  LYS  21           2HG      LYS  21  -9.414   0.538 -17.103
  184    HG3  LYS  21           3HG      LYS  21 -10.237   1.384 -18.416
  185    HD2  LYS  21           2HD      LYS  21  -9.070   3.374 -18.017
  186    HD3  LYS  21           3HD      LYS  21  -8.576   2.864 -16.401
  187    HE2  LYS  21           2HE      LYS  21  -7.357   0.952 -17.717
  188    HE3  LYS  21           3HE      LYS  21  -7.477   2.083 -19.064
  189    HZ1  LYS  21           3HZ      LYS  21  -5.390   2.339 -17.878
  190    HZ2  LYS  21           1HZ      LYS  21  -6.217   2.654 -16.436
  191    HZ3  LYS  21           2HZ      LYS  21  -6.329   3.738 -17.729
  192    H    LYS  22           H        LYS  22 -13.889   1.939 -17.331
  193    HA   LYS  22           HA       LYS  22 -13.676   1.489 -20.091
  194    HB2  LYS  22           2HB      LYS  22 -16.076   1.623 -18.266
  195    HB3  LYS  22           3HB      LYS  22 -16.186   1.164 -19.960
  196    HG2  LYS  22           2HG      LYS  22 -14.903  -0.789 -19.614
  197    HG3  LYS  22           3HG      LYS  22 -14.407  -0.262 -18.004
  198    HD2  LYS  22           2HD      LYS  22 -16.523  -0.669 -17.093
  199    HD3  LYS  22           3HD      LYS  22 -17.299  -0.697 -18.678
  200    HE2  LYS  22           2HE      LYS  22 -17.171  -2.945 -17.858
  201    HE3  LYS  22           3HE      LYS  22 -16.030  -2.775 -19.192
  202    HZ1  LYS  22           3HZ      LYS  22 -15.101  -3.990 -17.291
  203    HZ2  LYS  22           1HZ      LYS  22 -15.305  -2.623 -16.316
  204    HZ3  LYS  22           2HZ      LYS  22 -14.235  -2.576 -17.625
  205    H    GLN  23           H        GLN  23 -14.475   4.316 -18.329
  206    HA   GLN  23           HA       GLN  23 -16.058   5.614 -20.302
  207    HB2  GLN  23           2HB      GLN  23 -14.398   6.815 -18.079
  208    HB3  GLN  23           3HB      GLN  23 -15.639   7.654 -19.000
  209    HG2  GLN  23           2HG      GLN  23 -16.420   5.158 -17.612
  210    HG3  GLN  23           3HG      GLN  23 -16.105   6.583 -16.623
  211   HE21  GLN  23          1HE2      GLN  23 -18.530   5.805 -16.367
  212   HE22  GLN  23          2HE2      GLN  23 -19.654   6.721 -17.306
  213    H    GLU  24           H        GLU  24 -15.378   7.612 -21.439
  214    HA   GLU  24           HA       GLU  24 -13.124   7.103 -23.071
  215    HB2  GLU  24           2HB      GLU  24 -15.254   8.421 -23.640
  216    HB3  GLU  24           3HB      GLU  24 -14.483   9.778 -22.831
  217    HG2  GLU  24           2HG      GLU  24 -12.793   9.927 -24.427
  218    HG3  GLU  24           3HG      GLU  24 -13.104   8.305 -25.041
  219    H    GLN  25           H        GLN  25 -11.053   7.574 -22.768
  220    HA   GLN  25           HA       GLN  25 -10.225   9.036 -20.430
  221    HB2  GLN  25           2HB      GLN  25  -8.032   8.311 -20.926
  222    HB3  GLN  25           3HB      GLN  25  -9.081   6.972 -21.374
  223    HG2  GLN  25           2HG      GLN  25  -8.976   8.190 -23.731
  224    HG3  GLN  25           3HG      GLN  25  -7.440   8.753 -23.073
  225   HE21  GLN  25          1HE2      GLN  25  -5.823   7.558 -23.744
  226   HE22  GLN  25          2HE2      GLN  25  -5.838   5.846 -23.970
  227    HA   PRO  26           HA       PRO  26  -9.598  13.008 -22.187
  228    HB2  PRO  26           2HB      PRO  26  -7.433  13.862 -20.790
  229    HB3  PRO  26           3HB      PRO  26  -9.043  13.721 -20.075
  230    HG2  PRO  26           2HG      PRO  26  -6.724  11.836 -19.906
  231    HG3  PRO  26           3HG      PRO  26  -7.836  12.359 -18.628
  232    HD2  PRO  26           2HD      PRO  26  -8.082   9.974 -19.887
  233    HD3  PRO  26           3HD      PRO  26  -9.482  10.883 -19.282
  Start of MODEL    3
    1    H1   VAL   1           H        VAL   1   2.293   0.395   0.161
    2    HA   VAL   1           HA       VAL   1   2.330   0.606  -2.639
    3    HB   VAL   1           HB       VAL   1   4.609  -0.275  -2.532
    4   HG11  VAL   1          1HG1      VAL   1   5.469   1.596  -1.589
    5   HG12  VAL   1          2HG1      VAL   1   3.770   2.072  -1.554
    6   HG13  VAL   1          3HG1      VAL   1   4.532   1.413  -0.106
    7   HG21  VAL   1          3HG2      VAL   1   4.524  -2.048  -1.008
    8   HG22  VAL   1          1HG2      VAL   1   5.484  -0.818  -0.185
    9   HG23  VAL   1          2HG2      VAL   1   3.791  -1.052   0.249
   10    H    SER   2           H        SER   2   1.867  -2.125  -0.509
   11    HA   SER   2           HA       SER   2   2.188  -4.092  -2.588
   12    HB2  SER   2           2HB      SER   2   1.289  -4.213   0.285
   13    HB3  SER   2           3HB      SER   2   1.191  -5.621  -0.772
   14    HG   SER   2           HG       SER   2   3.273  -5.862  -0.619
   15    H    VAL   3           H        VAL   3  -0.339  -2.095  -1.434
   16    HA   VAL   3           HA       VAL   3  -2.496  -3.784  -2.351
   17    HB   VAL   3           HB       VAL   3  -3.962  -1.910  -1.788
   18   HG11  VAL   3          1HG1      VAL   3  -1.870  -2.614   0.260
   19   HG12  VAL   3          2HG1      VAL   3  -3.341  -1.717   0.645
   20   HG13  VAL   3          3HG1      VAL   3  -3.448  -3.363   0.019
   21   HG21  VAL   3          3HG2      VAL   3  -3.014   0.100  -2.222
   22   HG22  VAL   3          1HG2      VAL   3  -2.563  -0.003  -0.520
   23   HG23  VAL   3          2HG2      VAL   3  -1.398  -0.441  -1.769
   24    H    ASP   4           H        ASP   4  -0.448  -1.356  -3.674
   25    HA   ASP   4           HA       ASP   4  -2.072  -0.313  -5.699
   26    HB2  ASP   4           2HB      ASP   4   0.657  -0.154  -4.940
   27    HB3  ASP   4           3HB      ASP   4   0.616  -0.568  -6.652
   28    HA   PRO   5           HA       PRO   5  -0.338  -3.843  -8.529
   29    HB2  PRO   5           2HB      PRO   5   0.804  -5.959  -7.270
   30    HB3  PRO   5           3HB      PRO   5   1.722  -4.542  -7.793
   31    HG2  PRO   5           2HG      PRO   5   0.667  -5.218  -5.074
   32    HG3  PRO   5           3HG      PRO   5   2.247  -4.552  -5.528
   33    HD2  PRO   5           2HD      PRO   5   0.241  -3.014  -4.558
   34    HD3  PRO   5           3HD      PRO   5   1.425  -2.409  -5.735
   35    H    PHE   6           H        PHE   6  -1.700  -4.618  -5.389
   36    HA   PHE   6           HA       PHE   6  -2.956  -7.040  -6.054
   37    HB2  PHE   6           2HB      PHE   6  -2.628  -5.911  -3.740
   38    HB3  PHE   6           3HB      PHE   6  -4.140  -5.086  -4.102
   39    HD1  PHE   6           HD2      PHE   6  -2.572  -8.306  -3.358
   40    HD2  PHE   6           HD1      PHE   6  -6.231  -6.276  -4.139
   41    HE1  PHE   6           HE2      PHE   6  -3.826 -10.261  -2.545
   42    HE2  PHE   6           HE1      PHE   6  -7.491  -8.227  -3.326
   43    HZ   PHE   6           HZ       PHE   6  -6.289 -10.224  -2.529
   44    H    TYR   7           H        TYR   7  -4.342  -3.757  -5.891
   45    HA   TYR   7           HA       TYR   7  -6.789  -4.574  -7.132
   46    HB2  TYR   7           2HB      TYR   7  -7.556  -2.500  -6.602
   47    HB3  TYR   7           3HB      TYR   7  -6.151  -2.497  -5.543
   48    HD1  TYR   7           HD1      TYR   7  -4.114  -1.254  -6.192
   49    HD2  TYR   7           HD2      TYR   7  -7.680  -1.053  -8.504
   50    HE1  TYR   7           HE1      TYR   7  -3.261   0.757  -7.322
   51    HE2  TYR   7           HE2      TYR   7  -6.837   0.958  -9.641
   52    HH   TYR   7           HH       TYR   7  -4.582   1.985 -10.135
   53    H    GLU   8           H        GLU   8  -3.710  -3.643  -8.269
   54    HA   GLU   8           HA       GLU   8  -4.561  -2.586 -10.797
   55    HB2  GLU   8           2HB      GLU   8  -1.968  -3.222  -9.497
   56    HB3  GLU   8           3HB      GLU   8  -1.992  -3.203 -11.255
   57    HG2  GLU   8           2HG      GLU   8  -3.033  -0.924  -9.604
   58    HG3  GLU   8           3HG      GLU   8  -1.346  -1.052 -10.099
   59    H    MET   9           H        MET   9  -3.339  -5.691  -9.627
   60    HA   MET   9           HA       MET   9  -3.428  -6.889 -12.249
   61    HB2  MET   9           2HB      MET   9  -2.748  -8.936 -11.123
   62    HB3  MET   9           3HB      MET   9  -1.755  -7.590 -10.583
   63    HG2  MET   9           2HG      MET   9  -3.504  -7.452  -8.652
   64    HG3  MET   9           3HG      MET   9  -3.836  -9.122  -9.106
   65    HE1  MET   9           3HE      MET   9  -2.276 -10.835  -6.951
   66    HE2  MET   9           1HE      MET   9  -2.850 -10.892  -8.618
   67    HE3  MET   9           2HE      MET   9  -1.151 -11.201  -8.261
   68    H    LEU  10           H        LEU  10  -5.374  -6.969  -9.302
   69    HA   LEU  10           HA       LEU  10  -7.234  -8.887 -10.384
   70    HB2  LEU  10           2HB      LEU  10  -7.080  -7.280  -7.863
   71    HB3  LEU  10           3HB      LEU  10  -8.561  -8.133  -8.293
   72    HG   LEU  10           HG       LEU  10  -6.367  -9.948  -8.489
   73   HD11  LEU  10          1HD1      LEU  10  -5.921  -9.906  -5.944
   74   HD12  LEU  10          2HD1      LEU  10  -6.416  -8.217  -6.049
   75   HD13  LEU  10          3HD1      LEU  10  -5.037  -8.792  -6.986
   76   HD21  LEU  10          3HD2      LEU  10  -8.616 -10.670  -8.134
   77   HD22  LEU  10          1HD2      LEU  10  -8.750  -9.710  -6.660
   78   HD23  LEU  10          2HD2      LEU  10  -7.677 -11.110  -6.706
   79    H    ALA  11           H        ALA  11  -9.001  -8.476 -11.544
   80    HA   ALA  11           HA       ALA  11  -9.614  -5.762 -12.296
   81    HB1  ALA  11           1HB      ALA  11 -10.331  -6.745 -14.149
   82    HB2  ALA  11           2HB      ALA  11  -9.983  -8.319 -13.433
   83    HB3  ALA  11           3HB      ALA  11 -11.580  -7.598 -13.241
   84    H    ALA  12           H        ALA  12 -11.149  -8.320 -10.405
   85    HA   ALA  12           HA       ALA  12 -13.605  -6.989  -9.972
   86    HB1  ALA  12           1HB      ALA  12 -14.135  -8.946  -9.073
   87    HB2  ALA  12           2HB      ALA  12 -12.461  -9.466  -9.274
   88    HB3  ALA  12           3HB      ALA  12 -12.971  -8.699  -7.771
   89    H    ARG  13           H        ARG  13 -10.474  -6.559  -8.638
   90    HA   ARG  13           HA       ARG  13 -11.316  -5.378  -6.162
   91    HB2  ARG  13           2HB      ARG  13  -8.812  -6.086  -7.442
   92    HB3  ARG  13           3HB      ARG  13  -8.723  -4.493  -6.701
   93    HG2  ARG  13           2HG      ARG  13  -9.530  -7.045  -5.321
   94    HG3  ARG  13           3HG      ARG  13  -7.979  -6.218  -5.164
   95    HD2  ARG  13           2HD      ARG  13  -9.477  -4.185  -4.474
   96    HD3  ARG  13           3HD      ARG  13 -10.665  -5.438  -4.121
   97    HE   ARG  13           HE       ARG  13  -9.401  -6.099  -2.316
   98   HH11  ARG  13          1HH1      ARG  13  -7.580  -3.877  -4.283
   99   HH12  ARG  13          2HH1      ARG  13  -6.314  -3.679  -3.117
  100   HH21  ARG  13          1HH2      ARG  13  -7.740  -5.847  -0.773
  101   HH22  ARG  13          2HH2      ARG  13  -6.406  -4.801  -1.121
  102    H    LYS  14           H        LYS  14 -10.297  -4.190  -9.326
  103    HA   LYS  14           HA       LYS  14 -10.131  -1.465  -8.712
  104    HB2  LYS  14           2HB      LYS  14 -10.920  -2.791 -11.313
  105    HB3  LYS  14           3HB      LYS  14 -10.472  -1.099 -11.140
  106    HG2  LYS  14           2HG      LYS  14  -8.238  -1.707 -10.481
  107    HG3  LYS  14           3HG      LYS  14  -8.668  -3.419 -10.485
  108    HD2  LYS  14           2HD      LYS  14  -7.641  -3.193 -12.539
  109    HD3  LYS  14           3HD      LYS  14  -9.337  -2.953 -12.965
  110    HE2  LYS  14           2HE      LYS  14  -8.989  -0.511 -12.818
  111    HE3  LYS  14           3HE      LYS  14  -7.281  -0.798 -12.487
  112    HZ1  LYS  14           3HZ      LYS  14  -6.864  -1.148 -14.633
  113    HZ2  LYS  14           1HZ      LYS  14  -8.381  -0.464 -14.943
  114    HZ3  LYS  14           2HZ      LYS  14  -8.216  -2.144 -14.843
  115    H    LYS  15           H        LYS  15 -11.762  -0.601  -7.528
  116    HA   LYS  15           HA       LYS  15 -14.529  -1.084  -8.190
  117    HB2  LYS  15           2HB      LYS  15 -13.174   0.677  -6.149
  118    HB3  LYS  15           3HB      LYS  15 -14.919   0.636  -6.361
  119    HG2  LYS  15           2HG      LYS  15 -15.105  -1.225  -5.168
  120    HG3  LYS  15           3HG      LYS  15 -13.824  -2.024  -6.082
  121    HD2  LYS  15           2HD      LYS  15 -13.141  -1.915  -3.792
  122    HD3  LYS  15           3HD      LYS  15 -12.162  -0.764  -4.706
  123    HE2  LYS  15           2HE      LYS  15 -14.534   0.537  -3.785
  124    HE3  LYS  15           3HE      LYS  15 -13.762  -0.281  -2.428
  125    HZ1  LYS  15           3HZ      LYS  15 -11.639   0.820  -3.275
  126    HZ2  LYS  15           1HZ      LYS  15 -12.767   1.802  -2.484
  127    HZ3  LYS  15           2HZ      LYS  15 -12.658   1.830  -4.171
  128    H    ARG  16           H        ARG  16 -13.129   2.089  -7.511
  129    HA   ARG  16           HA       ARG  16 -14.761   3.278  -9.572
  130    HB2  ARG  16           2HB      ARG  16 -12.836   4.393  -7.540
  131    HB3  ARG  16           3HB      ARG  16 -13.578   5.402  -8.775
  132    HG2  ARG  16           2HG      ARG  16 -15.234   3.714  -6.934
  133    HG3  ARG  16           3HG      ARG  16 -14.671   5.320  -6.467
  134    HD2  ARG  16           2HD      ARG  16 -15.915   6.373  -8.133
  135    HD3  ARG  16           3HD      ARG  16 -16.100   4.887  -9.063
  136    HE   ARG  16           HE       ARG  16 -17.816   5.826  -7.006
  137   HH11  ARG  16          1HH1      ARG  16 -16.475   2.922  -8.381
  138   HH12  ARG  16          2HH1      ARG  16 -17.797   1.919  -7.881
  139   HH21  ARG  16          1HH2      ARG  16 -19.562   4.517  -6.343
  140   HH22  ARG  16          2HH2      ARG  16 -19.553   2.828  -6.723
  141    H    ILE  17           H        ILE  17 -11.532   2.147  -9.258
  142    HA   ILE  17           HA       ILE  17 -10.353   3.770 -11.288
  143    HB   ILE  17           HB       ILE  17  -8.604   1.876 -11.290
  144   HG12  ILE  17          2HG1      ILE  17 -10.543   0.502  -9.945
  145   HG13  ILE  17          3HG1      ILE  17  -8.829   0.106  -9.902
  146   HG21  ILE  17          1HG2      ILE  17  -9.219   3.552  -8.866
  147   HG22  ILE  17          2HG2      ILE  17  -7.713   2.660  -9.076
  148   HG23  ILE  17          3HG2      ILE  17  -8.143   3.942 -10.208
  149   HD11  ILE  17          3HD1      ILE  17 -10.124   1.958  -7.927
  150   HD12  ILE  17          1HD1      ILE  17 -10.002   0.216  -7.683
  151   HD13  ILE  17          2HD1      ILE  17  -8.539   1.191  -7.828
  152    H    SER  18           H        SER  18 -11.937   0.630 -11.224
  153    HA   SER  18           HA       SER  18 -11.232  -0.274 -13.774
  154    HB2  SER  18           2HB      SER  18 -12.251  -1.914 -12.491
  155    HB3  SER  18           3HB      SER  18 -13.513  -0.826 -11.913
  156    HG   SER  18           HG       SER  18 -14.655  -1.787 -13.400
  157    H    VAL  19           H        VAL  19 -14.253   1.351 -12.787
  158    HA   VAL  19           HA       VAL  19 -15.272   1.689 -15.377
  159    HB   VAL  19           HB       VAL  19 -16.712   1.924 -13.447
  160   HG11  VAL  19          1HG1      VAL  19 -16.560   3.753 -11.895
  161   HG12  VAL  19          2HG1      VAL  19 -14.999   2.931 -11.955
  162   HG13  VAL  19          3HG1      VAL  19 -15.223   4.464 -12.799
  163   HG21  VAL  19          3HG2      VAL  19 -16.514   4.576 -14.871
  164   HG22  VAL  19          1HG2      VAL  19 -17.278   3.132 -15.536
  165   HG23  VAL  19          2HG2      VAL  19 -17.942   3.895 -14.091
  166    H    LYS  20           H        LYS  20 -13.208   3.757 -13.395
  167    HA   LYS  20           HA       LYS  20 -13.235   5.979 -15.166
  168    HB2  LYS  20           2HB      LYS  20 -12.571   5.922 -12.684
  169    HB3  LYS  20           3HB      LYS  20 -11.009   5.337 -13.242
  170    HG2  LYS  20           2HG      LYS  20 -10.551   7.553 -13.169
  171    HG3  LYS  20           3HG      LYS  20 -11.196   7.468 -14.810
  172    HD2  LYS  20           2HD      LYS  20 -13.100   7.941 -12.573
  173    HD3  LYS  20           3HD      LYS  20 -12.049   9.270 -13.067
  174    HE2  LYS  20           2HE      LYS  20 -12.857   8.622 -15.468
  175    HE3  LYS  20           3HE      LYS  20 -14.196   7.870 -14.601
  176    HZ1  LYS  20           3HZ      LYS  20 -13.459  10.640 -13.964
  177    HZ2  LYS  20           1HZ      LYS  20 -14.966   9.878 -13.861
  178    HZ3  LYS  20           2HZ      LYS  20 -14.350  10.333 -15.369
  179    H    LYS  21           H        LYS  21 -11.597   2.971 -15.183
  180    HA   LYS  21           HA       LYS  21  -9.381   3.826 -16.812
  181    HB2  LYS  21           2HB      LYS  21  -9.202   1.909 -15.259
  182    HB3  LYS  21           3HB      LYS  21 -10.389   1.036 -16.219
  183    HG2  LYS  21           2HG      LYS  21  -8.013   2.050 -17.653
  184    HG3  LYS  21           3HG      LYS  21  -7.757   0.725 -16.515
  185    HD2  LYS  21           2HD      LYS  21  -9.053  -0.742 -17.724
  186    HD3  LYS  21           3HD      LYS  21 -10.015   0.545 -18.455
  187    HE2  LYS  21           2HE      LYS  21  -7.115   0.391 -19.108
  188    HE3  LYS  21           3HE      LYS  21  -8.202  -0.788 -19.839
  189    HZ1  LYS  21           3HZ      LYS  21  -9.568   1.393 -20.341
  190    HZ2  LYS  21           1HZ      LYS  21  -8.339   0.857 -21.373
  191    HZ3  LYS  21           2HZ      LYS  21  -8.031   2.097 -20.265
  192    H    LYS  22           H        LYS  22 -12.434   2.109 -17.330
  193    HA   LYS  22           HA       LYS  22 -11.982   1.755 -20.141
  194    HB2  LYS  22           2HB      LYS  22 -14.476   1.457 -18.458
  195    HB3  LYS  22           3HB      LYS  22 -14.373   1.030 -20.161
  196    HG2  LYS  22           2HG      LYS  22 -12.420  -0.487 -19.433
  197    HG3  LYS  22           3HG      LYS  22 -13.078  -0.283 -17.807
  198    HD2  LYS  22           2HD      LYS  22 -14.148  -2.203 -18.536
  199    HD3  LYS  22           3HD      LYS  22 -15.331  -0.950 -18.916
  200    HE2  LYS  22           2HE      LYS  22 -14.710  -0.954 -21.214
  201    HE3  LYS  22           3HE      LYS  22 -13.303  -1.967 -20.896
  202    HZ1  LYS  22           3HZ      LYS  22 -16.109  -2.841 -20.481
  203    HZ2  LYS  22           1HZ      LYS  22 -14.720  -3.800 -20.378
  204    HZ3  LYS  22           2HZ      LYS  22 -15.208  -3.176 -21.872
  205    H    GLN  23           H        GLN  23 -13.183   4.277 -18.158
  206    HA   GLN  23           HA       GLN  23 -14.959   5.554 -19.909
  207    HB2  GLN  23           2HB      GLN  23 -13.273   6.465 -17.610
  208    HB3  GLN  23           3HB      GLN  23 -14.106   7.660 -18.595
  209    HG2  GLN  23           2HG      GLN  23 -15.684   5.366 -17.579
  210    HG3  GLN  23           3HG      GLN  23 -15.193   6.609 -16.428
  211   HE21  GLN  23          1HE2      GLN  23 -17.419   7.103 -16.160
  212   HE22  GLN  23          2HE2      GLN  23 -18.252   8.074 -17.322
  213    H    GLU  24           H        GLU  24 -14.689   6.738 -21.695
  214    HA   GLU  24           HA       GLU  24 -12.245   6.806 -23.064
  215    HB2  GLU  24           2HB      GLU  24 -13.352   8.139 -24.705
  216    HB3  GLU  24           3HB      GLU  24 -14.533   6.994 -24.085
  217    HG2  GLU  24           2HG      GLU  24 -15.493   8.723 -22.671
  218    HG3  GLU  24           3HG      GLU  24 -14.290   9.875 -23.246
  219    H    GLN  25           H        GLN  25 -10.765   8.446 -23.458
  220    HA   GLN  25           HA       GLN  25 -10.118  10.120 -21.312
  221    HB2  GLN  25           2HB      GLN  25  -8.503  11.171 -22.891
  222    HB3  GLN  25           3HB      GLN  25  -8.411   9.416 -22.852
  223    HG2  GLN  25           2HG      GLN  25  -8.287   9.866 -25.103
  224    HG3  GLN  25           3HG      GLN  25 -10.003   9.525 -24.884
  225   HE21  GLN  25          1HE2      GLN  25  -7.773  12.282 -24.689
  226   HE22  GLN  25          2HE2      GLN  25  -8.811  13.397 -25.503
  227    HA   PRO  26           HA       PRO  26 -12.533  13.745 -21.844
  228    HB2  PRO  26           2HB      PRO  26 -10.802  15.664 -21.010
  229    HB3  PRO  26           3HB      PRO  26 -11.578  14.524 -19.905
  230    HG2  PRO  26           2HG      PRO  26  -8.824  14.451 -21.076
  231    HG3  PRO  26           3HG      PRO  26  -9.343  14.106 -19.416
  232    HD2  PRO  26           2HD      PRO  26  -8.811  12.150 -21.211
  233    HD3  PRO  26           3HD      PRO  26 -10.040  11.973 -19.943
  Start of MODEL    4
    1    H1   VAL   1           H        VAL   1   1.583  -0.220   1.448
    2    HA   VAL   1           HA       VAL   1   1.594   0.678  -1.237
    3    HB   VAL   1           HB       VAL   1   3.520   0.976   0.264
    4   HG11  VAL   1          1HG1      VAL   1   3.997  -1.980  -0.090
    5   HG12  VAL   1          2HG1      VAL   1   4.971  -0.846   0.849
    6   HG13  VAL   1          3HG1      VAL   1   3.333  -1.244   1.369
    7   HG21  VAL   1          3HG2      VAL   1   3.626   0.749  -2.335
    8   HG22  VAL   1          1HG2      VAL   1   5.115   0.821  -1.393
    9   HG23  VAL   1          2HG2      VAL   1   4.515  -0.731  -1.976
   10    H    SER   2           H        SER   2   1.328  -2.454   0.221
   11    HA   SER   2           HA       SER   2   2.046  -3.914  -2.157
   12    HB2  SER   2           2HB      SER   2   2.373  -4.802   0.169
   13    HB3  SER   2           3HB      SER   2   0.621  -4.941   0.307
   14    HG   SER   2           HG       SER   2   1.285  -6.901  -0.391
   15    H    VAL   3           H        VAL   3  -0.777  -2.433  -0.913
   16    HA   VAL   3           HA       VAL   3  -2.646  -4.080  -2.373
   17    HB   VAL   3           HB       VAL   3  -4.354  -2.512  -1.611
   18   HG11  VAL   3          1HG1      VAL   3  -4.339  -3.152   0.606
   19   HG12  VAL   3          2HG1      VAL   3  -3.219  -4.313  -0.108
   20   HG13  VAL   3          3HG1      VAL   3  -2.600  -2.916   0.773
   21   HG21  VAL   3          3HG2      VAL   3  -3.049  -0.830   0.175
   22   HG22  VAL   3          1HG2      VAL   3  -2.066  -0.771  -1.289
   23   HG23  VAL   3          2HG2      VAL   3  -3.782  -0.372  -1.362
   24    H    ASP   4           H        ASP   4  -0.764  -1.261  -2.964
   25    HA   ASP   4           HA       ASP   4  -2.308   0.029  -4.909
   26    HB2  ASP   4           2HB      ASP   4   0.306   0.275  -3.839
   27    HB3  ASP   4           3HB      ASP   4   0.470   0.213  -5.592
   28    HA   PRO   5           HA       PRO   5   0.046  -2.671  -8.172
   29    HB2  PRO   5           2HB      PRO   5   1.300  -4.890  -7.236
   30    HB3  PRO   5           3HB      PRO   5   2.099  -3.319  -7.368
   31    HG2  PRO   5           2HG      PRO   5   0.891  -4.633  -4.966
   32    HG3  PRO   5           3HG      PRO   5   2.421  -3.748  -5.106
   33    HD2  PRO   5           2HD      PRO   5   0.180  -2.630  -4.076
   34    HD3  PRO   5           3HD      PRO   5   1.388  -1.691  -4.976
   35    H    PHE   6           H        PHE   6  -1.443  -4.248  -5.401
   36    HA   PHE   6           HA       PHE   6  -2.372  -6.569  -6.655
   37    HB2  PHE   6           2HB      PHE   6  -2.390  -5.915  -4.150
   38    HB3  PHE   6           3HB      PHE   6  -3.936  -5.155  -4.511
   39    HD1  PHE   6           HD1      PHE   6  -2.130  -8.329  -4.256
   40    HD2  PHE   6           HD2      PHE   6  -5.888  -6.471  -4.991
   41    HE1  PHE   6           HE1      PHE   6  -3.254 -10.501  -3.982
   42    HE2  PHE   6           HE2      PHE   6  -7.018  -8.639  -4.717
   43    HZ   PHE   6           HZ       PHE   6  -5.701 -10.658  -4.211
   44    H    TYR   7           H        TYR   7  -4.210  -3.589  -5.961
   45    HA   TYR   7           HA       TYR   7  -6.394  -4.352  -7.623
   46    HB2  TYR   7           2HB      TYR   7  -7.440  -2.515  -6.791
   47    HB3  TYR   7           3HB      TYR   7  -6.130  -2.568  -5.617
   48    HD1  TYR   7           HD1      TYR   7  -4.183  -1.041  -5.874
   49    HD2  TYR   7           HD2      TYR   7  -7.624  -0.730  -8.358
   50    HE1  TYR   7           HE1      TYR   7  -3.495   1.227  -6.534
   51    HE2  TYR   7           HE2      TYR   7  -6.944   1.538  -9.025
   52    HH   TYR   7           HH       TYR   7  -4.752   3.349  -7.412
   53    H    GLU   8           H        GLU   8  -3.367  -2.858  -8.206
   54    HA   GLU   8           HA       GLU   8  -4.102  -1.425 -10.570
   55    HB2  GLU   8           2HB      GLU   8  -1.582  -2.076  -9.146
   56    HB3  GLU   8           3HB      GLU   8  -1.448  -1.726 -10.863
   57    HG2  GLU   8           2HG      GLU   8  -2.840   0.096  -8.923
   58    HG3  GLU   8           3HG      GLU   8  -1.125   0.222  -9.312
   59    H    MET   9           H        MET   9  -2.652  -4.583  -9.905
   60    HA   MET   9           HA       MET   9  -2.395  -5.228 -12.702
   61    HB2  MET   9           2HB      MET   9  -1.529  -7.342 -11.966
   62    HB3  MET   9           3HB      MET   9  -0.836  -6.087 -10.948
   63    HG2  MET   9           2HG      MET   9  -2.498  -6.615  -9.211
   64    HG3  MET   9           3HG      MET   9  -3.110  -7.919 -10.226
   65    HE1  MET   9           3HE      MET   9   0.401  -6.528  -9.354
   66    HE2  MET   9           1HE      MET   9  -0.237  -6.811  -7.734
   67    HE3  MET   9           2HE      MET   9   1.093  -7.796  -8.342
   68    H    LEU  10           H        LEU  10  -4.582  -6.041 -10.054
   69    HA   LEU  10           HA       LEU  10  -6.121  -7.873 -11.662
   70    HB2  LEU  10           2HB      LEU  10  -6.235  -6.841  -8.878
   71    HB3  LEU  10           3HB      LEU  10  -7.715  -7.494  -9.578
   72    HG   LEU  10           HG       LEU  10  -5.879  -9.459 -10.130
   73   HD11  LEU  10          1HD1      LEU  10  -4.315  -8.116  -8.611
   74   HD12  LEU  10          2HD1      LEU  10  -4.498  -9.840  -8.289
   75   HD13  LEU  10          3HD1      LEU  10  -5.347  -8.661  -7.289
   76   HD21  LEU  10          3HD2      LEU  10  -7.344  -9.547  -7.542
   77   HD22  LEU  10          1HD2      LEU  10  -7.219 -10.762  -8.815
   78   HD23  LEU  10          2HD2      LEU  10  -8.275  -9.365  -9.030
   79    H    ALA  11           H        ALA  11  -7.814  -7.407 -12.909
   80    HA   ALA  11           HA       ALA  11  -8.630  -4.662 -13.234
   81    HB1  ALA  11           1HB      ALA  11  -9.503  -5.296 -15.230
   82    HB2  ALA  11           2HB      ALA  11  -8.397  -6.649 -14.993
   83    HB3  ALA  11           3HB      ALA  11 -10.108  -6.831 -14.606
   84    H    ALA  12           H        ALA  12 -10.056  -7.646 -11.994
   85    HA   ALA  12           HA       ALA  12 -12.665  -6.624 -11.599
   86    HB1  ALA  12           1HB      ALA  12 -11.165  -9.026 -10.721
   87    HB2  ALA  12           2HB      ALA  12 -12.613  -8.591  -9.811
   88    HB3  ALA  12           3HB      ALA  12 -12.719  -8.896 -11.545
   89    H    ARG  13           H        ARG  13  -9.725  -6.211  -9.882
   90    HA   ARG  13           HA       ARG  13 -10.878  -5.618  -7.328
   91    HB2  ARG  13           2HB      ARG  13  -8.224  -5.801  -8.478
   92    HB3  ARG  13           3HB      ARG  13  -8.375  -4.380  -7.452
   93    HG2  ARG  13           2HG      ARG  13  -8.975  -7.218  -6.643
   94    HG3  ARG  13           3HG      ARG  13  -7.545  -6.285  -6.197
   95    HD2  ARG  13           2HD      ARG  13  -9.281  -4.585  -5.265
   96    HD3  ARG  13           3HD      ARG  13 -10.378  -5.966  -5.297
   97    HE   ARG  13           HE       ARG  13  -9.225  -6.895  -3.536
   98   HH11  ARG  13          1HH1      ARG  13  -7.446  -4.191  -4.817
   99   HH12  ARG  13          2HH1      ARG  13  -6.311  -4.150  -3.508
  100   HH21  ARG  13          1HH2      ARG  13  -7.738  -6.852  -1.807
  101   HH22  ARG  13          2HH2      ARG  13  -6.478  -5.664  -1.797
  102    H    LYS  14           H        LYS  14 -10.431  -3.890 -10.252
  103    HA   LYS  14           HA       LYS  14 -10.301  -1.258  -9.190
  104    HB2  LYS  14           2HB      LYS  14 -11.209  -2.235 -11.904
  105    HB3  LYS  14           3HB      LYS  14 -10.908  -0.552 -11.491
  106    HG2  LYS  14           2HG      LYS  14  -8.628  -0.836 -11.411
  107    HG3  LYS  14           3HG      LYS  14  -8.748  -2.566 -11.081
  108    HD2  LYS  14           2HD      LYS  14  -9.581  -2.902 -13.391
  109    HD3  LYS  14           3HD      LYS  14  -9.326  -1.183 -13.701
  110    HE2  LYS  14           2HE      LYS  14  -6.937  -1.467 -13.191
  111    HE3  LYS  14           3HE      LYS  14  -7.208  -3.189 -12.930
  112    HZ1  LYS  14           3HZ      LYS  14  -8.226  -2.345 -15.450
  113    HZ2  LYS  14           1HZ      LYS  14  -7.108  -3.566 -15.100
  114    HZ3  LYS  14           2HZ      LYS  14  -6.582  -1.972 -15.306
  115    H    LYS  15           H        LYS  15 -11.883  -0.761  -7.753
  116    HA   LYS  15           HA       LYS  15 -14.648  -1.407  -8.266
  117    HB2  LYS  15           2HB      LYS  15 -13.300   0.185  -6.081
  118    HB3  LYS  15           3HB      LYS  15 -15.034  -0.100  -6.149
  119    HG2  LYS  15           2HG      LYS  15 -12.904  -2.218  -5.934
  120    HG3  LYS  15           3HG      LYS  15 -13.945  -1.649  -4.627
  121    HD2  LYS  15           2HD      LYS  15 -14.850  -3.030  -7.154
  122    HD3  LYS  15           3HD      LYS  15 -14.777  -3.748  -5.543
  123    HE2  LYS  15           2HE      LYS  15 -16.513  -1.433  -6.396
  124    HE3  LYS  15           3HE      LYS  15 -17.052  -3.082  -6.083
  125    HZ1  LYS  15           3HZ      LYS  15 -16.149  -2.753  -3.771
  126    HZ2  LYS  15           1HZ      LYS  15 -17.531  -1.856  -4.155
  127    HZ3  LYS  15           2HZ      LYS  15 -16.015  -1.107  -4.136
  128    H    ARG  16           H        ARG  16 -13.466   1.744  -7.185
  129    HA   ARG  16           HA       ARG  16 -15.381   3.072  -8.886
  130    HB2  ARG  16           2HB      ARG  16 -13.514   3.898  -6.711
  131    HB3  ARG  16           3HB      ARG  16 -14.075   5.129  -7.834
  132    HG2  ARG  16           2HG      ARG  16 -15.947   3.313  -6.344
  133    HG3  ARG  16           3HG      ARG  16 -15.401   4.867  -5.709
  134    HD2  ARG  16           2HD      ARG  16 -16.218   5.814  -7.969
  135    HD3  ARG  16           3HD      ARG  16 -17.108   4.298  -8.105
  136    HE   ARG  16           HE       ARG  16 -18.569   5.051  -6.509
  137   HH11  ARG  16          1HH1      ARG  16 -15.718   7.049  -6.489
  138   HH12  ARG  16          2HH1      ARG  16 -16.385   8.218  -5.398
  139   HH21  ARG  16          1HH2      ARG  16 -19.459   6.583  -5.072
  140   HH22  ARG  16          2HH2      ARG  16 -18.513   7.951  -4.592
  141    H    ILE  17           H        ILE  17 -12.053   2.233  -9.018
  142    HA   ILE  17           HA       ILE  17 -11.213   4.267 -10.837
  143    HB   ILE  17           HB       ILE  17  -9.314   2.583 -11.288
  144   HG12  ILE  17          2HG1      ILE  17 -10.991   0.825 -10.046
  145   HG13  ILE  17          3HG1      ILE  17  -9.250   0.605 -10.194
  146   HG21  ILE  17          1HG2      ILE  17  -8.936   4.489  -9.920
  147   HG22  ILE  17          2HG2      ILE  17  -9.843   3.787  -8.581
  148   HG23  ILE  17          3HG2      ILE  17  -8.290   3.097  -9.052
  149   HD11  ILE  17          3HD1      ILE  17  -8.874   1.375  -7.998
  150   HD12  ILE  17          1HD1      ILE  17 -10.522   1.983  -7.851
  151   HD13  ILE  17          2HD1      ILE  17 -10.225   0.245  -7.907
  152    H    SER  18           H        SER  18 -12.506   1.014 -11.169
  153    HA   SER  18           HA       SER  18 -11.965   0.595 -13.879
  154    HB2  SER  18           2HB      SER  18 -12.717  -1.317 -12.803
  155    HB3  SER  18           3HB      SER  18 -14.014  -0.464 -11.968
  156    HG   SER  18           HG       SER  18 -15.253  -1.116 -13.520
  157    H    VAL  19           H        VAL  19 -15.004   1.747 -12.404
  158    HA   VAL  19           HA       VAL  19 -16.286   2.381 -14.817
  159    HB   VAL  19           HB       VAL  19 -17.556   2.166 -12.769
  160   HG11  VAL  19          1HG1      VAL  19 -15.811   3.087 -11.264
  161   HG12  VAL  19          2HG1      VAL  19 -16.228   4.706 -11.830
  162   HG13  VAL  19          3HG1      VAL  19 -17.419   3.741 -10.956
  163   HG21  VAL  19          3HG2      VAL  19 -19.115   3.598 -13.486
  164   HG22  VAL  19          1HG2      VAL  19 -18.097   4.999 -13.153
  165   HG23  VAL  19          2HG2      VAL  19 -17.922   4.124 -14.674
  166    H    LYS  20           H        LYS  20 -14.228   4.304 -12.689
  167    HA   LYS  20           HA       LYS  20 -14.614   6.790 -13.955
  168    HB2  LYS  20           2HB      LYS  20 -13.536   6.331 -11.691
  169    HB3  LYS  20           3HB      LYS  20 -12.074   5.922 -12.580
  170    HG2  LYS  20           2HG      LYS  20 -13.328   8.518 -13.223
  171    HG3  LYS  20           3HG      LYS  20 -12.576   8.365 -11.633
  172    HD2  LYS  20           2HD      LYS  20 -11.054   7.394 -13.995
  173    HD3  LYS  20           3HD      LYS  20 -11.203   9.138 -13.767
  174    HE2  LYS  20           2HE      LYS  20  -9.285   8.717 -12.583
  175    HE3  LYS  20           3HE      LYS  20 -10.494   8.560 -11.309
  176    HZ1  LYS  20           3HZ      LYS  20 -10.307   6.272 -11.298
  177    HZ2  LYS  20           1HZ      LYS  20  -8.705   6.751 -11.556
  178    HZ3  LYS  20           2HZ      LYS  20  -9.642   6.197 -12.852
  179    H    LYS  21           H        LYS  21 -12.307   4.177 -14.517
  180    HA   LYS  21           HA       LYS  21 -10.707   5.518 -16.412
  181    HB2  LYS  21           2HB      LYS  21  -9.990   3.460 -15.285
  182    HB3  LYS  21           3HB      LYS  21 -11.253   2.558 -16.113
  183    HG2  LYS  21           2HG      LYS  21  -9.331   4.065 -17.790
  184    HG3  LYS  21           3HG      LYS  21  -8.745   2.616 -16.970
  185    HD2  LYS  21           2HD      LYS  21 -10.879   1.506 -17.935
  186    HD3  LYS  21           3HD      LYS  21 -10.895   2.882 -19.040
  187    HE2  LYS  21           2HE      LYS  21  -9.659   1.386 -20.257
  188    HE3  LYS  21           3HE      LYS  21  -8.376   2.223 -19.385
  189    HZ1  LYS  21           3HZ      LYS  21  -9.473  -0.049 -17.986
  190    HZ2  LYS  21           1HZ      LYS  21  -7.859   0.390 -18.241
  191    HZ3  LYS  21           2HZ      LYS  21  -8.708  -0.446 -19.442
  192    H    LYS  22           H        LYS  22 -13.595   3.504 -16.741
  193    HA   LYS  22           HA       LYS  22 -13.642   3.337 -19.537
  194    HB2  LYS  22           2HB      LYS  22 -15.980   3.377 -17.619
  195    HB3  LYS  22           3HB      LYS  22 -16.031   2.814 -19.285
  196    HG2  LYS  22           2HG      LYS  22 -14.063   1.562 -17.449
  197    HG3  LYS  22           3HG      LYS  22 -15.769   1.148 -17.260
  198    HD2  LYS  22           2HD      LYS  22 -15.903   0.351 -19.501
  199    HD3  LYS  22           3HD      LYS  22 -14.311   1.004 -19.894
  200    HE2  LYS  22           2HE      LYS  22 -13.202  -0.643 -18.695
  201    HE3  LYS  22           3HE      LYS  22 -14.614  -1.017 -17.709
  202    HZ1  LYS  22           3HZ      LYS  22 -15.267  -2.545 -19.160
  203    HZ2  LYS  22           1HZ      LYS  22 -13.770  -2.379 -19.930
  204    HZ3  LYS  22           2HZ      LYS  22 -15.104  -1.494 -20.475
  205    H    GLN  23           H        GLN  23 -14.277   5.968 -17.437
  206    HA   GLN  23           HA       GLN  23 -15.964   7.431 -19.248
  207    HB2  GLN  23           2HB      GLN  23 -14.451   8.377 -16.807
  208    HB3  GLN  23           3HB      GLN  23 -15.695   9.283 -17.658
  209    HG2  GLN  23           2HG      GLN  23 -16.392   6.582 -16.651
  210    HG3  GLN  23           3HG      GLN  23 -16.212   7.886 -15.478
  211   HE21  GLN  23          1HE2      GLN  23 -18.517   7.374 -15.143
  212   HE22  GLN  23          2HE2      GLN  23 -19.681   8.172 -16.140
  213    H    GLU  24           H        GLU  24 -12.594   6.955 -18.856
  214    HA   GLU  24           HA       GLU  24 -11.747   9.415 -20.058
  215    HB2  GLU  24           2HB      GLU  24 -10.321   6.818 -19.488
  216    HB3  GLU  24           3HB      GLU  24  -9.532   8.197 -20.240
  217    HG2  GLU  24           2HG      GLU  24 -10.741   8.073 -17.490
  218    HG3  GLU  24           3HG      GLU  24  -9.032   8.196 -17.904
  219    H    GLN  25           H        GLN  25 -10.016   8.937 -21.984
  220    HA   GLN  25           HA       GLN  25 -11.573   8.543 -24.275
  221    HB2  GLN  25           2HB      GLN  25  -9.327   8.409 -25.453
  222    HB3  GLN  25           3HB      GLN  25  -9.623   9.859 -24.503
  223    HG2  GLN  25           2HG      GLN  25  -8.094   9.286 -22.891
  224    HG3  GLN  25           3HG      GLN  25  -8.209   7.562 -23.243
  225   HE21  GLN  25          1HE2      GLN  25  -6.929   6.676 -24.805
  226   HE22  GLN  25          2HE2      GLN  25  -5.664   7.540 -25.604
  227    HA   PRO  26           HA       PRO  26 -11.661   4.210 -24.957
  228    HB2  PRO  26           2HB      PRO  26 -11.510   4.082 -27.664
  229    HB3  PRO  26           3HB      PRO  26 -12.951   4.641 -26.808
  230    HG2  PRO  26           2HG      PRO  26 -10.782   6.241 -28.110
  231    HG3  PRO  26           3HG      PRO  26 -12.537   6.491 -28.155
  232    HD2  PRO  26           2HD      PRO  26 -10.903   7.917 -26.534
  233    HD3  PRO  26           3HD      PRO  26 -12.571   7.507 -26.087
  Start of MODEL    5
    1    H1   VAL   1           H        VAL   1   2.338  -0.330   0.868
    2    HA   VAL   1           HA       VAL   1   2.575   0.073  -1.940
    3    HB   VAL   1           HB       VAL   1   4.493   0.323  -0.424
    4   HG11  VAL   1          1HG1      VAL   1   4.516  -2.678  -0.196
    5   HG12  VAL   1          2HG1      VAL   1   5.556  -1.519   0.634
    6   HG13  VAL   1          3HG1      VAL   1   3.842  -1.617   1.040
    7   HG21  VAL   1          3HG2      VAL   1   5.640  -1.808  -1.970
    8   HG22  VAL   1          1HG2      VAL   1   4.456  -0.925  -2.935
    9   HG23  VAL   1          2HG2      VAL   1   5.799  -0.064  -2.181
   10    H    SER   2           H        SER   2   1.895  -2.688   0.089
   11    HA   SER   2           HA       SER   2   2.292  -4.619  -2.011
   12    HB2  SER   2           2HB      SER   2   2.518  -4.987   0.545
   13    HB3  SER   2           3HB      SER   2   0.762  -5.149   0.525
   14    HG   SER   2           HG       SER   2   2.547  -6.992  -0.051
   15    H    VAL   3           H        VAL   3  -0.246  -2.572  -0.969
   16    HA   VAL   3           HA       VAL   3  -2.388  -4.172  -2.061
   17    HB   VAL   3           HB       VAL   3  -2.476  -1.271  -1.230
   18   HG11  VAL   3          1HG1      VAL   3  -4.645  -3.344  -1.543
   19   HG12  VAL   3          2HG1      VAL   3  -4.876  -1.702  -0.940
   20   HG13  VAL   3          3HG1      VAL   3  -4.357  -1.966  -2.605
   21   HG21  VAL   3          3HG2      VAL   3  -3.442  -2.212   0.904
   22   HG22  VAL   3          1HG2      VAL   3  -2.839  -3.785   0.382
   23   HG23  VAL   3          2HG2      VAL   3  -1.711  -2.460   0.673
   24    H    ASP   4           H        ASP   4  -0.185  -1.786  -3.197
   25    HA   ASP   4           HA       ASP   4  -1.647  -0.648  -5.295
   26    HB2  ASP   4           2HB      ASP   4   1.029  -0.584  -4.360
   27    HB3  ASP   4           3HB      ASP   4   1.092  -0.970  -6.077
   28    HA   PRO   5           HA       PRO   5   0.160  -4.166  -8.094
   29    HB2  PRO   5           2HB      PRO   5   1.165  -6.341  -6.817
   30    HB3  PRO   5           3HB      PRO   5   2.152  -4.940  -7.250
   31    HG2  PRO   5           2HG      PRO   5   0.914  -5.644  -4.617
   32    HG3  PRO   5           3HG      PRO   5   2.536  -5.014  -4.958
   33    HD2  PRO   5           2HD      PRO   5   0.516  -3.440  -4.076
   34    HD3  PRO   5           3HD      PRO   5   1.786  -2.844  -5.165
   35    H    PHE   6           H        PHE   6  -1.303  -5.113  -5.022
   36    HA   PHE   6           HA       PHE   6  -2.626  -7.424  -5.878
   37    HB2  PHE   6           2HB      PHE   6  -2.341  -6.496  -3.492
   38    HB3  PHE   6           3HB      PHE   6  -3.774  -5.534  -3.836
   39    HD1  PHE   6           HD1      PHE   6  -2.477  -8.896  -3.243
   40    HD2  PHE   6           HD2      PHE   6  -5.946  -6.569  -4.061
   41    HE1  PHE   6           HE1      PHE   6  -3.900 -10.801  -2.611
   42    HE2  PHE   6           HE2      PHE   6  -7.374  -8.470  -3.429
   43    HZ   PHE   6           HZ       PHE   6  -6.352 -10.589  -2.702
   44    H    TYR   7           H        TYR   7  -3.899  -4.106  -5.588
   45    HA   TYR   7           HA       TYR   7  -6.350  -4.762  -6.907
   46    HB2  TYR   7           2HB      TYR   7  -7.026  -2.737  -6.193
   47    HB3  TYR   7           3HB      TYR   7  -5.513  -2.699  -5.295
   48    HD1  TYR   7           HD2      TYR   7  -3.573  -1.449  -6.196
   49    HD2  TYR   7           HD1      TYR   7  -7.385  -1.315  -8.080
   50    HE1  TYR   7           HE2      TYR   7  -2.880   0.555  -7.441
   51    HE2  TYR   7           HE1      TYR   7  -6.702   0.689  -9.332
   52    HH   TYR   7           HH       TYR   7  -3.941   2.484  -8.563
   53    H    GLU   8           H        GLU   8  -3.209  -3.936  -7.960
   54    HA   GLU   8           HA       GLU   8  -3.983  -2.795 -10.483
   55    HB2  GLU   8           2HB      GLU   8  -1.436  -3.490  -9.130
   56    HB3  GLU   8           3HB      GLU   8  -1.412  -3.462 -10.887
   57    HG2  GLU   8           2HG      GLU   8  -2.271  -1.165 -10.850
   58    HG3  GLU   8           3HG      GLU   8  -2.241  -1.197  -9.088
   59    H    MET   9           H        MET   9  -2.893  -5.950  -9.330
   60    HA   MET   9           HA       MET   9  -2.889  -7.104 -11.969
   61    HB2  MET   9           2HB      MET   9  -2.300  -9.170 -10.876
   62    HB3  MET   9           3HB      MET   9  -1.354  -7.867 -10.168
   63    HG2  MET   9           2HG      MET   9  -2.996  -7.780  -8.301
   64    HG3  MET   9           3HG      MET   9  -3.770  -9.208  -8.985
   65    HE1  MET   9           3HE      MET   9  -0.185  -7.945  -8.548
   66    HE2  MET   9           1HE      MET   9  -0.612  -7.943  -6.836
   67    HE3  MET   9           2HE      MET   9   0.564  -9.105  -7.450
   68    H    LEU  10           H        LEU  10  -5.009  -7.127  -9.148
   69    HA   LEU  10           HA       LEU  10  -6.870  -8.973 -10.346
   70    HB2  LEU  10           2HB      LEU  10  -6.728  -7.428  -7.803
   71    HB3  LEU  10           3HB      LEU  10  -8.287  -8.061  -8.327
   72    HG   LEU  10           HG       LEU  10  -6.574 -10.236  -8.520
   73   HD11  LEU  10          1HD1      LEU  10  -4.854  -9.040  -7.286
   74   HD12  LEU  10          2HD1      LEU  10  -5.511 -10.361  -6.319
   75   HD13  LEU  10          3HD1      LEU  10  -6.000  -8.699  -5.989
   76   HD21  LEU  10          3HD2      LEU  10  -8.047 -11.206  -7.066
   77   HD22  LEU  10          1HD2      LEU  10  -8.996  -9.807  -7.569
   78   HD23  LEU  10          2HD2      LEU  10  -8.136  -9.781  -6.029
   79    H    ALA  11           H        ALA  11  -8.571  -8.503 -11.585
   80    HA   ALA  11           HA       ALA  11  -9.019  -5.775 -12.399
   81    HB1  ALA  11           1HB      ALA  11 -10.910  -6.990 -13.744
   82    HB2  ALA  11           2HB      ALA  11  -9.218  -7.180 -14.204
   83    HB3  ALA  11           3HB      ALA  11 -10.025  -8.441 -13.274
   84    H    ALA  12           H        ALA  12 -10.762  -8.235 -10.558
   85    HA   ALA  12           HA       ALA  12 -13.161  -6.750 -10.257
   86    HB1  ALA  12           1HB      ALA  12 -12.077  -9.269  -9.295
   87    HB2  ALA  12           2HB      ALA  12 -13.062  -8.445  -8.086
   88    HB3  ALA  12           3HB      ALA  12 -13.742  -8.821  -9.669
   89    H    ARG  13           H        ARG  13 -10.086  -6.428  -8.862
   90    HA   ARG  13           HA       ARG  13 -10.922  -5.340  -6.340
   91    HB2  ARG  13           2HB      ARG  13  -8.433  -6.051  -7.621
   92    HB3  ARG  13           3HB      ARG  13  -8.313  -4.457  -6.888
   93    HG2  ARG  13           2HG      ARG  13  -9.139  -6.995  -5.496
   94    HG3  ARG  13           3HG      ARG  13  -7.586  -6.171  -5.341
   95    HD2  ARG  13           2HD      ARG  13  -8.943  -4.144  -4.578
   96    HD3  ARG  13           3HD      ARG  13 -10.291  -5.266  -4.402
   97    HE   ARG  13           HE       ARG  13  -9.270  -6.170  -2.546
   98   HH11  ARG  13          1HH1      ARG  13  -7.066  -4.040  -4.196
   99   HH12  ARG  13          2HH1      ARG  13  -5.900  -4.040  -2.914
  100   HH21  ARG  13          1HH2      ARG  13  -7.743  -6.179  -0.851
  101   HH22  ARG  13          2HH2      ARG  13  -6.286  -5.258  -1.012
  102    H    LYS  14           H        LYS  14 -10.544  -4.141  -9.531
  103    HA   LYS  14           HA       LYS  14 -10.176  -1.383  -8.781
  104    HB2  LYS  14           2HB      LYS  14 -10.775  -2.740 -11.409
  105    HB3  LYS  14           3HB      LYS  14 -10.634  -0.994 -11.247
  106    HG2  LYS  14           2HG      LYS  14  -8.468  -1.247 -11.647
  107    HG3  LYS  14           3HG      LYS  14  -8.341  -1.962 -10.038
  108    HD2  LYS  14           2HD      LYS  14  -7.383  -3.593 -11.369
  109    HD3  LYS  14           3HD      LYS  14  -9.052  -4.154 -11.247
  110    HE2  LYS  14           2HE      LYS  14  -8.215  -2.366 -13.497
  111    HE3  LYS  14           3HE      LYS  14  -7.880  -4.096 -13.566
  112    HZ1  LYS  14           3HZ      LYS  14 -10.432  -4.158 -12.892
  113    HZ2  LYS  14           1HZ      LYS  14  -9.919  -4.105 -14.504
  114    HZ3  LYS  14           2HZ      LYS  14 -10.425  -2.689 -13.731
  115    H    LYS  15           H        LYS  15 -11.846  -0.600  -7.601
  116    HA   LYS  15           HA       LYS  15 -14.589  -1.155  -8.307
  117    HB2  LYS  15           2HB      LYS  15 -13.347   0.640  -6.219
  118    HB3  LYS  15           3HB      LYS  15 -15.082   0.448  -6.429
  119    HG2  LYS  15           2HG      LYS  15 -13.135  -1.737  -5.721
  120    HG3  LYS  15           3HG      LYS  15 -14.256  -0.939  -4.615
  121    HD2  LYS  15           2HD      LYS  15 -15.003  -2.599  -7.022
  122    HD3  LYS  15           3HD      LYS  15 -15.139  -3.093  -5.333
  123    HE2  LYS  15           2HE      LYS  15 -16.620  -0.828  -6.666
  124    HE3  LYS  15           3HE      LYS  15 -17.298  -2.383  -6.189
  125    HZ1  LYS  15           3HZ      LYS  15 -17.865  -1.222  -4.362
  126    HZ2  LYS  15           1HZ      LYS  15 -16.644  -0.067  -4.561
  127    HZ3  LYS  15           2HZ      LYS  15 -16.282  -1.571  -3.876
  128    H    ARG  16           H        ARG  16 -13.295   2.042  -7.529
  129    HA   ARG  16           HA       ARG  16 -14.945   3.231  -9.578
  130    HB2  ARG  16           2HB      ARG  16 -14.767   4.363  -7.447
  131    HB3  ARG  16           3HB      ARG  16 -13.015   4.432  -7.587
  132    HG2  ARG  16           2HG      ARG  16 -13.969   6.589  -8.078
  133    HG3  ARG  16           3HG      ARG  16 -13.247   5.908  -9.537
  134    HD2  ARG  16           2HD      ARG  16 -15.320   5.444 -10.493
  135    HD3  ARG  16           3HD      ARG  16 -16.157   5.523  -8.943
  136    HE   ARG  16           HE       ARG  16 -15.646   7.688 -10.720
  137   HH11  ARG  16          1HH1      ARG  16 -15.963   6.855  -7.355
  138   HH12  ARG  16          2HH1      ARG  16 -16.459   8.444  -6.874
  139   HH21  ARG  16          1HH2      ARG  16 -16.298   9.784 -10.099
  140   HH22  ARG  16          2HH2      ARG  16 -16.649  10.109  -8.436
  141    H    ILE  17           H        ILE  17 -11.687   2.196  -9.254
  142    HA   ILE  17           HA       ILE  17 -10.540   3.915 -11.225
  143    HB   ILE  17           HB       ILE  17  -8.719   2.093 -11.246
  144   HG12  ILE  17          2HG1      ILE  17 -10.621   0.605  -9.975
  145   HG13  ILE  17          3HG1      ILE  17  -8.892   0.279  -9.908
  146   HG21  ILE  17          1HG2      ILE  17  -8.356   4.144 -10.101
  147   HG22  ILE  17          2HG2      ILE  17  -9.437   3.676  -8.789
  148   HG23  ILE  17          3HG2      ILE  17  -7.893   2.849  -8.996
  149   HD11  ILE  17          3HD1      ILE  17 -10.296   2.023  -7.910
  150   HD12  ILE  17          1HD1      ILE  17 -10.114   0.280  -7.711
  151   HD13  ILE  17          2HD1      ILE  17  -8.686   1.312  -7.800
  152    H    SER  18           H        SER  18 -12.013   0.723 -11.256
  153    HA   SER  18           HA       SER  18 -11.239  -0.101 -13.812
  154    HB2  SER  18           2HB      SER  18 -12.224  -1.798 -12.575
  155    HB3  SER  18           3HB      SER  18 -13.536  -0.765 -12.009
  156    HG   SER  18           HG       SER  18 -14.628  -1.682 -13.551
  157    H    VAL  19           H        VAL  19 -14.317   1.418 -12.838
  158    HA   VAL  19           HA       VAL  19 -15.303   1.778 -15.442
  159    HB   VAL  19           HB       VAL  19 -16.785   1.910 -13.532
  160   HG11  VAL  19          1HG1      VAL  19 -16.734   3.710 -11.940
  161   HG12  VAL  19          2HG1      VAL  19 -15.142   2.948 -11.985
  162   HG13  VAL  19          3HG1      VAL  19 -15.407   4.489 -12.801
  163   HG21  VAL  19          3HG2      VAL  19 -16.851   3.572 -15.714
  164   HG22  VAL  19          1HG2      VAL  19 -18.173   3.323 -14.573
  165   HG23  VAL  19          2HG2      VAL  19 -17.079   4.691 -14.370
  166    H    LYS  20           H        LYS  20 -13.352   3.862 -13.365
  167    HA   LYS  20           HA       LYS  20 -13.443   6.186 -14.932
  168    HB2  LYS  20           2HB      LYS  20 -12.601   6.134 -12.619
  169    HB3  LYS  20           3HB      LYS  20 -11.208   5.199 -13.148
  170    HG2  LYS  20           2HG      LYS  20 -10.493   7.441 -12.910
  171    HG3  LYS  20           3HG      LYS  20 -10.603   7.119 -14.642
  172    HD2  LYS  20           2HD      LYS  20 -12.609   8.347 -14.843
  173    HD3  LYS  20           3HD      LYS  20 -12.850   8.387 -13.095
  174    HE2  LYS  20           2HE      LYS  20 -12.068  10.519 -13.539
  175    HE3  LYS  20           3HE      LYS  20 -10.598   9.668 -13.066
  176    HZ1  LYS  20           3HZ      LYS  20 -11.358  10.756 -15.644
  177    HZ2  LYS  20           1HZ      LYS  20 -10.606   9.241 -15.695
  178    HZ3  LYS  20           2HZ      LYS  20  -9.823  10.550 -14.965
  179    H    LYS  21           H        LYS  21 -11.299   3.381 -15.038
  180    HA   LYS  21           HA       LYS  21  -9.554   4.434 -17.021
  181    HB2  LYS  21           2HB      LYS  21  -9.197   2.455 -15.372
  182    HB3  LYS  21           3HB      LYS  21 -10.009   1.495 -16.602
  183    HG2  LYS  21           2HG      LYS  21  -7.688   1.259 -16.968
  184    HG3  LYS  21           3HG      LYS  21  -8.294   2.324 -18.238
  185    HD2  LYS  21           2HD      LYS  21  -7.318   4.211 -17.294
  186    HD3  LYS  21           3HD      LYS  21  -7.189   3.465 -15.699
  187    HE2  LYS  21           2HE      LYS  21  -5.552   1.835 -16.803
  188    HE3  LYS  21           3HE      LYS  21  -5.509   2.981 -18.142
  189    HZ1  LYS  21           3HZ      LYS  21  -5.140   4.508 -15.899
  190    HZ2  LYS  21           1HZ      LYS  21  -3.945   4.037 -17.000
  191    HZ3  LYS  21           2HZ      LYS  21  -4.218   3.121 -15.605
  192    H    LYS  22           H        LYS  22 -12.420   2.370 -17.122
  193    HA   LYS  22           HA       LYS  22 -12.331   1.712 -19.847
  194    HB2  LYS  22           2HB      LYS  22 -14.453   1.779 -17.755
  195    HB3  LYS  22           3HB      LYS  22 -14.957   1.638 -19.434
  196    HG2  LYS  22           2HG      LYS  22 -12.804  -0.190 -18.665
  197    HG3  LYS  22           3HG      LYS  22 -14.327  -0.446 -17.810
  198    HD2  LYS  22           2HD      LYS  22 -14.686  -1.753 -19.653
  199    HD3  LYS  22           3HD      LYS  22 -15.326  -0.218 -20.245
  200    HE2  LYS  22           2HE      LYS  22 -12.438  -0.667 -20.653
  201    HE3  LYS  22           3HE      LYS  22 -13.519  -1.707 -21.579
  202    HZ1  LYS  22           3HZ      LYS  22 -14.461   0.935 -21.713
  203    HZ2  LYS  22           1HZ      LYS  22 -13.890  -0.044 -22.969
  204    HZ3  LYS  22           2HZ      LYS  22 -12.816   0.938 -22.107
  205    H    GLN  23           H        GLN  23 -13.078   4.659 -18.268
  206    HA   GLN  23           HA       GLN  23 -14.788   5.806 -20.212
  207    HB2  GLN  23           2HB      GLN  23 -12.923   7.163 -18.257
  208    HB3  GLN  23           3HB      GLN  23 -14.218   7.952 -19.148
  209    HG2  GLN  23           2HG      GLN  23 -15.575   5.944 -17.942
  210    HG3  GLN  23           3HG      GLN  23 -14.323   6.275 -16.746
  211   HE21  GLN  23          1HE2      GLN  23 -17.197   6.730 -16.610
  212   HE22  GLN  23          2HE2      GLN  23 -17.402   8.418 -16.305
  213    H    GLU  24           H        GLU  24 -14.140   5.820 -22.286
  214    HA   GLU  24           HA       GLU  24 -11.460   6.151 -23.133
  215    HB2  GLU  24           2HB      GLU  24 -12.426   6.402 -25.392
  216    HB3  GLU  24           3HB      GLU  24 -13.076   5.010 -24.536
  217    HG2  GLU  24           2HG      GLU  24 -15.061   6.385 -23.940
  218    HG3  GLU  24           3HG      GLU  24 -14.423   7.663 -24.973
  219    H    GLN  25           H        GLN  25 -14.182   8.379 -22.822
  220    HA   GLN  25           HA       GLN  25 -12.997  10.603 -24.062
  221    HB2  GLN  25           2HB      GLN  25 -15.242  10.194 -22.146
  222    HB3  GLN  25           3HB      GLN  25 -14.626  11.827 -22.354
  223    HG2  GLN  25           2HG      GLN  25 -15.295  11.945 -24.557
  224    HG3  GLN  25           3HG      GLN  25 -15.336  10.192 -24.746
  225   HE21  GLN  25          1HE2      GLN  25 -17.086  13.002 -23.909
  226   HE22  GLN  25          2HE2      GLN  25 -18.599  12.239 -23.572
  227    HA   PRO  26           HA       PRO  26 -10.086  12.188 -21.191
  228    HB2  PRO  26           2HB      PRO  26 -10.502  14.866 -21.348
  229    HB3  PRO  26           3HB      PRO  26  -9.743  13.934 -22.644
  230    HG2  PRO  26           2HG      PRO  26 -12.576  14.871 -22.393
  231    HG3  PRO  26           3HG      PRO  26 -11.514  14.887 -23.813
  232    HD2  PRO  26           2HD      PRO  26 -13.417  12.998 -23.438
  233    HD3  PRO  26           3HD      PRO  26 -11.887  12.660 -24.274
  Start of MODEL    6
    1    H1   VAL   1           H        VAL   1   2.028   0.195   0.317
    2    HA   VAL   1           HA       VAL   1   2.292   0.519  -2.521
    3    HB   VAL   1           HB       VAL   1   4.185  -0.893  -0.639
    4   HG11  VAL   1          1HG1      VAL   1   5.837  -0.020  -2.408
    5   HG12  VAL   1          2HG1      VAL   1   4.845  -1.423  -2.812
    6   HG13  VAL   1          3HG1      VAL   1   4.414   0.171  -3.432
    7   HG21  VAL   1          3HG2      VAL   1   3.566   1.953  -0.999
    8   HG22  VAL   1          1HG2      VAL   1   4.342   1.119   0.347
    9   HG23  VAL   1          2HG2      VAL   1   5.282   1.555  -1.080
   10    H    SER   2           H        SER   2   1.711  -2.150  -0.325
   11    HA   SER   2           HA       SER   2   2.097  -4.172  -2.341
   12    HB2  SER   2           2HB      SER   2   2.591  -4.856  -0.119
   13    HB3  SER   2           3HB      SER   2   1.057  -4.236   0.493
   14    HG   SER   2           HG       SER   2   1.522  -6.517  -1.111
   15    H    VAL   3           H        VAL   3  -0.462  -2.141  -1.322
   16    HA   VAL   3           HA       VAL   3  -2.592  -3.847  -2.267
   17    HB   VAL   3           HB       VAL   3  -4.049  -1.887  -1.851
   18   HG11  VAL   3          1HG1      VAL   3  -2.810  -1.770   0.690
   19   HG12  VAL   3          2HG1      VAL   3  -4.193  -2.747   0.190
   20   HG13  VAL   3          3HG1      VAL   3  -2.557  -3.394   0.051
   21   HG21  VAL   3          3HG2      VAL   3  -3.223   0.157  -0.996
   22   HG22  VAL   3          1HG2      VAL   3  -1.602  -0.504  -0.780
   23   HG23  VAL   3          2HG2      VAL   3  -2.228  -0.217  -2.404
   24    H    ASP   4           H        ASP   4  -0.491  -1.461  -3.584
   25    HA   ASP   4           HA       ASP   4  -2.044  -0.466  -5.688
   26    HB2  ASP   4           2HB      ASP   4   0.659  -0.294  -4.843
   27    HB3  ASP   4           3HB      ASP   4   0.674  -0.752  -6.544
   28    HA   PRO   5           HA       PRO   5  -0.229  -4.071  -8.368
   29    HB2  PRO   5           2HB      PRO   5   0.868  -6.156  -7.019
   30    HB3  PRO   5           3HB      PRO   5   1.806  -4.754  -7.548
   31    HG2  PRO   5           2HG      PRO   5   0.662  -5.358  -4.848
   32    HG3  PRO   5           3HG      PRO   5   2.257  -4.706  -5.267
   33    HD2  PRO   5           2HD      PRO   5   0.225  -3.140  -4.402
   34    HD3  PRO   5           3HD      PRO   5   1.447  -2.568  -5.556
   35    H    PHE   6           H        PHE   6  -1.661  -4.800  -5.241
   36    HA   PHE   6           HA       PHE   6  -2.904  -7.225  -5.872
   37    HB2  PHE   6           2HB      PHE   6  -2.676  -6.000  -3.593
   38    HB3  PHE   6           3HB      PHE   6  -4.179  -5.205  -4.050
   39    HD1  PHE   6           HD1      PHE   6  -2.614  -8.406  -3.179
   40    HD2  PHE   6           HD2      PHE   6  -6.257  -6.389  -4.058
   41    HE1  PHE   6           HE1      PHE   6  -3.882 -10.340  -2.340
   42    HE2  PHE   6           HE2      PHE   6  -7.532  -8.319  -3.219
   43    HZ   PHE   6           HZ       PHE   6  -6.345 -10.298  -2.358
   44    H    TYR   7           H        TYR   7  -4.378  -3.976  -5.809
   45    HA   TYR   7           HA       TYR   7  -6.741  -4.845  -7.145
   46    HB2  TYR   7           2HB      TYR   7  -7.542  -2.760  -6.720
   47    HB3  TYR   7           3HB      TYR   7  -6.174  -2.704  -5.613
   48    HD1  TYR   7           HD1      TYR   7  -4.103  -1.498  -6.273
   49    HD2  TYR   7           HD2      TYR   7  -7.632  -1.359  -8.646
   50    HE1  TYR   7           HE1      TYR   7  -3.226   0.475  -7.450
   51    HE2  TYR   7           HE2      TYR   7  -6.764   0.615  -9.830
   52    HH   TYR   7           HH       TYR   7  -3.798   2.204  -8.824
   53    H    GLU   8           H        GLU   8  -3.632  -3.863  -8.194
   54    HA   GLU   8           HA       GLU   8  -4.384  -2.918 -10.785
   55    HB2  GLU   8           2HB      GLU   8  -1.849  -3.520  -9.368
   56    HB3  GLU   8           3HB      GLU   8  -1.801  -3.582 -11.125
   57    HG2  GLU   8           2HG      GLU   8  -2.821  -1.226  -9.560
   58    HG3  GLU   8           3HG      GLU   8  -1.161  -1.389 -10.133
   59    H    MET   9           H        MET   9  -3.221  -5.996  -9.486
   60    HA   MET   9           HA       MET   9  -3.225  -7.270 -12.071
   61    HB2  MET   9           2HB      MET   9  -2.541  -9.257 -10.908
   62    HB3  MET   9           3HB      MET   9  -1.650  -7.898 -10.237
   63    HG2  MET   9           2HG      MET   9  -3.232  -7.824  -8.354
   64    HG3  MET   9           3HG      MET   9  -4.050  -9.238  -9.016
   65    HE1  MET   9           3HE      MET   9  -2.963 -11.214  -9.687
   66    HE2  MET   9           1HE      MET   9  -1.274 -11.646  -9.415
   67    HE3  MET   9           2HE      MET   9  -2.503 -12.109  -8.237
   68    H    LEU  10           H        LEU  10  -5.305  -7.207  -9.222
   69    HA   LEU  10           HA       LEU  10  -7.130  -9.161 -10.295
   70    HB2  LEU  10           2HB      LEU  10  -6.939  -7.525  -7.827
   71    HB3  LEU  10           3HB      LEU  10  -8.535  -8.105  -8.298
   72    HG   LEU  10           HG       LEU  10  -7.041 -10.387  -8.454
   73   HD11  LEU  10          1HD1      LEU  10  -5.183  -8.939  -7.388
   74   HD12  LEU  10          2HD1      LEU  10  -5.506 -10.542  -6.729
   75   HD13  LEU  10          3HD1      LEU  10  -6.127  -9.110  -5.908
   76   HD21  LEU  10          3HD2      LEU  10  -8.191  -9.720  -5.809
   77   HD22  LEU  10          1HD2      LEU  10  -8.446 -11.130  -6.837
   78   HD23  LEU  10          2HD2      LEU  10  -9.266  -9.612  -7.204
   79    H    ALA  11           H        ALA  11  -8.930  -8.813 -11.451
   80    HA   ALA  11           HA       ALA  11  -9.425  -6.166 -12.477
   81    HB1  ALA  11           1HB      ALA  11 -10.961  -7.199 -13.977
   82    HB2  ALA  11           2HB      ALA  11  -9.549  -8.250 -13.859
   83    HB3  ALA  11           3HB      ALA  11 -11.030  -8.661 -12.993
   84    H    ALA  12           H        ALA  12 -11.341  -8.561 -10.661
   85    HA   ALA  12           HA       ALA  12 -13.606  -6.961 -10.275
   86    HB1  ALA  12           1HB      ALA  12 -13.890  -9.238  -9.852
   87    HB2  ALA  12           2HB      ALA  12 -12.489  -9.310  -8.782
   88    HB3  ALA  12           3HB      ALA  12 -13.962  -8.497  -8.253
   89    H    ARG  13           H        ARG  13 -10.498  -6.823  -8.830
   90    HA   ARG  13           HA       ARG  13 -11.221  -5.611  -6.365
   91    HB2  ARG  13           2HB      ARG  13  -8.717  -6.060  -7.887
   92    HB3  ARG  13           3HB      ARG  13  -8.699  -4.740  -6.726
   93    HG2  ARG  13           2HG      ARG  13  -9.766  -7.346  -5.809
   94    HG3  ARG  13           3HG      ARG  13  -8.026  -7.218  -6.075
   95    HD2  ARG  13           2HD      ARG  13  -8.566  -6.703  -3.767
   96    HD3  ARG  13           3HD      ARG  13  -7.957  -5.266  -4.588
   97    HE   ARG  13           HE       ARG  13 -10.718  -5.748  -3.739
   98   HH11  ARG  13          1HH1      ARG  13  -8.327  -3.653  -5.160
   99   HH12  ARG  13          2HH1      ARG  13  -9.302  -2.228  -5.017
  100   HH21  ARG  13          1HH2      ARG  13 -12.011  -3.879  -3.547
  101   HH22  ARG  13          2HH2      ARG  13 -11.397  -2.358  -4.099
  102    H    LYS  14           H        LYS  14 -10.162  -4.317  -9.494
  103    HA   LYS  14           HA       LYS  14 -10.075  -1.613  -8.775
  104    HB2  LYS  14           2HB      LYS  14 -10.728  -2.844 -11.458
  105    HB3  LYS  14           3HB      LYS  14 -10.295  -1.160 -11.196
  106    HG2  LYS  14           2HG      LYS  14  -8.087  -1.735 -10.554
  107    HG3  LYS  14           3HG      LYS  14  -8.493  -3.451 -10.462
  108    HD2  LYS  14           2HD      LYS  14  -7.331  -3.181 -12.497
  109    HD3  LYS  14           3HD      LYS  14  -9.035  -3.305 -12.939
  110    HE2  LYS  14           2HE      LYS  14  -8.277  -1.519 -14.220
  111    HE3  LYS  14           3HE      LYS  14  -9.025  -0.732 -12.831
  112    HZ1  LYS  14           3HZ      LYS  14  -6.604  -0.122 -13.697
  113    HZ2  LYS  14           1HZ      LYS  14  -6.189  -1.345 -12.605
  114    HZ3  LYS  14           2HZ      LYS  14  -7.050   0.009 -12.071
  115    H    LYS  15           H        LYS  15 -11.762  -0.771  -7.673
  116    HA   LYS  15           HA       LYS  15 -14.491  -1.307  -8.438
  117    HB2  LYS  15           2HB      LYS  15 -13.249   0.470  -6.340
  118    HB3  LYS  15           3HB      LYS  15 -14.984   0.394  -6.616
  119    HG2  LYS  15           2HG      LYS  15 -15.188  -1.649  -5.667
  120    HG3  LYS  15           3HG      LYS  15 -13.591  -2.179  -6.199
  121    HD2  LYS  15           2HD      LYS  15 -13.648  -1.949  -3.779
  122    HD3  LYS  15           3HD      LYS  15 -12.561  -0.751  -4.486
  123    HE2  LYS  15           2HE      LYS  15 -15.183   0.357  -4.347
  124    HE3  LYS  15           3HE      LYS  15 -14.778  -0.329  -2.775
  125    HZ1  LYS  15           3HZ      LYS  15 -12.542   1.055  -3.719
  126    HZ2  LYS  15           1HZ      LYS  15 -13.515   1.427  -2.385
  127    HZ3  LYS  15           2HZ      LYS  15 -13.881   2.072  -3.905
  128    H    ARG  16           H        ARG  16 -13.071   1.869  -7.754
  129    HA   ARG  16           HA       ARG  16 -14.719   3.080  -9.785
  130    HB2  ARG  16           2HB      ARG  16 -12.678   4.196  -7.862
  131    HB3  ARG  16           3HB      ARG  16 -13.534   5.188  -9.035
  132    HG2  ARG  16           2HG      ARG  16 -14.804   3.566  -6.838
  133    HG3  ARG  16           3HG      ARG  16 -14.567   5.315  -6.836
  134    HD2  ARG  16           2HD      ARG  16 -16.361   3.679  -8.610
  135    HD3  ARG  16           3HD      ARG  16 -16.815   4.948  -7.473
  136    HE   ARG  16           HE       ARG  16 -16.005   5.293 -10.177
  137   HH11  ARG  16          1HH1      ARG  16 -15.877   6.763  -7.025
  138   HH12  ARG  16          2HH1      ARG  16 -15.729   8.377  -7.639
  139   HH21  ARG  16          1HH2      ARG  16 -15.810   7.412 -10.999
  140   HH22  ARG  16          2HH2      ARG  16 -15.692   8.744  -9.900
  141    H    ILE  17           H        ILE  17 -11.300   2.362  -9.319
  142    HA   ILE  17           HA       ILE  17 -10.238   3.786 -11.467
  143    HB   ILE  17           HB       ILE  17  -8.464   1.926 -11.473
  144   HG12  ILE  17          2HG1      ILE  17 -10.391   0.527 -10.110
  145   HG13  ILE  17          3HG1      ILE  17  -8.677   0.127 -10.130
  146   HG21  ILE  17          1HG2      ILE  17  -8.052   3.998 -10.370
  147   HG22  ILE  17          2HG2      ILE  17  -9.093   3.553  -9.020
  148   HG23  ILE  17          3HG2      ILE  17  -7.566   2.708  -9.270
  149   HD11  ILE  17          3HD1      ILE  17  -8.317   1.203  -8.053
  150   HD12  ILE  17          1HD1      ILE  17  -9.923   1.931  -8.078
  151   HD13  ILE  17          2HD1      ILE  17  -9.747   0.188  -7.871
  152    H    SER  18           H        SER  18 -11.790   0.631 -11.359
  153    HA   SER  18           HA       SER  18 -11.109  -0.282 -13.913
  154    HB2  SER  18           2HB      SER  18 -12.085  -1.923 -12.593
  155    HB3  SER  18           3HB      SER  18 -13.363  -0.850 -12.022
  156    HG   SER  18           HG       SER  18 -14.484  -1.184 -13.835
  157    H    VAL  19           H        VAL  19 -14.226   1.159 -12.936
  158    HA   VAL  19           HA       VAL  19 -15.199   1.534 -15.533
  159    HB   VAL  19           HB       VAL  19 -16.695   1.618 -13.635
  160   HG11  VAL  19          1HG1      VAL  19 -16.687   3.398 -12.019
  161   HG12  VAL  19          2HG1      VAL  19 -15.082   2.667 -12.064
  162   HG13  VAL  19          3HG1      VAL  19 -15.370   4.213 -12.861
  163   HG21  VAL  19          3HG2      VAL  19 -17.188   4.356 -14.323
  164   HG22  VAL  19          1HG2      VAL  19 -16.675   3.462 -15.754
  165   HG23  VAL  19          2HG2      VAL  19 -18.064   2.908 -14.819
  166    H    LYS  20           H        LYS  20 -13.308   3.654 -13.437
  167    HA   LYS  20           HA       LYS  20 -13.450   5.978 -15.009
  168    HB2  LYS  20           2HB      LYS  20 -12.638   5.906 -12.665
  169    HB3  LYS  20           3HB      LYS  20 -11.183   5.087 -13.217
  170    HG2  LYS  20           2HG      LYS  20 -10.328   6.975 -14.206
  171    HG3  LYS  20           3HG      LYS  20 -11.917   7.716 -14.413
  172    HD2  LYS  20           2HD      LYS  20 -12.025   8.401 -12.193
  173    HD3  LYS  20           3HD      LYS  20 -10.809   7.232 -11.672
  174    HE2  LYS  20           2HE      LYS  20  -9.086   8.495 -12.862
  175    HE3  LYS  20           3HE      LYS  20 -10.300   9.655 -13.398
  176    HZ1  LYS  20           3HZ      LYS  20 -10.356  10.651 -11.400
  177    HZ2  LYS  20           1HZ      LYS  20  -8.818   9.971 -11.211
  178    HZ3  LYS  20           2HZ      LYS  20 -10.168   9.209 -10.535
  179    H    LYS  21           H        LYS  21 -11.214   3.243 -15.062
  180    HA   LYS  21           HA       LYS  21  -9.457   4.333 -17.006
  181    HB2  LYS  21           2HB      LYS  21  -8.822   2.495 -15.485
  182    HB3  LYS  21           3HB      LYS  21  -9.967   1.437 -16.298
  183    HG2  LYS  21           2HG      LYS  21  -7.879   2.771 -17.936
  184    HG3  LYS  21           3HG      LYS  21  -7.406   1.423 -16.899
  185    HD2  LYS  21           2HD      LYS  21  -9.461   0.237 -17.984
  186    HD3  LYS  21           3HD      LYS  21  -9.264   1.458 -19.243
  187    HE2  LYS  21           2HE      LYS  21  -6.972  -0.237 -18.297
  188    HE3  LYS  21           3HE      LYS  21  -8.071  -0.782 -19.562
  189    HZ1  LYS  21           3HZ      LYS  21  -6.481   0.229 -20.812
  190    HZ2  LYS  21           1HZ      LYS  21  -6.085   1.366 -19.624
  191    HZ3  LYS  21           2HZ      LYS  21  -7.488   1.562 -20.547
  192    H    LYS  22           H        LYS  22 -12.271   2.199 -17.195
  193    HA   LYS  22           HA       LYS  22 -12.071   1.752 -20.001
  194    HB2  LYS  22           2HB      LYS  22 -14.197   1.295 -17.936
  195    HB3  LYS  22           3HB      LYS  22 -14.575   1.105 -19.643
  196    HG2  LYS  22           2HG      LYS  22 -12.678  -0.516 -19.797
  197    HG3  LYS  22           3HG      LYS  22 -12.538  -0.421 -18.040
  198    HD2  LYS  22           2HD      LYS  22 -14.729  -1.313 -17.742
  199    HD3  LYS  22           3HD      LYS  22 -15.085  -1.172 -19.465
  200    HE2  LYS  22           2HE      LYS  22 -12.793  -2.851 -18.526
  201    HE3  LYS  22           3HE      LYS  22 -14.438  -3.484 -18.470
  202    HZ1  LYS  22           3HZ      LYS  22 -13.624  -2.252 -20.974
  203    HZ2  LYS  22           1HZ      LYS  22 -14.549  -3.643 -20.699
  204    HZ3  LYS  22           2HZ      LYS  22 -12.862  -3.712 -20.589
  205    H    GLN  23           H        GLN  23 -13.253   4.334 -18.084
  206    HA   GLN  23           HA       GLN  23 -15.160   5.377 -19.924
  207    HB2  GLN  23           2HB      GLN  23 -13.743   6.456 -17.512
  208    HB3  GLN  23           3HB      GLN  23 -14.673   7.538 -18.541
  209    HG2  GLN  23           2HG      GLN  23 -15.987   5.046 -17.625
  210    HG3  GLN  23           3HG      GLN  23 -15.726   6.324 -16.440
  211   HE21  GLN  23          1HE2      GLN  23 -18.135   6.180 -16.472
  212   HE22  GLN  23          2HE2      GLN  23 -18.975   7.183 -17.601
  213    H    GLU  24           H        GLU  24 -14.817   6.414 -21.768
  214    HA   GLU  24           HA       GLU  24 -12.192   6.966 -22.709
  215    HB2  GLU  24           2HB      GLU  24 -13.237   7.727 -24.719
  216    HB3  GLU  24           3HB      GLU  24 -14.146   6.334 -24.149
  217    HG2  GLU  24           2HG      GLU  24 -15.696   8.052 -23.044
  218    HG3  GLU  24           3HG      GLU  24 -14.915   9.226 -24.101
  219    H    GLN  25           H        GLN  25 -11.386   9.049 -23.412
  220    HA   GLN  25           HA       GLN  25 -11.558  11.012 -21.389
  221    HB2  GLN  25           2HB      GLN  25 -10.213  10.801 -24.039
  222    HB3  GLN  25           3HB      GLN  25 -10.361  12.397 -23.316
  223    HG2  GLN  25           2HG      GLN  25  -9.019   9.991 -22.106
  224    HG3  GLN  25           3HG      GLN  25  -8.233  11.432 -22.749
  225   HE21  GLN  25          1HE2      GLN  25  -8.201  13.298 -21.549
  226   HE22  GLN  25          2HE2      GLN  25  -8.682  13.359 -19.891
  227    HA   PRO  26           HA       PRO  26 -14.842  13.639 -22.631
  228    HB2  PRO  26           2HB      PRO  26 -13.834  16.113 -22.143
  229    HB3  PRO  26           3HB      PRO  26 -14.304  14.996 -20.856
  230    HG2  PRO  26           2HG      PRO  26 -11.583  15.579 -21.958
  231    HG3  PRO  26           3HG      PRO  26 -12.087  15.381 -20.269
  232    HD2  PRO  26           2HD      PRO  26 -10.866  13.409 -21.666
  233    HD3  PRO  26           3HD      PRO  26 -12.069  13.080 -20.402
  Start of MODEL    7
    1    H1   VAL   1           H        VAL   1   2.122   0.141   0.540
    2    HA   VAL   1           HA       VAL   1   2.089   0.656  -2.229
    3    HB   VAL   1           HB       VAL   1   4.420  -0.167  -2.232
    4   HG11  VAL   1          1HG1      VAL   1   5.248   1.674  -1.157
    5   HG12  VAL   1          2HG1      VAL   1   3.544   2.122  -1.256
    6   HG13  VAL   1          3HG1      VAL   1   4.200   1.465   0.245
    7   HG21  VAL   1          3HG2      VAL   1   4.490  -1.977  -0.775
    8   HG22  VAL   1          1HG2      VAL   1   5.327  -0.713   0.126
    9   HG23  VAL   1          2HG2      VAL   1   3.651  -1.105   0.507
   10    H    SER   2           H        SER   2   1.779  -2.283  -0.377
   11    HA   SER   2           HA       SER   2   2.196  -4.028  -2.631
   12    HB2  SER   2           2HB      SER   2   1.170  -4.545   0.167
   13    HB3  SER   2           3HB      SER   2   1.425  -5.808  -1.037
   14    HG   SER   2           HG       SER   2   3.189  -5.024   0.610
   15    H    VAL   3           H        VAL   3  -0.426  -2.277  -1.301
   16    HA   VAL   3           HA       VAL   3  -2.497  -3.975  -2.382
   17    HB   VAL   3           HB       VAL   3  -4.043  -2.183  -1.681
   18   HG11  VAL   3          1HG1      VAL   3  -3.177  -3.982  -0.129
   19   HG12  VAL   3          2HG1      VAL   3  -2.087  -2.761   0.531
   20   HG13  VAL   3          3HG1      VAL   3  -3.834  -2.541   0.646
   21   HG21  VAL   3          3HG2      VAL   3  -2.386  -0.556  -0.101
   22   HG22  VAL   3          1HG2      VAL   3  -1.629  -0.633  -1.692
   23   HG23  VAL   3          2HG2      VAL   3  -3.301  -0.092  -1.536
   24    H    ASP   4           H        ASP   4  -0.573  -1.333  -3.461
   25    HA   ASP   4           HA       ASP   4  -2.249  -0.184  -5.384
   26    HB2  ASP   4           2HB      ASP   4   0.466   0.041  -4.601
   27    HB3  ASP   4           3HB      ASP   4   0.451  -0.219  -6.343
   28    HA   PRO   5           HA       PRO   5  -0.345  -3.339  -8.530
   29    HB2  PRO   5           2HB      PRO   5   0.901  -5.508  -7.473
   30    HB3  PRO   5           3HB      PRO   5   1.748  -4.004  -7.855
   31    HG2  PRO   5           2HG      PRO   5   0.729  -4.986  -5.217
   32    HG3  PRO   5           3HG      PRO   5   2.274  -4.204  -5.599
   33    HD2  PRO   5           2HD      PRO   5   0.196  -2.864  -4.495
   34    HD3  PRO   5           3HD      PRO   5   1.347  -2.093  -5.605
   35    H    PHE   6           H        PHE   6  -1.660  -4.481  -5.481
   36    HA   PHE   6           HA       PHE   6  -2.796  -6.887  -6.375
   37    HB2  PHE   6           2HB      PHE   6  -2.529  -5.974  -3.966
   38    HB3  PHE   6           3HB      PHE   6  -4.069  -5.172  -4.258
   39    HD1  PHE   6           HD1      PHE   6  -2.389  -8.410  -3.876
   40    HD2  PHE   6           HD2      PHE   6  -6.115  -6.409  -4.356
   41    HE1  PHE   6           HE1      PHE   6  -3.574 -10.476  -3.260
   42    HE2  PHE   6           HE2      PHE   6  -7.306  -8.472  -3.739
   43    HZ   PHE   6           HZ       PHE   6  -6.035 -10.509  -3.189
   44    H    TYR   7           H        TYR   7  -4.344  -3.705  -5.924
   45    HA   TYR   7           HA       TYR   7  -6.747  -4.524  -7.245
   46    HB2  TYR   7           2HB      TYR   7  -7.611  -2.535  -6.552
   47    HB3  TYR   7           3HB      TYR   7  -6.215  -2.567  -5.480
   48    HD1  TYR   7           HD1      TYR   7  -4.267  -1.147  -5.932
   49    HD2  TYR   7           HD2      TYR   7  -7.741  -0.974  -8.382
   50    HE1  TYR   7           HE1      TYR   7  -3.491   0.989  -6.871
   51    HE2  TYR   7           HE2      TYR   7  -6.975   1.163  -9.328
   52    HH   TYR   7           HH       TYR   7  -5.481   2.827  -9.144
   53    H    GLU   8           H        GLU   8  -3.717  -3.338  -8.281
   54    HA   GLU   8           HA       GLU   8  -4.614  -2.115 -10.714
   55    HB2  GLU   8           2HB      GLU   8  -2.010  -2.712  -9.438
   56    HB3  GLU   8           3HB      GLU   8  -2.005  -2.619 -11.194
   57    HG2  GLU   8           2HG      GLU   8  -2.960  -0.382 -11.090
   58    HG3  GLU   8           3HG      GLU   8  -2.995  -0.473  -9.330
   59    H    MET   9           H        MET   9  -3.243  -5.251  -9.819
   60    HA   MET   9           HA       MET   9  -3.294  -6.219 -12.535
   61    HB2  MET   9           2HB      MET   9  -2.517  -8.326 -11.589
   62    HB3  MET   9           3HB      MET   9  -1.574  -6.984 -10.954
   63    HG2  MET   9           2HG      MET   9  -3.314  -7.083  -9.003
   64    HG3  MET   9           3HG      MET   9  -3.551  -8.731  -9.581
   65    HE1  MET   9           3HE      MET   9  -1.877 -10.757  -8.575
   66    HE2  MET   9           1HE      MET   9  -1.549 -10.201 -10.217
   67    HE3  MET   9           2HE      MET   9  -0.217 -10.451  -9.088
   68    H    LEU  10           H        LEU  10  -5.201  -6.671  -9.593
   69    HA   LEU  10           HA       LEU  10  -6.982  -8.560 -10.845
   70    HB2  LEU  10           2HB      LEU  10  -6.902  -7.191  -8.180
   71    HB3  LEU  10           3HB      LEU  10  -8.313  -8.118  -8.685
   72    HG   LEU  10           HG       LEU  10  -5.951  -9.702  -9.039
   73   HD11  LEU  10          1HD1      LEU  10  -5.611  -9.882  -6.462
   74   HD12  LEU  10          2HD1      LEU  10  -6.190  -8.217  -6.462
   75   HD13  LEU  10          3HD1      LEU  10  -4.750  -8.649  -7.383
   76   HD21  LEU  10          3HD2      LEU  10  -8.360  -9.902  -7.237
   77   HD22  LEU  10          1HD2      LEU  10  -7.173 -11.186  -7.470
   78   HD23  LEU  10          2HD2      LEU  10  -8.155 -10.636  -8.829
   79    H    ALA  11           H        ALA  11  -8.793  -8.127 -11.929
   80    HA   ALA  11           HA       ALA  11  -9.538  -5.386 -12.414
   81    HB1  ALA  11           1HB      ALA  11 -11.193  -6.350 -13.960
   82    HB2  ALA  11           2HB      ALA  11  -9.564  -6.962 -14.251
   83    HB3  ALA  11           3HB      ALA  11 -10.745  -7.964 -13.408
   84    H    ALA  12           H        ALA  12 -10.927  -8.178 -10.753
   85    HA   ALA  12           HA       ALA  12 -13.438  -7.045 -10.171
   86    HB1  ALA  12           1HB      ALA  12 -12.111  -9.473  -9.654
   87    HB2  ALA  12           2HB      ALA  12 -12.639  -8.840  -8.094
   88    HB3  ALA  12           3HB      ALA  12 -13.811  -9.086  -9.388
   89    H    ARG  13           H        ARG  13 -10.320  -6.473  -8.865
   90    HA   ARG  13           HA       ARG  13 -11.217  -5.491  -6.314
   91    HB2  ARG  13           2HB      ARG  13  -8.672  -5.977  -7.639
   92    HB3  ARG  13           3HB      ARG  13  -8.676  -4.458  -6.753
   93    HG2  ARG  13           2HG      ARG  13  -9.363  -7.162  -5.619
   94    HG3  ARG  13           3HG      ARG  13  -7.847  -6.290  -5.383
   95    HD2  ARG  13           2HD      ARG  13  -9.420  -4.392  -4.512
   96    HD3  ARG  13           3HD      ARG  13 -10.564  -5.714  -4.286
   97    HE   ARG  13           HE       ARG  13  -9.285  -6.494  -2.540
   98   HH11  ARG  13          1HH1      ARG  13  -7.531  -4.044  -4.284
   99   HH12  ARG  13          2HH1      ARG  13  -6.275  -3.914  -3.098
  100   HH21  ARG  13          1HH2      ARG  13  -7.637  -6.332  -0.971
  101   HH22  ARG  13          2HH2      ARG  13  -6.336  -5.216  -1.215
  102    H    LYS  14           H        LYS  14 -10.253  -4.090  -9.406
  103    HA   LYS  14           HA       LYS  14 -10.214  -1.397  -8.645
  104    HB2  LYS  14           2HB      LYS  14 -10.937  -2.608 -11.320
  105    HB3  LYS  14           3HB      LYS  14 -10.552  -0.913 -11.049
  106    HG2  LYS  14           2HG      LYS  14  -8.300  -1.477 -10.412
  107    HG3  LYS  14           3HG      LYS  14  -8.667  -3.201 -10.517
  108    HD2  LYS  14           2HD      LYS  14  -7.647  -2.828 -12.550
  109    HD3  LYS  14           3HD      LYS  14  -9.347  -2.608 -12.971
  110    HE2  LYS  14           2HE      LYS  14  -9.144  -0.261 -12.987
  111    HE3  LYS  14           3HE      LYS  14  -7.592  -0.310 -12.153
  112    HZ1  LYS  14           3HZ      LYS  14  -7.504  -1.768 -14.595
  113    HZ2  LYS  14           1HZ      LYS  14  -6.528  -0.488 -14.075
  114    HZ3  LYS  14           2HZ      LYS  14  -7.991  -0.170 -14.863
  115    H    LYS  15           H        LYS  15 -11.891  -0.681  -7.424
  116    HA   LYS  15           HA       LYS  15 -14.629  -1.255  -8.133
  117    HB2  LYS  15           2HB      LYS  15 -13.519   0.627  -6.041
  118    HB3  LYS  15           3HB      LYS  15 -15.197   0.118  -6.183
  119    HG2  LYS  15           2HG      LYS  15 -12.868  -1.702  -5.608
  120    HG3  LYS  15           3HG      LYS  15 -14.008  -1.080  -4.412
  121    HD2  LYS  15           2HD      LYS  15 -15.555  -2.605  -4.949
  122    HD3  LYS  15           3HD      LYS  15 -15.326  -2.346  -6.680
  123    HE2  LYS  15           2HE      LYS  15 -13.780  -4.011  -6.863
  124    HE3  LYS  15           3HE      LYS  15 -13.191  -3.794  -5.216
  125    HZ1  LYS  15           3HZ      LYS  15 -14.618  -5.868  -5.880
  126    HZ2  LYS  15           1HZ      LYS  15 -15.910  -4.815  -5.592
  127    HZ3  LYS  15           2HZ      LYS  15 -14.796  -5.143  -4.362
  128    H    ARG  16           H        ARG  16 -13.332   1.931  -7.295
  129    HA   ARG  16           HA       ARG  16 -15.029   3.163  -9.282
  130    HB2  ARG  16           2HB      ARG  16 -13.177   4.218  -7.160
  131    HB3  ARG  16           3HB      ARG  16 -13.883   5.283  -8.368
  132    HG2  ARG  16           2HG      ARG  16 -15.432   3.548  -6.455
  133    HG3  ARG  16           3HG      ARG  16 -15.151   5.281  -6.276
  134    HD2  ARG  16           2HD      ARG  16 -16.755   3.863  -8.388
  135    HD3  ARG  16           3HD      ARG  16 -17.316   5.042  -7.204
  136    HE   ARG  16           HE       ARG  16 -16.180   5.595  -9.750
  137   HH11  ARG  16          1HH1      ARG  16 -16.383   6.777  -6.481
  138   HH12  ARG  16          2HH1      ARG  16 -16.120   8.431  -6.925
  139   HH21  ARG  16          1HH2      ARG  16 -15.833   7.770 -10.346
  140   HH22  ARG  16          2HH2      ARG  16 -15.808   8.995  -9.123
  141    H    ILE  17           H        ILE  17 -11.749   2.163  -9.017
  142    HA   ILE  17           HA       ILE  17 -10.644   3.935 -10.959
  143    HB   ILE  17           HB       ILE  17  -8.820   2.111 -11.059
  144   HG12  ILE  17          2HG1      ILE  17 -10.699   0.603  -9.773
  145   HG13  ILE  17          3HG1      ILE  17  -8.970   0.273  -9.752
  146   HG21  ILE  17          1HG2      ILE  17  -8.436   4.143  -9.888
  147   HG22  ILE  17          2HG2      ILE  17  -9.489   3.651  -8.563
  148   HG23  ILE  17          3HG2      ILE  17  -7.949   2.830  -8.816
  149   HD11  ILE  17          3HD1      ILE  17 -10.331   1.980  -7.692
  150   HD12  ILE  17          1HD1      ILE  17 -10.133   0.236  -7.527
  151   HD13  ILE  17          2HD1      ILE  17  -8.715   1.278  -7.632
  152    H    SER  18           H        SER  18 -12.092   0.732 -11.065
  153    HA   SER  18           HA       SER  18 -11.351  -0.007 -13.655
  154    HB2  SER  18           2HB      SER  18 -12.305  -1.753 -12.468
  155    HB3  SER  18           3HB      SER  18 -13.606  -0.748 -11.831
  156    HG   SER  18           HG       SER  18 -13.713  -2.356 -13.896
  157    H    VAL  19           H        VAL  19 -14.436   1.441 -12.595
  158    HA   VAL  19           HA       VAL  19 -15.463   1.874 -15.169
  159    HB   VAL  19           HB       VAL  19 -16.915   1.945 -13.235
  160   HG11  VAL  19          1HG1      VAL  19 -15.254   2.941 -11.682
  161   HG12  VAL  19          2HG1      VAL  19 -15.534   4.506 -12.447
  162   HG13  VAL  19          3HG1      VAL  19 -16.845   3.695 -11.589
  163   HG21  VAL  19          3HG2      VAL  19 -17.157   4.761 -14.054
  164   HG22  VAL  19          1HG2      VAL  19 -17.090   3.591 -15.372
  165   HG23  VAL  19          2HG2      VAL  19 -18.334   3.450 -14.130
  166    H    LYS  20           H        LYS  20 -13.491   3.915 -13.069
  167    HA   LYS  20           HA       LYS  20 -13.621   6.274 -14.587
  168    HB2  LYS  20           2HB      LYS  20 -11.700   5.180 -12.569
  169    HB3  LYS  20           3HB      LYS  20 -11.271   6.631 -13.466
  170    HG2  LYS  20           2HG      LYS  20 -13.089   7.839 -12.580
  171    HG3  LYS  20           3HG      LYS  20 -13.856   6.375 -11.959
  172    HD2  LYS  20           2HD      LYS  20 -12.919   7.236 -10.040
  173    HD3  LYS  20           3HD      LYS  20 -11.636   6.155 -10.588
  174    HE2  LYS  20           2HE      LYS  20 -11.674   9.022 -11.445
  175    HE3  LYS  20           3HE      LYS  20 -11.047   8.576  -9.859
  176    HZ1  LYS  20           3HZ      LYS  20  -9.796   8.362 -12.384
  177    HZ2  LYS  20           1HZ      LYS  20  -9.901   6.830 -11.673
  178    HZ3  LYS  20           2HZ      LYS  20  -9.141   8.095 -10.847
  179    H    LYS  21           H        LYS  21 -11.445   3.497 -14.751
  180    HA   LYS  21           HA       LYS  21  -9.717   4.603 -16.718
  181    HB2  LYS  21           2HB      LYS  21  -9.059   2.741 -15.236
  182    HB3  LYS  21           3HB      LYS  21 -10.233   1.702 -16.034
  183    HG2  LYS  21           2HG      LYS  21  -8.190   3.039 -17.721
  184    HG3  LYS  21           3HG      LYS  21  -7.678   1.696 -16.696
  185    HD2  LYS  21           2HD      LYS  21  -9.696   0.446 -17.703
  186    HD3  LYS  21           3HD      LYS  21  -9.671   1.706 -18.939
  187    HE2  LYS  21           2HE      LYS  21  -8.401  -0.169 -19.731
  188    HE3  LYS  21           3HE      LYS  21  -7.290   1.152 -19.375
  189    HZ1  LYS  21           3HZ      LYS  21  -6.316   0.000 -17.734
  190    HZ2  LYS  21           1HZ      LYS  21  -6.964  -1.355 -18.512
  191    HZ3  LYS  21           2HZ      LYS  21  -7.764  -0.680 -17.184
  192    H    LYS  22           H        LYS  22 -12.581   2.542 -16.855
  193    HA   LYS  22           HA       LYS  22 -12.488   1.944 -19.599
  194    HB2  LYS  22           2HB      LYS  22 -13.928   0.703 -18.100
  195    HB3  LYS  22           3HB      LYS  22 -14.842   2.155 -17.714
  196    HG2  LYS  22           2HG      LYS  22 -15.648   2.270 -20.011
  197    HG3  LYS  22           3HG      LYS  22 -14.717   0.826 -20.414
  198    HD2  LYS  22           2HD      LYS  22 -16.714   0.780 -18.182
  199    HD3  LYS  22           3HD      LYS  22 -17.236   0.588 -19.857
  200    HE2  LYS  22           2HE      LYS  22 -15.042  -1.083 -18.666
  201    HE3  LYS  22           3HE      LYS  22 -16.740  -1.534 -18.524
  202    HZ1  LYS  22           3HZ      LYS  22 -16.703  -1.185 -21.086
  203    HZ2  LYS  22           1HZ      LYS  22 -16.132  -2.632 -20.420
  204    HZ3  LYS  22           2HZ      LYS  22 -15.039  -1.440 -20.915
  205    H    GLN  23           H        GLN  23 -13.266   4.837 -17.937
  206    HA   GLN  23           HA       GLN  23 -15.002   6.013 -19.839
  207    HB2  GLN  23           2HB      GLN  23 -13.146   7.325 -17.844
  208    HB3  GLN  23           3HB      GLN  23 -14.429   8.144 -18.725
  209    HG2  GLN  23           2HG      GLN  23 -15.769   6.066 -17.571
  210    HG3  GLN  23           3HG      GLN  23 -14.559   6.457 -16.349
  211   HE21  GLN  23          1HE2      GLN  23 -16.023   7.287 -14.900
  212   HE22  GLN  23          2HE2      GLN  23 -16.854   8.780 -15.154
  213    H    GLU  24           H        GLU  24 -14.419   6.207 -21.909
  214    HA   GLU  24           HA       GLU  24 -11.748   6.517 -22.798
  215    HB2  GLU  24           2HB      GLU  24 -13.934   5.675 -24.028
  216    HB3  GLU  24           3HB      GLU  24 -14.043   7.362 -24.509
  217    HG2  GLU  24           2HG      GLU  24 -12.923   6.130 -26.226
  218    HG3  GLU  24           3HG      GLU  24 -11.765   7.205 -25.446
  219    H    GLN  25           H        GLN  25 -10.806   8.326 -23.887
  220    HA   GLN  25           HA       GLN  25 -11.156  10.773 -22.505
  221    HB2  GLN  25           2HB      GLN  25  -9.471   9.825 -24.770
  222    HB3  GLN  25           3HB      GLN  25  -9.656  11.561 -24.558
  223    HG2  GLN  25           2HG      GLN  25  -7.651  10.664 -23.457
  224    HG3  GLN  25           3HG      GLN  25  -8.765  11.437 -22.331
  225   HE21  GLN  25          1HE2      GLN  25  -7.466   8.403 -23.453
  226   HE22  GLN  25          2HE2      GLN  25  -7.954   7.462 -22.088
  227    HA   PRO  26           HA       PRO  26 -14.131  12.959 -24.872
  228    HB2  PRO  26           2HB      PRO  26 -13.097  15.468 -24.945
  229    HB3  PRO  26           3HB      PRO  26 -13.782  14.754 -23.480
  230    HG2  PRO  26           2HG      PRO  26 -10.915  15.002 -24.304
  231    HG3  PRO  26           3HG      PRO  26 -11.651  15.282 -22.715
  232    HD2  PRO  26           2HD      PRO  26 -10.334  12.997 -23.328
  233    HD3  PRO  26           3HD      PRO  26 -11.710  13.034 -22.207
  Start of MODEL    8
    1    H1   VAL   1           H        VAL   1   2.184   0.671   0.212
    2    HA   VAL   1           HA       VAL   1   2.216   0.798  -2.603
    3    HB   VAL   1           HB       VAL   1   4.507  -0.098  -2.448
    4   HG11  VAL   1          1HG1      VAL   1   4.031   2.296  -2.053
    5   HG12  VAL   1          2HG1      VAL   1   3.941   1.965  -0.321
    6   HG13  VAL   1          3HG1      VAL   1   5.459   1.728  -1.188
    7   HG21  VAL   1          3HG2      VAL   1   4.293  -1.731  -0.724
    8   HG22  VAL   1          1HG2      VAL   1   5.432  -0.512  -0.153
    9   HG23  VAL   1          2HG2      VAL   1   3.773  -0.517   0.445
   10    H    SER   2           H        SER   2   1.700  -1.824  -0.373
   11    HA   SER   2           HA       SER   2   2.104  -3.896  -2.334
   12    HB2  SER   2           2HB      SER   2   2.553  -4.341   0.034
   13    HB3  SER   2           3HB      SER   2   0.866  -4.011   0.428
   14    HG   SER   2           HG       SER   2   2.009  -6.274  -0.574
   15    H    VAL   3           H        VAL   3  -0.466  -1.844  -1.386
   16    HA   VAL   3           HA       VAL   3  -2.586  -3.577  -2.304
   17    HB   VAL   3           HB       VAL   3  -4.079  -1.712  -1.868
   18   HG11  VAL   3          1HG1      VAL   3  -2.661  -1.264   0.550
   19   HG12  VAL   3          2HG1      VAL   3  -4.026  -2.344   0.259
   20   HG13  VAL   3          3HG1      VAL   3  -2.375  -2.930   0.049
   21   HG21  VAL   3          3HG2      VAL   3  -2.639   0.087  -2.703
   22   HG22  VAL   3          1HG2      VAL   3  -3.249   0.443  -1.087
   23   HG23  VAL   3          2HG2      VAL   3  -1.587  -0.106  -1.301
   24    H    ASP   4           H        ASP   4  -0.479  -1.222  -3.664
   25    HA   ASP   4           HA       ASP   4  -2.018  -0.282  -5.804
   26    HB2  ASP   4           2HB      ASP   4   0.680  -0.087  -4.944
   27    HB3  ASP   4           3HB      ASP   4   0.706  -0.584  -6.634
   28    HA   PRO   5           HA       PRO   5  -0.177  -3.949  -8.380
   29    HB2  PRO   5           2HB      PRO   5   0.913  -5.998  -6.971
   30    HB3  PRO   5           3HB      PRO   5   1.852  -4.608  -7.528
   31    HG2  PRO   5           2HG      PRO   5   0.690  -5.147  -4.823
   32    HG3  PRO   5           3HG      PRO   5   2.287  -4.503  -5.246
   33    HD2  PRO   5           2HD      PRO   5   0.245  -2.920  -4.435
   34    HD3  PRO   5           3HD      PRO   5   1.475  -2.374  -5.594
   35    H    PHE   6           H        PHE   6  -1.631  -4.604  -5.245
   36    HA   PHE   6           HA       PHE   6  -2.865  -7.046  -5.826
   37    HB2  PHE   6           2HB      PHE   6  -2.655  -5.766  -3.576
   38    HB3  PHE   6           3HB      PHE   6  -4.155  -4.984  -4.062
   39    HD1  PHE   6           HD2      PHE   6  -2.595  -8.163  -3.105
   40    HD2  PHE   6           HD1      PHE   6  -6.233  -6.167  -4.053
   41    HE1  PHE   6           HE2      PHE   6  -3.869 -10.076  -2.228
   42    HE2  PHE   6           HE1      PHE   6  -7.513  -8.076  -3.177
   43    HZ   PHE   6           HZ       PHE   6  -6.331 -10.035  -2.264
   44    H    TYR   7           H        TYR   7  -4.345  -3.799  -5.852
   45    HA   TYR   7           HA       TYR   7  -6.698  -4.704  -7.182
   46    HB2  TYR   7           2HB      TYR   7  -7.504  -2.610  -6.812
   47    HB3  TYR   7           3HB      TYR   7  -6.143  -2.524  -5.700
   48    HD1  TYR   7           HD2      TYR   7  -4.069  -1.335  -6.381
   49    HD2  TYR   7           HD1      TYR   7  -7.587  -1.257  -8.772
   50    HE1  TYR   7           HE2      TYR   7  -3.190   0.611  -7.601
   51    HE2  TYR   7           HE1      TYR   7  -6.717   0.689 -10.000
   52    HH   TYR   7           HH       TYR   7  -4.797   2.659  -9.203
   53    H    GLU   8           H        GLU   8  -3.583  -3.743  -8.233
   54    HA   GLU   8           HA       GLU   8  -4.320  -2.864 -10.853
   55    HB2  GLU   8           2HB      GLU   8  -1.791  -3.426  -9.406
   56    HB3  GLU   8           3HB      GLU   8  -1.733  -3.525 -11.160
   57    HG2  GLU   8           2HG      GLU   8  -2.546  -1.250 -11.343
   58    HG3  GLU   8           3HG      GLU   8  -2.693  -1.143  -9.590
   59    H    MET   9           H        MET   9  -3.158  -5.905  -9.469
   60    HA   MET   9           HA       MET   9  -3.140  -7.243 -12.021
   61    HB2  MET   9           2HB      MET   9  -2.457  -9.198 -10.805
   62    HB3  MET   9           3HB      MET   9  -1.577  -7.819 -10.159
   63    HG2  MET   9           2HG      MET   9  -3.174  -7.707  -8.291
   64    HG3  MET   9           3HG      MET   9  -3.983  -9.138  -8.926
   65    HE1  MET   9           3HE      MET   9  -0.221  -8.126  -8.661
   66    HE2  MET   9           1HE      MET   9  -0.811  -7.750  -7.041
   67    HE3  MET   9           2HE      MET   9   0.324  -9.079  -7.279
   68    H    LEU  10           H        LEU  10  -5.241  -7.114  -9.190
   69    HA   LEU  10           HA       LEU  10  -7.052  -9.101 -10.226
   70    HB2  LEU  10           2HB      LEU  10  -6.887  -7.398  -7.800
   71    HB3  LEU  10           3HB      LEU  10  -8.476  -8.001  -8.268
   72    HG   LEU  10           HG       LEU  10  -6.958 -10.275  -8.352
   73   HD11  LEU  10          1HD1      LEU  10  -6.092  -8.903  -5.836
   74   HD12  LEU  10          2HD1      LEU  10  -5.122  -8.801  -7.305
   75   HD13  LEU  10          3HD1      LEU  10  -5.461 -10.373  -6.580
   76   HD21  LEU  10          3HD2      LEU  10  -8.155  -9.555  -5.741
   77   HD22  LEU  10          1HD2      LEU  10  -8.382 -10.991  -6.740
   78   HD23  LEU  10          2HD2      LEU  10  -9.209  -9.490  -7.154
   79    H    ALA  11           H        ALA  11  -8.843  -8.787 -11.405
   80    HA   ALA  11           HA       ALA  11  -9.338  -6.169 -12.503
   81    HB1  ALA  11           1HB      ALA  11  -9.811  -7.527 -14.211
   82    HB2  ALA  11           2HB      ALA  11 -10.056  -8.917 -13.153
   83    HB3  ALA  11           3HB      ALA  11 -11.369  -7.771 -13.421
   84    H    ALA  12           H        ALA  12 -11.260  -8.522 -10.639
   85    HA   ALA  12           HA       ALA  12 -13.533  -6.920 -10.312
   86    HB1  ALA  12           1HB      ALA  12 -12.559  -9.430  -9.299
   87    HB2  ALA  12           2HB      ALA  12 -13.355  -8.510  -8.021
   88    HB3  ALA  12           3HB      ALA  12 -14.219  -8.875  -9.514
   89    H    ARG  13           H        ARG  13 -10.437  -6.734  -8.849
   90    HA   ARG  13           HA       ARG  13 -11.182  -5.460  -6.421
   91    HB2  ARG  13           2HB      ARG  13  -8.665  -5.939  -7.912
   92    HB3  ARG  13           3HB      ARG  13  -8.660  -4.590  -6.784
   93    HG2  ARG  13           2HG      ARG  13  -9.725  -7.179  -5.813
   94    HG3  ARG  13           3HG      ARG  13  -7.983  -7.048  -6.066
   95    HD2  ARG  13           2HD      ARG  13  -8.550  -6.480  -3.775
   96    HD3  ARG  13           3HD      ARG  13  -7.935  -5.063  -4.626
   97    HE   ARG  13           HE       ARG  13 -10.703  -5.529  -3.795
   98   HH11  ARG  13          1HH1      ARG  13  -8.302  -3.465  -5.241
   99   HH12  ARG  13          2HH1      ARG  13  -9.281  -2.039  -5.145
  100   HH21  ARG  13          1HH2      ARG  13 -12.002  -3.659  -3.662
  101   HH22  ARG  13          2HH2      ARG  13 -11.385  -2.150  -4.246
  102    H    LYS  14           H        LYS  14 -10.099  -4.244  -9.573
  103    HA   LYS  14           HA       LYS  14 -10.029  -1.522  -8.923
  104    HB2  LYS  14           2HB      LYS  14 -10.652  -2.824 -11.580
  105    HB3  LYS  14           3HB      LYS  14 -10.228  -1.132 -11.357
  106    HG2  LYS  14           2HG      LYS  14  -8.024  -1.687 -10.672
  107    HG3  LYS  14           3HG      LYS  14  -8.426  -3.402 -10.555
  108    HD2  LYS  14           2HD      LYS  14  -8.927  -3.320 -13.034
  109    HD3  LYS  14           3HD      LYS  14  -8.189  -1.716 -13.039
  110    HE2  LYS  14           2HE      LYS  14  -6.338  -2.925 -13.539
  111    HE3  LYS  14           3HE      LYS  14  -6.255  -3.056 -11.783
  112    HZ1  LYS  14           3HZ      LYS  14  -6.085  -5.165 -13.282
  113    HZ2  LYS  14           1HZ      LYS  14  -7.774  -5.072 -13.277
  114    HZ3  LYS  14           2HZ      LYS  14  -6.931  -5.223 -11.818
  115    H    LYS  15           H        LYS  15 -11.730  -0.663  -7.856
  116    HA   LYS  15           HA       LYS  15 -14.450  -1.227  -8.637
  117    HB2  LYS  15           2HB      LYS  15 -13.286   0.674  -6.596
  118    HB3  LYS  15           3HB      LYS  15 -15.011   0.432  -6.845
  119    HG2  LYS  15           2HG      LYS  15 -13.048  -1.690  -5.998
  120    HG3  LYS  15           3HG      LYS  15 -14.176  -0.841  -4.938
  121    HD2  LYS  15           2HD      LYS  15 -14.925  -2.600  -7.274
  122    HD3  LYS  15           3HD      LYS  15 -15.031  -3.045  -5.569
  123    HE2  LYS  15           2HE      LYS  15 -16.556  -1.031  -5.296
  124    HE3  LYS  15           3HE      LYS  15 -16.619  -0.969  -7.057
  125    HZ1  LYS  15           3HZ      LYS  15 -17.672  -3.035  -5.241
  126    HZ2  LYS  15           1HZ      LYS  15 -17.288  -3.431  -6.840
  127    HZ3  LYS  15           2HZ      LYS  15 -18.447  -2.242  -6.519
  128    H    ARG  16           H        ARG  16 -13.041   1.968  -8.015
  129    HA   ARG  16           HA       ARG  16 -14.676   3.128 -10.087
  130    HB2  ARG  16           2HB      ARG  16 -14.370   4.370  -8.037
  131    HB3  ARG  16           3HB      ARG  16 -12.622   4.325  -8.223
  132    HG2  ARG  16           2HG      ARG  16 -12.616   6.118  -9.536
  133    HG3  ARG  16           3HG      ARG  16 -13.944   5.501 -10.521
  134    HD2  ARG  16           2HD      ARG  16 -15.447   6.762  -9.456
  135    HD3  ARG  16           3HD      ARG  16 -14.813   6.313  -7.873
  136    HE   ARG  16           HE       ARG  16 -14.317   8.729  -9.272
  137   HH11  ARG  16          1HH1      ARG  16 -12.804   6.392  -7.181
  138   HH12  ARG  16          2HH1      ARG  16 -11.678   7.527  -6.513
  139   HH21  ARG  16          1HH2      ARG  16 -12.840  10.231  -8.400
  140   HH22  ARG  16          2HH2      ARG  16 -11.699   9.710  -7.206
  141    H    ILE  17           H        ILE  17 -11.259   2.430  -9.575
  142    HA   ILE  17           HA       ILE  17 -10.182   3.805 -11.746
  143    HB   ILE  17           HB       ILE  17  -8.405   1.948 -11.693
  144   HG12  ILE  17          2HG1      ILE  17 -10.340   0.581 -10.310
  145   HG13  ILE  17          3HG1      ILE  17  -8.625   0.184 -10.306
  146   HG21  ILE  17          1HG2      ILE  17  -8.003   4.048 -10.641
  147   HG22  ILE  17          2HG2      ILE  17  -9.055   3.637  -9.288
  148   HG23  ILE  17          3HG2      ILE  17  -7.524   2.788  -9.504
  149   HD11  ILE  17          3HD1      ILE  17  -8.283   1.314  -8.254
  150   HD12  ILE  17          1HD1      ILE  17  -9.890   2.039  -8.311
  151   HD13  ILE  17          2HD1      ILE  17  -9.714   0.302  -8.058
  152    H    SER  18           H        SER  18 -11.725   0.648 -11.577
  153    HA   SER  18           HA       SER  18 -11.021  -0.321 -14.104
  154    HB2  SER  18           2HB      SER  18 -12.002  -1.932 -12.749
  155    HB3  SER  18           3HB      SER  18 -13.291  -0.852 -12.221
  156    HG   SER  18           HG       SER  18 -13.939  -2.512 -13.743
  157    H    VAL  19           H        VAL  19 -14.141   1.147 -13.180
  158    HA   VAL  19           HA       VAL  19 -15.106   1.450 -15.789
  159    HB   VAL  19           HB       VAL  19 -16.606   1.591 -13.899
  160   HG11  VAL  19          1HG1      VAL  19 -15.280   4.205 -13.197
  161   HG12  VAL  19          2HG1      VAL  19 -16.600   3.414 -12.333
  162   HG13  VAL  19          3HG1      VAL  19 -14.995   2.682 -12.355
  163   HG21  VAL  19          3HG2      VAL  19 -16.663   3.247 -16.102
  164   HG22  VAL  19          1HG2      VAL  19 -18.005   2.940 -14.999
  165   HG23  VAL  19          2HG2      VAL  19 -16.970   4.348 -14.759
  166    H    LYS  20           H        LYS  20 -13.216   3.625 -13.749
  167    HA   LYS  20           HA       LYS  20 -13.334   5.861 -15.491
  168    HB2  LYS  20           2HB      LYS  20 -12.772   6.172 -13.163
  169    HB3  LYS  20           3HB      LYS  20 -11.371   5.121 -13.316
  170    HG2  LYS  20           2HG      LYS  20 -10.188   6.702 -14.588
  171    HG3  LYS  20           3HG      LYS  20 -11.639   7.661 -14.891
  172    HD2  LYS  20           2HD      LYS  20 -11.749   8.271 -12.538
  173    HD3  LYS  20           3HD      LYS  20 -10.342   7.263 -12.194
  174    HE2  LYS  20           2HE      LYS  20  -8.987   8.671 -13.680
  175    HE3  LYS  20           3HE      LYS  20 -10.395   9.683 -13.995
  176    HZ1  LYS  20           3HZ      LYS  20  -9.830  10.868 -12.228
  177    HZ2  LYS  20           1HZ      LYS  20  -8.576   9.801 -11.837
  178    HZ3  LYS  20           2HZ      LYS  20 -10.136   9.527 -11.243
  179    H    LYS  21           H        LYS  21 -11.539   2.944 -15.542
  180    HA   LYS  21           HA       LYS  21  -9.365   3.942 -17.147
  181    HB2  LYS  21           2HB      LYS  21  -9.023   2.041 -15.645
  182    HB3  LYS  21           3HB      LYS  21 -10.229   1.111 -16.524
  183    HG2  LYS  21           2HG      LYS  21  -7.939   2.186 -18.067
  184    HG3  LYS  21           3HG      LYS  21  -7.632   0.844 -16.963
  185    HD2  LYS  21           2HD      LYS  21  -9.652  -0.278 -18.081
  186    HD3  LYS  21           3HD      LYS  21  -9.463   0.943 -19.342
  187    HE2  LYS  21           2HE      LYS  21  -7.317  -0.974 -18.437
  188    HE3  LYS  21           3HE      LYS  21  -8.312  -1.173 -19.878
  189    HZ1  LYS  21           3HZ      LYS  21  -7.383   0.814 -20.804
  190    HZ2  LYS  21           1HZ      LYS  21  -6.112  -0.199 -20.334
  191    HZ3  LYS  21           2HZ      LYS  21  -6.519   1.141 -19.387
  192    H    LYS  22           H        LYS  22 -12.248   1.947 -17.711
  193    HA   LYS  22           HA       LYS  22 -11.788   1.667 -20.509
  194    HB2  LYS  22           2HB      LYS  22 -14.203   1.207 -18.764
  195    HB3  LYS  22           3HB      LYS  22 -14.234   0.943 -20.502
  196    HG2  LYS  22           2HG      LYS  22 -12.473  -0.722 -20.297
  197    HG3  LYS  22           3HG      LYS  22 -12.398  -0.441 -18.556
  198    HD2  LYS  22           2HD      LYS  22 -15.019  -1.160 -19.779
  199    HD3  LYS  22           3HD      LYS  22 -13.810  -2.427 -19.562
  200    HE2  LYS  22           2HE      LYS  22 -13.632  -1.631 -17.155
  201    HE3  LYS  22           3HE      LYS  22 -15.092  -0.693 -17.465
  202    HZ1  LYS  22           3HZ      LYS  22 -15.746  -2.746 -16.512
  203    HZ2  LYS  22           1HZ      LYS  22 -14.791  -3.640 -17.585
  204    HZ3  LYS  22           2HZ      LYS  22 -16.158  -2.822 -18.151
  205    H    GLN  23           H        GLN  23 -13.112   4.146 -18.550
  206    HA   GLN  23           HA       GLN  23 -14.907   5.342 -20.349
  207    HB2  GLN  23           2HB      GLN  23 -13.338   6.326 -17.996
  208    HB3  GLN  23           3HB      GLN  23 -14.216   7.475 -18.997
  209    HG2  GLN  23           2HG      GLN  23 -15.674   5.083 -18.023
  210    HG3  GLN  23           3HG      GLN  23 -15.295   6.356 -16.864
  211   HE21  GLN  23          1HE2      GLN  23 -17.542   6.731 -16.648
  212   HE22  GLN  23          2HE2      GLN  23 -18.409   7.635 -17.838
  213    H    GLU  24           H        GLU  24 -14.574   6.333 -22.220
  214    HA   GLU  24           HA       GLU  24 -12.035   6.651 -23.369
  215    HB2  GLU  24           2HB      GLU  24 -13.216   7.958 -25.118
  216    HB3  GLU  24           3HB      GLU  24 -13.993   6.422 -24.761
  217    HG2  GLU  24           2HG      GLU  24 -15.505   7.758 -23.194
  218    HG3  GLU  24           3HG      GLU  24 -14.881   9.185 -24.021
  219    H    GLN  25           H        GLN  25 -14.162   8.948 -21.732
  220    HA   GLN  25           HA       GLN  25 -12.558  11.236 -22.243
  221    HB2  GLN  25           2HB      GLN  25 -14.879  10.590 -20.503
  222    HB3  GLN  25           3HB      GLN  25 -13.914  11.993 -20.061
  223    HG2  GLN  25           2HG      GLN  25 -14.238  12.865 -22.365
  224    HG3  GLN  25           3HG      GLN  25 -15.334  11.518 -22.670
  225   HE21  GLN  25          1HE2      GLN  25 -15.431  14.625 -22.213
  226   HE22  GLN  25          2HE2      GLN  25 -16.856  14.804 -21.252
  227    HA   PRO  26           HA       PRO  26  -9.405  11.018 -19.203
  228    HB2  PRO  26           2HB      PRO  26  -9.246  13.585 -18.334
  229    HB3  PRO  26           3HB      PRO  26  -8.689  13.075 -19.932
  230    HG2  PRO  26           2HG      PRO  26 -11.262  14.393 -19.155
  231    HG3  PRO  26           3HG      PRO  26 -10.208  14.728 -20.540
  232    HD2  PRO  26           2HD      PRO  26 -12.469  13.255 -20.754
  233    HD3  PRO  26           3HD      PRO  26 -11.038  12.958 -21.761
  Start of MODEL    9
    1    H1   VAL   1           H        VAL   1   1.950   0.376   1.182
    2    HA   VAL   1           HA       VAL   1   1.960   0.873  -1.585
    3    HB   VAL   1           HB       VAL   1   4.316   0.280  -1.549
    4   HG11  VAL   1          1HG1      VAL   1   3.816   2.456  -0.715
    5   HG12  VAL   1          2HG1      VAL   1   3.376   1.812   0.868
    6   HG13  VAL   1          3HG1      VAL   1   5.055   1.762   0.329
    7   HG21  VAL   1          3HG2      VAL   1   5.011  -0.367   1.003
    8   HG22  VAL   1          1HG2      VAL   1   3.496  -1.250   0.813
    9   HG23  VAL   1          2HG2      VAL   1   4.825  -1.526  -0.313
   10    H    SER   2           H        SER   2   1.600  -2.049   0.239
   11    HA   SER   2           HA       SER   2   2.256  -3.810  -1.945
   12    HB2  SER   2           2HB      SER   2   1.511  -5.603  -0.439
   13    HB3  SER   2           3HB      SER   2   2.620  -4.508   0.387
   14    HG   SER   2           HG       SER   2   0.860  -3.547   1.401
   15    H    VAL   3           H        VAL   3  -0.509  -2.092  -0.887
   16    HA   VAL   3           HA       VAL   3  -2.440  -3.838  -2.138
   17    HB   VAL   3           HB       VAL   3  -4.097  -2.175  -1.540
   18   HG11  VAL   3          1HG1      VAL   3  -4.096  -2.721   0.642
   19   HG12  VAL   3          2HG1      VAL   3  -2.669  -3.667   0.216
   20   HG13  VAL   3          3HG1      VAL   3  -2.485  -2.057   0.913
   21   HG21  VAL   3          3HG2      VAL   3  -3.249  -0.133  -0.230
   22   HG22  VAL   3          1HG2      VAL   3  -1.697  -0.459  -1.001
   23   HG23  VAL   3          2HG2      VAL   3  -3.115  -0.103  -1.988
   24    H    ASP   4           H        ASP   4  -0.470  -1.170  -3.059
   25    HA   ASP   4           HA       ASP   4  -1.977  -0.068  -5.141
   26    HB2  ASP   4           2HB      ASP   4   0.657   0.202  -4.117
   27    HB3  ASP   4           3HB      ASP   4   0.795  -0.056  -5.854
   28    HA   PRO   5           HA       PRO   5   0.262  -3.218  -8.064
   29    HB2  PRO   5           2HB      PRO   5   1.436  -5.356  -6.873
   30    HB3  PRO   5           3HB      PRO   5   2.292  -3.843  -7.189
   31    HG2  PRO   5           2HG      PRO   5   1.045  -4.819  -4.649
   32    HG3  PRO   5           3HG      PRO   5   2.607  -4.015  -4.891
   33    HD2  PRO   5           2HD      PRO   5   0.414  -2.699  -4.001
   34    HD3  PRO   5           3HD      PRO   5   1.653  -1.920  -5.006
   35    H    PHE   6           H        PHE   6  -1.214  -4.466  -5.111
   36    HA   PHE   6           HA       PHE   6  -2.267  -6.847  -6.138
   37    HB2  PHE   6           2HB      PHE   6  -2.165  -6.003  -3.696
   38    HB3  PHE   6           3HB      PHE   6  -3.691  -5.204  -4.059
   39    HD1  PHE   6           HD2      PHE   6  -5.690  -6.528  -4.581
   40    HD2  PHE   6           HD1      PHE   6  -2.035  -8.363  -3.401
   41    HE1  PHE   6           HE2      PHE   6  -6.899  -8.616  -4.096
   42    HE2  PHE   6           HE1      PHE   6  -3.238 -10.454  -2.916
   43    HZ   PHE   6           HZ       PHE   6  -5.673 -10.582  -3.262
   44    H    TYR   7           H        TYR   7  -3.861  -3.682  -5.745
   45    HA   TYR   7           HA       TYR   7  -6.181  -4.507  -7.209
   46    HB2  TYR   7           2HB      TYR   7  -7.106  -2.575  -6.477
   47    HB3  TYR   7           3HB      TYR   7  -5.711  -2.532  -5.404
   48    HD1  TYR   7           HD2      TYR   7  -3.818  -1.042  -5.886
   49    HD2  TYR   7           HD1      TYR   7  -7.311  -1.037  -8.316
   50    HE1  TYR   7           HE2      TYR   7  -3.137   1.115  -6.852
   51    HE2  TYR   7           HE1      TYR   7  -6.639   1.119  -9.289
   52    HH   TYR   7           HH       TYR   7  -4.019   2.978  -8.003
   53    H    GLU   8           H        GLU   8  -3.099  -3.371  -8.069
   54    HA   GLU   8           HA       GLU   8  -3.875  -2.107 -10.539
   55    HB2  GLU   8           2HB      GLU   8  -1.333  -2.656  -9.113
   56    HB3  GLU   8           3HB      GLU   8  -1.237  -2.510 -10.862
   57    HG2  GLU   8           2HG      GLU   8  -2.575  -0.438  -9.158
   58    HG3  GLU   8           3HG      GLU   8  -0.846  -0.411  -9.497
   59    H    MET   9           H        MET   9  -2.532  -5.219  -9.547
   60    HA   MET   9           HA       MET   9  -2.322  -6.181 -12.255
   61    HB2  MET   9           2HB      MET   9  -1.678  -8.313 -11.212
   62    HB3  MET   9           3HB      MET   9  -0.746  -6.966 -10.571
   63    HG2  MET   9           2HG      MET   9  -2.645  -6.977  -8.743
   64    HG3  MET   9           3HG      MET   9  -2.796  -8.656  -9.253
   65    HE1  MET   9           3HE      MET   9  -0.204 -10.438  -7.396
   66    HE2  MET   9           1HE      MET   9  -1.861 -10.325  -7.990
   67    HE3  MET   9           2HE      MET   9  -0.520 -10.415  -9.132
   68    H    LEU  10           H        LEU  10  -4.504  -6.655  -9.514
   69    HA   LEU  10           HA       LEU  10  -6.133  -8.574 -10.895
   70    HB2  LEU  10           2HB      LEU  10  -6.102  -7.273  -8.254
   71    HB3  LEU  10           3HB      LEU  10  -7.695  -7.722  -8.858
   72    HG   LEU  10           HG       LEU  10  -6.866  -9.471  -7.438
   73   HD11  LEU  10          1HD1      LEU  10  -8.080 -10.001  -9.610
   74   HD12  LEU  10          2HD1      LEU  10  -7.187 -11.317  -8.849
   75   HD13  LEU  10          3HD1      LEU  10  -6.505 -10.479 -10.243
   76   HD21  LEU  10          3HD2      LEU  10  -4.801 -10.619  -7.799
   77   HD22  LEU  10          1HD2      LEU  10  -4.454  -8.891  -7.727
   78   HD23  LEU  10          2HD2      LEU  10  -4.497  -9.718  -9.285
   79    H    ALA  11           H        ALA  11  -7.833  -8.217 -12.176
   80    HA   ALA  11           HA       ALA  11  -8.513  -5.509 -12.892
   81    HB1  ALA  11           1HB      ALA  11 -10.263  -6.923 -14.314
   82    HB2  ALA  11           2HB      ALA  11  -8.571  -6.758 -14.788
   83    HB3  ALA  11           3HB      ALA  11  -9.114  -8.211 -13.949
   84    H    ALA  12           H        ALA  12 -10.071  -8.206 -11.228
   85    HA   ALA  12           HA       ALA  12 -12.618  -6.986 -10.970
   86    HB1  ALA  12           1HB      ALA  12 -11.574  -9.481 -10.453
   87    HB2  ALA  12           2HB      ALA  12 -11.952  -8.859  -8.846
   88    HB3  ALA  12           3HB      ALA  12 -13.211  -8.943 -10.078
   89    H    ARG  13           H        ARG  13  -9.638  -6.548  -9.329
   90    HA   ARG  13           HA       ARG  13 -10.685  -5.598  -6.851
   91    HB2  ARG  13           2HB      ARG  13  -8.070  -5.938  -8.083
   92    HB3  ARG  13           3HB      ARG  13  -8.176  -4.442  -7.163
   93    HG2  ARG  13           2HG      ARG  13  -8.777  -7.204  -6.123
   94    HG3  ARG  13           3HG      ARG  13  -7.323  -6.259  -5.796
   95    HD2  ARG  13           2HD      ARG  13  -8.956  -4.472  -4.907
   96    HD3  ARG  13           3HD      ARG  13 -10.132  -5.784  -4.865
   97    HE   ARG  13           HE       ARG  13  -9.016  -6.700  -3.073
   98   HH11  ARG  13          1HH1      ARG  13  -7.102  -4.158  -4.486
   99   HH12  ARG  13          2HH1      ARG  13  -5.956  -4.121  -3.187
  100   HH21  ARG  13          1HH2      ARG  13  -7.514  -6.661  -1.357
  101   HH22  ARG  13          2HH2      ARG  13  -6.191  -5.545  -1.408
  102    H    LYS  14           H        LYS  14 -10.315  -4.235  -9.972
  103    HA   LYS  14           HA       LYS  14 -10.101  -1.499  -9.225
  104    HB2  LYS  14           2HB      LYS  14 -11.109  -2.756 -11.784
  105    HB3  LYS  14           3HB      LYS  14 -10.750  -1.048 -11.575
  106    HG2  LYS  14           2HG      LYS  14  -8.425  -1.509 -11.248
  107    HG3  LYS  14           3HG      LYS  14  -8.727  -3.248 -11.222
  108    HD2  LYS  14           2HD      LYS  14  -9.348  -3.243 -13.532
  109    HD3  LYS  14           3HD      LYS  14  -9.324  -1.479 -13.589
  110    HE2  LYS  14           2HE      LYS  14  -7.270  -1.854 -14.470
  111    HE3  LYS  14           3HE      LYS  14  -6.819  -1.907 -12.767
  112    HZ1  LYS  14           3HZ      LYS  14  -5.938  -3.776 -14.108
  113    HZ2  LYS  14           1HZ      LYS  14  -7.524  -4.305 -14.368
  114    HZ3  LYS  14           2HZ      LYS  14  -6.888  -4.276 -12.801
  115    H    LYS  15           H        LYS  15 -11.634  -0.824  -7.805
  116    HA   LYS  15           HA       LYS  15 -14.424  -1.458  -8.182
  117    HB2  LYS  15           2HB      LYS  15 -12.991   0.323  -6.207
  118    HB3  LYS  15           3HB      LYS  15 -14.731   0.069  -6.204
  119    HG2  LYS  15           2HG      LYS  15 -12.636  -2.061  -5.823
  120    HG3  LYS  15           3HG      LYS  15 -13.626  -1.335  -4.555
  121    HD2  LYS  15           2HD      LYS  15 -14.635  -2.948  -6.898
  122    HD3  LYS  15           3HD      LYS  15 -14.524  -3.500  -5.225
  123    HE2  LYS  15           2HE      LYS  15 -16.072  -1.642  -4.595
  124    HE3  LYS  15           3HE      LYS  15 -16.276  -1.301  -6.312
  125    HZ1  LYS  15           3HZ      LYS  15 -17.696  -3.115  -4.797
  126    HZ2  LYS  15           1HZ      LYS  15 -16.692  -4.054  -5.783
  127    HZ3  LYS  15           2HZ      LYS  15 -17.748  -2.930  -6.478
  128    H    ARG  16           H        ARG  16 -13.140   1.759  -7.472
  129    HA   ARG  16           HA       ARG  16 -15.076   2.949  -9.250
  130    HB2  ARG  16           2HB      ARG  16 -14.579   3.976  -7.076
  131    HB3  ARG  16           3HB      ARG  16 -12.909   4.220  -7.569
  132    HG2  ARG  16           2HG      ARG  16 -14.217   6.273  -7.734
  133    HG3  ARG  16           3HG      ARG  16 -13.622   5.751  -9.311
  134    HD2  ARG  16           2HD      ARG  16 -15.793   4.809  -9.847
  135    HD3  ARG  16           3HD      ARG  16 -16.394   5.230  -8.244
  136    HE   ARG  16           HE       ARG  16 -16.157   6.966 -10.505
  137   HH11  ARG  16          1HH1      ARG  16 -16.129   6.837  -7.026
  138   HH12  ARG  16          2HH1      ARG  16 -16.629   8.484  -6.831
  139   HH21  ARG  16          1HH2      ARG  16 -16.815   9.136 -10.261
  140   HH22  ARG  16          2HH2      ARG  16 -17.020   9.791  -8.672
  141    H    ILE  17           H        ILE  17 -11.771   2.021  -9.382
  142    HA   ILE  17           HA       ILE  17 -10.944   3.827 -11.432
  143    HB   ILE  17           HB       ILE  17  -9.094   2.060 -11.750
  144   HG12  ILE  17          2HG1      ILE  17 -10.769   0.486 -10.278
  145   HG13  ILE  17          3HG1      ILE  17  -9.039   0.210 -10.451
  146   HG21  ILE  17          1HG2      ILE  17  -7.995   2.786  -9.610
  147   HG22  ILE  17          2HG2      ILE  17  -8.634   4.091 -10.608
  148   HG23  ILE  17          3HG2      ILE  17  -9.518   3.562  -9.177
  149   HD11  ILE  17          3HD1      ILE  17  -9.958   0.123  -8.112
  150   HD12  ILE  17          1HD1      ILE  17  -8.578   1.192  -8.362
  151   HD13  ILE  17          2HD1      ILE  17 -10.204   1.865  -8.237
  152    H    SER  18           H        SER  18 -12.315   0.589 -11.375
  153    HA   SER  18           HA       SER  18 -11.862  -0.132 -14.037
  154    HB2  SER  18           2HB      SER  18 -12.620  -1.898 -12.736
  155    HB3  SER  18           3HB      SER  18 -13.879  -0.929 -11.970
  156    HG   SER  18           HG       SER  18 -14.359  -2.583 -13.780
  157    H    VAL  19           H        VAL  19 -14.835   1.238 -12.614
  158    HA   VAL  19           HA       VAL  19 -16.172   1.640 -15.047
  159    HB   VAL  19           HB       VAL  19 -17.385   1.674 -12.953
  160   HG11  VAL  19          1HG1      VAL  19 -15.577   2.719 -11.609
  161   HG12  VAL  19          2HG1      VAL  19 -15.991   4.275 -12.331
  162   HG13  VAL  19          3HG1      VAL  19 -17.166   3.428 -11.324
  163   HG21  VAL  19          3HG2      VAL  19 -18.039   3.124 -15.013
  164   HG22  VAL  19          1HG2      VAL  19 -18.906   3.330 -13.490
  165   HG23  VAL  19          2HG2      VAL  19 -17.651   4.480 -13.954
  166    H    LYS  20           H        LYS  20 -14.018   3.734 -13.191
  167    HA   LYS  20           HA       LYS  20 -14.391   6.079 -14.704
  168    HB2  LYS  20           2HB      LYS  20 -13.333   6.125 -12.513
  169    HB3  LYS  20           3HB      LYS  20 -11.996   5.149 -13.109
  170    HG2  LYS  20           2HG      LYS  20 -11.148   6.904 -14.408
  171    HG3  LYS  20           3HG      LYS  20 -12.647   7.828 -14.290
  172    HD2  LYS  20           2HD      LYS  20 -12.234   8.049 -11.839
  173    HD3  LYS  20           3HD      LYS  20 -10.663   7.281 -12.084
  174    HE2  LYS  20           2HE      LYS  20 -10.167   9.105 -13.754
  175    HE3  LYS  20           3HE      LYS  20 -11.630   9.910 -13.189
  176    HZ1  LYS  20           3HZ      LYS  20  -9.229  10.338 -12.143
  177    HZ2  LYS  20           1HZ      LYS  20  -9.754   9.090 -11.129
  178    HZ3  LYS  20           2HZ      LYS  20 -10.663  10.510 -11.263
  179    H    LYS  21           H        LYS  21 -12.141   3.377 -15.045
  180    HA   LYS  21           HA       LYS  21 -10.656   4.514 -17.186
  181    HB2  LYS  21           2HB      LYS  21  -9.810   2.691 -15.730
  182    HB3  LYS  21           3HB      LYS  21 -10.987   1.600 -16.449
  183    HG2  LYS  21           2HG      LYS  21  -9.122   3.036 -18.259
  184    HG3  LYS  21           3HG      LYS  21  -8.493   1.702 -17.290
  185    HD2  LYS  21           2HD      LYS  21 -10.651   0.483 -18.198
  186    HD3  LYS  21           3HD      LYS  21 -10.505   1.680 -19.487
  187    HE2  LYS  21           2HE      LYS  21  -9.304  -0.199 -20.239
  188    HE3  LYS  21           3HE      LYS  21  -8.083   0.947 -19.689
  189    HZ1  LYS  21           3HZ      LYS  21  -7.690  -0.289 -17.766
  190    HZ2  LYS  21           1HZ      LYS  21  -7.826  -1.460 -18.979
  191    HZ3  LYS  21           2HZ      LYS  21  -9.116  -1.185 -17.921
  192    H    LYS  22           H        LYS  22 -13.418   2.314 -17.019
  193    HA   LYS  22           HA       LYS  22 -13.577   1.669 -19.740
  194    HB2  LYS  22           2HB      LYS  22 -14.827   0.547 -17.880
  195    HB3  LYS  22           3HB      LYS  22 -15.894   1.944 -17.819
  196    HG2  LYS  22           2HG      LYS  22 -15.548   0.623 -20.445
  197    HG3  LYS  22           3HG      LYS  22 -16.468  -0.243 -19.212
  198    HD2  LYS  22           2HD      LYS  22 -17.109   2.623 -19.618
  199    HD3  LYS  22           3HD      LYS  22 -17.593   1.500 -20.891
  200    HE2  LYS  22           2HE      LYS  22 -18.893   0.213 -19.361
  201    HE3  LYS  22           3HE      LYS  22 -18.245   1.093 -17.979
  202    HZ1  LYS  22           3HZ      LYS  22 -19.935   2.285 -20.110
  203    HZ2  LYS  22           1HZ      LYS  22 -19.368   3.073 -18.724
  204    HZ3  LYS  22           2HZ      LYS  22 -20.489   1.815 -18.582
  205    H    GLN  23           H        GLN  23 -14.283   4.583 -18.083
  206    HA   GLN  23           HA       GLN  23 -16.213   5.655 -19.863
  207    HB2  GLN  23           2HB      GLN  23 -14.266   7.083 -18.045
  208    HB3  GLN  23           3HB      GLN  23 -15.658   7.820 -18.826
  209    HG2  GLN  23           2HG      GLN  23 -16.777   5.693 -17.521
  210    HG3  GLN  23           3HG      GLN  23 -15.501   6.194 -16.414
  211   HE21  GLN  23          1HE2      GLN  23 -15.783   7.970 -15.207
  212   HE22  GLN  23          2HE2      GLN  23 -17.153   9.017 -15.300
  213    H    GLU  24           H        GLU  24 -15.830   7.574 -21.251
  214    HA   GLU  24           HA       GLU  24 -13.826   7.002 -23.180
  215    HB2  GLU  24           2HB      GLU  24 -15.831   9.207 -22.825
  216    HB3  GLU  24           3HB      GLU  24 -14.599   9.322 -24.074
  217    HG2  GLU  24           2HG      GLU  24 -15.382   7.239 -25.058
  218    HG3  GLU  24           3HG      GLU  24 -16.602   7.093 -23.794
  219    H    GLN  25           H        GLN  25 -11.761   7.212 -22.480
  220    HA   GLN  25           HA       GLN  25 -10.788   9.177 -20.742
  221    HB2  GLN  25           2HB      GLN  25  -8.537   8.575 -21.752
  222    HB3  GLN  25           3HB      GLN  25  -9.456   7.249 -21.053
  223    HG2  GLN  25           2HG      GLN  25  -9.890   6.291 -23.086
  224    HG3  GLN  25           3HG      GLN  25  -9.740   7.815 -23.959
  225   HE21  GLN  25          1HE2      GLN  25  -7.621   8.665 -24.313
  226   HE22  GLN  25          2HE2      GLN  25  -6.259   7.605 -24.385
  227    HA   PRO  26           HA       PRO  26 -10.363  12.823 -23.144
  228    HB2  PRO  26           2HB      PRO  26  -8.063  13.867 -22.149
  229    HB3  PRO  26           3HB      PRO  26  -9.581  13.850 -21.243
  230    HG2  PRO  26           2HG      PRO  26  -7.239  11.996 -21.048
  231    HG3  PRO  26           3HG      PRO  26  -8.205  12.718 -19.749
  232    HD2  PRO  26           2HD      PRO  26  -8.567  10.169 -20.590
  233    HD3  PRO  26           3HD      PRO  26  -9.899  11.171 -19.978
  Start of MODEL   10
    1    H1   VAL   1           H        VAL   1   2.141   0.907  -0.031
    2    HA   VAL   1           HA       VAL   1   2.089   1.136  -2.828
    3    HB   VAL   1           HB       VAL   1   4.097   1.592  -1.476
    4   HG11  VAL   1          1HG1      VAL   1   3.609  -0.685  -0.169
    5   HG12  VAL   1          2HG1      VAL   1   4.803  -1.278  -1.326
    6   HG13  VAL   1          3HG1      VAL   1   5.210   0.051  -0.240
    7   HG21  VAL   1          3HG2      VAL   1   3.962   0.325  -3.976
    8   HG22  VAL   1          1HG2      VAL   1   5.272   1.321  -3.342
    9   HG23  VAL   1          2HG2      VAL   1   5.307  -0.428  -3.119
   10    H    SER   2           H        SER   2   1.831  -1.629  -0.714
   11    HA   SER   2           HA       SER   2   2.241  -3.563  -2.809
   12    HB2  SER   2           2HB      SER   2   2.659  -3.817  -0.239
   13    HB3  SER   2           3HB      SER   2   0.942  -4.219  -0.184
   14    HG   SER   2           HG       SER   2   3.072  -5.642  -1.250
   15    H    VAL   3           H        VAL   3  -0.386  -1.730  -1.604
   16    HA   VAL   3           HA       VAL   3  -2.450  -3.540  -2.500
   17    HB   VAL   3           HB       VAL   3  -4.016  -1.755  -1.909
   18   HG11  VAL   3          1HG1      VAL   3  -3.495  -1.621   0.497
   19   HG12  VAL   3          2HG1      VAL   3  -3.279  -3.248  -0.150
   20   HG13  VAL   3          3HG1      VAL   3  -1.874  -2.229   0.161
   21   HG21  VAL   3          3HG2      VAL   3  -1.535  -0.132  -1.348
   22   HG22  VAL   3          1HG2      VAL   3  -2.727   0.171  -2.612
   23   HG23  VAL   3          2HG2      VAL   3  -3.178   0.341  -0.916
   24    H    ASP   4           H        ASP   4  -0.570  -0.988  -3.840
   25    HA   ASP   4           HA       ASP   4  -2.285  -0.035  -5.834
   26    HB2  ASP   4           2HB      ASP   4   0.438   0.289  -5.113
   27    HB3  ASP   4           3HB      ASP   4   0.402  -0.125  -6.825
   28    HA   PRO   5           HA       PRO   5  -0.383  -3.438  -8.711
   29    HB2  PRO   5           2HB      PRO   5   0.908  -5.486  -7.483
   30    HB3  PRO   5           3HB      PRO   5   1.729  -4.012  -8.012
   31    HG2  PRO   5           2HG      PRO   5   0.762  -4.766  -5.281
   32    HG3  PRO   5           3HG      PRO   5   2.290  -4.001  -5.755
   33    HD2  PRO   5           2HD      PRO   5   0.208  -2.594  -4.745
   34    HD3  PRO   5           3HD      PRO   5   1.333  -1.912  -5.937
   35    H    PHE   6           H        PHE   6  -1.595  -4.361  -5.540
   36    HA   PHE   6           HA       PHE   6  -2.721  -6.836  -6.198
   37    HB2  PHE   6           2HB      PHE   6  -2.434  -5.787  -3.885
   38    HB3  PHE   6           3HB      PHE   6  -3.925  -4.911  -4.215
   39    HD1  PHE   6           HD2      PHE   6  -2.483  -8.307  -3.904
   40    HD2  PHE   6           HD1      PHE   6  -6.010  -5.923  -3.902
   41    HE1  PHE   6           HE2      PHE   6  -3.786 -10.241  -3.119
   42    HE2  PHE   6           HE1      PHE   6  -7.318  -7.854  -3.116
   43    HZ   PHE   6           HZ       PHE   6  -6.206 -10.016  -2.725
   44    H    TYR   7           H        TYR   7  -4.365  -3.679  -5.953
   45    HA   TYR   7           HA       TYR   7  -6.752  -4.648  -7.180
   46    HB2  TYR   7           2HB      TYR   7  -7.647  -2.635  -6.627
   47    HB3  TYR   7           3HB      TYR   7  -6.214  -2.521  -5.610
   48    HD1  TYR   7           HD1      TYR   7  -4.283  -1.152  -6.346
   49    HD2  TYR   7           HD2      TYR   7  -7.942  -1.204  -8.516
   50    HE1  TYR   7           HE1      TYR   7  -3.612   0.905  -7.514
   51    HE2  TYR   7           HE2      TYR   7  -7.281   0.853  -9.691
   52    HH   TYR   7           HH       TYR   7  -5.814   2.685  -9.511
   53    H    GLU   8           H        GLU   8  -3.768  -3.454  -8.362
   54    HA   GLU   8           HA       GLU   8  -4.727  -2.480 -10.877
   55    HB2  GLU   8           2HB      GLU   8  -2.078  -2.948  -9.621
   56    HB3  GLU   8           3HB      GLU   8  -2.130  -2.941 -11.379
   57    HG2  GLU   8           2HG      GLU   8  -3.351  -0.722  -9.785
   58    HG3  GLU   8           3HG      GLU   8  -1.628  -0.746 -10.156
   59    H    MET   9           H        MET   9  -3.307  -5.508  -9.731
   60    HA   MET   9           HA       MET   9  -3.346  -6.707 -12.351
   61    HB2  MET   9           2HB      MET   9  -2.484  -8.675 -11.282
   62    HB3  MET   9           3HB      MET   9  -1.653  -7.281 -10.606
   63    HG2  MET   9           2HG      MET   9  -3.153  -7.366  -8.656
   64    HG3  MET   9           3HG      MET   9  -3.906  -8.811  -9.328
   65    HE1  MET   9           3HE      MET   9  -0.821  -7.323  -7.441
   66    HE2  MET   9           1HE      MET   9   0.424  -8.528  -7.773
   67    HE3  MET   9           2HE      MET   9  -0.207  -7.529  -9.082
   68    H    LEU  10           H        LEU  10  -5.294  -6.859  -9.414
   69    HA   LEU  10           HA       LEU  10  -7.038  -8.896 -10.468
   70    HB2  LEU  10           2HB      LEU  10  -6.833  -7.329  -7.959
   71    HB3  LEU  10           3HB      LEU  10  -8.414  -7.985  -8.378
   72    HG   LEU  10           HG       LEU  10  -6.809 -10.172  -8.677
   73   HD11  LEU  10          1HD1      LEU  10  -4.985  -8.640  -7.650
   74   HD12  LEU  10          2HD1      LEU  10  -5.169 -10.290  -7.056
   75   HD13  LEU  10          3HD1      LEU  10  -5.834  -8.943  -6.133
   76   HD21  LEU  10          3HD2      LEU  10  -8.057  -9.385  -6.056
   77   HD22  LEU  10          1HD2      LEU  10  -7.874 -11.001  -6.740
   78   HD23  LEU  10          2HD2      LEU  10  -9.008  -9.860  -7.465
   79    H    ALA  11           H        ALA  11  -8.894  -8.628 -11.551
   80    HA   ALA  11           HA       ALA  11  -9.609  -5.985 -12.452
   81    HB1  ALA  11           1HB      ALA  11 -10.200  -8.736 -13.235
   82    HB2  ALA  11           2HB      ALA  11 -11.574  -7.641 -13.394
   83    HB3  ALA  11           3HB      ALA  11 -10.058  -7.279 -14.220
   84    H    ALA  12           H        ALA  12 -11.203  -8.550 -10.569
   85    HA   ALA  12           HA       ALA  12 -13.601  -7.190 -10.076
   86    HB1  ALA  12           1HB      ALA  12 -12.189  -9.331  -8.497
   87    HB2  ALA  12           2HB      ALA  12 -13.813  -8.750  -8.128
   88    HB3  ALA  12           3HB      ALA  12 -13.488  -9.536  -9.673
   89    H    ARG  13           H        ARG  13 -10.455  -6.721  -8.793
   90    HA   ARG  13           HA       ARG  13 -11.232  -5.516  -6.320
   91    HB2  ARG  13           2HB      ARG  13  -8.680  -5.717  -7.874
   92    HB3  ARG  13           3HB      ARG  13  -8.792  -4.584  -6.534
   93    HG2  ARG  13           2HG      ARG  13  -9.643  -7.389  -6.064
   94    HG3  ARG  13           3HG      ARG  13  -7.917  -7.047  -6.204
   95    HD2  ARG  13           2HD      ARG  13  -8.947  -6.978  -3.868
   96    HD3  ARG  13           3HD      ARG  13  -7.934  -5.618  -4.352
   97    HE   ARG  13           HE       ARG  13 -10.854  -5.600  -4.089
   98   HH11  ARG  13          1HH1      ARG  13  -7.860  -3.911  -4.646
   99   HH12  ARG  13          2HH1      ARG  13  -8.556  -2.339  -4.430
  100   HH21  ARG  13          1HH2      ARG  13 -11.781  -3.535  -3.803
  101   HH22  ARG  13          2HH2      ARG  13 -10.786  -2.127  -3.950
  102    H    LYS  14           H        LYS  14 -10.410  -4.322  -9.537
  103    HA   LYS  14           HA       LYS  14 -10.437  -1.568  -8.861
  104    HB2  LYS  14           2HB      LYS  14 -10.906  -2.885 -11.542
  105    HB3  LYS  14           3HB      LYS  14 -10.544  -1.183 -11.286
  106    HG2  LYS  14           2HG      LYS  14  -8.352  -1.724 -10.452
  107    HG3  LYS  14           3HG      LYS  14  -8.710  -3.451 -10.537
  108    HD2  LYS  14           2HD      LYS  14  -7.375  -2.829 -12.444
  109    HD3  LYS  14           3HD      LYS  14  -9.008  -3.220 -12.988
  110    HE2  LYS  14           2HE      LYS  14  -9.544  -0.977 -13.364
  111    HE3  LYS  14           3HE      LYS  14  -8.211  -0.397 -12.366
  112    HZ1  LYS  14           3HZ      LYS  14  -7.410  -0.045 -14.470
  113    HZ2  LYS  14           1HZ      LYS  14  -8.159  -1.415 -15.122
  114    HZ3  LYS  14           2HZ      LYS  14  -6.780  -1.583 -14.157
  115    H    LYS  15           H        LYS  15 -12.243  -0.881  -7.819
  116    HA   LYS  15           HA       LYS  15 -14.882  -1.608  -8.733
  117    HB2  LYS  15           2HB      LYS  15 -13.810   0.108  -6.515
  118    HB3  LYS  15           3HB      LYS  15 -15.515   0.170  -6.943
  119    HG2  LYS  15           2HG      LYS  15 -15.906  -1.997  -6.248
  120    HG3  LYS  15           3HG      LYS  15 -14.208  -2.458  -6.391
  121    HD2  LYS  15           2HD      LYS  15 -13.987  -0.554  -4.519
  122    HD3  LYS  15           3HD      LYS  15 -15.634  -1.095  -4.183
  123    HE2  LYS  15           2HE      LYS  15 -13.749  -3.285  -4.598
  124    HE3  LYS  15           3HE      LYS  15 -13.333  -2.254  -3.230
  125    HZ1  LYS  15           3HZ      LYS  15 -16.038  -3.399  -3.621
  126    HZ2  LYS  15           1HZ      LYS  15 -15.417  -2.661  -2.231
  127    HZ3  LYS  15           2HZ      LYS  15 -14.833  -4.172  -2.719
  128    H    ARG  16           H        ARG  16 -13.704   1.653  -7.972
  129    HA   ARG  16           HA       ARG  16 -15.342   2.769 -10.066
  130    HB2  ARG  16           2HB      ARG  16 -15.208   3.997  -8.010
  131    HB3  ARG  16           3HB      ARG  16 -13.450   4.006  -8.066
  132    HG2  ARG  16           2HG      ARG  16 -13.378   5.779  -9.431
  133    HG3  ARG  16           3HG      ARG  16 -14.745   5.219 -10.397
  134    HD2  ARG  16           2HD      ARG  16 -16.138   6.575  -9.319
  135    HD3  ARG  16           3HD      ARG  16 -15.616   5.947  -7.756
  136    HE   ARG  16           HE       ARG  16 -14.814   8.405  -8.980
  137   HH11  ARG  16          1HH1      ARG  16 -13.825   5.877  -6.801
  138   HH12  ARG  16          2HH1      ARG  16 -12.714   6.882  -5.931
  139   HH21  ARG  16          1HH2      ARG  16 -13.355   9.739  -7.842
  140   HH22  ARG  16          2HH2      ARG  16 -12.448   9.079  -6.524
  141    H    ILE  17           H        ILE  17 -11.905   2.271  -9.459
  142    HA   ILE  17           HA       ILE  17 -10.850   3.770 -11.558
  143    HB   ILE  17           HB       ILE  17  -8.961   2.027 -11.493
  144   HG12  ILE  17          2HG1      ILE  17 -10.851   0.508 -10.203
  145   HG13  ILE  17          3HG1      ILE  17  -9.116   0.214 -10.163
  146   HG21  ILE  17          1HG2      ILE  17  -9.791   3.603  -9.065
  147   HG22  ILE  17          2HG2      ILE  17  -8.203   2.861  -9.258
  148   HG23  ILE  17          3HG2      ILE  17  -8.730   4.120 -10.375
  149   HD11  ILE  17          3HD1      ILE  17 -10.543   1.933  -8.156
  150   HD12  ILE  17          1HD1      ILE  17 -10.269   0.203  -7.944
  151   HD13  ILE  17          2HD1      ILE  17  -8.897   1.304  -8.073
  152    H    SER  18           H        SER  18 -12.189   0.516 -11.518
  153    HA   SER  18           HA       SER  18 -11.347  -0.333 -14.047
  154    HB2  SER  18           2HB      SER  18 -12.255  -2.037 -12.748
  155    HB3  SER  18           3HB      SER  18 -13.643  -1.064 -12.261
  156    HG   SER  18           HG       SER  18 -14.551  -2.277 -13.759
  157    H    VAL  19           H        VAL  19 -14.584   0.897 -13.179
  158    HA   VAL  19           HA       VAL  19 -15.493   1.208 -15.808
  159    HB   VAL  19           HB       VAL  19 -17.053   1.195 -13.961
  160   HG11  VAL  19          1HG1      VAL  19 -15.566   2.345 -12.339
  161   HG12  VAL  19          2HG1      VAL  19 -15.925   3.871 -13.149
  162   HG13  VAL  19          3HG1      VAL  19 -17.214   2.971 -12.349
  163   HG21  VAL  19          3HG2      VAL  19 -18.545   2.679 -14.852
  164   HG22  VAL  19          1HG2      VAL  19 -17.358   3.979 -14.957
  165   HG23  VAL  19          2HG2      VAL  19 -17.338   2.670 -16.138
  166    H    LYS  20           H        LYS  20 -13.813   3.446 -13.655
  167    HA   LYS  20           HA       LYS  20 -14.031   5.716 -15.342
  168    HB2  LYS  20           2HB      LYS  20 -13.561   5.999 -12.990
  169    HB3  LYS  20           3HB      LYS  20 -12.086   5.051 -13.127
  170    HG2  LYS  20           2HG      LYS  20 -10.927   6.748 -14.160
  171    HG3  LYS  20           3HG      LYS  20 -12.393   7.527 -14.760
  172    HD2  LYS  20           2HD      LYS  20 -12.957   8.098 -12.388
  173    HD3  LYS  20           3HD      LYS  20 -11.365   7.492 -11.925
  174    HE2  LYS  20           2HE      LYS  20 -11.529   9.512 -14.102
  175    HE3  LYS  20           3HE      LYS  20 -11.786  10.052 -12.444
  176    HZ1  LYS  20           3HZ      LYS  20  -9.371   8.835 -13.629
  177    HZ2  LYS  20           1HZ      LYS  20  -9.625   8.816 -11.956
  178    HZ3  LYS  20           2HZ      LYS  20  -9.515  10.290 -12.778
  179    H    LYS  21           H        LYS  21 -12.041   2.929 -15.411
  180    HA   LYS  21           HA       LYS  21  -9.894   4.115 -16.922
  181    HB2  LYS  21           2HB      LYS  21  -9.462   2.203 -15.460
  182    HB3  LYS  21           3HB      LYS  21 -10.583   1.218 -16.391
  183    HG2  LYS  21           2HG      LYS  21  -8.648   2.317 -18.167
  184    HG3  LYS  21           3HG      LYS  21  -7.815   1.581 -16.795
  185    HD2  LYS  21           2HD      LYS  21  -9.620  -0.335 -17.285
  186    HD3  LYS  21           3HD      LYS  21  -9.471   0.336 -18.911
  187    HE2  LYS  21           2HE      LYS  21  -6.975  -0.216 -17.399
  188    HE3  LYS  21           3HE      LYS  21  -7.879  -1.595 -18.022
  189    HZ1  LYS  21           3HZ      LYS  21  -6.499   0.537 -19.488
  190    HZ2  LYS  21           1HZ      LYS  21  -7.859  -0.179 -20.196
  191    HZ3  LYS  21           2HZ      LYS  21  -6.523  -1.129 -19.781
  192    H    LYS  22           H        LYS  22 -12.642   1.983 -17.620
  193    HA   LYS  22           HA       LYS  22 -12.070   1.846 -20.425
  194    HB2  LYS  22           2HB      LYS  22 -14.610   1.152 -18.939
  195    HB3  LYS  22           3HB      LYS  22 -14.229   0.699 -20.595
  196    HG2  LYS  22           2HG      LYS  22 -12.457  -0.729 -19.870
  197    HG3  LYS  22           3HG      LYS  22 -12.608  -0.154 -18.208
  198    HD2  LYS  22           2HD      LYS  22 -14.984  -1.371 -19.537
  199    HD3  LYS  22           3HD      LYS  22 -13.696  -2.428 -18.955
  200    HE2  LYS  22           2HE      LYS  22 -13.897  -1.254 -16.734
  201    HE3  LYS  22           3HE      LYS  22 -15.350  -0.478 -17.363
  202    HZ1  LYS  22           3HZ      LYS  22 -15.205  -3.380 -17.591
  203    HZ2  LYS  22           1HZ      LYS  22 -16.530  -2.385 -17.247
  204    HZ3  LYS  22           2HZ      LYS  22 -15.412  -2.754 -16.033
  205    H    GLN  23           H        GLN  23 -13.693   4.065 -18.380
  206    HA   GLN  23           HA       GLN  23 -15.569   5.147 -20.172
  207    HB2  GLN  23           2HB      GLN  23 -14.209   6.127 -17.699
  208    HB3  GLN  23           3HB      GLN  23 -15.114   7.273 -18.678
  209    HG2  GLN  23           2HG      GLN  23 -16.469   4.739 -17.990
  210    HG3  GLN  23           3HG      GLN  23 -16.200   5.889 -16.681
  211   HE21  GLN  23          1HE2      GLN  23 -18.668   5.622 -16.911
  212   HE22  GLN  23          2HE2      GLN  23 -19.452   6.814 -17.884
  213    H    GLU  24           H        GLU  24 -15.462   7.326 -21.155
  214    HA   GLU  24           HA       GLU  24 -13.311   7.514 -22.958
  215    HB2  GLU  24           2HB      GLU  24 -15.610   9.296 -22.247
  216    HB3  GLU  24           3HB      GLU  24 -14.340   9.901 -23.300
  217    HG2  GLU  24           2HG      GLU  24 -16.022   9.082 -24.717
  218    HG3  GLU  24           3HG      GLU  24 -14.738   7.875 -24.746
  219    H    GLN  25           H        GLN  25 -11.846   9.352 -23.233
  220    HA   GLN  25           HA       GLN  25 -10.465   9.924 -20.788
  221    HB2  GLN  25           2HB      GLN  25  -9.992  10.409 -23.684
  222    HB3  GLN  25           3HB      GLN  25  -9.149  11.447 -22.541
  223    HG2  GLN  25           2HG      GLN  25  -8.231   9.443 -21.442
  224    HG3  GLN  25           3HG      GLN  25  -9.018   8.444 -22.663
  225   HE21  GLN  25          1HE2      GLN  25  -6.135   9.257 -21.856
  226   HE22  GLN  25          2HE2      GLN  25  -5.384   9.559 -23.382
  227    HA   PRO  26           HA       PRO  26 -12.039  13.886 -19.758
  228    HB2  PRO  26           2HB      PRO  26  -9.805  15.228 -18.998
  229    HB3  PRO  26           3HB      PRO  26 -10.525  13.936 -18.031
  230    HG2  PRO  26           2HG      PRO  26  -8.190  13.826 -19.900
  231    HG3  PRO  26           3HG      PRO  26  -8.374  13.093 -18.296
  232    HD2  PRO  26           2HD      PRO  26  -8.684  11.682 -20.586
  233    HD3  PRO  26           3HD      PRO  26  -9.599  11.318 -19.109
  Start of MODEL   11
    1    H1   VAL   1           H        VAL   1   2.635   1.039  -0.812
    2    HA   VAL   1           HA       VAL   1   2.724   1.109  -3.615
    3    HB   VAL   1           HB       VAL   1   4.722  -0.233  -1.791
    4   HG11  VAL   1          1HG1      VAL   1   6.072   0.952  -3.873
    5   HG12  VAL   1          2HG1      VAL   1   5.681  -0.763  -3.738
    6   HG13  VAL   1          3HG1      VAL   1   4.623   0.315  -4.649
    7   HG21  VAL   1          3HG2      VAL   1   4.622   1.892  -0.894
    8   HG22  VAL   1          1HG2      VAL   1   5.869   2.084  -2.127
    9   HG23  VAL   1          2HG2      VAL   1   4.225   2.641  -2.441
   10    H    SER   2           H        SER   2   2.416  -1.570  -1.351
   11    HA   SER   2           HA       SER   2   2.654  -3.579  -3.401
   12    HB2  SER   2           2HB      SER   2   1.578  -3.987  -0.610
   13    HB3  SER   2           3HB      SER   2   2.346  -5.175  -1.663
   14    HG   SER   2           HG       SER   2   3.608  -4.062   0.133
   15    H    VAL   3           H        VAL   3   0.149  -1.640  -2.106
   16    HA   VAL   3           HA       VAL   3  -2.008  -3.422  -2.821
   17    HB   VAL   3           HB       VAL   3  -3.479  -1.511  -2.248
   18   HG11  VAL   3          1HG1      VAL   3  -3.325  -1.919  -0.022
   19   HG12  VAL   3          2HG1      VAL   3  -2.209  -3.166  -0.581
   20   HG13  VAL   3          3HG1      VAL   3  -1.587  -1.630   0.024
   21   HG21  VAL   3          3HG2      VAL   3  -0.974  -0.054  -1.437
   22   HG22  VAL   3          1HG2      VAL   3  -1.791   0.222  -2.976
   23   HG23  VAL   3          2HG2      VAL   3  -2.629   0.554  -1.460
   24    H    ASP   4           H        ASP   4  -0.151  -0.957  -4.347
   25    HA   ASP   4           HA       ASP   4  -1.956  -0.022  -6.268
   26    HB2  ASP   4           2HB      ASP   4   0.816   0.245  -5.721
   27    HB3  ASP   4           3HB      ASP   4   0.659  -0.206  -7.416
   28    HA   PRO   5           HA       PRO   5  -0.310  -3.561  -9.138
   29    HB2  PRO   5           2HB      PRO   5   0.992  -5.608  -7.918
   30    HB3  PRO   5           3HB      PRO   5   1.821  -4.175  -8.538
   31    HG2  PRO   5           2HG      PRO   5   0.988  -4.817  -5.736
   32    HG3  PRO   5           3HG      PRO   5   2.507  -4.112  -6.317
   33    HD2  PRO   5           2HD      PRO   5   0.525  -2.615  -5.239
   34    HD3  PRO   5           3HD      PRO   5   1.599  -2.002  -6.512
   35    H    PHE   6           H        PHE   6  -1.363  -4.357  -5.876
   36    HA   PHE   6           HA       PHE   6  -2.589  -6.817  -6.386
   37    HB2  PHE   6           2HB      PHE   6  -2.158  -5.671  -4.132
   38    HB3  PHE   6           3HB      PHE   6  -3.660  -4.799  -4.420
   39    HD1  PHE   6           HD2      PHE   6  -2.219  -8.188  -4.041
   40    HD2  PHE   6           HD1      PHE   6  -5.732  -5.786  -3.965
   41    HE1  PHE   6           HE2      PHE   6  -3.488 -10.080  -3.112
   42    HE2  PHE   6           HE1      PHE   6  -7.007  -7.674  -3.035
   43    HZ   PHE   6           HZ       PHE   6  -5.885  -9.825  -2.609
   44    H    TYR   7           H        TYR   7  -4.185  -3.636  -6.111
   45    HA   TYR   7           HA       TYR   7  -6.639  -4.574  -7.194
   46    HB2  TYR   7           2HB      TYR   7  -7.450  -2.511  -6.688
   47    HB3  TYR   7           3HB      TYR   7  -5.969  -2.406  -5.743
   48    HD1  TYR   7           HD2      TYR   7  -4.035  -1.126  -6.614
   49    HD2  TYR   7           HD1      TYR   7  -7.786  -1.147  -8.622
   50    HE1  TYR   7           HE2      TYR   7  -3.358   0.865  -7.889
   51    HE2  TYR   7           HE1      TYR   7  -7.118   0.843  -9.904
   52    HH   TYR   7           HH       TYR   7  -3.875   2.226  -9.590
   53    H    GLU   8           H        GLU   8  -3.697  -3.522  -8.589
   54    HA   GLU   8           HA       GLU   8  -4.758  -2.608 -11.082
   55    HB2  GLU   8           2HB      GLU   8  -2.076  -3.110  -9.939
   56    HB3  GLU   8           3HB      GLU   8  -2.201  -3.246 -11.687
   57    HG2  GLU   8           2HG      GLU   8  -3.131  -0.986 -11.794
   58    HG3  GLU   8           3HG      GLU   8  -2.985  -0.850 -10.042
   59    H    MET   9           H        MET   9  -3.366  -5.649  -9.924
   60    HA   MET   9           HA       MET   9  -3.648  -6.934 -12.487
   61    HB2  MET   9           2HB      MET   9  -2.793  -8.908 -11.395
   62    HB3  MET   9           3HB      MET   9  -1.839  -7.521 -10.886
   63    HG2  MET   9           2HG      MET   9  -3.143  -7.424  -8.801
   64    HG3  MET   9           3HG      MET   9  -4.020  -8.865  -9.309
   65    HE1  MET   9           3HE      MET   9  -3.113 -10.752  -7.234
   66    HE2  MET   9           1HE      MET   9  -3.546 -10.955  -8.932
   67    HE3  MET   9           2HE      MET   9  -2.083 -11.709  -8.300
   68    H    LEU  10           H        LEU  10  -5.365  -6.920  -9.404
   69    HA   LEU  10           HA       LEU  10  -7.219  -8.965 -10.160
   70    HB2  LEU  10           2HB      LEU  10  -6.762  -7.211  -7.853
   71    HB3  LEU  10           3HB      LEU  10  -8.452  -7.621  -8.139
   72    HG   LEU  10           HG       LEU  10  -7.519  -9.149  -6.534
   73   HD11  LEU  10          1HD1      LEU  10  -8.410 -11.040  -7.417
   74   HD12  LEU  10          2HD1      LEU  10  -7.543 -10.872  -8.943
   75   HD13  LEU  10          3HD1      LEU  10  -8.976  -9.892  -8.631
   76   HD21  LEU  10          3HD2      LEU  10  -5.147  -8.831  -7.336
   77   HD22  LEU  10          1HD2      LEU  10  -5.508 -10.005  -8.601
   78   HD23  LEU  10          2HD2      LEU  10  -5.599 -10.481  -6.905
   79    H    ALA  11           H        ALA  11  -9.067  -8.788 -11.258
   80    HA   ALA  11           HA       ALA  11  -9.802  -6.238 -12.386
   81    HB1  ALA  11           1HB      ALA  11  -9.896  -8.186 -13.798
   82    HB2  ALA  11           2HB      ALA  11 -11.020  -8.979 -12.693
   83    HB3  ALA  11           3HB      ALA  11 -11.526  -7.546 -13.588
   84    H    ALA  12           H        ALA  12 -11.162  -8.520 -10.056
   85    HA   ALA  12           HA       ALA  12 -13.615  -7.114  -9.701
   86    HB1  ALA  12           1HB      ALA  12 -13.939  -9.227  -8.980
   87    HB2  ALA  12           2HB      ALA  12 -12.269  -9.419  -8.448
   88    HB3  ALA  12           3HB      ALA  12 -13.422  -8.549  -7.436
   89    H    ARG  13           H        ARG  13 -10.426  -6.676  -8.516
   90    HA   ARG  13           HA       ARG  13 -11.066  -5.345  -6.082
   91    HB2  ARG  13           2HB      ARG  13  -8.621  -5.686  -7.754
   92    HB3  ARG  13           3HB      ARG  13  -8.635  -4.390  -6.567
   93    HG2  ARG  13           2HG      ARG  13  -9.460  -7.103  -5.687
   94    HG3  ARG  13           3HG      ARG  13  -7.747  -6.798  -5.981
   95    HD2  ARG  13           2HD      ARG  13  -8.437  -6.425  -3.626
   96    HD3  ARG  13           3HD      ARG  13  -7.736  -5.000  -4.392
   97    HE   ARG  13           HE       ARG  13 -10.557  -5.392  -3.705
   98   HH11  ARG  13          1HH1      ARG  13  -8.000  -3.359  -4.907
   99   HH12  ARG  13          2HH1      ARG  13  -8.922  -1.898  -4.773
  100   HH21  ARG  13          1HH2      ARG  13 -11.781  -3.476  -3.525
  101   HH22  ARG  13          2HH2      ARG  13 -11.072  -1.966  -3.986
  102    H    LYS  14           H        LYS  14 -10.241  -4.216  -9.345
  103    HA   LYS  14           HA       LYS  14 -10.281  -1.468  -8.806
  104    HB2  LYS  14           2HB      LYS  14 -11.015  -2.869 -11.384
  105    HB3  LYS  14           3HB      LYS  14 -10.572  -1.174 -11.221
  106    HG2  LYS  14           2HG      LYS  14  -8.336  -1.762 -10.577
  107    HG3  LYS  14           3HG      LYS  14  -8.756  -3.476 -10.538
  108    HD2  LYS  14           2HD      LYS  14  -8.693  -3.681 -12.798
  109    HD3  LYS  14           3HD      LYS  14  -9.284  -2.040 -13.070
  110    HE2  LYS  14           2HE      LYS  14  -6.524  -2.613 -12.025
  111    HE3  LYS  14           3HE      LYS  14  -6.882  -2.529 -13.749
  112    HZ1  LYS  14           3HZ      LYS  14  -6.163  -0.428 -12.269
  113    HZ2  LYS  14           1HZ      LYS  14  -7.847  -0.297 -12.174
  114    HZ3  LYS  14           2HZ      LYS  14  -7.083  -0.309 -13.683
  115    H    LYS  15           H        LYS  15 -11.983  -0.728  -7.627
  116    HA   LYS  15           HA       LYS  15 -14.701  -1.430  -8.296
  117    HB2  LYS  15           2HB      LYS  15 -13.553   0.527  -6.299
  118    HB3  LYS  15           3HB      LYS  15 -15.271   0.193  -6.476
  119    HG2  LYS  15           2HG      LYS  15 -13.164  -1.822  -5.721
  120    HG3  LYS  15           3HG      LYS  15 -14.288  -1.036  -4.610
  121    HD2  LYS  15           2HD      LYS  15 -15.044  -2.829  -6.918
  122    HD3  LYS  15           3HD      LYS  15 -15.051  -3.281  -5.211
  123    HE2  LYS  15           2HE      LYS  15 -16.618  -1.192  -4.987
  124    HE3  LYS  15           3HE      LYS  15 -16.884  -1.463  -6.708
  125    HZ1  LYS  15           3HZ      LYS  15 -17.402  -3.374  -4.499
  126    HZ2  LYS  15           1HZ      LYS  15 -17.485  -3.785  -6.138
  127    HZ3  LYS  15           2HZ      LYS  15 -18.547  -2.634  -5.500
  128    H    ARG  16           H        ARG  16 -13.411   1.828  -7.735
  129    HA   ARG  16           HA       ARG  16 -15.201   2.914  -9.717
  130    HB2  ARG  16           2HB      ARG  16 -13.138   4.162  -7.903
  131    HB3  ARG  16           3HB      ARG  16 -14.073   5.091  -9.067
  132    HG2  ARG  16           2HG      ARG  16 -15.207   3.469  -6.797
  133    HG3  ARG  16           3HG      ARG  16 -15.026   5.224  -6.828
  134    HD2  ARG  16           2HD      ARG  16 -16.820   3.509  -8.529
  135    HD3  ARG  16           3HD      ARG  16 -17.285   4.761  -7.378
  136    HE   ARG  16           HE       ARG  16 -16.581   5.133 -10.108
  137   HH11  ARG  16          1HH1      ARG  16 -16.395   6.613  -6.962
  138   HH12  ARG  16          2HH1      ARG  16 -16.327   8.229  -7.583
  139   HH21  ARG  16          1HH2      ARG  16 -16.492   7.256 -10.937
  140   HH22  ARG  16          2HH2      ARG  16 -16.384   8.594  -9.844
  141    H    ILE  17           H        ILE  17 -11.735   2.366  -9.387
  142    HA   ILE  17           HA       ILE  17 -10.836   3.784 -11.611
  143    HB   ILE  17           HB       ILE  17  -8.979   2.005 -11.654
  144   HG12  ILE  17          2HG1      ILE  17 -10.777   0.562 -10.165
  145   HG13  ILE  17          3HG1      ILE  17  -9.050   0.237 -10.257
  146   HG21  ILE  17          1HG2      ILE  17  -9.571   3.670  -9.216
  147   HG22  ILE  17          2HG2      ILE  17  -8.020   2.889  -9.517
  148   HG23  ILE  17          3HG2      ILE  17  -8.614   4.124 -10.625
  149   HD11  ILE  17          3HD1      ILE  17 -10.276   2.044  -8.196
  150   HD12  ILE  17          1HD1      ILE  17 -10.022   0.317  -7.952
  151   HD13  ILE  17          2HD1      ILE  17  -8.643   1.381  -8.226
  152    H    SER  18           H        SER  18 -12.221   0.559 -11.362
  153    HA   SER  18           HA       SER  18 -11.612  -0.377 -13.927
  154    HB2  SER  18           2HB      SER  18 -12.436  -2.027 -12.508
  155    HB3  SER  18           3HB      SER  18 -13.759  -1.013 -11.931
  156    HG   SER  18           HG       SER  18 -14.884  -2.096 -13.338
  157    H    VAL  19           H        VAL  19 -14.755   0.914 -12.834
  158    HA   VAL  19           HA       VAL  19 -15.861   1.183 -15.391
  159    HB   VAL  19           HB       VAL  19 -17.274   1.219 -13.429
  160   HG11  VAL  19          1HG1      VAL  19 -16.061   3.898 -12.763
  161   HG12  VAL  19          2HG1      VAL  19 -17.299   3.034 -11.848
  162   HG13  VAL  19          3HG1      VAL  19 -15.661   2.386 -11.948
  163   HG21  VAL  19          3HG2      VAL  19 -17.600   2.794 -15.616
  164   HG22  VAL  19          1HG2      VAL  19 -18.816   2.566 -14.359
  165   HG23  VAL  19          2HG2      VAL  19 -17.758   3.977 -14.318
  166    H    LYS  20           H        LYS  20 -14.003   3.445 -13.418
  167    HA   LYS  20           HA       LYS  20 -14.346   5.728 -15.017
  168    HB2  LYS  20           2HB      LYS  20 -13.445   5.825 -12.741
  169    HB3  LYS  20           3HB      LYS  20 -12.007   4.955 -13.262
  170    HG2  LYS  20           2HG      LYS  20 -11.520   7.305 -13.066
  171    HG3  LYS  20           3HG      LYS  20 -11.447   6.822 -14.762
  172    HD2  LYS  20           2HD      LYS  20 -13.697   7.717 -15.113
  173    HD3  LYS  20           3HD      LYS  20 -13.775   8.193 -13.415
  174    HE2  LYS  20           2HE      LYS  20 -11.896   9.246 -15.524
  175    HE3  LYS  20           3HE      LYS  20 -13.208  10.119 -14.735
  176    HZ1  LYS  20           3HZ      LYS  20 -10.671   9.189 -13.515
  177    HZ2  LYS  20           1HZ      LYS  20 -11.980   9.756 -12.605
  178    HZ3  LYS  20           2HZ      LYS  20 -11.205  10.783 -13.702
  179    H    LYS  21           H        LYS  21 -11.983   3.108 -15.144
  180    HA   LYS  21           HA       LYS  21 -10.322   4.233 -17.128
  181    HB2  LYS  21           2HB      LYS  21 -10.785   1.456 -16.101
  182    HB3  LYS  21           3HB      LYS  21  -9.794   1.701 -17.533
  183    HG2  LYS  21           2HG      LYS  21  -9.266   3.139 -14.952
  184    HG3  LYS  21           3HG      LYS  21  -8.586   1.551 -15.315
  185    HD2  LYS  21           2HD      LYS  21  -7.416   2.411 -17.215
  186    HD3  LYS  21           3HD      LYS  21  -8.248   3.963 -17.092
  187    HE2  LYS  21           2HE      LYS  21  -6.015   4.184 -16.213
  188    HE3  LYS  21           3HE      LYS  21  -7.176   4.318 -14.893
  189    HZ1  LYS  21           3HZ      LYS  21  -5.261   2.178 -15.475
  190    HZ2  LYS  21           1HZ      LYS  21  -6.717   1.763 -14.719
  191    HZ3  LYS  21           2HZ      LYS  21  -5.676   2.880 -13.992
  192    H    LYS  22           H        LYS  22 -13.160   2.135 -17.302
  193    HA   LYS  22           HA       LYS  22 -13.076   1.603 -20.056
  194    HB2  LYS  22           2HB      LYS  22 -15.357   1.701 -18.086
  195    HB3  LYS  22           3HB      LYS  22 -15.584   1.239 -19.768
  196    HG2  LYS  22           2HG      LYS  22 -14.123  -0.650 -19.502
  197    HG3  LYS  22           3HG      LYS  22 -13.712  -0.147 -17.860
  198    HD2  LYS  22           2HD      LYS  22 -16.195  -0.349 -17.344
  199    HD3  LYS  22           3HD      LYS  22 -16.342  -1.182 -18.893
  200    HE2  LYS  22           2HE      LYS  22 -14.607  -2.011 -16.569
  201    HE3  LYS  22           3HE      LYS  22 -16.107  -2.783 -17.080
  202    HZ1  LYS  22           3HZ      LYS  22 -14.751  -4.106 -18.242
  203    HZ2  LYS  22           1HZ      LYS  22 -13.446  -3.032 -18.165
  204    HZ3  LYS  22           2HZ      LYS  22 -14.646  -2.822 -19.338
  205    H    GLN  23           H        GLN  23 -13.870   4.456 -18.335
  206    HA   GLN  23           HA       GLN  23 -15.509   5.624 -20.390
  207    HB2  GLN  23           2HB      GLN  23 -14.153   6.906 -18.011
  208    HB3  GLN  23           3HB      GLN  23 -15.362   7.671 -19.033
  209    HG2  GLN  23           2HG      GLN  23 -16.116   5.097 -17.804
  210    HG3  GLN  23           3HG      GLN  23 -15.935   6.472 -16.717
  211   HE21  GLN  23          1HE2      GLN  23 -18.244   6.104 -16.380
  212   HE22  GLN  23          2HE2      GLN  23 -19.369   6.832 -17.471
  213    H    GLU  24           H        GLU  24 -14.896   7.731 -21.398
  214    HA   GLU  24           HA       GLU  24 -12.397   7.433 -22.762
  215    HB2  GLU  24           2HB      GLU  24 -14.486   9.614 -22.852
  216    HB3  GLU  24           3HB      GLU  24 -13.073   9.561 -23.897
  217    HG2  GLU  24           2HG      GLU  24 -14.747   8.663 -25.214
  218    HG3  GLU  24           3HG      GLU  24 -13.921   7.239 -24.585
  219    H    GLN  25           H        GLN  25 -10.650   7.763 -21.478
  220    HA   GLN  25           HA       GLN  25 -10.421   9.671 -19.445
  221    HB2  GLN  25           2HB      GLN  25  -7.924   9.342 -19.790
  222    HB3  GLN  25           3HB      GLN  25  -8.862   7.896 -19.442
  223    HG2  GLN  25           2HG      GLN  25  -8.617   7.057 -21.563
  224    HG3  GLN  25           3HG      GLN  25  -8.354   8.647 -22.277
  225   HE21  GLN  25          1HE2      GLN  25  -6.419   8.583 -23.183
  226   HE22  GLN  25          2HE2      GLN  25  -4.964   8.047 -22.421
  227    HA   PRO  26           HA       PRO  26  -9.710  13.508 -21.450
  228    HB2  PRO  26           2HB      PRO  26  -7.908  14.668 -19.784
  229    HB3  PRO  26           3HB      PRO  26  -9.610  14.454 -19.359
  230    HG2  PRO  26           2HG      PRO  26  -7.241  12.798 -18.580
  231    HG3  PRO  26           3HG      PRO  26  -8.605  13.337 -17.584
  232    HD2  PRO  26           2HD      PRO  26  -8.448  10.836 -18.610
  233    HD3  PRO  26           3HD      PRO  26  -9.995  11.672 -18.365
  Start of MODEL   12
    1    H1   VAL   1           H        VAL   1   1.820  -0.144   1.068
    2    HA   VAL   1           HA       VAL   1   1.897   0.711  -1.641
    3    HB   VAL   1           HB       VAL   1   3.812   0.974  -0.109
    4   HG11  VAL   1          1HG1      VAL   1   4.741  -1.789  -0.454
    5   HG12  VAL   1          2HG1      VAL   1   4.846  -0.720   0.947
    6   HG13  VAL   1          3HG1      VAL   1   3.353  -1.601   0.618
    7   HG21  VAL   1          3HG2      VAL   1   3.861   0.132  -2.811
    8   HG22  VAL   1          1HG2      VAL   1   5.028   1.144  -1.958
    9   HG23  VAL   1          2HG2      VAL   1   5.242  -0.606  -1.999
   10    H    SER   2           H        SER   2   1.669  -2.404  -0.077
   11    HA   SER   2           HA       SER   2   2.255  -3.903  -2.466
   12    HB2  SER   2           2HB      SER   2   1.910  -5.850  -1.150
   13    HB3  SER   2           3HB      SER   2   2.677  -4.684  -0.072
   14    HG   SER   2           HG       SER   2   0.145  -5.768   0.007
   15    H    VAL   3           H        VAL   3  -0.501  -2.421  -1.081
   16    HA   VAL   3           HA       VAL   3  -2.439  -4.112  -2.395
   17    HB   VAL   3           HB       VAL   3  -2.849  -1.439  -1.047
   18   HG11  VAL   3          1HG1      VAL   3  -5.203  -2.218  -0.870
   19   HG12  VAL   3          2HG1      VAL   3  -4.671  -1.941  -2.529
   20   HG13  VAL   3          3HG1      VAL   3  -4.785  -3.585  -1.902
   21   HG21  VAL   3          3HG2      VAL   3  -2.342  -2.568   0.820
   22   HG22  VAL   3          1HG2      VAL   3  -3.906  -3.354   0.602
   23   HG23  VAL   3          2HG2      VAL   3  -2.438  -4.131   0.010
   24    H    ASP   4           H        ASP   4  -0.626  -1.286  -3.147
   25    HA   ASP   4           HA       ASP   4  -2.297  -0.044  -5.015
   26    HB2  ASP   4           2HB      ASP   4   0.387   0.228  -4.122
   27    HB3  ASP   4           3HB      ASP   4   0.420   0.165  -5.882
   28    HA   PRO   5           HA       PRO   5  -0.123  -2.783  -8.369
   29    HB2  PRO   5           2HB      PRO   5   1.203  -4.976  -7.474
   30    HB3  PRO   5           3HB      PRO   5   1.980  -3.402  -7.680
   31    HG2  PRO   5           2HG      PRO   5   0.929  -4.683  -5.187
   32    HG3  PRO   5           3HG      PRO   5   2.441  -3.790  -5.434
   33    HD2  PRO   5           2HD      PRO   5   0.258  -2.670  -4.290
   34    HD3  PRO   5           3HD      PRO   5   1.402  -1.739  -5.278
   35    H    PHE   6           H        PHE   6  -1.511  -4.238  -5.501
   36    HA   PHE   6           HA       PHE   6  -2.473  -6.616  -6.652
   37    HB2  PHE   6           2HB      PHE   6  -2.339  -5.955  -4.167
   38    HB3  PHE   6           3HB      PHE   6  -3.882  -5.151  -4.432
   39    HD1  PHE   6           HD1      PHE   6  -2.162  -8.413  -4.490
   40    HD2  PHE   6           HD2      PHE   6  -5.897  -6.373  -4.552
   41    HE1  PHE   6           HE1      PHE   6  -3.330 -10.548  -4.126
   42    HE2  PHE   6           HE2      PHE   6  -7.071  -8.505  -4.187
   43    HZ   PHE   6           HZ       PHE   6  -5.788 -10.595  -3.973
   44    H    TYR   7           H        TYR   7  -4.226  -3.589  -5.950
   45    HA   TYR   7           HA       TYR   7  -6.514  -4.397  -7.467
   46    HB2  TYR   7           2HB      TYR   7  -7.533  -2.553  -6.605
   47    HB3  TYR   7           3HB      TYR   7  -6.186  -2.624  -5.474
   48    HD1  TYR   7           HD1      TYR   7  -4.213  -1.126  -5.825
   49    HD2  TYR   7           HD2      TYR   7  -7.786  -0.729  -8.100
   50    HE1  TYR   7           HE1      TYR   7  -3.535   1.145  -6.482
   51    HE2  TYR   7           HE2      TYR   7  -7.117   1.542  -8.765
   52    HH   TYR   7           HH       TYR   7  -4.818   3.299  -7.250
   53    H    GLU   8           H        GLU   8  -3.514  -3.015  -8.251
   54    HA   GLU   8           HA       GLU   8  -4.386  -1.548 -10.566
   55    HB2  GLU   8           2HB      GLU   8  -1.789  -2.169  -9.269
   56    HB3  GLU   8           3HB      GLU   8  -1.750  -1.814 -10.990
   57    HG2  GLU   8           2HG      GLU   8  -2.667   0.343 -10.658
   58    HG3  GLU   8           3HG      GLU   8  -3.064  -0.013  -8.978
   59    H    MET   9           H        MET   9  -2.892  -4.691  -9.941
   60    HA   MET   9           HA       MET   9  -2.750  -5.358 -12.742
   61    HB2  MET   9           2HB      MET   9  -1.842  -7.461 -12.026
   62    HB3  MET   9           3HB      MET   9  -1.112  -6.194 -11.050
   63    HG2  MET   9           2HG      MET   9  -3.102  -6.796  -9.422
   64    HG3  MET   9           3HG      MET   9  -3.011  -8.335 -10.275
   65    HE1  MET   9           3HE      MET   9   0.547  -8.752 -10.514
   66    HE2  MET   9           1HE      MET   9   0.036 -10.004  -9.382
   67    HE3  MET   9           2HE      MET   9  -1.017  -9.542 -10.719
   68    H    LEU  10           H        LEU  10  -4.829  -6.132 -10.001
   69    HA   LEU  10           HA       LEU  10  -6.400  -8.043 -11.452
   70    HB2  LEU  10           2HB      LEU  10  -6.435  -6.823  -8.760
   71    HB3  LEU  10           3HB      LEU  10  -7.978  -7.409  -9.378
   72    HG   LEU  10           HG       LEU  10  -6.967  -9.102  -7.999
   73   HD11  LEU  10          1HD1      LEU  10  -8.035  -9.564 -10.383
   74   HD12  LEU  10          2HD1      LEU  10  -7.386 -10.860  -9.378
   75   HD13  LEU  10          3HD1      LEU  10  -6.421 -10.202 -10.699
   76   HD21  LEU  10          3HD2      LEU  10  -4.803  -9.795  -8.096
   77   HD22  LEU  10          1HD2      LEU  10  -4.585  -8.142  -8.672
   78   HD23  LEU  10          2HD2      LEU  10  -4.658  -9.475  -9.825
   79    H    ALA  11           H        ALA  11  -8.126  -7.699 -12.701
   80    HA   ALA  11           HA       ALA  11  -8.933  -4.993 -13.279
   81    HB1  ALA  11           1HB      ALA  11  -8.749  -7.177 -14.822
   82    HB2  ALA  11           2HB      ALA  11 -10.466  -7.243 -14.423
   83    HB3  ALA  11           3HB      ALA  11  -9.796  -5.809 -15.202
   84    H    ALA  12           H        ALA  12 -10.354  -7.836 -11.739
   85    HA   ALA  12           HA       ALA  12 -12.934  -6.678 -11.372
   86    HB1  ALA  12           1HB      ALA  12 -13.432  -8.600 -10.036
   87    HB2  ALA  12           2HB      ALA  12 -12.477  -9.127 -11.422
   88    HB3  ALA  12           3HB      ALA  12 -11.719  -8.969  -9.838
   89    H    ARG  13           H        ARG  13  -9.937  -6.405  -9.724
   90    HA   ARG  13           HA       ARG  13 -10.927  -5.763  -7.139
   91    HB2  ARG  13           2HB      ARG  13  -8.312  -5.536  -8.546
   92    HB3  ARG  13           3HB      ARG  13  -8.550  -4.565  -7.099
   93    HG2  ARG  13           2HG      ARG  13  -9.217  -7.459  -6.985
   94    HG3  ARG  13           3HG      ARG  13  -7.519  -6.978  -6.981
   95    HD2  ARG  13           2HD      ARG  13  -8.517  -7.242  -4.710
   96    HD3  ARG  13           3HD      ARG  13  -7.828  -5.648  -5.020
   97    HE   ARG  13           HE       ARG  13 -10.679  -6.302  -4.827
   98   HH11  ARG  13          1HH1      ARG  13  -8.139  -3.943  -5.156
   99   HH12  ARG  13          2HH1      ARG  13  -9.168  -2.595  -4.803
  100   HH21  ARG  13          1HH2      ARG  13 -12.043  -4.535  -4.360
  101   HH22  ARG  13          2HH2      ARG  13 -11.388  -2.932  -4.349
  102    H    LYS  14           H        LYS  14  -9.905  -3.800  -9.912
  103    HA   LYS  14           HA       LYS  14 -10.220  -1.283  -8.729
  104    HB2  LYS  14           2HB      LYS  14 -10.559  -2.088 -11.624
  105    HB3  LYS  14           3HB      LYS  14 -10.397  -0.433 -11.051
  106    HG2  LYS  14           2HG      LYS  14  -8.163  -0.876 -10.264
  107    HG3  LYS  14           3HG      LYS  14  -8.320  -2.582 -10.687
  108    HD2  LYS  14           2HD      LYS  14  -8.075  -2.191 -12.922
  109    HD3  LYS  14           3HD      LYS  14  -8.800  -0.584 -12.831
  110    HE2  LYS  14           2HE      LYS  14  -6.182  -1.048 -11.490
  111    HE3  LYS  14           3HE      LYS  14  -6.214  -0.912 -13.247
  112    HZ1  LYS  14           3HZ      LYS  14  -7.768   1.142 -12.074
  113    HZ2  LYS  14           1HZ      LYS  14  -6.417   1.274 -13.084
  114    HZ3  LYS  14           2HZ      LYS  14  -6.212   1.151 -11.410
  115    H    LYS  15           H        LYS  15 -12.054  -0.853  -7.629
  116    HA   LYS  15           HA       LYS  15 -14.648  -1.588  -8.659
  117    HB2  LYS  15           2HB      LYS  15 -13.705  -0.132  -6.199
  118    HB3  LYS  15           3HB      LYS  15 -15.412  -0.221  -6.614
  119    HG2  LYS  15           2HG      LYS  15 -15.520  -2.498  -6.243
  120    HG3  LYS  15           3HG      LYS  15 -13.782  -2.719  -6.453
  121    HD2  LYS  15           2HD      LYS  15 -14.394  -2.960  -4.112
  122    HD3  LYS  15           3HD      LYS  15 -13.388  -1.528  -4.341
  123    HE2  LYS  15           2HE      LYS  15 -15.239  -0.077  -4.135
  124    HE3  LYS  15           3HE      LYS  15 -16.392  -1.400  -4.303
  125    HZ1  LYS  15           3HZ      LYS  15 -16.211  -1.942  -2.146
  126    HZ2  LYS  15           1HZ      LYS  15 -15.647  -0.357  -1.963
  127    HZ3  LYS  15           2HZ      LYS  15 -14.548  -1.637  -2.081
  128    H    ARG  16           H        ARG  16 -13.702   1.575  -7.363
  129    HA   ARG  16           HA       ARG  16 -15.402   2.903  -9.274
  130    HB2  ARG  16           2HB      ARG  16 -13.580   3.987  -7.120
  131    HB3  ARG  16           3HB      ARG  16 -14.655   4.972  -8.103
  132    HG2  ARG  16           2HG      ARG  16 -15.578   2.733  -6.316
  133    HG3  ARG  16           3HG      ARG  16 -15.537   4.434  -5.847
  134    HD2  ARG  16           2HD      ARG  16 -17.015   4.925  -7.801
  135    HD3  ARG  16           3HD      ARG  16 -17.156   3.187  -8.062
  136    HE   ARG  16           HE       ARG  16 -18.658   3.104  -6.347
  137   HH11  ARG  16          1HH1      ARG  16 -16.820   6.049  -6.080
  138   HH12  ARG  16          2HH1      ARG  16 -17.766   6.674  -4.770
  139   HH21  ARG  16          1HH2      ARG  16 -19.911   3.917  -4.622
  140   HH22  ARG  16          2HH2      ARG  16 -19.523   5.460  -3.941
  141    H    ILE  17           H        ILE  17 -11.943   2.553  -8.696
  142    HA   ILE  17           HA       ILE  17 -10.985   4.448 -10.501
  143    HB   ILE  17           HB       ILE  17  -8.975   2.859 -10.688
  144   HG12  ILE  17          2HG1      ILE  17 -10.754   1.011  -9.715
  145   HG13  ILE  17          3HG1      ILE  17  -9.003   0.842  -9.680
  146   HG21  ILE  17          1HG2      ILE  17  -8.298   3.354  -8.328
  147   HG22  ILE  17          2HG2      ILE  17  -8.903   4.742  -9.231
  148   HG23  ILE  17          3HG2      ILE  17  -9.937   3.941  -8.049
  149   HD11  ILE  17          3HD1      ILE  17  -8.893   1.576  -7.433
  150   HD12  ILE  17          1HD1      ILE  17 -10.579   2.090  -7.450
  151   HD13  ILE  17          2HD1      ILE  17 -10.179   0.373  -7.523
  152    H    SER  18           H        SER  18 -12.096   1.151 -11.021
  153    HA   SER  18           HA       SER  18 -11.176   0.784 -13.636
  154    HB2  SER  18           2HB      SER  18 -11.984  -1.169 -12.675
  155    HB3  SER  18           3HB      SER  18 -13.421  -0.378 -12.027
  156    HG   SER  18           HG       SER  18 -14.182  -1.487 -13.725
  157    H    VAL  19           H        VAL  19 -14.499   1.641 -12.653
  158    HA   VAL  19           HA       VAL  19 -15.393   2.326 -15.215
  159    HB   VAL  19           HB       VAL  19 -16.972   1.905 -13.434
  160   HG11  VAL  19          1HG1      VAL  19 -15.588   2.862 -11.609
  161   HG12  VAL  19          2HG1      VAL  19 -16.039   4.475 -12.164
  162   HG13  VAL  19          3HG1      VAL  19 -17.275   3.373 -11.555
  163   HG21  VAL  19          3HG2      VAL  19 -18.526   3.675 -13.845
  164   HG22  VAL  19          1HG2      VAL  19 -17.224   4.795 -14.249
  165   HG23  VAL  19          2HG2      VAL  19 -17.583   3.436 -15.315
  166    H    LYS  20           H        LYS  20 -13.897   4.279 -12.683
  167    HA   LYS  20           HA       LYS  20 -14.276   6.802 -13.842
  168    HB2  LYS  20           2HB      LYS  20 -13.487   6.318 -11.497
  169    HB3  LYS  20           3HB      LYS  20 -11.904   5.958 -12.175
  170    HG2  LYS  20           2HG      LYS  20 -13.148   8.571 -12.840
  171    HG3  LYS  20           3HG      LYS  20 -12.495   8.339 -11.216
  172    HD2  LYS  20           2HD      LYS  20 -10.407   7.434 -12.494
  173    HD3  LYS  20           3HD      LYS  20 -11.082   8.339 -13.851
  174    HE2  LYS  20           2HE      LYS  20 -10.759   9.640 -11.176
  175    HE3  LYS  20           3HE      LYS  20  -9.378   9.486 -12.259
  176    HZ1  LYS  20           3HZ      LYS  20 -10.473  11.602 -12.569
  177    HZ2  LYS  20           1HZ      LYS  20 -11.946  10.836 -12.893
  178    HZ3  LYS  20           2HZ      LYS  20 -10.649  10.659 -13.963
  179    H    LYS  21           H        LYS  21 -11.722   4.402 -14.269
  180    HA   LYS  21           HA       LYS  21 -10.082   6.036 -15.925
  181    HB2  LYS  21           2HB      LYS  21  -9.244   4.071 -14.663
  182    HB3  LYS  21           3HB      LYS  21 -10.170   3.020 -15.727
  183    HG2  LYS  21           2HG      LYS  21  -8.294   4.908 -17.016
  184    HG3  LYS  21           3HG      LYS  21  -7.593   3.565 -16.111
  185    HD2  LYS  21           2HD      LYS  21  -8.398   1.993 -17.556
  186    HD3  LYS  21           3HD      LYS  21  -9.820   2.951 -17.975
  187    HE2  LYS  21           2HE      LYS  21  -8.590   3.059 -19.923
  188    HE3  LYS  21           3HE      LYS  21  -8.084   4.533 -19.099
  189    HZ1  LYS  21           3HZ      LYS  21  -6.551   2.194 -19.778
  190    HZ2  LYS  21           1HZ      LYS  21  -6.323   2.707 -18.182
  191    HZ3  LYS  21           2HZ      LYS  21  -6.033   3.773 -19.462
  192    H    LYS  22           H        LYS  22 -12.579   3.619 -16.552
  193    HA   LYS  22           HA       LYS  22 -12.264   3.459 -19.339
  194    HB2  LYS  22           2HB      LYS  22 -13.630   1.934 -17.825
  195    HB3  LYS  22           3HB      LYS  22 -14.886   3.164 -17.876
  196    HG2  LYS  22           2HG      LYS  22 -14.924   2.945 -20.348
  197    HG3  LYS  22           3HG      LYS  22 -13.780   1.608 -20.203
  198    HD2  LYS  22           2HD      LYS  22 -16.280   1.514 -18.590
  199    HD3  LYS  22           3HD      LYS  22 -16.386   1.189 -20.322
  200    HE2  LYS  22           2HE      LYS  22 -14.524  -0.219 -18.412
  201    HE3  LYS  22           3HE      LYS  22 -16.079  -0.853 -18.950
  202    HZ1  LYS  22           3HZ      LYS  22 -13.551  -0.762 -20.336
  203    HZ2  LYS  22           1HZ      LYS  22 -14.866  -0.265 -21.277
  204    HZ3  LYS  22           2HZ      LYS  22 -14.871  -1.796 -20.558
  205    H    GLN  23           H        GLN  23 -13.560   5.927 -17.346
  206    HA   GLN  23           HA       GLN  23 -15.371   7.108 -19.166
  207    HB2  GLN  23           2HB      GLN  23 -13.802   8.358 -16.904
  208    HB3  GLN  23           3HB      GLN  23 -15.141   9.126 -17.746
  209    HG2  GLN  23           2HG      GLN  23 -16.215   6.726 -16.967
  210    HG3  GLN  23           3HG      GLN  23 -15.156   7.140 -15.620
  211   HE21  GLN  23          1HE2      GLN  23 -15.736   8.727 -14.247
  212   HE22  GLN  23          2HE2      GLN  23 -17.195   9.644 -14.375
  213    H    GLU  24           H        GLU  24 -11.949   7.035 -19.028
  214    HA   GLU  24           HA       GLU  24 -11.503   9.463 -20.496
  215    HB2  GLU  24           2HB      GLU  24  -9.875   8.270 -18.896
  216    HB3  GLU  24           3HB      GLU  24  -9.539   7.199 -20.248
  217    HG2  GLU  24           2HG      GLU  24  -8.838   9.115 -21.592
  218    HG3  GLU  24           3HG      GLU  24  -9.167  10.185 -20.231
  219    H    GLN  25           H        GLN  25 -11.311   5.996 -21.274
  220    HA   GLN  25           HA       GLN  25 -10.788   6.432 -24.040
  221    HB2  GLN  25           2HB      GLN  25 -11.426   4.073 -22.332
  222    HB3  GLN  25           3HB      GLN  25 -11.633   3.916 -24.071
  223    HG2  GLN  25           2HG      GLN  25  -9.097   4.687 -22.644
  224    HG3  GLN  25           3HG      GLN  25  -9.450   3.126 -23.384
  225   HE21  GLN  25          1HE2      GLN  25  -8.473   6.380 -23.904
  226   HE22  GLN  25          2HE2      GLN  25  -8.144   6.243 -25.594
  227    HA   PRO  26           HA       PRO  26 -14.788   6.972 -25.752
  228    HB2  PRO  26           2HB      PRO  26 -14.660   5.491 -28.024
  229    HB3  PRO  26           3HB      PRO  26 -13.794   7.018 -27.823
  230    HG2  PRO  26           2HG      PRO  26 -12.781   4.215 -27.544
  231    HG3  PRO  26           3HG      PRO  26 -12.016   5.607 -28.331
  232    HD2  PRO  26           2HD      PRO  26 -11.327   4.779 -25.847
  233    HD3  PRO  26           3HD      PRO  26 -11.268   6.485 -26.336
  Start of MODEL   13
    1    H1   VAL   1           H        VAL   1   2.941   0.104  -0.080
    2    HA   VAL   1           HA       VAL   1   2.680   0.422  -2.870
    3    HB   VAL   1           HB       VAL   1   4.854  -1.011  -1.337
    4   HG11  VAL   1          1HG1      VAL   1   4.492  -0.323  -4.194
    5   HG12  VAL   1          2HG1      VAL   1   6.097  -0.071  -3.504
    6   HG13  VAL   1          3HG1      VAL   1   5.354  -1.670  -3.451
    7   HG21  VAL   1          3HG2      VAL   1   6.072   1.143  -1.592
    8   HG22  VAL   1          1HG2      VAL   1   4.586   1.861  -2.214
    9   HG23  VAL   1          2HG2      VAL   1   4.648   1.254  -0.559
   10    H    SER   2           H        SER   2   2.272  -2.311  -0.768
   11    HA   SER   2           HA       SER   2   2.430  -4.275  -2.869
   12    HB2  SER   2           2HB      SER   2   1.689  -4.369   0.046
   13    HB3  SER   2           3HB      SER   2   1.432  -5.764  -1.001
   14    HG   SER   2           HG       SER   2   3.588  -5.940  -1.317
   15    H    VAL   3           H        VAL   3   0.030  -2.197  -1.591
   16    HA   VAL   3           HA       VAL   3  -2.223  -3.802  -2.423
   17    HB   VAL   3           HB       VAL   3  -2.199  -0.894  -1.607
   18   HG11  VAL   3          1HG1      VAL   3  -4.278  -2.776  -2.408
   19   HG12  VAL   3          2HG1      VAL   3  -4.601  -1.990  -0.862
   20   HG13  VAL   3          3HG1      VAL   3  -4.320  -1.016  -2.306
   21   HG21  VAL   3          3HG2      VAL   3  -3.187  -2.214   0.536
   22   HG22  VAL   3          1HG2      VAL   3  -1.989  -3.374  -0.037
   23   HG23  VAL   3          2HG2      VAL   3  -1.500  -1.729   0.368
   24    H    ASP   4           H        ASP   4  -0.152  -1.431  -3.814
   25    HA   ASP   4           HA       ASP   4  -1.826  -0.311  -5.755
   26    HB2  ASP   4           2HB      ASP   4   0.953  -0.286  -5.132
   27    HB3  ASP   4           3HB      ASP   4   0.788  -0.631  -6.852
   28    HA   PRO   5           HA       PRO   5  -0.350  -3.874  -8.689
   29    HB2  PRO   5           2HB      PRO   5   0.760  -6.046  -7.497
   30    HB3  PRO   5           3HB      PRO   5   1.711  -4.661  -8.045
   31    HG2  PRO   5           2HG      PRO   5   0.744  -5.323  -5.291
   32    HG3  PRO   5           3HG      PRO   5   2.328  -4.714  -5.804
   33    HD2  PRO   5           2HD      PRO   5   0.427  -3.108  -4.738
   34    HD3  PRO   5           3HD      PRO   5   1.583  -2.539  -5.958
   35    H    PHE   6           H        PHE   6  -1.540  -4.716  -5.480
   36    HA   PHE   6           HA       PHE   6  -2.936  -7.049  -6.121
   37    HB2  PHE   6           2HB      PHE   6  -2.469  -5.973  -3.813
   38    HB3  PHE   6           3HB      PHE   6  -3.953  -5.069  -4.099
   39    HD1  PHE   6           HD1      PHE   6  -6.104  -6.183  -4.128
   40    HD2  PHE   6           HD2      PHE   6  -2.512  -8.346  -3.393
   41    HE1  PHE   6           HE1      PHE   6  -7.423  -8.081  -3.285
   42    HE2  PHE   6           HE2      PHE   6  -3.826 -10.247  -2.550
   43    HZ   PHE   6           HZ       PHE   6  -6.284 -10.117  -2.496
   44    H    TYR   7           H        TYR   7  -4.330  -3.791  -5.693
   45    HA   TYR   7           HA       TYR   7  -6.814  -4.481  -6.864
   46    HB2  TYR   7           2HB      TYR   7  -7.462  -2.384  -6.287
   47    HB3  TYR   7           3HB      TYR   7  -5.975  -2.411  -5.346
   48    HD1  TYR   7           HD2      TYR   7  -3.944  -1.274  -6.218
   49    HD2  TYR   7           HD1      TYR   7  -7.715  -0.931  -8.159
   50    HE1  TYR   7           HE2      TYR   7  -3.126   0.694  -7.446
   51    HE2  TYR   7           HE1      TYR   7  -6.907   1.037  -9.394
   52    HH   TYR   7           HH       TYR   7  -5.130   2.300  -9.887
   53    H    GLU   8           H        GLU   8  -3.775  -3.633  -8.190
   54    HA   GLU   8           HA       GLU   8  -4.734  -2.571 -10.670
   55    HB2  GLU   8           2HB      GLU   8  -2.106  -3.293  -9.511
   56    HB3  GLU   8           3HB      GLU   8  -2.219  -3.348 -11.264
   57    HG2  GLU   8           2HG      GLU   8  -3.118  -0.950  -9.712
   58    HG3  GLU   8           3HG      GLU   8  -1.433  -1.178 -10.176
   59    H    MET   9           H        MET   9  -3.538  -5.724  -9.587
   60    HA   MET   9           HA       MET   9  -3.883  -6.918 -12.186
   61    HB2  MET   9           2HB      MET   9  -3.149  -8.967 -11.150
   62    HB3  MET   9           3HB      MET   9  -2.122  -7.654 -10.591
   63    HG2  MET   9           2HG      MET   9  -3.430  -7.548  -8.511
   64    HG3  MET   9           3HG      MET   9  -4.393  -8.913  -9.072
   65    HE1  MET   9           3HE      MET   9   0.008  -9.034  -7.734
   66    HE2  MET   9           1HE      MET   9  -0.552  -7.986  -9.038
   67    HE3  MET   9           2HE      MET   9  -1.129  -7.729  -7.391
   68    H    LEU  10           H        LEU  10  -5.614  -6.886  -9.112
   69    HA   LEU  10           HA       LEU  10  -7.601  -8.770  -9.988
   70    HB2  LEU  10           2HB      LEU  10  -6.974  -7.279  -7.547
   71    HB3  LEU  10           3HB      LEU  10  -8.699  -7.498  -7.833
   72    HG   LEU  10           HG       LEU  10  -7.920  -9.251  -6.396
   73   HD11  LEU  10          1HD1      LEU  10  -8.035 -10.998  -8.667
   74   HD12  LEU  10          2HD1      LEU  10  -9.186  -9.677  -8.858
   75   HD13  LEU  10          3HD1      LEU  10  -9.248 -10.698  -7.422
   76   HD21  LEU  10          3HD2      LEU  10  -5.958 -10.037  -8.543
   77   HD22  LEU  10          1HD2      LEU  10  -6.135 -10.736  -6.933
   78   HD23  LEU  10          2HD2      LEU  10  -5.528  -9.090  -7.117
   79    H    ALA  11           H        ALA  11  -9.425  -8.366 -11.058
   80    HA   ALA  11           HA       ALA  11  -9.998  -5.679 -11.930
   81    HB1  ALA  11           1HB      ALA  11 -10.770  -6.782 -13.690
   82    HB2  ALA  11           2HB      ALA  11 -10.577  -8.318 -12.843
   83    HB3  ALA  11           3HB      ALA  11 -12.085  -7.415 -12.699
   84    H    ALA  12           H        ALA  12 -11.490  -8.076  -9.808
   85    HA   ALA  12           HA       ALA  12 -13.875  -6.638  -9.311
   86    HB1  ALA  12           1HB      ALA  12 -14.437  -8.363  -7.970
   87    HB2  ALA  12           2HB      ALA  12 -13.063  -9.142  -8.756
   88    HB3  ALA  12           3HB      ALA  12 -12.865  -8.396  -7.170
   89    H    ARG  13           H        ARG  13 -10.659  -6.258  -8.181
   90    HA   ARG  13           HA       ARG  13 -11.308  -4.930  -5.723
   91    HB2  ARG  13           2HB      ARG  13  -8.867  -5.622  -7.219
   92    HB3  ARG  13           3HB      ARG  13  -8.761  -4.134  -6.288
   93    HG2  ARG  13           2HG      ARG  13  -9.544  -6.827  -5.193
   94    HG3  ARG  13           3HG      ARG  13  -7.960  -6.067  -5.027
   95    HD2  ARG  13           2HD      ARG  13  -9.377  -4.089  -4.032
   96    HD3  ARG  13           3HD      ARG  13 -10.553  -5.369  -3.734
   97    HE   ARG  13           HE       ARG  13  -9.170  -6.233  -2.109
   98   HH11  ARG  13          1HH1      ARG  13  -7.482  -3.792  -3.928
   99   HH12  ARG  13          2HH1      ARG  13  -6.140  -3.720  -2.834
  100   HH21  ARG  13          1HH2      ARG  13  -7.409  -6.148  -0.662
  101   HH22  ARG  13          2HH2      ARG  13  -6.099  -5.061  -0.977
  102    H    LYS  14           H        LYS  14 -10.475  -3.925  -9.002
  103    HA   LYS  14           HA       LYS  14 -10.250  -1.163  -8.483
  104    HB2  LYS  14           2HB      LYS  14 -11.033  -2.585 -11.035
  105    HB3  LYS  14           3HB      LYS  14 -10.566  -0.893 -10.922
  106    HG2  LYS  14           2HG      LYS  14  -8.343  -1.501 -10.231
  107    HG3  LYS  14           3HG      LYS  14  -8.792  -3.207 -10.171
  108    HD2  LYS  14           2HD      LYS  14  -8.789  -3.428 -12.449
  109    HD3  LYS  14           3HD      LYS  14  -9.216  -1.737 -12.722
  110    HE2  LYS  14           2HE      LYS  14  -6.537  -2.619 -11.667
  111    HE3  LYS  14           3HE      LYS  14  -6.874  -2.401 -13.383
  112    HZ1  LYS  14           3HZ      LYS  14  -5.974  -0.382 -12.731
  113    HZ2  LYS  14           1HZ      LYS  14  -6.790  -0.365 -11.249
  114    HZ3  LYS  14           2HZ      LYS  14  -7.637  -0.077 -12.684
  115    H    LYS  15           H        LYS  15 -11.897  -0.282  -7.323
  116    HA   LYS  15           HA       LYS  15 -14.656  -0.784  -7.998
  117    HB2  LYS  15           2HB      LYS  15 -13.440   1.189  -6.055
  118    HB3  LYS  15           3HB      LYS  15 -15.152   0.807  -6.182
  119    HG2  LYS  15           2HG      LYS  15 -12.991  -1.157  -5.444
  120    HG3  LYS  15           3HG      LYS  15 -14.057  -0.334  -4.304
  121    HD2  LYS  15           2HD      LYS  15 -15.767  -1.720  -4.735
  122    HD3  LYS  15           3HD      LYS  15 -15.478  -1.678  -6.476
  123    HE2  LYS  15           2HE      LYS  15 -14.860  -3.819  -6.190
  124    HE3  LYS  15           3HE      LYS  15 -13.342  -3.118  -5.630
  125    HZ1  LYS  15           3HZ      LYS  15 -15.352  -4.546  -4.154
  126    HZ2  LYS  15           1HZ      LYS  15 -14.881  -3.104  -3.405
  127    HZ3  LYS  15           2HZ      LYS  15 -13.724  -4.279  -3.782
  128    H    ARG  16           H        ARG  16 -13.211   2.397  -7.426
  129    HA   ARG  16           HA       ARG  16 -14.850   3.537  -9.513
  130    HB2  ARG  16           2HB      ARG  16 -12.931   4.681  -7.497
  131    HB3  ARG  16           3HB      ARG  16 -13.607   5.670  -8.784
  132    HG2  ARG  16           2HG      ARG  16 -15.447   4.091  -7.055
  133    HG3  ARG  16           3HG      ARG  16 -14.734   5.578  -6.429
  134    HD2  ARG  16           2HD      ARG  16 -15.774   6.899  -8.039
  135    HD3  ARG  16           3HD      ARG  16 -16.060   5.531  -9.113
  136    HE   ARG  16           HE       ARG  16 -17.748   6.435  -6.986
  137   HH11  ARG  16          1HH1      ARG  16 -16.770   3.651  -8.833
  138   HH12  ARG  16          2HH1      ARG  16 -18.246   2.786  -8.556
  139   HH21  ARG  16          1HH2      ARG  16 -19.695   5.307  -6.615
  140   HH22  ARG  16          2HH2      ARG  16 -19.909   3.730  -7.295
  141    H    ILE  17           H        ILE  17 -11.621   2.404  -9.162
  142    HA   ILE  17           HA       ILE  17 -10.440   3.946 -11.251
  143    HB   ILE  17           HB       ILE  17  -8.707   2.030 -11.192
  144   HG12  ILE  17          2HG1      ILE  17 -10.650   0.737  -9.777
  145   HG13  ILE  17          3HG1      ILE  17  -8.939   0.328  -9.723
  146   HG21  ILE  17          1HG2      ILE  17  -9.287   3.819  -8.842
  147   HG22  ILE  17          2HG2      ILE  17  -7.792   2.902  -9.021
  148   HG23  ILE  17          3HG2      ILE  17  -8.216   4.136 -10.207
  149   HD11  ILE  17          3HD1      ILE  17 -10.105   0.549  -7.507
  150   HD12  ILE  17          1HD1      ILE  17  -8.629   1.494  -7.700
  151   HD13  ILE  17          2HD1      ILE  17 -10.203   2.280  -7.828
  152    H    SER  18           H        SER  18 -12.039   0.817 -11.077
  153    HA   SER  18           HA       SER  18 -11.346  -0.176 -13.596
  154    HB2  SER  18           2HB      SER  18 -12.371  -1.757 -12.236
  155    HB3  SER  18           3HB      SER  18 -13.642  -0.646 -11.727
  156    HG   SER  18           HG       SER  18 -13.912  -2.456 -13.506
  157    H    VAL  19           H        VAL  19 -14.354   1.500 -12.659
  158    HA   VAL  19           HA       VAL  19 -15.378   1.756 -15.257
  159    HB   VAL  19           HB       VAL  19 -16.810   2.065 -13.332
  160   HG11  VAL  19          1HG1      VAL  19 -15.305   4.618 -12.778
  161   HG12  VAL  19          2HG1      VAL  19 -16.644   3.947 -11.846
  162   HG13  VAL  19          3HG1      VAL  19 -15.089   3.115 -11.880
  163   HG21  VAL  19          3HG2      VAL  19 -17.178   3.313 -15.553
  164   HG22  VAL  19          1HG2      VAL  19 -18.118   3.814 -14.148
  165   HG23  VAL  19          2HG2      VAL  19 -16.715   4.756 -14.651
  166    H    LYS  20           H        LYS  20 -13.295   3.876 -13.351
  167    HA   LYS  20           HA       LYS  20 -13.326   6.104 -15.052
  168    HB2  LYS  20           2HB      LYS  20 -12.417   6.084 -12.735
  169    HB3  LYS  20           3HB      LYS  20 -11.042   5.153 -13.314
  170    HG2  LYS  20           2HG      LYS  20 -10.266   7.347 -13.218
  171    HG3  LYS  20           3HG      LYS  20 -10.629   7.086 -14.925
  172    HD2  LYS  20           2HD      LYS  20 -12.494   8.444 -14.873
  173    HD3  LYS  20           3HD      LYS  20 -12.729   8.230 -13.137
  174    HE2  LYS  20           2HE      LYS  20 -11.963  10.453 -13.459
  175    HE3  LYS  20           3HE      LYS  20 -10.609   9.539 -12.797
  176    HZ1  LYS  20           3HZ      LYS  20 -10.976  10.056 -15.694
  177    HZ2  LYS  20           1HZ      LYS  20  -9.611   9.410 -14.932
  178    HZ3  LYS  20           2HZ      LYS  20 -10.031  11.029 -14.682
  179    H    LYS  21           H        LYS  21 -11.290   3.216 -15.032
  180    HA   LYS  21           HA       LYS  21  -9.505   4.036 -17.055
  181    HB2  LYS  21           2HB      LYS  21  -9.021   2.165 -15.552
  182    HB3  LYS  21           3HB      LYS  21 -10.352   1.248 -16.246
  183    HG2  LYS  21           2HG      LYS  21  -8.235   2.223 -18.082
  184    HG3  LYS  21           3HG      LYS  21  -7.849   0.880 -17.003
  185    HD2  LYS  21           2HD      LYS  21 -10.104  -0.100 -17.872
  186    HD3  LYS  21           3HD      LYS  21  -9.864   1.027 -19.209
  187    HE2  LYS  21           2HE      LYS  21  -8.812  -0.833 -20.035
  188    HE3  LYS  21           3HE      LYS  21  -7.459  -0.026 -19.243
  189    HZ1  LYS  21           3HZ      LYS  21  -8.544  -1.560 -17.277
  190    HZ2  LYS  21           1HZ      LYS  21  -7.167  -1.943 -18.182
  191    HZ3  LYS  21           2HZ      LYS  21  -8.677  -2.547 -18.644
  192    H    LYS  22           H        LYS  22 -12.569   2.277 -17.157
  193    HA   LYS  22           HA       LYS  22 -12.487   1.762 -19.956
  194    HB2  LYS  22           2HB      LYS  22 -13.928   0.685 -18.021
  195    HB3  LYS  22           3HB      LYS  22 -15.073   1.943 -18.469
  196    HG2  LYS  22           2HG      LYS  22 -15.824   0.365 -19.881
  197    HG3  LYS  22           3HG      LYS  22 -14.509   0.955 -20.901
  198    HD2  LYS  22           2HD      LYS  22 -13.869  -1.164 -18.923
  199    HD3  LYS  22           3HD      LYS  22 -14.824  -1.626 -20.333
  200    HE2  LYS  22           2HE      LYS  22 -12.182  -0.177 -20.444
  201    HE3  LYS  22           3HE      LYS  22 -12.381  -1.917 -20.651
  202    HZ1  LYS  22           3HZ      LYS  22 -12.926   0.234 -22.500
  203    HZ2  LYS  22           1HZ      LYS  22 -14.140  -0.942 -22.426
  204    HZ3  LYS  22           2HZ      LYS  22 -12.553  -1.388 -22.804
  205    H    GLN  23           H        GLN  23 -13.279   4.510 -18.071
  206    HA   GLN  23           HA       GLN  23 -15.026   5.755 -19.970
  207    HB2  GLN  23           2HB      GLN  23 -13.568   6.753 -17.531
  208    HB3  GLN  23           3HB      GLN  23 -14.524   7.821 -18.550
  209    HG2  GLN  23           2HG      GLN  23 -15.795   5.336 -17.540
  210    HG3  GLN  23           3HG      GLN  23 -15.536   6.666 -16.413
  211   HE21  GLN  23          1HE2      GLN  23 -17.995   6.291 -16.524
  212   HE22  GLN  23          2HE2      GLN  23 -18.849   7.307 -17.630
  213    H    GLU  24           H        GLU  24 -14.115   6.001 -21.952
  214    HA   GLU  24           HA       GLU  24 -11.433   6.756 -22.415
  215    HB2  GLU  24           2HB      GLU  24 -12.992   5.606 -24.044
  216    HB3  GLU  24           3HB      GLU  24 -13.747   7.172 -24.307
  217    HG2  GLU  24           2HG      GLU  24 -12.059   6.533 -26.016
  218    HG3  GLU  24           3HG      GLU  24 -11.749   8.075 -25.220
  219    H    GLN  25           H        GLN  25 -10.512   8.655 -22.069
  220    HA   GLN  25           HA       GLN  25 -12.049  11.001 -21.503
  221    HB2  GLN  25           2HB      GLN  25  -9.155  10.298 -21.558
  222    HB3  GLN  25           3HB      GLN  25  -9.589  12.000 -21.653
  223    HG2  GLN  25           2HG      GLN  25 -10.951  10.480 -19.543
  224    HG3  GLN  25           3HG      GLN  25  -9.206  10.643 -19.353
  225   HE21  GLN  25          1HE2      GLN  25 -12.192  12.102 -18.905
  226   HE22  GLN  25          2HE2      GLN  25 -11.645  13.693 -18.512
  227    HA   PRO  26           HA       PRO  26 -12.232  12.973 -25.415
  228    HB2  PRO  26           2HB      PRO  26 -11.750  15.570 -24.790
  229    HB3  PRO  26           3HB      PRO  26 -13.256  14.745 -24.371
  230    HG2  PRO  26           2HG      PRO  26 -10.858  15.293 -22.664
  231    HG3  PRO  26           3HG      PRO  26 -12.578  15.447 -22.260
  232    HD2  PRO  26           2HD      PRO  26 -11.088  13.320 -21.495
  233    HD3  PRO  26           3HD      PRO  26 -12.819  13.189 -21.869
  Start of MODEL   14
    1    H1   VAL   1           H        VAL   1   1.483   0.023   1.118
    2    HA   VAL   1           HA       VAL   1   1.729   0.778  -1.570
    3    HB   VAL   1           HB       VAL   1   3.579   1.042  -0.024
    4   HG11  VAL   1          1HG1      VAL   1   4.774  -0.743   0.953
    5   HG12  VAL   1          2HG1      VAL   1   3.068  -1.109   1.215
    6   HG13  VAL   1          3HG1      VAL   1   3.964  -1.940  -0.057
    7   HG21  VAL   1          3HG2      VAL   1   3.773   0.176  -2.629
    8   HG22  VAL   1          1HG2      VAL   1   5.081   0.868  -1.669
    9   HG23  VAL   1          2HG2      VAL   1   4.893  -0.882  -1.772
   10    H    SER   2           H        SER   2   1.439  -2.368  -0.052
   11    HA   SER   2           HA       SER   2   2.085  -3.823  -2.453
   12    HB2  SER   2           2HB      SER   2   1.511  -5.815  -1.156
   13    HB3  SER   2           3HB      SER   2   2.557  -4.756  -0.211
   14    HG   SER   2           HG       SER   2   0.834  -5.460   1.059
   15    H    VAL   3           H        VAL   3  -0.708  -2.377  -1.104
   16    HA   VAL   3           HA       VAL   3  -2.609  -4.052  -2.490
   17    HB   VAL   3           HB       VAL   3  -4.307  -2.501  -1.664
   18   HG11  VAL   3          1HG1      VAL   3  -2.345  -3.063   0.548
   19   HG12  VAL   3          2HG1      VAL   3  -4.105  -2.986   0.651
   20   HG13  VAL   3          3HG1      VAL   3  -3.328  -4.312  -0.215
   21   HG21  VAL   3          3HG2      VAL   3  -2.970  -0.436  -1.912
   22   HG22  VAL   3          1HG2      VAL   3  -3.737  -0.568  -0.330
   23   HG23  VAL   3          2HG2      VAL   3  -2.017  -0.913  -0.507
   24    H    ASP   4           H        ASP   4  -0.793  -1.204  -3.150
   25    HA   ASP   4           HA       ASP   4  -2.429   0.065  -5.032
   26    HB2  ASP   4           2HB      ASP   4   0.237   0.328  -4.077
   27    HB3  ASP   4           3HB      ASP   4   0.303   0.304  -5.838
   28    HA   PRO   5           HA       PRO   5  -0.169  -2.605  -8.385
   29    HB2  PRO   5           2HB      PRO   5   1.142  -4.811  -7.500
   30    HB3  PRO   5           3HB      PRO   5   1.919  -3.231  -7.660
   31    HG2  PRO   5           2HG      PRO   5   0.815  -4.561  -5.216
   32    HG3  PRO   5           3HG      PRO   5   2.329  -3.660  -5.411
   33    HD2  PRO   5           2HD      PRO   5   0.117  -2.566  -4.297
   34    HD3  PRO   5           3HD      PRO   5   1.281  -1.614  -5.241
   35    H    PHE   6           H        PHE   6  -1.499  -4.238  -5.559
   36    HA   PHE   6           HA       PHE   6  -2.474  -6.541  -6.817
   37    HB2  PHE   6           2HB      PHE   6  -2.336  -5.964  -4.299
   38    HB3  PHE   6           3HB      PHE   6  -3.909  -5.207  -4.535
   39    HD1  PHE   6           HD1      PHE   6  -5.868  -6.549  -5.072
   40    HD2  PHE   6           HD2      PHE   6  -2.079  -8.348  -4.349
   41    HE1  PHE   6           HE1      PHE   6  -6.963  -8.735  -4.791
   42    HE2  PHE   6           HE2      PHE   6  -3.167 -10.537  -4.068
   43    HZ   PHE   6           HZ       PHE   6  -5.612 -10.732  -4.290
   44    H    TYR   7           H        TYR   7  -4.232  -3.550  -5.989
   45    HA   TYR   7           HA       TYR   7  -6.540  -4.307  -7.497
   46    HB2  TYR   7           2HB      TYR   7  -7.534  -2.516  -6.531
   47    HB3  TYR   7           3HB      TYR   7  -6.121  -2.541  -5.483
   48    HD1  TYR   7           HD1      TYR   7  -4.263  -0.950  -5.873
   49    HD2  TYR   7           HD2      TYR   7  -7.884  -0.746  -8.099
   50    HE1  TYR   7           HE1      TYR   7  -3.694   1.336  -6.580
   51    HE2  TYR   7           HE2      TYR   7  -7.324   1.540  -8.812
   52    HH   TYR   7           HH       TYR   7  -4.293   3.092  -7.795
   53    H    GLU   8           H        GLU   8  -3.542  -2.940  -8.301
   54    HA   GLU   8           HA       GLU   8  -4.447  -1.424 -10.577
   55    HB2  GLU   8           2HB      GLU   8  -1.844  -2.031  -9.297
   56    HB3  GLU   8           3HB      GLU   8  -1.804  -1.690 -11.021
   57    HG2  GLU   8           2HG      GLU   8  -3.285   0.156  -9.216
   58    HG3  GLU   8           3HG      GLU   8  -1.524   0.224  -9.266
   59    H    MET   9           H        MET   9  -2.922  -4.566 -10.018
   60    HA   MET   9           HA       MET   9  -2.801  -5.187 -12.829
   61    HB2  MET   9           2HB      MET   9  -2.004  -7.391 -12.079
   62    HB3  MET   9           3HB      MET   9  -1.107  -6.080 -11.323
   63    HG2  MET   9           2HG      MET   9  -2.908  -6.408  -9.427
   64    HG3  MET   9           3HG      MET   9  -3.005  -8.021 -10.128
   65    HE1  MET   9           3HE      MET   9  -1.143  -9.891  -9.802
   66    HE2  MET   9           1HE      MET   9  -0.381  -8.899 -11.046
   67    HE3  MET   9           2HE      MET   9   0.554  -9.436  -9.651
   68    H    LEU  10           H        LEU  10  -4.816  -6.103 -10.071
   69    HA   LEU  10           HA       LEU  10  -6.416  -7.934 -11.596
   70    HB2  LEU  10           2HB      LEU  10  -6.323  -6.938  -8.827
   71    HB3  LEU  10           3HB      LEU  10  -7.921  -7.398  -9.412
   72    HG   LEU  10           HG       LEU  10  -6.949  -9.252  -8.239
   73   HD11  LEU  10          1HD1      LEU  10  -7.840  -9.349 -10.890
   74   HD12  LEU  10          2HD1      LEU  10  -7.823 -10.661  -9.712
   75   HD13  LEU  10          3HD1      LEU  10  -6.458 -10.441 -10.806
   76   HD21  LEU  10          3HD2      LEU  10  -4.583  -8.520  -8.539
   77   HD22  LEU  10          1HD2      LEU  10  -4.649  -9.153 -10.184
   78   HD23  LEU  10          2HD2      LEU  10  -4.848 -10.243  -8.811
   79    H    ALA  11           H        ALA  11  -8.047  -7.447 -12.897
   80    HA   ALA  11           HA       ALA  11  -8.973  -4.728 -13.129
   81    HB1  ALA  11           1HB      ALA  11  -9.295  -7.233 -14.675
   82    HB2  ALA  11           2HB      ALA  11 -10.566  -6.020 -14.831
   83    HB3  ALA  11           3HB      ALA  11  -8.897  -5.604 -15.221
   84    H    ALA  12           H        ALA  12  -9.998  -7.591 -11.523
   85    HA   ALA  12           HA       ALA  12 -12.770  -6.814 -11.302
   86    HB1  ALA  12           1HB      ALA  12 -11.357  -8.939  -9.708
   87    HB2  ALA  12           2HB      ALA  12 -13.081  -8.805 -10.056
   88    HB3  ALA  12           3HB      ALA  12 -11.948  -9.196 -11.350
   89    H    ARG  13           H        ARG  13  -9.851  -6.207  -9.600
   90    HA   ARG  13           HA       ARG  13 -11.014  -5.662  -7.046
   91    HB2  ARG  13           2HB      ARG  13  -8.361  -5.584  -8.257
   92    HB3  ARG  13           3HB      ARG  13  -8.635  -4.248  -7.147
   93    HG2  ARG  13           2HG      ARG  13  -9.076  -7.142  -6.452
   94    HG3  ARG  13           3HG      ARG  13  -7.598  -6.244  -6.102
   95    HD2  ARG  13           2HD      ARG  13  -9.200  -4.563  -4.943
   96    HD3  ARG  13           3HD      ARG  13 -10.337  -5.911  -4.945
   97    HE   ARG  13           HE       ARG  13  -9.072  -6.952  -3.331
   98   HH11  ARG  13          1HH1      ARG  13  -7.317  -4.245  -4.640
   99   HH12  ARG  13          2HH1      ARG  13  -6.075  -4.300  -3.433
  100   HH21  ARG  13          1HH2      ARG  13  -7.442  -7.034  -1.737
  101   HH22  ARG  13          2HH2      ARG  13  -6.147  -5.887  -1.783
  102    H    LYS  14           H        LYS  14 -10.108  -3.720  -9.851
  103    HA   LYS  14           HA       LYS  14 -10.494  -1.181  -8.736
  104    HB2  LYS  14           2HB      LYS  14 -10.888  -2.100 -11.590
  105    HB3  LYS  14           3HB      LYS  14 -10.798  -0.420 -11.080
  106    HG2  LYS  14           2HG      LYS  14  -8.523  -0.673 -10.404
  107    HG3  LYS  14           3HG      LYS  14  -8.591  -2.419 -10.650
  108    HD2  LYS  14           2HD      LYS  14  -8.219  -2.229 -12.852
  109    HD3  LYS  14           3HD      LYS  14  -9.353  -0.886 -13.015
  110    HE2  LYS  14           2HE      LYS  14  -7.412   0.203 -13.508
  111    HE3  LYS  14           3HE      LYS  14  -7.424   0.417 -11.758
  112    HZ1  LYS  14           3HZ      LYS  14  -5.277  -0.313 -12.318
  113    HZ2  LYS  14           1HZ      LYS  14  -5.853  -1.533 -13.339
  114    HZ3  LYS  14           2HZ      LYS  14  -6.047  -1.670 -11.664
  115    H    LYS  15           H        LYS  15 -12.294  -0.669  -7.650
  116    HA   LYS  15           HA       LYS  15 -14.891  -1.616  -8.487
  117    HB2  LYS  15           2HB      LYS  15 -13.960   0.152  -6.228
  118    HB3  LYS  15           3HB      LYS  15 -15.662  -0.167  -6.537
  119    HG2  LYS  15           2HG      LYS  15 -15.565  -2.186  -5.601
  120    HG3  LYS  15           3HG      LYS  15 -14.052  -2.590  -6.415
  121    HD2  LYS  15           2HD      LYS  15 -13.668  -2.580  -4.043
  122    HD3  LYS  15           3HD      LYS  15 -12.851  -1.183  -4.750
  123    HE2  LYS  15           2HE      LYS  15 -15.547  -0.505  -4.010
  124    HE3  LYS  15           3HE      LYS  15 -14.693  -1.206  -2.636
  125    HZ1  LYS  15           3HZ      LYS  15 -12.835   0.424  -3.344
  126    HZ2  LYS  15           1HZ      LYS  15 -14.162   1.011  -2.473
  127    HZ3  LYS  15           2HZ      LYS  15 -14.079   1.244  -4.146
  128    H    ARG  16           H        ARG  16 -14.240   1.681  -7.423
  129    HA   ARG  16           HA       ARG  16 -15.932   2.705  -9.533
  130    HB2  ARG  16           2HB      ARG  16 -15.887   3.513  -7.099
  131    HB3  ARG  16           3HB      ARG  16 -14.402   4.352  -7.529
  132    HG2  ARG  16           2HG      ARG  16 -16.288   5.856  -7.653
  133    HG3  ARG  16           3HG      ARG  16 -15.615   5.590  -9.262
  134    HD2  ARG  16           2HD      ARG  16 -18.132   5.552  -9.100
  135    HD3  ARG  16           3HD      ARG  16 -17.389   4.151  -9.869
  136    HE   ARG  16           HE       ARG  16 -18.256   2.853  -8.209
  137   HH11  ARG  16          1HH1      ARG  16 -18.152   6.152  -7.100
  138   HH12  ARG  16          2HH1      ARG  16 -18.975   5.815  -5.613
  139   HH21  ARG  16          1HH2      ARG  16 -19.341   2.398  -6.255
  140   HH22  ARG  16          2HH2      ARG  16 -19.651   3.679  -5.133
  141    H    ILE  17           H        ILE  17 -12.568   2.331  -8.918
  142    HA   ILE  17           HA       ILE  17 -11.581   4.416 -10.563
  143    HB   ILE  17           HB       ILE  17  -9.498   2.898 -10.659
  144   HG12  ILE  17          2HG1      ILE  17 -11.258   0.996  -9.750
  145   HG13  ILE  17          3HG1      ILE  17  -9.504   0.889  -9.636
  146   HG21  ILE  17          1HG2      ILE  17  -8.954   3.439  -8.277
  147   HG22  ILE  17          2HG2      ILE  17  -9.566   4.796  -9.220
  148   HG23  ILE  17          3HG2      ILE  17 -10.625   3.966  -8.080
  149   HD11  ILE  17          3HD1      ILE  17 -10.704   0.383  -7.527
  150   HD12  ILE  17          1HD1      ILE  17  -9.538   1.699  -7.393
  151   HD13  ILE  17          2HD1      ILE  17 -11.262   2.056  -7.496
  152    H    SER  18           H        SER  18 -12.488   1.070 -11.176
  153    HA   SER  18           HA       SER  18 -11.417   0.792 -13.744
  154    HB2  SER  18           2HB      SER  18 -13.188  -0.681 -12.037
  155    HB3  SER  18           3HB      SER  18 -13.867  -0.636 -13.664
  156    HG   SER  18           HG       SER  18 -12.289  -1.856 -14.360
  157    H    VAL  19           H        VAL  19 -14.796   1.543 -12.872
  158    HA   VAL  19           HA       VAL  19 -15.653   2.153 -15.466
  159    HB   VAL  19           HB       VAL  19 -17.258   1.732 -13.708
  160   HG11  VAL  19          1HG1      VAL  19 -17.634   3.235 -11.868
  161   HG12  VAL  19          2HG1      VAL  19 -15.934   2.760 -11.876
  162   HG13  VAL  19          3HG1      VAL  19 -16.409   4.350 -12.475
  163   HG21  VAL  19          3HG2      VAL  19 -18.793   3.029 -14.685
  164   HG22  VAL  19          1HG2      VAL  19 -18.016   4.510 -14.123
  165   HG23  VAL  19          2HG2      VAL  19 -17.459   3.727 -15.602
  166    H    LYS  20           H        LYS  20 -14.254   4.193 -12.946
  167    HA   LYS  20           HA       LYS  20 -14.669   6.684 -14.154
  168    HB2  LYS  20           2HB      LYS  20 -13.982   6.574 -11.858
  169    HB3  LYS  20           3HB      LYS  20 -12.505   5.719 -12.283
  170    HG2  LYS  20           2HG      LYS  20 -11.593   7.666 -13.322
  171    HG3  LYS  20           3HG      LYS  20 -13.123   8.531 -13.157
  172    HD2  LYS  20           2HD      LYS  20 -11.990   9.380 -11.358
  173    HD3  LYS  20           3HD      LYS  20 -12.760   7.983 -10.601
  174    HE2  LYS  20           2HE      LYS  20 -10.542   7.860  -9.886
  175    HE3  LYS  20           3HE      LYS  20 -10.620   6.714 -11.223
  176    HZ1  LYS  20           3HZ      LYS  20  -9.702   8.447 -12.672
  177    HZ2  LYS  20           1HZ      LYS  20  -8.651   8.058 -11.405
  178    HZ3  LYS  20           2HZ      LYS  20  -9.558   9.484 -11.344
  179    H    LYS  21           H        LYS  21 -12.051   4.340 -14.513
  180    HA   LYS  21           HA       LYS  21 -10.553   6.030 -16.302
  181    HB2  LYS  21           2HB      LYS  21  -9.416   4.426 -14.828
  182    HB3  LYS  21           3HB      LYS  21 -10.231   3.096 -15.640
  183    HG2  LYS  21           2HG      LYS  21  -8.704   4.903 -17.389
  184    HG3  LYS  21           3HG      LYS  21  -7.753   3.948 -16.249
  185    HD2  LYS  21           2HD      LYS  21  -9.270   1.988 -17.117
  186    HD3  LYS  21           3HD      LYS  21  -9.479   3.050 -18.512
  187    HE2  LYS  21           2HE      LYS  21  -6.748   2.440 -17.441
  188    HE3  LYS  21           3HE      LYS  21  -7.561   1.313 -18.526
  189    HZ1  LYS  21           3HZ      LYS  21  -7.461   2.775 -20.269
  190    HZ2  LYS  21           1HZ      LYS  21  -6.019   3.158 -19.471
  191    HZ3  LYS  21           2HZ      LYS  21  -7.378   4.145 -19.281
  192    H    LYS  22           H        LYS  22 -13.110   3.764 -16.577
  193    HA   LYS  22           HA       LYS  22 -12.616   3.072 -19.330
  194    HB2  LYS  22           2HB      LYS  22 -14.753   2.491 -17.327
  195    HB3  LYS  22           3HB      LYS  22 -15.124   2.277 -19.033
  196    HG2  LYS  22           2HG      LYS  22 -13.144   0.780 -19.209
  197    HG3  LYS  22           3HG      LYS  22 -12.956   0.907 -17.458
  198    HD2  LYS  22           2HD      LYS  22 -15.378   0.112 -17.315
  199    HD3  LYS  22           3HD      LYS  22 -15.212  -0.328 -19.016
  200    HE2  LYS  22           2HE      LYS  22 -13.403  -1.828 -18.502
  201    HE3  LYS  22           3HE      LYS  22 -13.385  -1.297 -16.821
  202    HZ1  LYS  22           3HZ      LYS  22 -14.572  -3.256 -16.732
  203    HZ2  LYS  22           1HZ      LYS  22 -15.360  -2.988 -18.205
  204    HZ3  LYS  22           2HZ      LYS  22 -15.813  -2.111 -16.832
  205    H    GLN  23           H        GLN  23 -14.144   5.637 -17.649
  206    HA   GLN  23           HA       GLN  23 -16.103   6.414 -19.496
  207    HB2  GLN  23           2HB      GLN  23 -14.502   7.923 -17.447
  208    HB3  GLN  23           3HB      GLN  23 -15.657   8.747 -18.486
  209    HG2  GLN  23           2HG      GLN  23 -16.425   6.380 -16.814
  210    HG3  GLN  23           3HG      GLN  23 -16.454   8.027 -16.187
  211   HE21  GLN  23          1HE2      GLN  23 -18.729   6.497 -16.277
  212   HE22  GLN  23          2HE2      GLN  23 -19.817   7.147 -17.450
  213    H    GLU  24           H        GLU  24 -13.089   8.232 -18.995
  214    HA   GLU  24           HA       GLU  24 -13.173   9.314 -21.631
  215    HB2  GLU  24           2HB      GLU  24 -12.159  10.399 -19.564
  216    HB3  GLU  24           3HB      GLU  24 -10.791   9.317 -19.782
  217    HG2  GLU  24           2HG      GLU  24 -10.456  11.587 -20.719
  218    HG3  GLU  24           3HG      GLU  24 -10.261  10.285 -21.891
  219    H    GLN  25           H        GLN  25 -11.975   8.816 -23.423
  220    HA   GLN  25           HA       GLN  25 -11.199   6.145 -23.805
  221    HB2  GLN  25           2HB      GLN  25 -11.009   8.659 -25.375
  222    HB3  GLN  25           3HB      GLN  25  -9.958   7.335 -25.858
  223    HG2  GLN  25           2HG      GLN  25 -12.021   7.314 -27.126
  224    HG3  GLN  25           3HG      GLN  25 -11.893   5.878 -26.111
  225   HE21  GLN  25          1HE2      GLN  25 -13.368   5.532 -24.520
  226   HE22  GLN  25          2HE2      GLN  25 -14.757   6.527 -24.266
  227    HA   PRO  26           HA       PRO  26  -7.021   5.893 -22.495
  228    HB2  PRO  26           2HB      PRO  26  -5.882   4.385 -24.445
  229    HB3  PRO  26           3HB      PRO  26  -7.011   3.725 -23.255
  230    HG2  PRO  26           2HG      PRO  26  -7.519   4.574 -26.080
  231    HG3  PRO  26           3HG      PRO  26  -8.105   3.137 -25.221
  232    HD2  PRO  26           2HD      PRO  26  -9.640   5.336 -25.598
  233    HD3  PRO  26           3HD      PRO  26  -9.789   4.302 -24.162
  Start of MODEL   15
    1    H1   VAL   1           H        VAL   1   2.789   0.649  -0.253
    2    HA   VAL   1           HA       VAL   1   2.444   1.057  -3.021
    3    HB   VAL   1           HB       VAL   1   4.574   1.481  -1.859
    4   HG11  VAL   1          1HG1      VAL   1   4.970  -1.503  -1.830
    5   HG12  VAL   1          2HG1      VAL   1   6.013  -0.263  -1.132
    6   HG13  VAL   1          3HG1      VAL   1   4.428  -0.583  -0.427
    7   HG21  VAL   1          3HG2      VAL   1   4.301   0.858  -4.377
    8   HG22  VAL   1          1HG2      VAL   1   5.913   0.978  -3.671
    9   HG23  VAL   1          2HG2      VAL   1   5.173  -0.604  -3.915
   10    H    SER   2           H        SER   2   2.344  -1.793  -1.035
   11    HA   SER   2           HA       SER   2   2.627  -3.639  -3.228
   12    HB2  SER   2           2HB      SER   2   1.738  -4.087  -0.369
   13    HB3  SER   2           3HB      SER   2   2.081  -5.363  -1.536
   14    HG   SER   2           HG       SER   2   4.228  -4.275  -1.689
   15    H    VAL   3           H        VAL   3   0.080  -1.855  -1.800
   16    HA   VAL   3           HA       VAL   3  -2.037  -3.627  -2.652
   17    HB   VAL   3           HB       VAL   3  -2.284  -0.765  -1.725
   18   HG11  VAL   3          1HG1      VAL   3  -4.270  -1.583  -2.826
   19   HG12  VAL   3          2HG1      VAL   3  -4.254  -3.046  -1.840
   20   HG13  VAL   3          3HG1      VAL   3  -4.564  -1.480  -1.090
   21   HG21  VAL   3          3HG2      VAL   3  -2.855  -1.848   0.492
   22   HG22  VAL   3          1HG2      VAL   3  -2.148  -3.328  -0.156
   23   HG23  VAL   3          2HG2      VAL   3  -1.154  -1.883   0.026
   24    H    ASP   4           H        ASP   4  -0.235  -1.012  -3.980
   25    HA   ASP   4           HA       ASP   4  -2.059   0.029  -5.827
   26    HB2  ASP   4           2HB      ASP   4   0.719   0.292  -5.267
   27    HB3  ASP   4           3HB      ASP   4   0.546   0.002  -6.996
   28    HA   PRO   5           HA       PRO   5  -0.338  -3.246  -8.957
   29    HB2  PRO   5           2HB      PRO   5   1.002  -5.354  -7.893
   30    HB3  PRO   5           3HB      PRO   5   1.804  -3.862  -8.400
   31    HG2  PRO   5           2HG      PRO   5   0.981  -4.733  -5.657
   32    HG3  PRO   5           3HG      PRO   5   2.486  -3.955  -6.179
   33    HD2  PRO   5           2HD      PRO   5   0.473  -2.585  -4.994
   34    HD3  PRO   5           3HD      PRO   5   1.537  -1.855  -6.214
   35    H    PHE   6           H        PHE   6  -1.399  -4.289  -5.771
   36    HA   PHE   6           HA       PHE   6  -2.564  -6.735  -6.457
   37    HB2  PHE   6           2HB      PHE   6  -2.180  -5.749  -4.127
   38    HB3  PHE   6           3HB      PHE   6  -3.686  -4.870  -4.371
   39    HD1  PHE   6           HD1      PHE   6  -2.212  -8.256  -4.173
   40    HD2  PHE   6           HD2      PHE   6  -5.763  -5.912  -4.046
   41    HE1  PHE   6           HE1      PHE   6  -3.475 -10.217  -3.391
   42    HE2  PHE   6           HE2      PHE   6  -7.031  -7.870  -3.264
   43    HZ   PHE   6           HZ       PHE   6  -5.888 -10.026  -2.934
   44    H    TYR   7           H        TYR   7  -4.219  -3.606  -6.007
   45    HA   TYR   7           HA       TYR   7  -6.651  -4.520  -7.162
   46    HB2  TYR   7           2HB      TYR   7  -7.500  -2.485  -6.579
   47    HB3  TYR   7           3HB      TYR   7  -6.057  -2.446  -5.573
   48    HD1  TYR   7           HD2      TYR   7  -4.167  -1.021  -6.160
   49    HD2  TYR   7           HD1      TYR   7  -7.691  -1.081  -8.545
   50    HE1  TYR   7           HE2      TYR   7  -3.446   1.053  -7.268
   51    HE2  TYR   7           HE1      TYR   7  -6.978   0.992  -9.660
   52    HH   TYR   7           HH       TYR   7  -5.539   2.822  -9.399
   53    H    GLU   8           H        GLU   8  -3.717  -3.330  -8.468
   54    HA   GLU   8           HA       GLU   8  -4.780  -2.304 -10.917
   55    HB2  GLU   8           2HB      GLU   8  -2.115  -2.749  -9.746
   56    HB3  GLU   8           3HB      GLU   8  -2.181  -2.893 -11.497
   57    HG2  GLU   8           2HG      GLU   8  -3.213  -0.521  -9.964
   58    HG3  GLU   8           3HG      GLU   8  -1.598  -0.625 -10.663
   59    H    MET   9           H        MET   9  -3.333  -5.371  -9.908
   60    HA   MET   9           HA       MET   9  -3.550  -6.520 -12.542
   61    HB2  MET   9           2HB      MET   9  -2.667  -8.532 -11.547
   62    HB3  MET   9           3HB      MET   9  -1.752  -7.155 -10.946
   63    HG2  MET   9           2HG      MET   9  -3.072  -7.203  -8.877
   64    HG3  MET   9           3HG      MET   9  -3.936  -8.615  -9.480
   65    HE1  MET   9           3HE      MET   9  -0.153  -7.466  -9.454
   66    HE2  MET   9           1HE      MET   9  -0.737  -7.238  -7.805
   67    HE3  MET   9           2HE      MET   9   0.468  -8.479  -8.150
   68    H    LEU  10           H        LEU  10  -5.316  -6.700  -9.495
   69    HA   LEU  10           HA       LEU  10  -7.112  -8.743 -10.389
   70    HB2  LEU  10           2HB      LEU  10  -6.719  -7.118  -7.982
   71    HB3  LEU  10           3HB      LEU  10  -8.401  -7.524  -8.317
   72    HG   LEU  10           HG       LEU  10  -7.469  -9.130  -6.784
   73   HD11  LEU  10          1HD1      LEU  10  -8.782  -9.747  -9.113
   74   HD12  LEU  10          2HD1      LEU  10  -8.532 -10.836  -7.750
   75   HD13  LEU  10          3HD1      LEU  10  -7.422 -10.869  -9.119
   76   HD21  LEU  10          3HD2      LEU  10  -5.097  -8.784  -7.494
   77   HD22  LEU  10          1HD2      LEU  10  -5.428  -9.806  -8.893
   78   HD23  LEU  10          2HD2      LEU  10  -5.555 -10.473  -7.265
   79    H    ALA  11           H        ALA  11  -8.961  -8.548 -11.487
   80    HA   ALA  11           HA       ALA  11  -9.726  -5.961 -12.504
   81    HB1  ALA  11           1HB      ALA  11 -10.010  -8.642 -13.345
   82    HB2  ALA  11           2HB      ALA  11 -11.633  -7.972 -13.175
   83    HB3  ALA  11           3HB      ALA  11 -10.452  -7.173 -14.214
   84    H    ALA  12           H        ALA  12 -11.072  -8.368 -10.296
   85    HA   ALA  12           HA       ALA  12 -13.550  -7.019  -9.900
   86    HB1  ALA  12           1HB      ALA  12 -13.691  -9.260  -9.384
   87    HB2  ALA  12           2HB      ALA  12 -12.137  -9.275  -8.548
   88    HB3  ALA  12           3HB      ALA  12 -13.544  -8.537  -7.781
   89    H    ARG  13           H        ARG  13 -10.379  -6.585  -8.663
   90    HA   ARG  13           HA       ARG  13 -11.088  -5.351  -6.190
   91    HB2  ARG  13           2HB      ARG  13  -8.586  -5.602  -7.806
   92    HB3  ARG  13           3HB      ARG  13  -8.647  -4.408  -6.516
   93    HG2  ARG  13           2HG      ARG  13  -9.502  -7.180  -5.889
   94    HG3  ARG  13           3HG      ARG  13  -7.780  -6.864  -6.107
   95    HD2  ARG  13           2HD      ARG  13  -8.545  -6.677  -3.750
   96    HD3  ARG  13           3HD      ARG  13  -7.802  -5.207  -4.376
   97    HE   ARG  13           HE       ARG  13 -10.651  -5.612  -3.817
   98   HH11  ARG  13          1HH1      ARG  13  -8.027  -3.525  -4.757
   99   HH12  ARG  13          2HH1      ARG  13  -8.934  -2.066  -4.533
  100   HH21  ARG  13          1HH2      ARG  13 -11.856  -3.698  -3.519
  101   HH22  ARG  13          2HH2      ARG  13 -11.112  -2.166  -3.828
  102    H    LYS  14           H        LYS  14 -10.350  -4.174  -9.435
  103    HA   LYS  14           HA       LYS  14 -10.317  -1.422  -8.807
  104    HB2  LYS  14           2HB      LYS  14 -10.972  -2.807 -11.414
  105    HB3  LYS  14           3HB      LYS  14 -10.656  -1.086 -11.241
  106    HG2  LYS  14           2HG      LYS  14  -8.391  -1.521 -10.553
  107    HG3  LYS  14           3HG      LYS  14  -8.690  -3.261 -10.555
  108    HD2  LYS  14           2HD      LYS  14  -7.563  -2.787 -12.580
  109    HD3  LYS  14           3HD      LYS  14  -9.257  -3.027 -13.011
  110    HE2  LYS  14           2HE      LYS  14  -8.795  -1.118 -14.189
  111    HE3  LYS  14           3HE      LYS  14  -9.376  -0.425 -12.676
  112    HZ1  LYS  14           3HZ      LYS  14  -7.355   0.660 -13.393
  113    HZ2  LYS  14           1HZ      LYS  14  -6.531  -0.817 -13.432
  114    HZ3  LYS  14           2HZ      LYS  14  -7.070  -0.188 -11.958
  115    H    LYS  15           H        LYS  15 -11.997  -0.550  -7.743
  116    HA   LYS  15           HA       LYS  15 -14.722  -1.299  -8.338
  117    HB2  LYS  15           2HB      LYS  15 -13.662   0.870  -6.517
  118    HB3  LYS  15           3HB      LYS  15 -15.321   0.287  -6.571
  119    HG2  LYS  15           2HG      LYS  15 -14.862  -1.426  -5.231
  120    HG3  LYS  15           3HG      LYS  15 -13.419  -1.861  -6.149
  121    HD2  LYS  15           2HD      LYS  15 -13.571   0.363  -4.114
  122    HD3  LYS  15           3HD      LYS  15 -12.926  -1.251  -3.802
  123    HE2  LYS  15           2HE      LYS  15 -11.310  -0.834  -5.697
  124    HE3  LYS  15           3HE      LYS  15 -11.852   0.843  -5.681
  125    HZ1  LYS  15           3HZ      LYS  15  -9.786   0.106  -4.303
  126    HZ2  LYS  15           1HZ      LYS  15 -10.946  -0.374  -3.170
  127    HZ3  LYS  15           2HZ      LYS  15 -10.871   1.239  -3.671
  128    H    ARG  16           H        ARG  16 -13.435   1.988  -7.976
  129    HA   ARG  16           HA       ARG  16 -15.237   2.947 -10.016
  130    HB2  ARG  16           2HB      ARG  16 -13.106   4.449  -8.486
  131    HB3  ARG  16           3HB      ARG  16 -14.407   5.159  -9.433
  132    HG2  ARG  16           2HG      ARG  16 -14.828   3.440  -6.999
  133    HG3  ARG  16           3HG      ARG  16 -14.792   5.204  -6.985
  134    HD2  ARG  16           2HD      ARG  16 -16.610   4.959  -8.848
  135    HD3  ARG  16           3HD      ARG  16 -16.821   3.352  -8.154
  136    HE   ARG  16           HE       ARG  16 -17.822   4.307  -6.329
  137   HH11  ARG  16          1HH1      ARG  16 -16.173   6.770  -8.154
  138   HH12  ARG  16          2HH1      ARG  16 -16.835   8.080  -7.234
  139   HH21  ARG  16          1HH2      ARG  16 -18.701   6.023  -5.109
  140   HH22  ARG  16          2HH2      ARG  16 -18.273   7.654  -5.502
  141    H    ILE  17           H        ILE  17 -11.762   2.477  -9.636
  142    HA   ILE  17           HA       ILE  17 -10.873   3.773 -11.935
  143    HB   ILE  17           HB       ILE  17  -8.992   2.016 -11.864
  144   HG12  ILE  17          2HG1      ILE  17 -10.775   0.652 -10.286
  145   HG13  ILE  17          3HG1      ILE  17  -9.043   0.346 -10.350
  146   HG21  ILE  17          1HG2      ILE  17  -9.612   3.834  -9.545
  147   HG22  ILE  17          2HG2      ILE  17  -8.050   3.054  -9.789
  148   HG23  ILE  17          3HG2      ILE  17  -8.656   4.204 -10.980
  149   HD11  ILE  17          3HD1      ILE  17  -8.658   1.635  -8.403
  150   HD12  ILE  17          1HD1      ILE  17 -10.304   2.268  -8.419
  151   HD13  ILE  17          2HD1      ILE  17 -10.017   0.565  -8.059
  152    H    SER  18           H        SER  18 -12.231   0.559 -11.507
  153    HA   SER  18           HA       SER  18 -11.582  -0.539 -13.992
  154    HB2  SER  18           2HB      SER  18 -12.444  -2.121 -12.547
  155    HB3  SER  18           3HB      SER  18 -13.717  -1.050 -11.963
  156    HG   SER  18           HG       SER  18 -14.967  -1.618 -13.592
  157    H    VAL  19           H        VAL  19 -14.738   0.837 -13.048
  158    HA   VAL  19           HA       VAL  19 -15.801   0.933 -15.634
  159    HB   VAL  19           HB       VAL  19 -17.245   1.121 -13.706
  160   HG11  VAL  19          1HG1      VAL  19 -16.017   3.830 -13.206
  161   HG12  VAL  19          2HG1      VAL  19 -17.275   3.039 -12.253
  162   HG13  VAL  19          3HG1      VAL  19 -15.641   2.374 -12.284
  163   HG21  VAL  19          3HG2      VAL  19 -17.433   2.665 -15.996
  164   HG22  VAL  19          1HG2      VAL  19 -18.735   2.314 -14.858
  165   HG23  VAL  19          2HG2      VAL  19 -17.792   3.795 -14.691
  166    H    LYS  20           H        LYS  20 -13.952   3.316 -13.799
  167    HA   LYS  20           HA       LYS  20 -14.250   5.480 -15.566
  168    HB2  LYS  20           2HB      LYS  20 -12.192   4.748 -13.506
  169    HB3  LYS  20           3HB      LYS  20 -11.967   6.165 -14.523
  170    HG2  LYS  20           2HG      LYS  20 -13.920   7.198 -13.669
  171    HG3  LYS  20           3HG      LYS  20 -14.433   5.713 -12.865
  172    HD2  LYS  20           2HD      LYS  20 -12.866   5.928 -11.182
  173    HD3  LYS  20           3HD      LYS  20 -11.799   6.936 -12.163
  174    HE2  LYS  20           2HE      LYS  20 -13.171   8.834 -11.881
  175    HE3  LYS  20           3HE      LYS  20 -14.510   7.870 -11.259
  176    HZ1  LYS  20           3HZ      LYS  20 -12.260   7.461  -9.630
  177    HZ2  LYS  20           1HZ      LYS  20 -13.744   8.164  -9.220
  178    HZ3  LYS  20           2HZ      LYS  20 -12.486   9.127  -9.812
  179    H    LYS  21           H        LYS  21 -11.909   2.839 -15.460
  180    HA   LYS  21           HA       LYS  21 -10.176   3.789 -17.460
  181    HB2  LYS  21           2HB      LYS  21 -10.782   1.075 -16.338
  182    HB3  LYS  21           3HB      LYS  21  -9.726   1.231 -17.735
  183    HG2  LYS  21           2HG      LYS  21  -9.254   2.740 -15.182
  184    HG3  LYS  21           3HG      LYS  21  -8.609   1.122 -15.470
  185    HD2  LYS  21           2HD      LYS  21  -8.144   3.138 -17.587
  186    HD3  LYS  21           3HD      LYS  21  -7.268   3.363 -16.071
  187    HE2  LYS  21           2HE      LYS  21  -7.309   0.710 -17.469
  188    HE3  LYS  21           3HE      LYS  21  -6.166   1.968 -17.935
  189    HZ1  LYS  21           3HZ      LYS  21  -5.471   2.025 -15.551
  190    HZ2  LYS  21           1HZ      LYS  21  -5.096   0.588 -16.360
  191    HZ3  LYS  21           2HZ      LYS  21  -6.408   0.641 -15.295
  192    H    LYS  22           H        LYS  22 -13.031   1.695 -17.635
  193    HA   LYS  22           HA       LYS  22 -12.897   1.100 -20.369
  194    HB2  LYS  22           2HB      LYS  22 -14.366  -0.145 -18.922
  195    HB3  LYS  22           3HB      LYS  22 -15.268   1.307 -18.509
  196    HG2  LYS  22           2HG      LYS  22 -16.220   1.442 -20.672
  197    HG3  LYS  22           3HG      LYS  22 -15.120   0.214 -21.304
  198    HD2  LYS  22           2HD      LYS  22 -17.003  -1.052 -20.984
  199    HD3  LYS  22           3HD      LYS  22 -16.220  -1.259 -19.416
  200    HE2  LYS  22           2HE      LYS  22 -17.605   0.516 -18.480
  201    HE3  LYS  22           3HE      LYS  22 -18.366   0.764 -20.051
  202    HZ1  LYS  22           3HZ      LYS  22 -18.666  -1.911 -19.532
  203    HZ2  LYS  22           1HZ      LYS  22 -19.863  -0.722 -19.407
  204    HZ3  LYS  22           2HZ      LYS  22 -18.966  -1.165 -18.044
  205    H    GLN  23           H        GLN  23 -13.712   4.005 -18.746
  206    HA   GLN  23           HA       GLN  23 -15.288   5.121 -20.882
  207    HB2  GLN  23           2HB      GLN  23 -14.008   6.496 -18.514
  208    HB3  GLN  23           3HB      GLN  23 -15.235   7.182 -19.571
  209    HG2  GLN  23           2HG      GLN  23 -15.925   4.628 -18.276
  210    HG3  GLN  23           3HG      GLN  23 -15.770   6.026 -17.213
  211   HE21  GLN  23          1HE2      GLN  23 -18.030   5.792 -16.805
  212   HE22  GLN  23          2HE2      GLN  23 -19.187   6.410 -17.929
  213    H    GLU  24           H        GLU  24 -14.679   6.895 -22.207
  214    HA   GLU  24           HA       GLU  24 -12.009   6.691 -23.211
  215    HB2  GLU  24           2HB      GLU  24 -14.181   7.207 -24.511
  216    HB3  GLU  24           3HB      GLU  24 -13.954   8.859 -23.956
  217    HG2  GLU  24           2HG      GLU  24 -13.071   8.455 -26.220
  218    HG3  GLU  24           3HG      GLU  24 -11.846   9.014 -25.082
  219    H    GLN  25           H        GLN  25 -10.357   7.549 -22.132
  220    HA   GLN  25           HA       GLN  25 -10.652   9.818 -20.405
  221    HB2  GLN  25           2HB      GLN  25  -8.448   7.976 -21.172
  222    HB3  GLN  25           3HB      GLN  25  -7.996   9.554 -20.541
  223    HG2  GLN  25           2HG      GLN  25  -9.223   9.139 -18.508
  224    HG3  GLN  25           3HG      GLN  25  -9.813   7.604 -19.144
  225   HE21  GLN  25          1HE2      GLN  25  -7.919   8.627 -16.891
  226   HE22  GLN  25          2HE2      GLN  25  -6.604   7.510 -16.973
  227    HA   PRO  26           HA       PRO  26  -9.643  13.139 -23.085
  228    HB2  PRO  26           2HB      PRO  26  -8.039  14.683 -21.532
  229    HB3  PRO  26           3HB      PRO  26  -9.779  14.530 -21.262
  230    HG2  PRO  26           2HG      PRO  26  -7.517  13.145 -19.873
  231    HG3  PRO  26           3HG      PRO  26  -8.985  13.861 -19.181
  232    HD2  PRO  26           2HD      PRO  26  -8.718  11.198 -19.596
  233    HD3  PRO  26           3HD      PRO  26 -10.280  12.032 -19.718
  Start of MODEL   16
    1    H1   VAL   1           H        VAL   1   1.769   0.575   0.800
    2    HA   VAL   1           HA       VAL   1   1.823   1.175  -1.983
    3    HB   VAL   1           HB       VAL   1   3.751   1.607  -0.517
    4   HG11  VAL   1          1HG1      VAL   1   4.668  -1.185  -0.540
    5   HG12  VAL   1          2HG1      VAL   1   4.805   0.047   0.716
    6   HG13  VAL   1          3HG1      VAL   1   3.300  -0.853   0.523
    7   HG21  VAL   1          3HG2      VAL   1   4.787  -0.392  -2.455
    8   HG22  VAL   1          1HG2      VAL   1   3.830   0.951  -3.081
    9   HG23  VAL   1          2HG2      VAL   1   5.299   1.270  -2.159
   10    H    SER   2           H        SER   2   1.562  -1.756  -0.119
   11    HA   SER   2           HA       SER   2   2.180  -3.502  -2.326
   12    HB2  SER   2           2HB      SER   2   2.660  -4.196  -0.020
   13    HB3  SER   2           3HB      SER   2   0.943  -4.110   0.372
   14    HG   SER   2           HG       SER   2   2.004  -6.233  -0.307
   15    H    VAL   3           H        VAL   3  -0.588  -1.860  -1.161
   16    HA   VAL   3           HA       VAL   3  -2.517  -3.662  -2.332
   17    HB   VAL   3           HB       VAL   3  -4.188  -1.988  -1.705
   18   HG11  VAL   3          1HG1      VAL   3  -2.576  -1.973   0.743
   19   HG12  VAL   3          2HG1      VAL   3  -4.178  -2.648   0.441
   20   HG13  VAL   3          3HG1      VAL   3  -2.736  -3.555  -0.019
   21   HG21  VAL   3          3HG2      VAL   3  -1.769  -0.307  -1.317
   22   HG22  VAL   3          1HG2      VAL   3  -3.350   0.118  -1.973
   23   HG23  VAL   3          2HG2      VAL   3  -3.135  -0.058  -0.231
   24    H    ASP   4           H        ASP   4  -0.663  -0.941  -3.333
   25    HA   ASP   4           HA       ASP   4  -2.282   0.113  -5.355
   26    HB2  ASP   4           2HB      ASP   4   0.385   0.455  -4.439
   27    HB3  ASP   4           3HB      ASP   4   0.454   0.205  -6.181
   28    HA   PRO   5           HA       PRO   5  -0.072  -2.980  -8.360
   29    HB2  PRO   5           2HB      PRO   5   1.206  -5.083  -7.212
   30    HB3  PRO   5           3HB      PRO   5   2.008  -3.548  -7.563
   31    HG2  PRO   5           2HG      PRO   5   0.887  -4.552  -4.975
   32    HG3  PRO   5           3HG      PRO   5   2.415  -3.706  -5.279
   33    HD2  PRO   5           2HD      PRO   5   0.223  -2.449  -4.306
   34    HD3  PRO   5           3HD      PRO   5   1.400  -1.638  -5.359
   35    H    PHE   6           H        PHE   6  -1.409  -4.249  -5.352
   36    HA   PHE   6           HA       PHE   6  -2.429  -6.666  -6.328
   37    HB2  PHE   6           2HB      PHE   6  -2.267  -5.800  -3.896
   38    HB3  PHE   6           3HB      PHE   6  -3.829  -5.052  -4.212
   39    HD1  PHE   6           HD1      PHE   6  -5.803  -6.439  -4.650
   40    HD2  PHE   6           HD2      PHE   6  -2.053  -8.154  -3.594
   41    HE1  PHE   6           HE1      PHE   6  -6.929  -8.560  -4.111
   42    HE2  PHE   6           HE2      PHE   6  -3.173 -10.278  -3.054
   43    HZ   PHE   6           HZ       PHE   6  -5.613 -10.483  -3.312
   44    H    TYR   7           H        TYR   7  -4.103  -3.549  -5.888
   45    HA   TYR   7           HA       TYR   7  -6.446  -4.446  -7.271
   46    HB2  TYR   7           2HB      TYR   7  -7.400  -2.532  -6.524
   47    HB3  TYR   7           3HB      TYR   7  -5.979  -2.455  -5.488
   48    HD1  TYR   7           HD1      TYR   7  -4.161  -0.897  -5.981
   49    HD2  TYR   7           HD2      TYR   7  -7.664  -1.024  -8.393
   50    HE1  TYR   7           HE1      TYR   7  -3.556   1.275  -6.963
   51    HE2  TYR   7           HE2      TYR   7  -7.067   1.147  -9.384
   52    HH   TYR   7           HH       TYR   7  -5.588   2.796  -9.452
   53    H    GLU   8           H        GLU   8  -3.428  -3.231  -8.242
   54    HA   GLU   8           HA       GLU   8  -4.324  -1.998 -10.688
   55    HB2  GLU   8           2HB      GLU   8  -1.722  -2.470  -9.347
   56    HB3  GLU   8           3HB      GLU   8  -1.686  -2.340 -11.100
   57    HG2  GLU   8           2HG      GLU   8  -2.740  -0.160 -10.986
   58    HG3  GLU   8           3HG      GLU   8  -2.858  -0.291  -9.232
   59    H    MET   9           H        MET   9  -2.859  -5.069  -9.735
   60    HA   MET   9           HA       MET   9  -2.724  -6.036 -12.446
   61    HB2  MET   9           2HB      MET   9  -1.981  -8.144 -11.421
   62    HB3  MET   9           3HB      MET   9  -1.065  -6.769 -10.820
   63    HG2  MET   9           2HG      MET   9  -2.892  -6.826  -8.921
   64    HG3  MET   9           3HG      MET   9  -3.015  -8.511  -9.421
   65    HE1  MET   9           3HE      MET   9  -0.357 -10.342  -8.184
   66    HE2  MET   9           1HE      MET   9  -1.494  -9.813  -6.944
   67    HE3  MET   9           2HE      MET   9  -2.059 -10.115  -8.586
   68    H    LEU  10           H        LEU  10  -4.788  -6.557  -9.624
   69    HA   LEU  10           HA       LEU  10  -6.412  -8.530 -10.933
   70    HB2  LEU  10           2HB      LEU  10  -6.321  -7.210  -8.303
   71    HB3  LEU  10           3HB      LEU  10  -7.923  -7.706  -8.845
   72    HG   LEU  10           HG       LEU  10  -6.991  -9.422  -7.445
   73   HD11  LEU  10          1HD1      LEU  10  -8.013  -9.836  -9.950
   74   HD12  LEU  10          2HD1      LEU  10  -7.758 -11.081  -8.727
   75   HD13  LEU  10          3HD1      LEU  10  -6.540 -10.806  -9.973
   76   HD21  LEU  10          3HD2      LEU  10  -4.610  -8.787  -7.824
   77   HD22  LEU  10          1HD2      LEU  10  -4.690  -9.610  -9.382
   78   HD23  LEU  10          2HD2      LEU  10  -4.914 -10.523  -7.890
   79    H    ALA  11           H        ALA  11  -8.164  -8.228 -12.156
   80    HA   ALA  11           HA       ALA  11  -8.947  -5.545 -12.861
   81    HB1  ALA  11           1HB      ALA  11  -9.004  -6.838 -14.738
   82    HB2  ALA  11           2HB      ALA  11  -9.550  -8.273 -13.869
   83    HB3  ALA  11           3HB      ALA  11 -10.689  -6.979 -14.237
   84    H    ALA  12           H        ALA  12 -10.367  -8.277 -11.130
   85    HA   ALA  12           HA       ALA  12 -12.937  -7.130 -10.789
   86    HB1  ALA  12           1HB      ALA  12 -12.838  -8.843  -8.744
   87    HB2  ALA  12           2HB      ALA  12 -13.076  -9.361 -10.413
   88    HB3  ALA  12           3HB      ALA  12 -11.474  -9.451  -9.682
   89    H    ARG  13           H        ARG  13  -9.916  -6.596  -9.255
   90    HA   ARG  13           HA       ARG  13 -10.899  -5.664  -6.746
   91    HB2  ARG  13           2HB      ARG  13  -8.324  -5.927  -8.073
   92    HB3  ARG  13           3HB      ARG  13  -8.443  -4.427  -7.163
   93    HG2  ARG  13           2HG      ARG  13  -8.913  -7.196  -6.076
   94    HG3  ARG  13           3HG      ARG  13  -7.479  -6.201  -5.814
   95    HD2  ARG  13           2HD      ARG  13  -9.128  -4.460  -4.874
   96    HD3  ARG  13           3HD      ARG  13 -10.267  -5.802  -4.785
   97    HE   ARG  13           HE       ARG  13  -9.067  -6.677  -3.027
   98   HH11  ARG  13          1HH1      ARG  13  -7.266  -4.100  -4.522
   99   HH12  ARG  13          2HH1      ARG  13  -6.076  -4.026  -3.264
  100   HH21  ARG  13          1HH2      ARG  13  -7.506  -6.590  -1.365
  101   HH22  ARG  13          2HH2      ARG  13  -6.213  -5.444  -1.470
  102    H    LYS  14           H        LYS  14  -9.974  -4.095  -9.778
  103    HA   LYS  14           HA       LYS  14 -10.196  -1.435  -8.935
  104    HB2  LYS  14           2HB      LYS  14 -10.711  -2.617 -11.670
  105    HB3  LYS  14           3HB      LYS  14 -10.493  -0.904 -11.336
  106    HG2  LYS  14           2HG      LYS  14  -8.225  -1.250 -10.674
  107    HG3  LYS  14           3HG      LYS  14  -8.420  -3.003 -10.747
  108    HD2  LYS  14           2HD      LYS  14  -8.848  -2.823 -13.172
  109    HD3  LYS  14           3HD      LYS  14  -8.564  -1.083 -13.072
  110    HE2  LYS  14           2HE      LYS  14  -6.286  -1.593 -12.175
  111    HE3  LYS  14           3HE      LYS  14  -6.594  -3.295 -12.514
  112    HZ1  LYS  14           3HZ      LYS  14  -7.171  -1.743 -14.799
  113    HZ2  LYS  14           1HZ      LYS  14  -6.028  -2.977 -14.616
  114    HZ3  LYS  14           2HZ      LYS  14  -5.611  -1.378 -14.257
  115    H    LYS  15           H        LYS  15 -11.973  -0.915  -7.753
  116    HA   LYS  15           HA       LYS  15 -14.623  -1.689  -8.595
  117    HB2  LYS  15           2HB      LYS  15 -13.633   0.068  -6.346
  118    HB3  LYS  15           3HB      LYS  15 -15.333  -0.283  -6.632
  119    HG2  LYS  15           2HG      LYS  15 -13.193  -2.306  -6.002
  120    HG3  LYS  15           3HG      LYS  15 -14.422  -1.705  -4.887
  121    HD2  LYS  15           2HD      LYS  15 -14.922  -3.258  -7.427
  122    HD3  LYS  15           3HD      LYS  15 -15.057  -3.880  -5.780
  123    HE2  LYS  15           2HE      LYS  15 -16.726  -1.697  -7.025
  124    HE3  LYS  15           3HE      LYS  15 -17.253  -3.337  -6.651
  125    HZ1  LYS  15           3HZ      LYS  15 -16.673  -1.115  -4.808
  126    HZ2  LYS  15           1HZ      LYS  15 -16.553  -2.714  -4.266
  127    HZ3  LYS  15           2HZ      LYS  15 -18.024  -2.132  -4.864
  128    H    ARG  16           H        ARG  16 -13.671   1.556  -7.560
  129    HA   ARG  16           HA       ARG  16 -15.379   2.724  -9.571
  130    HB2  ARG  16           2HB      ARG  16 -13.764   3.782  -7.279
  131    HB3  ARG  16           3HB      ARG  16 -14.358   4.888  -8.511
  132    HG2  ARG  16           2HG      ARG  16 -16.182   2.988  -7.077
  133    HG3  ARG  16           3HG      ARG  16 -15.777   4.576  -6.423
  134    HD2  ARG  16           2HD      ARG  16 -16.517   5.499  -8.687
  135    HD3  ARG  16           3HD      ARG  16 -17.230   3.911  -8.966
  136    HE   ARG  16           HE       ARG  16 -18.930   4.486  -7.558
  137   HH11  ARG  16          1HH1      ARG  16 -16.222   6.589  -6.955
  138   HH12  ARG  16          2HH1      ARG  16 -17.085   7.596  -5.840
  139   HH21  ARG  16          1HH2      ARG  16 -20.077   5.804  -6.092
  140   HH22  ARG  16          2HH2      ARG  16 -19.278   7.148  -5.349
  141    H    ILE  17           H        ILE  17 -12.045   1.977  -9.229
  142    HA   ILE  17           HA       ILE  17 -11.028   3.926 -11.052
  143    HB   ILE  17           HB       ILE  17  -9.042   2.283 -11.142
  144   HG12  ILE  17          2HG1      ILE  17 -10.818   0.551 -10.007
  145   HG13  ILE  17          3HG1      ILE  17  -9.068   0.385  -9.914
  146   HG21  ILE  17          1HG2      ILE  17  -8.892   4.285  -9.872
  147   HG22  ILE  17          2HG2      ILE  17  -9.951   3.644  -8.617
  148   HG23  ILE  17          3HG2      ILE  17  -8.333   2.976  -8.832
  149   HD11  ILE  17          3HD1      ILE  17 -10.334   0.142  -7.754
  150   HD12  ILE  17          1HD1      ILE  17  -9.002   1.297  -7.745
  151   HD13  ILE  17          2HD1      ILE  17 -10.666   1.871  -7.855
  152    H    SER  18           H        SER  18 -12.185   0.618 -11.329
  153    HA   SER  18           HA       SER  18 -11.282   0.044 -13.911
  154    HB2  SER  18           2HB      SER  18 -12.124  -1.816 -12.804
  155    HB3  SER  18           3HB      SER  18 -13.547  -0.954 -12.221
  156    HG   SER  18           HG       SER  18 -13.143  -1.456 -14.970
  157    H    VAL  19           H        VAL  19 -14.502   1.215 -12.914
  158    HA   VAL  19           HA       VAL  19 -15.460   1.652 -15.525
  159    HB   VAL  19           HB       VAL  19 -16.933   1.488 -13.553
  160   HG11  VAL  19          1HG1      VAL  19 -17.082   3.109 -11.897
  161   HG12  VAL  19          2HG1      VAL  19 -15.343   2.990 -12.173
  162   HG13  VAL  19          3HG1      VAL  19 -16.259   4.325 -12.873
  163   HG21  VAL  19          3HG2      VAL  19 -17.079   3.795 -15.432
  164   HG22  VAL  19          1HG2      VAL  19 -18.106   2.367 -15.316
  165   HG23  VAL  19          2HG2      VAL  19 -18.275   3.673 -14.143
  166    H    LYS  20           H        LYS  20 -13.758   3.741 -13.250
  167    HA   LYS  20           HA       LYS  20 -14.026   6.117 -14.799
  168    HB2  LYS  20           2HB      LYS  20 -13.545   6.023 -12.330
  169    HB3  LYS  20           3HB      LYS  20 -11.912   5.505 -12.729
  170    HG2  LYS  20           2HG      LYS  20 -11.342   7.565 -13.632
  171    HG3  LYS  20           3HG      LYS  20 -13.027   8.039 -13.861
  172    HD2  LYS  20           2HD      LYS  20 -13.334   8.403 -11.540
  173    HD3  LYS  20           3HD      LYS  20 -11.811   7.604 -11.142
  174    HE2  LYS  20           2HE      LYS  20 -11.957  10.107 -12.805
  175    HE3  LYS  20           3HE      LYS  20 -11.820  10.138 -11.048
  176    HZ1  LYS  20           3HZ      LYS  20  -9.853   8.432 -11.791
  177    HZ2  LYS  20           1HZ      LYS  20  -9.638  10.068 -11.417
  178    HZ3  LYS  20           2HZ      LYS  20  -9.815   9.585 -13.029
  179    H    LYS  21           H        LYS  21 -12.048   3.357 -15.056
  180    HA   LYS  21           HA       LYS  21  -9.863   4.659 -16.421
  181    HB2  LYS  21           2HB      LYS  21  -9.517   2.621 -15.061
  182    HB3  LYS  21           3HB      LYS  21 -10.524   1.717 -16.184
  183    HG2  LYS  21           2HG      LYS  21  -8.303   3.155 -17.440
  184    HG3  LYS  21           3HG      LYS  21  -7.819   1.889 -16.308
  185    HD2  LYS  21           2HD      LYS  21  -8.625   0.225 -17.619
  186    HD3  LYS  21           3HD      LYS  21  -9.976   1.197 -18.207
  187    HE2  LYS  21           2HE      LYS  21  -8.573   2.340 -19.759
  188    HE3  LYS  21           3HE      LYS  21  -7.119   1.640 -19.050
  189    HZ1  LYS  21           3HZ      LYS  21  -8.168  -0.582 -19.717
  190    HZ2  LYS  21           1HZ      LYS  21  -7.481   0.370 -20.935
  191    HZ3  LYS  21           2HZ      LYS  21  -9.160   0.337 -20.735
  192    H    LYS  22           H        LYS  22 -12.545   2.513 -17.328
  193    HA   LYS  22           HA       LYS  22 -11.930   2.626 -20.123
  194    HB2  LYS  22           2HB      LYS  22 -14.087   1.454 -20.407
  195    HB3  LYS  22           3HB      LYS  22 -13.054   0.678 -19.213
  196    HG2  LYS  22           2HG      LYS  22 -14.914   0.651 -17.970
  197    HG3  LYS  22           3HG      LYS  22 -14.497   2.333 -17.632
  198    HD2  LYS  22           2HD      LYS  22 -15.880   2.931 -19.677
  199    HD3  LYS  22           3HD      LYS  22 -16.473   1.269 -19.638
  200    HE2  LYS  22           2HE      LYS  22 -16.585   2.867 -17.132
  201    HE3  LYS  22           3HE      LYS  22 -17.746   3.235 -18.406
  202    HZ1  LYS  22           3HZ      LYS  22 -17.576   0.923 -16.674
  203    HZ2  LYS  22           1HZ      LYS  22 -17.905   0.568 -18.295
  204    HZ3  LYS  22           2HZ      LYS  22 -18.921   1.611 -17.435
  205    H    GLN  23           H        GLN  23 -14.282   4.197 -17.998
  206    HA   GLN  23           HA       GLN  23 -15.697   5.562 -20.021
  207    HB2  GLN  23           2HB      GLN  23 -16.813   6.662 -18.311
  208    HB3  GLN  23           3HB      GLN  23 -16.288   5.184 -17.516
  209    HG2  GLN  23           2HG      GLN  23 -15.545   6.565 -15.929
  210    HG3  GLN  23           3HG      GLN  23 -14.181   6.808 -17.019
  211   HE21  GLN  23          1HE2      GLN  23 -17.051   8.176 -15.668
  212   HE22  GLN  23          2HE2      GLN  23 -16.824   9.780 -16.268
  213    H    GLU  24           H        GLU  24 -12.574   6.007 -18.790
  214    HA   GLU  24           HA       GLU  24 -12.410   8.845 -19.240
  215    HB2  GLU  24           2HB      GLU  24 -11.000   7.791 -17.549
  216    HB3  GLU  24           3HB      GLU  24 -10.250   6.782 -18.778
  217    HG2  GLU  24           2HG      GLU  24  -9.805   9.262 -19.785
  218    HG3  GLU  24           3HG      GLU  24  -9.733   9.569 -18.051
  219    H    GLN  25           H        GLN  25 -12.020   9.840 -21.103
  220    HA   GLN  25           HA       GLN  25 -11.830   8.433 -23.542
  221    HB2  GLN  25           2HB      GLN  25 -11.653  11.296 -22.725
  222    HB3  GLN  25           3HB      GLN  25 -11.101  10.853 -24.335
  223    HG2  GLN  25           2HG      GLN  25 -13.846  10.407 -23.187
  224    HG3  GLN  25           3HG      GLN  25 -13.392  11.579 -24.423
  225   HE21  GLN  25          1HE2      GLN  25 -14.189   8.310 -23.742
  226   HE22  GLN  25          2HE2      GLN  25 -14.172   7.734 -25.370
  227    HA   PRO  26           HA       PRO  26  -7.537   7.783 -24.156
  228    HB2  PRO  26           2HB      PRO  26  -7.230   8.351 -26.793
  229    HB3  PRO  26           3HB      PRO  26  -8.060   6.902 -26.212
  230    HG2  PRO  26           2HG      PRO  26  -9.215   9.492 -27.173
  231    HG3  PRO  26           3HG      PRO  26  -9.739   7.834 -27.524
  232    HD2  PRO  26           2HD      PRO  26 -10.978   9.396 -25.692
  233    HD3  PRO  26           3HD      PRO  26 -10.865   7.632 -25.523
  Start of MODEL   17
    1    H1   VAL   1           H        VAL   1   2.047   0.558   0.724
    2    HA   VAL   1           HA       VAL   1   2.054   0.966  -2.050
    3    HB   VAL   1           HB       VAL   1   4.031   1.336  -0.633
    4   HG11  VAL   1          1HG1      VAL   1   4.460  -1.636  -0.614
    5   HG12  VAL   1          2HG1      VAL   1   5.296  -0.394   0.320
    6   HG13  VAL   1          3HG1      VAL   1   3.622  -0.807   0.698
    7   HG21  VAL   1          3HG2      VAL   1   3.954   0.235  -3.209
    8   HG22  VAL   1          1HG2      VAL   1   5.255   1.177  -2.481
    9   HG23  VAL   1          2HG2      VAL   1   5.274  -0.584  -2.374
   10    H    SER   2           H        SER   2   1.683  -1.917  -0.140
   11    HA   SER   2           HA       SER   2   2.192  -3.727  -2.321
   12    HB2  SER   2           2HB      SER   2   2.705  -4.650  -0.222
   13    HB3  SER   2           3HB      SER   2   1.212  -4.058   0.505
   14    HG   SER   2           HG       SER   2   0.593  -6.042   0.115
   15    H    VAL   3           H        VAL   3  -0.481  -1.934  -1.158
   16    HA   VAL   3           HA       VAL   3  -2.508  -3.658  -2.279
   17    HB   VAL   3           HB       VAL   3  -4.072  -1.825  -1.708
   18   HG11  VAL   3          1HG1      VAL   3  -2.172  -2.674   0.474
   19   HG12  VAL   3          2HG1      VAL   3  -3.760  -1.955   0.747
   20   HG13  VAL   3          3HG1      VAL   3  -3.625  -3.521  -0.055
   21   HG21  VAL   3          3HG2      VAL   3  -3.291   0.134  -0.517
   22   HG22  VAL   3          1HG2      VAL   3  -1.624  -0.427  -0.636
   23   HG23  VAL   3          2HG2      VAL   3  -2.503   0.040  -2.092
   24    H    ASP   4           H        ASP   4  -0.527  -1.058  -3.351
   25    HA   ASP   4           HA       ASP   4  -2.114   0.040  -5.378
   26    HB2  ASP   4           2HB      ASP   4   0.561   0.289  -4.481
   27    HB3  ASP   4           3HB      ASP   4   0.630  -0.034  -6.211
   28    HA   PRO   5           HA       PRO   5  -0.087  -3.209  -8.346
   29    HB2  PRO   5           2HB      PRO   5   1.111  -5.345  -7.175
   30    HB3  PRO   5           3HB      PRO   5   1.976  -3.853  -7.566
   31    HG2  PRO   5           2HG      PRO   5   0.847  -4.758  -4.945
   32    HG3  PRO   5           3HG      PRO   5   2.407  -3.986  -5.284
   33    HD2  PRO   5           2HD      PRO   5   0.286  -2.615  -4.308
   34    HD3  PRO   5           3HD      PRO   5   1.484  -1.877  -5.391
   35    H    PHE   6           H        PHE   6  -1.474  -4.320  -5.307
   36    HA   PHE   6           HA       PHE   6  -2.592  -6.728  -6.187
   37    HB2  PHE   6           2HB      PHE   6  -2.414  -5.788  -3.795
   38    HB3  PHE   6           3HB      PHE   6  -3.920  -4.949  -4.154
   39    HD1  PHE   6           HD2      PHE   6  -2.347  -8.247  -3.733
   40    HD2  PHE   6           HD1      PHE   6  -5.994  -6.108  -4.227
   41    HE1  PHE   6           HE2      PHE   6  -3.611 -10.268  -3.124
   42    HE2  PHE   6           HE1      PHE   6  -7.263  -8.126  -3.618
   43    HZ   PHE   6           HZ       PHE   6  -6.072 -10.209  -3.067
   44    H    TYR   7           H        TYR   7  -4.204  -3.566  -5.823
   45    HA   TYR   7           HA       TYR   7  -6.541  -4.415  -7.222
   46    HB2  TYR   7           2HB      TYR   7  -7.432  -2.428  -6.580
   47    HB3  TYR   7           3HB      TYR   7  -6.041  -2.392  -5.502
   48    HD1  TYR   7           HD2      TYR   7  -4.081  -0.993  -6.058
   49    HD2  TYR   7           HD1      TYR   7  -7.620  -0.906  -8.419
   50    HE1  TYR   7           HE2      TYR   7  -3.341   1.119  -7.078
   51    HE2  TYR   7           HE1      TYR   7  -6.890   1.206  -9.446
   52    HH   TYR   7           HH       TYR   7  -3.737   2.627  -8.681
   53    H    GLU   8           H        GLU   8  -3.485  -3.199  -8.180
   54    HA   GLU   8           HA       GLU   8  -4.306  -2.063 -10.676
   55    HB2  GLU   8           2HB      GLU   8  -1.729  -2.643  -9.322
   56    HB3  GLU   8           3HB      GLU   8  -1.693  -2.527 -11.076
   57    HG2  GLU   8           2HG      GLU   8  -2.918  -0.398  -9.354
   58    HG3  GLU   8           3HG      GLU   8  -1.204  -0.415  -9.768
   59    H    MET   9           H        MET   9  -2.968  -5.171  -9.648
   60    HA   MET   9           HA       MET   9  -2.898  -6.210 -12.336
   61    HB2  MET   9           2HB      MET   9  -2.098  -8.247 -11.350
   62    HB3  MET   9           3HB      MET   9  -1.288  -6.903 -10.556
   63    HG2  MET   9           2HG      MET   9  -2.900  -7.090  -8.691
   64    HG3  MET   9           3HG      MET   9  -3.591  -8.509  -9.476
   65    HE1  MET   9           3HE      MET   9  -2.605 -10.488  -9.967
   66    HE2  MET   9           1HE      MET   9  -1.085 -11.167  -9.384
   67    HE3  MET   9           2HE      MET   9  -2.487 -11.100  -8.316
   68    H    LEU  10           H        LEU  10  -4.975  -6.518  -9.501
   69    HA   LEU  10           HA       LEU  10  -6.685  -8.473 -10.749
   70    HB2  LEU  10           2HB      LEU  10  -6.644  -7.011  -8.155
   71    HB3  LEU  10           3HB      LEU  10  -8.154  -7.748  -8.688
   72    HG   LEU  10           HG       LEU  10  -6.288  -9.775  -8.974
   73   HD11  LEU  10          1HD1      LEU  10  -5.120  -9.895  -6.859
   74   HD12  LEU  10          2HD1      LEU  10  -5.795  -8.342  -6.368
   75   HD13  LEU  10          3HD1      LEU  10  -4.662  -8.424  -7.717
   76   HD21  LEU  10          3HD2      LEU  10  -8.677  -9.741  -8.081
   77   HD22  LEU  10          1HD2      LEU  10  -7.960  -9.363  -6.514
   78   HD23  LEU  10          2HD2      LEU  10  -7.550 -10.872  -7.330
   79    H    ALA  11           H        ALA  11  -8.491  -8.125 -11.893
   80    HA   ALA  11           HA       ALA  11  -9.144  -5.430 -12.675
   81    HB1  ALA  11           1HB      ALA  11  -9.502  -8.036 -13.759
   82    HB2  ALA  11           2HB      ALA  11 -11.077  -7.248 -13.659
   83    HB3  ALA  11           3HB      ALA  11  -9.757  -6.472 -14.533
   84    H    ALA  12           H        ALA  12 -10.652  -7.999 -10.777
   85    HA   ALA  12           HA       ALA  12 -13.152  -6.766 -10.397
   86    HB1  ALA  12           1HB      ALA  12 -12.161  -8.419  -8.178
   87    HB2  ALA  12           2HB      ALA  12 -13.639  -8.559  -9.130
   88    HB3  ALA  12           3HB      ALA  12 -12.118  -9.185  -9.766
   89    H    ARG  13           H        ARG  13 -10.125  -6.574  -8.586
   90    HA   ARG  13           HA       ARG  13 -11.065  -5.157  -6.364
   91    HB2  ARG  13           2HB      ARG  13  -8.485  -5.811  -7.541
   92    HB3  ARG  13           3HB      ARG  13  -8.483  -4.222  -6.787
   93    HG2  ARG  13           2HG      ARG  13  -9.343  -6.771  -5.434
   94    HG3  ARG  13           3HG      ARG  13  -7.758  -6.013  -5.265
   95    HD2  ARG  13           2HD      ARG  13  -9.180  -3.913  -4.602
   96    HD3  ARG  13           3HD      ARG  13 -10.415  -5.119  -4.243
   97    HE   ARG  13           HE       ARG  13  -9.180  -5.813  -2.429
   98   HH11  ARG  13          1HH1      ARG  13  -7.278  -3.667  -4.404
   99   HH12  ARG  13          2HH1      ARG  13  -6.009  -3.505  -3.235
  100   HH21  ARG  13          1HH2      ARG  13  -7.516  -5.607  -0.882
  101   HH22  ARG  13          2HH2      ARG  13  -6.146  -4.609  -1.232
  102    H    LYS  14           H        LYS  14 -10.598  -4.171  -9.613
  103    HA   LYS  14           HA       LYS  14 -10.330  -1.358  -9.047
  104    HB2  LYS  14           2HB      LYS  14 -10.920  -2.807 -11.635
  105    HB3  LYS  14           3HB      LYS  14 -10.565  -1.090 -11.497
  106    HG2  LYS  14           2HG      LYS  14  -8.336  -1.517 -10.809
  107    HG3  LYS  14           3HG      LYS  14  -8.664  -3.238 -10.599
  108    HD2  LYS  14           2HD      LYS  14  -7.780  -3.426 -12.658
  109    HD3  LYS  14           3HD      LYS  14  -9.368  -2.877 -13.199
  110    HE2  LYS  14           2HE      LYS  14  -7.258  -0.880 -12.499
  111    HE3  LYS  14           3HE      LYS  14  -7.209  -1.694 -14.062
  112    HZ1  LYS  14           3HZ      LYS  14  -9.433  -0.889 -14.521
  113    HZ2  LYS  14           1HZ      LYS  14  -8.402   0.408 -14.177
  114    HZ3  LYS  14           2HZ      LYS  14  -9.504  -0.128 -13.011
  115    H    LYS  15           H        LYS  15 -12.043  -0.470  -8.040
  116    HA   LYS  15           HA       LYS  15 -14.751  -1.186  -8.735
  117    HB2  LYS  15           2HB      LYS  15 -13.581   0.833  -6.822
  118    HB3  LYS  15           3HB      LYS  15 -15.312   0.651  -7.075
  119    HG2  LYS  15           2HG      LYS  15 -15.398  -1.370  -6.011
  120    HG3  LYS  15           3HG      LYS  15 -13.716  -1.760  -6.379
  121    HD2  LYS  15           2HD      LYS  15 -13.339   0.382  -4.811
  122    HD3  LYS  15           3HD      LYS  15 -14.865  -0.200  -4.141
  123    HE2  LYS  15           2HE      LYS  15 -13.899  -2.372  -3.721
  124    HE3  LYS  15           3HE      LYS  15 -12.400  -1.897  -4.520
  125    HZ1  LYS  15           3HZ      LYS  15 -11.993  -0.291  -2.798
  126    HZ2  LYS  15           1HZ      LYS  15 -12.260  -1.802  -2.085
  127    HZ3  LYS  15           2HZ      LYS  15 -13.478  -0.628  -2.061
  128    H    ARG  16           H        ARG  16 -13.471   2.098  -8.352
  129    HA   ARG  16           HA       ARG  16 -15.165   3.041 -10.486
  130    HB2  ARG  16           2HB      ARG  16 -14.898   4.431  -8.525
  131    HB3  ARG  16           3HB      ARG  16 -13.152   4.453  -8.731
  132    HG2  ARG  16           2HG      ARG  16 -14.065   6.545  -9.467
  133    HG3  ARG  16           3HG      ARG  16 -13.453   5.657 -10.865
  134    HD2  ARG  16           2HD      ARG  16 -15.531   5.316 -11.730
  135    HD3  ARG  16           3HD      ARG  16 -16.300   5.264 -10.145
  136    HE   ARG  16           HE       ARG  16 -16.020   7.538 -11.829
  137   HH11  ARG  16          1HH1      ARG  16 -16.078   6.539  -8.494
  138   HH12  ARG  16          2HH1      ARG  16 -16.636   8.071  -7.909
  139   HH21  ARG  16          1HH2      ARG  16 -16.754   9.560 -11.071
  140   HH22  ARG  16          2HH2      ARG  16 -17.021   9.789  -9.375
  141    H    ILE  17           H        ILE  17 -11.718   2.528  -9.955
  142    HA   ILE  17           HA       ILE  17 -10.716   3.793 -12.228
  143    HB   ILE  17           HB       ILE  17  -8.852   2.034 -12.057
  144   HG12  ILE  17          2HG1      ILE  17 -10.716   0.672 -10.572
  145   HG13  ILE  17          3HG1      ILE  17  -8.984   0.356 -10.556
  146   HG21  ILE  17          1HG2      ILE  17  -8.006   3.059  -9.935
  147   HG22  ILE  17          2HG2      ILE  17  -8.550   4.216 -11.148
  148   HG23  ILE  17          3HG2      ILE  17  -9.575   3.844  -9.762
  149   HD11  ILE  17          3HD1      ILE  17 -10.064   0.568  -8.312
  150   HD12  ILE  17          1HD1      ILE  17  -8.687   1.635  -8.585
  151   HD13  ILE  17          2HD1      ILE  17 -10.329   2.273  -8.676
  152    H    SER  18           H        SER  18 -12.133   0.602 -11.822
  153    HA   SER  18           HA       SER  18 -11.389  -0.539 -14.260
  154    HB2  SER  18           2HB      SER  18 -12.344  -2.085 -12.833
  155    HB3  SER  18           3HB      SER  18 -13.628  -0.986 -12.329
  156    HG   SER  18           HG       SER  18 -14.783  -1.503 -14.066
  157    H    VAL  19           H        VAL  19 -14.594   0.836 -13.500
  158    HA   VAL  19           HA       VAL  19 -15.455   0.962 -16.172
  159    HB   VAL  19           HB       VAL  19 -17.055   1.026 -14.356
  160   HG11  VAL  19          1HG1      VAL  19 -15.610   2.315 -12.788
  161   HG12  VAL  19          2HG1      VAL  19 -16.017   3.776 -13.690
  162   HG13  VAL  19          3HG1      VAL  19 -17.280   2.876 -12.850
  163   HG21  VAL  19          3HG2      VAL  19 -18.506   2.208 -15.576
  164   HG22  VAL  19          1HG2      VAL  19 -17.611   3.708 -15.333
  165   HG23  VAL  19          2HG2      VAL  19 -17.139   2.598 -16.620
  166    H    LYS  20           H        LYS  20 -13.887   3.351 -14.093
  167    HA   LYS  20           HA       LYS  20 -14.107   5.563 -15.804
  168    HB2  LYS  20           2HB      LYS  20 -13.472   5.875 -13.505
  169    HB3  LYS  20           3HB      LYS  20 -12.041   4.874 -13.711
  170    HG2  LYS  20           2HG      LYS  20 -12.207   7.198 -15.500
  171    HG3  LYS  20           3HG      LYS  20 -12.041   7.571 -13.783
  172    HD2  LYS  20           2HD      LYS  20 -10.270   5.475 -14.919
  173    HD3  LYS  20           3HD      LYS  20  -9.937   7.153 -15.354
  174    HE2  LYS  20           2HE      LYS  20 -10.370   6.372 -12.495
  175    HE3  LYS  20           3HE      LYS  20  -8.800   6.134 -13.260
  176    HZ1  LYS  20           3HZ      LYS  20 -10.226   8.735 -13.169
  177    HZ2  LYS  20           1HZ      LYS  20  -8.649   8.459 -13.714
  178    HZ3  LYS  20           2HZ      LYS  20  -9.021   8.275 -12.075
  179    H    LYS  21           H        LYS  21 -12.122   2.763 -15.962
  180    HA   LYS  21           HA       LYS  21 -10.116   3.934 -17.675
  181    HB2  LYS  21           2HB      LYS  21  -9.552   2.085 -16.155
  182    HB3  LYS  21           3HB      LYS  21 -10.681   1.039 -17.006
  183    HG2  LYS  21           2HG      LYS  21  -8.697   2.283 -18.749
  184    HG3  LYS  21           3HG      LYS  21  -8.005   1.234 -17.509
  185    HD2  LYS  21           2HD      LYS  21  -8.958  -0.646 -18.375
  186    HD3  LYS  21           3HD      LYS  21 -10.367   0.220 -18.992
  187    HE2  LYS  21           2HE      LYS  21  -9.171   1.015 -20.871
  188    HE3  LYS  21           3HE      LYS  21  -7.622   0.538 -20.179
  189    HZ1  LYS  21           3HZ      LYS  21  -9.026  -0.915 -21.956
  190    HZ2  LYS  21           1HZ      LYS  21  -9.491  -1.633 -20.497
  191    HZ3  LYS  21           2HZ      LYS  21  -7.854  -1.546 -20.912
  192    H    LYS  22           H        LYS  22 -12.647   1.459 -18.106
  193    HA   LYS  22           HA       LYS  22 -12.362   1.230 -20.893
  194    HB2  LYS  22           2HB      LYS  22 -14.707   0.279 -20.782
  195    HB3  LYS  22           3HB      LYS  22 -13.512  -0.507 -19.759
  196    HG2  LYS  22           2HG      LYS  22 -14.356   0.616 -17.813
  197    HG3  LYS  22           3HG      LYS  22 -15.459   1.578 -18.799
  198    HD2  LYS  22           2HD      LYS  22 -16.221  -0.873 -19.563
  199    HD3  LYS  22           3HD      LYS  22 -15.648  -1.247 -17.935
  200    HE2  LYS  22           2HE      LYS  22 -17.298  -0.042 -16.932
  201    HE3  LYS  22           3HE      LYS  22 -17.394   1.127 -18.247
  202    HZ1  LYS  22           3HZ      LYS  22 -18.213  -1.344 -19.246
  203    HZ2  LYS  22           1HZ      LYS  22 -19.149   0.046 -19.010
  204    HZ3  LYS  22           2HZ      LYS  22 -19.023  -1.108 -17.780
  205    H    GLN  23           H        GLN  23 -14.430   3.294 -18.904
  206    HA   GLN  23           HA       GLN  23 -15.923   4.399 -21.035
  207    HB2  GLN  23           2HB      GLN  23 -16.774   5.937 -19.461
  208    HB3  GLN  23           3HB      GLN  23 -16.477   4.462 -18.551
  209    HG2  GLN  23           2HG      GLN  23 -14.410   5.384 -17.682
  210    HG3  GLN  23           3HG      GLN  23 -14.644   6.847 -18.638
  211   HE21  GLN  23          1HE2      GLN  23 -16.869   4.926 -16.660
  212   HE22  GLN  23          2HE2      GLN  23 -17.339   6.223 -15.621
  213    H    GLU  24           H        GLU  24 -15.844   6.997 -21.148
  214    HA   GLU  24           HA       GLU  24 -13.562   7.611 -22.663
  215    HB2  GLU  24           2HB      GLU  24 -14.430   9.881 -22.751
  216    HB3  GLU  24           3HB      GLU  24 -15.737   8.726 -22.963
  217    HG2  GLU  24           2HG      GLU  24 -16.296   9.010 -20.558
  218    HG3  GLU  24           3HG      GLU  24 -15.082  10.286 -20.477
  219    H    GLN  25           H        GLN  25 -11.615   8.378 -22.141
  220    HA   GLN  25           HA       GLN  25 -10.711   8.472 -19.495
  221    HB2  GLN  25           2HB      GLN  25  -8.703   9.654 -20.506
  222    HB3  GLN  25           3HB      GLN  25  -9.099   8.078 -21.179
  223    HG2  GLN  25           2HG      GLN  25  -9.965   9.009 -23.145
  224    HG3  GLN  25           3HG      GLN  25 -10.067  10.620 -22.436
  225   HE21  GLN  25          1HE2      GLN  25  -7.686   8.103 -23.187
  226   HE22  GLN  25          2HE2      GLN  25  -6.441   9.189 -23.693
  227    HA   PRO  26           HA       PRO  26 -11.723  12.472 -18.005
  228    HB2  PRO  26           2HB      PRO  26  -9.543  13.058 -16.496
  229    HB3  PRO  26           3HB      PRO  26 -10.747  11.855 -16.018
  230    HG2  PRO  26           2HG      PRO  26  -8.074  11.453 -17.305
  231    HG3  PRO  26           3HG      PRO  26  -8.826  10.544 -15.981
  232    HD2  PRO  26           2HD      PRO  26  -8.802   9.646 -18.535
  233    HD3  PRO  26           3HD      PRO  26 -10.132   9.295 -17.413
  Start of MODEL   18
    1    H1   VAL   1           H        VAL   1   2.026  -0.441   1.269
    2    HA   VAL   1           HA       VAL   1   2.202   0.054  -1.543
    3    HB   VAL   1           HB       VAL   1   4.152  -1.449   0.206
    4   HG11  VAL   1          1HG1      VAL   1   4.092  -0.821  -2.597
    5   HG12  VAL   1          2HG1      VAL   1   5.467  -0.034  -1.821
    6   HG13  VAL   1          3HG1      VAL   1   5.260  -1.781  -1.691
    7   HG21  VAL   1          3HG2      VAL   1   5.315   0.898   0.040
    8   HG22  VAL   1          1HG2      VAL   1   3.661   1.463  -0.198
    9   HG23  VAL   1          2HG2      VAL   1   4.091   0.586   1.271
   10    H    SER   2           H        SER   2   1.472  -2.696   0.437
   11    HA   SER   2           HA       SER   2   1.969  -4.644  -1.625
   12    HB2  SER   2           2HB      SER   2   1.349  -6.267  -0.052
   13    HB3  SER   2           3HB      SER   2   2.049  -4.992   0.945
   14    HG   SER   2           HG       SER   2   0.210  -5.021   1.947
   15    H    VAL   3           H        VAL   3  -0.606  -2.572  -0.739
   16    HA   VAL   3           HA       VAL   3  -2.697  -4.163  -1.937
   17    HB   VAL   3           HB       VAL   3  -2.808  -1.256  -1.129
   18   HG11  VAL   3          1HG1      VAL   3  -4.881  -3.320  -1.803
   19   HG12  VAL   3          2HG1      VAL   3  -5.268  -1.893  -0.840
   20   HG13  VAL   3          3HG1      VAL   3  -4.662  -1.709  -2.487
   21   HG21  VAL   3          3HG2      VAL   3  -4.124  -2.673   0.816
   22   HG22  VAL   3          1HG2      VAL   3  -2.727  -3.694   0.474
   23   HG23  VAL   3          2HG2      VAL   3  -2.495  -2.013   0.955
   24    H    ASP   4           H        ASP   4  -0.417  -1.800  -2.964
   25    HA   ASP   4           HA       ASP   4  -1.751  -0.666  -5.146
   26    HB2  ASP   4           2HB      ASP   4   0.872  -0.620  -4.067
   27    HB3  ASP   4           3HB      ASP   4   1.021  -1.009  -5.778
   28    HA   PRO   5           HA       PRO   5   0.180  -4.216  -7.819
   29    HB2  PRO   5           2HB      PRO   5   1.093  -6.391  -6.475
   30    HB3  PRO   5           3HB      PRO   5   2.114  -5.001  -6.860
   31    HG2  PRO   5           2HG      PRO   5   0.724  -5.677  -4.296
   32    HG3  PRO   5           3HG      PRO   5   2.368  -5.063  -4.549
   33    HD2  PRO   5           2HD      PRO   5   0.316  -3.466  -3.792
   34    HD3  PRO   5           3HD      PRO   5   1.650  -2.888  -4.811
   35    H    PHE   6           H        PHE   6  -1.461  -5.131  -4.828
   36    HA   PHE   6           HA       PHE   6  -2.755  -7.435  -5.748
   37    HB2  PHE   6           2HB      PHE   6  -2.589  -6.505  -3.352
   38    HB3  PHE   6           3HB      PHE   6  -3.993  -5.530  -3.774
   39    HD1  PHE   6           HD2      PHE   6  -6.147  -6.596  -4.252
   40    HD2  PHE   6           HD1      PHE   6  -2.774  -8.852  -2.967
   41    HE1  PHE   6           HE2      PHE   6  -7.625  -8.482  -3.694
   42    HE2  PHE   6           HE1      PHE   6  -4.246 -10.742  -2.408
   43    HZ   PHE   6           HZ       PHE   6  -6.675 -10.558  -2.770
   44    H    TYR   7           H        TYR   7  -3.979  -4.093  -5.568
   45    HA   TYR   7           HA       TYR   7  -6.369  -4.738  -7.014
   46    HB2  TYR   7           2HB      TYR   7  -7.079  -2.687  -6.385
   47    HB3  TYR   7           3HB      TYR   7  -5.679  -2.719  -5.320
   48    HD1  TYR   7           HD2      TYR   7  -3.643  -1.470  -5.907
   49    HD2  TYR   7           HD1      TYR   7  -7.146  -1.250  -8.311
   50    HE1  TYR   7           HE2      TYR   7  -2.753   0.540  -7.010
   51    HE2  TYR   7           HE1      TYR   7  -6.266   0.760  -9.422
   52    HH   TYR   7           HH       TYR   7  -3.105   1.696  -9.290
   53    H    GLU   8           H        GLU   8  -3.170  -3.998  -7.885
   54    HA   GLU   8           HA       GLU   8  -3.779  -2.803 -10.435
   55    HB2  GLU   8           2HB      GLU   8  -1.326  -3.538  -8.938
   56    HB3  GLU   8           3HB      GLU   8  -1.196  -3.507 -10.691
   57    HG2  GLU   8           2HG      GLU   8  -2.283  -1.211  -9.089
   58    HG3  GLU   8           3HG      GLU   8  -0.577  -1.385  -9.496
   59    H    MET   9           H        MET   9  -2.802  -5.980  -9.243
   60    HA   MET   9           HA       MET   9  -2.658  -7.117 -11.886
   61    HB2  MET   9           2HB      MET   9  -2.278  -9.243 -10.708
   62    HB3  MET   9           3HB      MET   9  -1.209  -7.974 -10.127
   63    HG2  MET   9           2HG      MET   9  -3.125  -7.660  -8.343
   64    HG3  MET   9           3HG      MET   9  -3.456  -9.341  -8.757
   65    HE1  MET   9           3HE      MET   9  -0.847 -10.968  -9.036
   66    HE2  MET   9           1HE      MET   9  -0.651 -11.347  -7.324
   67    HE3  MET   9           2HE      MET   9  -2.265 -11.267  -8.030
   68    H    LEU  10           H        LEU  10  -4.928  -7.172  -9.178
   69    HA   LEU  10           HA       LEU  10  -6.738  -8.982 -10.480
   70    HB2  LEU  10           2HB      LEU  10  -6.608  -7.527  -7.924
   71    HB3  LEU  10           3HB      LEU  10  -8.231  -7.830  -8.539
   72    HG   LEU  10           HG       LEU  10  -7.628  -9.568  -6.992
   73   HD11  LEU  10          1HD1      LEU  10  -8.625  -9.995  -9.471
   74   HD12  LEU  10          2HD1      LEU  10  -8.488 -11.236  -8.226
   75   HD13  LEU  10          3HD1      LEU  10  -7.248 -11.096  -9.471
   76   HD21  LEU  10          3HD2      LEU  10  -5.708 -10.979  -7.263
   77   HD22  LEU  10          1HD2      LEU  10  -5.169  -9.300  -7.244
   78   HD23  LEU  10          2HD2      LEU  10  -5.271 -10.176  -8.772
   79    H    ALA  11           H        ALA  11  -8.375  -8.520 -11.812
   80    HA   ALA  11           HA       ALA  11  -8.724  -5.807 -12.721
   81    HB1  ALA  11           1HB      ALA  11 -10.189  -8.312 -13.541
   82    HB2  ALA  11           2HB      ALA  11 -10.223  -6.760 -14.378
   83    HB3  ALA  11           3HB      ALA  11  -8.724  -7.687 -14.298
   84    H    ALA  12           H        ALA  12 -10.609  -8.185 -10.914
   85    HA   ALA  12           HA       ALA  12 -12.998  -6.661 -10.790
   86    HB1  ALA  12           1HB      ALA  12 -12.717  -8.390  -8.518
   87    HB2  ALA  12           2HB      ALA  12 -13.792  -8.536  -9.908
   88    HB3  ALA  12           3HB      ALA  12 -12.165  -9.213  -9.977
   89    H    ARG  13           H        ARG  13 -10.008  -6.464  -9.119
   90    HA   ARG  13           HA       ARG  13 -10.975  -5.224  -6.737
   91    HB2  ARG  13           2HB      ARG  13  -8.398  -5.968  -7.871
   92    HB3  ARG  13           3HB      ARG  13  -8.336  -4.416  -7.047
   93    HG2  ARG  13           2HG      ARG  13  -9.303  -7.008  -5.859
   94    HG3  ARG  13           3HG      ARG  13  -7.746  -6.237  -5.551
   95    HD2  ARG  13           2HD      ARG  13  -9.153  -4.204  -4.817
   96    HD3  ARG  13           3HD      ARG  13 -10.488  -5.352  -4.726
   97    HE   ARG  13           HE       ARG  13  -9.526  -6.291  -2.856
   98   HH11  ARG  13          1HH1      ARG  13  -7.294  -4.080  -4.357
   99   HH12  ARG  13          2HH1      ARG  13  -6.181  -4.098  -3.030
  100   HH21  ARG  13          1HH2      ARG  13  -8.067  -6.322  -1.102
  101   HH22  ARG  13          2HH2      ARG  13  -6.621  -5.374  -1.179
  102    H    LYS  14           H        LYS  14 -10.369  -4.143  -9.931
  103    HA   LYS  14           HA       LYS  14  -9.922  -1.382  -9.280
  104    HB2  LYS  14           2HB      LYS  14 -10.673  -2.689 -11.902
  105    HB3  LYS  14           3HB      LYS  14 -10.176  -1.013 -11.711
  106    HG2  LYS  14           2HG      LYS  14  -7.978  -1.661 -11.055
  107    HG3  LYS  14           3HG      LYS  14  -8.450  -3.359 -10.960
  108    HD2  LYS  14           2HD      LYS  14  -8.563  -3.587 -13.269
  109    HD3  LYS  14           3HD      LYS  14  -8.740  -1.850 -13.530
  110    HE2  LYS  14           2HE      LYS  14  -6.444  -1.467 -12.991
  111    HE3  LYS  14           3HE      LYS  14  -6.236  -3.131 -12.449
  112    HZ1  LYS  14           3HZ      LYS  14  -6.015  -2.060 -15.070
  113    HZ2  LYS  14           1HZ      LYS  14  -7.155  -3.310 -15.035
  114    HZ3  LYS  14           2HZ      LYS  14  -5.575  -3.590 -14.500
  115    H    LYS  15           H        LYS  15 -11.565  -0.467  -8.160
  116    HA   LYS  15           HA       LYS  15 -14.323  -0.924  -8.874
  117    HB2  LYS  15           2HB      LYS  15 -12.990   0.857  -6.835
  118    HB3  LYS  15           3HB      LYS  15 -14.731   0.829  -7.083
  119    HG2  LYS  15           2HG      LYS  15 -14.938  -1.339  -6.270
  120    HG3  LYS  15           3HG      LYS  15 -13.223  -1.689  -6.496
  121    HD2  LYS  15           2HD      LYS  15 -13.674  -1.405  -4.144
  122    HD3  LYS  15           3HD      LYS  15 -12.698  -0.049  -4.715
  123    HE2  LYS  15           2HE      LYS  15 -14.576   1.402  -4.737
  124    HE3  LYS  15           3HE      LYS  15 -15.699   0.062  -4.509
  125    HZ1  LYS  15           3HZ      LYS  15 -13.737   0.253  -2.424
  126    HZ2  LYS  15           1HZ      LYS  15 -15.421   0.125  -2.314
  127    HZ3  LYS  15           2HZ      LYS  15 -14.701   1.639  -2.541
  128    H    ARG  16           H        ARG  16 -12.762   2.209  -8.293
  129    HA   ARG  16           HA       ARG  16 -14.408   3.440 -10.316
  130    HB2  ARG  16           2HB      ARG  16 -13.103   4.310  -7.992
  131    HB3  ARG  16           3HB      ARG  16 -12.290   5.136  -9.315
  132    HG2  ARG  16           2HG      ARG  16 -14.825   5.555 -10.048
  133    HG3  ARG  16           3HG      ARG  16 -15.048   5.425  -8.302
  134    HD2  ARG  16           2HD      ARG  16 -12.962   7.054  -8.285
  135    HD3  ARG  16           3HD      ARG  16 -13.568   7.457  -9.890
  136    HE   ARG  16           HE       ARG  16 -15.266   8.608  -8.895
  137   HH11  ARG  16          1HH1      ARG  16 -13.961   6.344  -6.594
  138   HH12  ARG  16          2HH1      ARG  16 -14.938   6.915  -5.282
  139   HH21  ARG  16          1HH2      ARG  16 -16.557   9.369  -7.176
  140   HH22  ARG  16          2HH2      ARG  16 -16.415   8.635  -5.614
  141    H    ILE  17           H        ILE  17 -11.010   2.596  -9.906
  142    HA   ILE  17           HA       ILE  17  -9.942   3.924 -12.111
  143    HB   ILE  17           HB       ILE  17  -8.242   1.997 -12.108
  144   HG12  ILE  17          2HG1      ILE  17 -10.192   0.710 -10.667
  145   HG13  ILE  17          3HG1      ILE  17  -8.496   0.240 -10.718
  146   HG21  ILE  17          1HG2      ILE  17  -8.752   3.704  -9.681
  147   HG22  ILE  17          2HG2      ILE  17  -7.265   2.795  -9.946
  148   HG23  ILE  17          3HG2      ILE  17  -7.725   4.077 -11.066
  149   HD11  ILE  17          3HD1      ILE  17  -9.510   0.397  -8.437
  150   HD12  ILE  17          1HD1      ILE  17  -8.043   1.346  -8.675
  151   HD13  ILE  17          2HD1      ILE  17  -9.619   2.140  -8.682
  152    H    SER  18           H        SER  18 -11.606   0.832 -11.889
  153    HA   SER  18           HA       SER  18 -11.020  -0.162 -14.438
  154    HB2  SER  18           2HB      SER  18 -12.014  -1.729 -13.033
  155    HB3  SER  18           3HB      SER  18 -13.261  -0.604 -12.492
  156    HG   SER  18           HG       SER  18 -13.103  -1.581 -15.147
  157    H    VAL  19           H        VAL  19 -14.081   1.371 -13.426
  158    HA   VAL  19           HA       VAL  19 -15.085   1.737 -16.013
  159    HB   VAL  19           HB       VAL  19 -16.549   1.872 -14.093
  160   HG11  VAL  19          1HG1      VAL  19 -16.484   3.672 -12.500
  161   HG12  VAL  19          2HG1      VAL  19 -14.893   2.909 -12.560
  162   HG13  VAL  19          3HG1      VAL  19 -15.165   4.451 -13.372
  163   HG21  VAL  19          3HG2      VAL  19 -16.876   4.648 -14.905
  164   HG22  VAL  19          1HG2      VAL  19 -16.619   3.558 -16.268
  165   HG23  VAL  19          2HG2      VAL  19 -17.945   3.266 -15.143
  166    H    LYS  20           H        LYS  20 -13.119   3.840 -13.969
  167    HA   LYS  20           HA       LYS  20 -13.240   6.163 -15.525
  168    HB2  LYS  20           2HB      LYS  20 -12.335   6.144 -13.255
  169    HB3  LYS  20           3HB      LYS  20 -10.988   5.143 -13.783
  170    HG2  LYS  20           2HG      LYS  20 -10.131   7.318 -13.637
  171    HG3  LYS  20           3HG      LYS  20 -10.387   7.035 -15.361
  172    HD2  LYS  20           2HD      LYS  20 -11.298   9.134 -15.114
  173    HD3  LYS  20           3HD      LYS  20 -12.723   8.118 -14.885
  174    HE2  LYS  20           2HE      LYS  20 -11.093   8.837 -12.501
  175    HE3  LYS  20           3HE      LYS  20 -12.130  10.074 -13.210
  176    HZ1  LYS  20           3HZ      LYS  20 -13.884   8.162 -13.097
  177    HZ2  LYS  20           1HZ      LYS  20 -13.554   9.108 -11.734
  178    HZ3  LYS  20           2HZ      LYS  20 -12.870   7.569 -11.880
  179    H    LYS  21           H        LYS  21 -11.120   3.347 -15.723
  180    HA   LYS  21           HA       LYS  21  -9.495   4.447 -17.814
  181    HB2  LYS  21           2HB      LYS  21  -9.655   1.905 -16.319
  182    HB3  LYS  21           3HB      LYS  21  -9.036   1.776 -17.961
  183    HG2  LYS  21           2HG      LYS  21  -7.186   2.047 -16.487
  184    HG3  LYS  21           3HG      LYS  21  -7.375   3.544 -17.404
  185    HD2  LYS  21           2HD      LYS  21  -8.757   4.365 -15.407
  186    HD3  LYS  21           3HD      LYS  21  -8.064   2.998 -14.531
  187    HE2  LYS  21           2HE      LYS  21  -6.261   4.845 -16.029
  188    HE3  LYS  21           3HE      LYS  21  -6.912   5.352 -14.471
  189    HZ1  LYS  21           3HZ      LYS  21  -5.847   2.685 -14.443
  190    HZ2  LYS  21           1HZ      LYS  21  -5.558   3.975 -13.388
  191    HZ3  LYS  21           2HZ      LYS  21  -4.686   3.852 -14.832
  192    H    LYS  22           H        LYS  22 -12.022   1.945 -17.680
  193    HA   LYS  22           HA       LYS  22 -12.065   1.347 -20.415
  194    HB2  LYS  22           2HB      LYS  22 -13.863   0.023 -19.938
  195    HB3  LYS  22           3HB      LYS  22 -13.271   0.268 -18.300
  196    HG2  LYS  22           2HG      LYS  22 -14.885   2.133 -18.049
  197    HG3  LYS  22           3HG      LYS  22 -15.530   1.736 -19.644
  198    HD2  LYS  22           2HD      LYS  22 -15.381  -0.255 -17.389
  199    HD3  LYS  22           3HD      LYS  22 -16.785   0.776 -17.671
  200    HE2  LYS  22           2HE      LYS  22 -17.341  -0.291 -19.634
  201    HE3  LYS  22           3HE      LYS  22 -15.692  -0.839 -19.927
  202    HZ1  LYS  22           3HZ      LYS  22 -17.237  -1.886 -17.644
  203    HZ2  LYS  22           1HZ      LYS  22 -15.919  -2.582 -18.445
  204    HZ3  LYS  22           2HZ      LYS  22 -17.437  -2.543 -19.190
  205    H    GLN  23           H        GLN  23 -13.265   4.064 -18.678
  206    HA   GLN  23           HA       GLN  23 -15.330   4.915 -20.363
  207    HB2  GLN  23           2HB      GLN  23 -13.536   6.228 -18.387
  208    HB3  GLN  23           3HB      GLN  23 -14.420   7.269 -19.496
  209    HG2  GLN  23           2HG      GLN  23 -16.017   5.179 -18.186
  210    HG3  GLN  23           3HG      GLN  23 -15.365   6.421 -17.119
  211   HE21  GLN  23          1HE2      GLN  23 -17.816   6.651 -16.957
  212   HE22  GLN  23          2HE2      GLN  23 -18.539   7.807 -18.016
  213    H    GLU  24           H        GLU  24 -15.305   5.524 -22.416
  214    HA   GLU  24           HA       GLU  24 -12.980   5.729 -23.962
  215    HB2  GLU  24           2HB      GLU  24 -15.257   5.232 -24.842
  216    HB3  GLU  24           3HB      GLU  24 -15.690   6.916 -24.582
  217    HG2  GLU  24           2HG      GLU  24 -15.144   6.537 -26.901
  218    HG3  GLU  24           3HG      GLU  24 -13.951   7.603 -26.160
  219    H    GLN  25           H        GLN  25 -15.115   8.285 -22.709
  220    HA   GLN  25           HA       GLN  25 -13.385  10.378 -23.656
  221    HB2  GLN  25           2HB      GLN  25 -15.952  10.239 -22.149
  222    HB3  GLN  25           3HB      GLN  25 -14.999  11.711 -22.018
  223    HG2  GLN  25           2HG      GLN  25 -16.066  10.478 -24.547
  224    HG3  GLN  25           3HG      GLN  25 -16.645  11.944 -23.758
  225   HE21  GLN  25          1HE2      GLN  25 -15.501  13.835 -23.971
  226   HE22  GLN  25          2HE2      GLN  25 -14.202  14.027 -25.093
  227    HA   PRO  26           HA       PRO  26 -10.735  10.920 -20.204
  228    HB2  PRO  26           2HB      PRO  26 -10.582  13.623 -19.997
  229    HB3  PRO  26           3HB      PRO  26  -9.818  12.714 -21.307
  230    HG2  PRO  26           2HG      PRO  26 -12.411  14.211 -21.301
  231    HG3  PRO  26           3HG      PRO  26 -11.146  14.169 -22.543
  232    HD2  PRO  26           2HD      PRO  26 -13.420  12.711 -22.730
  233    HD3  PRO  26           3HD      PRO  26 -11.870  12.152 -23.392
  Start of MODEL   19
    1    H1   VAL   1           H        VAL   1   2.982  -0.753   0.521
    2    HA   VAL   1           HA       VAL   1   2.856  -0.157  -2.212
    3    HB   VAL   1           HB       VAL   1   5.101  -1.116  -2.384
    4   HG11  VAL   1          1HG1      VAL   1   4.400   1.086  -1.008
    5   HG12  VAL   1          2HG1      VAL   1   5.268   0.203   0.249
    6   HG13  VAL   1          3HG1      VAL   1   6.072   0.593  -1.272
    7   HG21  VAL   1          3HG2      VAL   1   4.412  -2.268   0.298
    8   HG22  VAL   1          1HG2      VAL   1   5.057  -3.081  -1.127
    9   HG23  VAL   1          2HG2      VAL   1   6.088  -2.006  -0.182
   10    H    SER   2           H        SER   2   2.346  -3.133  -0.476
   11    HA   SER   2           HA       SER   2   2.506  -4.805  -2.818
   12    HB2  SER   2           2HB      SER   2   2.993  -5.494  -0.380
   13    HB3  SER   2           3HB      SER   2   1.241  -5.602  -0.202
   14    HG   SER   2           HG       SER   2   2.962  -7.318  -1.407
   15    H    VAL   3           H        VAL   3   0.125  -2.869  -1.313
   16    HA   VAL   3           HA       VAL   3  -2.147  -4.321  -2.347
   17    HB   VAL   3           HB       VAL   3  -2.060  -1.535  -1.181
   18   HG11  VAL   3          1HG1      VAL   3  -4.067  -1.972  -2.486
   19   HG12  VAL   3          2HG1      VAL   3  -4.349  -3.460  -1.581
   20   HG13  VAL   3          3HG1      VAL   3  -4.450  -1.898  -0.766
   21   HG21  VAL   3          3HG2      VAL   3  -1.838  -4.156   0.059
   22   HG22  VAL   3          1HG2      VAL   3  -1.550  -2.554   0.738
   23   HG23  VAL   3          2HG2      VAL   3  -3.185  -3.214   0.697
   24    H    ASP   4           H        ASP   4  -0.033  -1.820  -3.425
   25    HA   ASP   4           HA       ASP   4  -1.675  -0.474  -5.246
   26    HB2  ASP   4           2HB      ASP   4   1.080  -0.506  -4.566
   27    HB3  ASP   4           3HB      ASP   4   0.972  -0.690  -6.314
   28    HA   PRO   5           HA       PRO   5  -0.152  -3.675  -8.551
   29    HB2  PRO   5           2HB      PRO   5   0.929  -5.977  -7.601
   30    HB3  PRO   5           3HB      PRO   5   1.894  -4.541  -7.967
   31    HG2  PRO   5           2HG      PRO   5   0.874  -5.516  -5.327
   32    HG3  PRO   5           3HG      PRO   5   2.469  -4.859  -5.737
   33    HD2  PRO   5           2HD      PRO   5   0.553  -3.380  -4.524
   34    HD3  PRO   5           3HD      PRO   5   1.733  -2.677  -5.649
   35    H    PHE   6           H        PHE   6  -1.395  -4.892  -5.485
   36    HA   PHE   6           HA       PHE   6  -2.797  -7.116  -6.442
   37    HB2  PHE   6           2HB      PHE   6  -2.346  -6.511  -4.023
   38    HB3  PHE   6           3HB      PHE   6  -3.678  -5.367  -4.144
   39    HD1  PHE   6           HD2      PHE   6  -2.775  -8.935  -4.240
   40    HD2  PHE   6           HD1      PHE   6  -5.934  -6.088  -4.070
   41    HE1  PHE   6           HE2      PHE   6  -4.362 -10.734  -3.696
   42    HE2  PHE   6           HE1      PHE   6  -7.526  -7.883  -3.524
   43    HZ   PHE   6           HZ       PHE   6  -6.742 -10.209  -3.338
   44    H    TYR   7           H        TYR   7  -4.049  -3.854  -5.724
   45    HA   TYR   7           HA       TYR   7  -6.575  -4.381  -6.948
   46    HB2  TYR   7           2HB      TYR   7  -7.204  -2.440  -5.995
   47    HB3  TYR   7           3HB      TYR   7  -5.643  -2.497  -5.184
   48    HD1  TYR   7           HD2      TYR   7  -3.777  -1.115  -5.984
   49    HD2  TYR   7           HD1      TYR   7  -7.633  -0.867  -7.765
   50    HE1  TYR   7           HE2      TYR   7  -3.144   1.012  -7.045
   51    HE2  TYR   7           HE1      TYR   7  -7.010   1.260  -8.832
   52    HH   TYR   7           HH       TYR   7  -5.454   3.031  -8.638
   53    H    GLU   8           H        GLU   8  -3.512  -3.480  -8.127
   54    HA   GLU   8           HA       GLU   8  -4.449  -2.071 -10.458
   55    HB2  GLU   8           2HB      GLU   8  -1.817  -2.896  -9.360
   56    HB3  GLU   8           3HB      GLU   8  -1.913  -2.674 -11.101
   57    HG2  GLU   8           2HG      GLU   8  -3.057  -0.531  -9.419
   58    HG3  GLU   8           3HG      GLU   8  -1.303  -0.708  -9.411
   59    H    MET   9           H        MET   9  -3.234  -5.313  -9.729
   60    HA   MET   9           HA       MET   9  -3.460  -6.185 -12.466
   61    HB2  MET   9           2HB      MET   9  -2.776  -8.360 -11.629
   62    HB3  MET   9           3HB      MET   9  -1.741  -7.108 -10.956
   63    HG2  MET   9           2HG      MET   9  -3.399  -7.187  -8.957
   64    HG3  MET   9           3HG      MET   9  -3.823  -8.766  -9.614
   65    HE1  MET   9           3HE      MET   9  -2.338 -10.476  -7.288
   66    HE2  MET   9           1HE      MET   9  -3.176 -10.526  -8.839
   67    HE3  MET   9           2HE      MET   9  -1.519 -11.116  -8.713
   68    H    LEU  10           H        LEU  10  -5.290  -6.591  -9.471
   69    HA   LEU  10           HA       LEU  10  -7.235  -8.325 -10.702
   70    HB2  LEU  10           2HB      LEU  10  -6.959  -7.037  -8.011
   71    HB3  LEU  10           3HB      LEU  10  -8.460  -7.832  -8.483
   72    HG   LEU  10           HG       LEU  10  -5.784  -9.217  -8.451
   73   HD11  LEU  10          1HD1      LEU  10  -7.876  -8.953  -6.312
   74   HD12  LEU  10          2HD1      LEU  10  -6.146  -8.632  -6.203
   75   HD13  LEU  10          3HD1      LEU  10  -6.726 -10.290  -6.355
   76   HD21  LEU  10          3HD2      LEU  10  -8.633 -10.125  -8.762
   77   HD22  LEU  10          1HD2      LEU  10  -7.328 -11.225  -8.316
   78   HD23  LEU  10          2HD2      LEU  10  -7.274 -10.375  -9.860
   79    H    ALA  11           H        ALA  11  -8.917  -7.687 -11.865
   80    HA   ALA  11           HA       ALA  11  -9.546  -4.895 -12.144
   81    HB1  ALA  11           1HB      ALA  11 -11.116  -7.184 -13.298
   82    HB2  ALA  11           2HB      ALA  11 -10.972  -5.534 -13.906
   83    HB3  ALA  11           3HB      ALA  11  -9.594  -6.630 -13.995
   84    H    ALA  12           H        ALA  12 -10.599  -7.424 -10.126
   85    HA   ALA  12           HA       ALA  12 -13.297  -6.640  -9.732
   86    HB1  ALA  12           1HB      ALA  12 -12.277  -8.868  -9.139
   87    HB2  ALA  12           2HB      ALA  12 -11.572  -8.077  -7.729
   88    HB3  ALA  12           3HB      ALA  12 -13.325  -8.155  -7.913
   89    H    ARG  13           H        ARG  13 -10.353  -6.061  -7.807
   90    HA   ARG  13           HA       ARG  13 -11.540  -4.465  -5.842
   91    HB2  ARG  13           2HB      ARG  13  -8.972  -5.385  -6.418
   92    HB3  ARG  13           3HB      ARG  13  -8.828  -3.633  -6.461
   93    HG2  ARG  13           2HG      ARG  13  -8.755  -3.585  -4.254
   94    HG3  ARG  13           3HG      ARG  13 -10.362  -4.311  -4.181
   95    HD2  ARG  13           2HD      ARG  13  -9.448  -6.513  -4.160
   96    HD3  ARG  13           3HD      ARG  13  -7.833  -5.908  -4.524
   97    HE   ARG  13           HE       ARG  13  -9.020  -6.126  -1.960
   98   HH11  ARG  13          1HH1      ARG  13  -6.920  -4.101  -3.861
   99   HH12  ARG  13          2HH1      ARG  13  -6.064  -3.478  -2.489
  100   HH21  ARG  13          1HH2      ARG  13  -7.900  -5.313  -0.147
  101   HH22  ARG  13          2HH2      ARG  13  -6.622  -4.169  -0.377
  102    H    LYS  14           H        LYS  14 -10.771  -3.783  -9.115
  103    HA   LYS  14           HA       LYS  14 -10.537  -0.948  -8.884
  104    HB2  LYS  14           2HB      LYS  14 -11.170  -2.702 -11.264
  105    HB3  LYS  14           3HB      LYS  14 -10.846  -0.975 -11.357
  106    HG2  LYS  14           2HG      LYS  14  -8.599  -1.310 -10.547
  107    HG3  LYS  14           3HG      LYS  14  -8.911  -3.031 -10.307
  108    HD2  LYS  14           2HD      LYS  14  -7.804  -2.996 -12.345
  109    HD3  LYS  14           3HD      LYS  14  -9.501  -3.025 -12.831
  110    HE2  LYS  14           2HE      LYS  14  -9.354  -0.488 -12.921
  111    HE3  LYS  14           3HE      LYS  14  -7.607  -0.688 -12.797
  112    HZ1  LYS  14           3HZ      LYS  14  -7.561  -1.011 -14.972
  113    HZ2  LYS  14           1HZ      LYS  14  -9.248  -0.928 -15.073
  114    HZ3  LYS  14           2HZ      LYS  14  -8.490  -2.413 -14.789
  115    H    LYS  15           H        LYS  15 -12.286  -0.153  -7.744
  116    HA   LYS  15           HA       LYS  15 -14.987  -0.757  -8.559
  117    HB2  LYS  15           2HB      LYS  15 -13.873   1.195  -6.540
  118    HB3  LYS  15           3HB      LYS  15 -15.591   0.940  -6.816
  119    HG2  LYS  15           2HG      LYS  15 -15.590  -0.781  -5.430
  120    HG3  LYS  15           3HG      LYS  15 -14.338  -1.585  -6.380
  121    HD2  LYS  15           2HD      LYS  15 -12.704  -0.997  -4.947
  122    HD3  LYS  15           3HD      LYS  15 -13.375   0.616  -4.692
  123    HE2  LYS  15           2HE      LYS  15 -14.999  -0.258  -3.139
  124    HE3  LYS  15           3HE      LYS  15 -14.487  -1.910  -3.477
  125    HZ1  LYS  15           3HZ      LYS  15 -13.353  -1.467  -1.556
  126    HZ2  LYS  15           1HZ      LYS  15 -13.129   0.171  -1.915
  127    HZ3  LYS  15           2HZ      LYS  15 -12.193  -1.001  -2.696
  128    H    ARG  16           H        ARG  16 -13.580   2.454  -8.002
  129    HA   ARG  16           HA       ARG  16 -15.203   3.566 -10.110
  130    HB2  ARG  16           2HB      ARG  16 -13.091   4.891  -8.399
  131    HB3  ARG  16           3HB      ARG  16 -14.265   5.713  -9.418
  132    HG2  ARG  16           2HG      ARG  16 -15.272   3.871  -7.316
  133    HG3  ARG  16           3HG      ARG  16 -14.635   5.443  -6.829
  134    HD2  ARG  16           2HD      ARG  16 -16.290   6.605  -7.933
  135    HD3  ARG  16           3HD      ARG  16 -16.591   5.296  -9.075
  136    HE   ARG  16           HE       ARG  16 -17.897   5.714  -6.591
  137   HH11  ARG  16          1HH1      ARG  16 -16.719   3.213  -8.708
  138   HH12  ARG  16          2HH1      ARG  16 -17.861   2.031  -8.160
  139   HH21  ARG  16          1HH2      ARG  16 -19.406   4.166  -5.862
  140   HH22  ARG  16          2HH2      ARG  16 -19.390   2.574  -6.543
  141    H    ILE  17           H        ILE  17 -11.791   2.873  -9.561
  142    HA   ILE  17           HA       ILE  17 -10.699   4.191 -11.761
  143    HB   ILE  17           HB       ILE  17  -8.927   2.329 -11.650
  144   HG12  ILE  17          2HG1      ILE  17 -10.872   1.013 -10.231
  145   HG13  ILE  17          3HG1      ILE  17  -9.159   0.609 -10.210
  146   HG21  ILE  17          1HG2      ILE  17  -9.579   4.092  -9.298
  147   HG22  ILE  17          2HG2      ILE  17  -8.051   3.232  -9.485
  148   HG23  ILE  17          3HG2      ILE  17  -8.522   4.459 -10.661
  149   HD11  ILE  17          3HD1      ILE  17 -10.262   0.801  -7.971
  150   HD12  ILE  17          1HD1      ILE  17  -8.819   1.790  -8.191
  151   HD13  ILE  17          2HD1      ILE  17 -10.417   2.531  -8.277
  152    H    SER  18           H        SER  18 -12.237   1.035 -11.517
  153    HA   SER  18           HA       SER  18 -11.523   0.009 -14.019
  154    HB2  SER  18           2HB      SER  18 -12.497  -1.555 -12.586
  155    HB3  SER  18           3HB      SER  18 -13.828  -0.480 -12.157
  156    HG   SER  18           HG       SER  18 -14.605  -2.036 -13.556
  157    H    VAL  19           H        VAL  19 -14.650   1.485 -13.133
  158    HA   VAL  19           HA       VAL  19 -15.620   1.718 -15.747
  159    HB   VAL  19           HB       VAL  19 -17.118   1.910 -13.861
  160   HG11  VAL  19          1HG1      VAL  19 -15.500   3.040 -12.349
  161   HG12  VAL  19          2HG1      VAL  19 -15.794   4.543 -13.225
  162   HG13  VAL  19          3HG1      VAL  19 -17.106   3.767 -12.338
  163   HG21  VAL  19          3HG2      VAL  19 -17.607   3.103 -16.031
  164   HG22  VAL  19          1HG2      VAL  19 -18.478   3.698 -14.618
  165   HG23  VAL  19          2HG2      VAL  19 -17.087   4.589 -15.237
  166    H    LYS  20           H        LYS  20 -13.726   3.950 -13.773
  167    HA   LYS  20           HA       LYS  20 -13.850   6.136 -15.578
  168    HB2  LYS  20           2HB      LYS  20 -13.287   6.543 -13.278
  169    HB3  LYS  20           3HB      LYS  20 -11.909   5.453 -13.367
  170    HG2  LYS  20           2HG      LYS  20 -11.929   7.739 -15.243
  171    HG3  LYS  20           3HG      LYS  20 -11.677   8.100 -13.533
  172    HD2  LYS  20           2HD      LYS  20  -9.654   7.064 -13.474
  173    HD3  LYS  20           3HD      LYS  20 -10.117   5.855 -14.674
  174    HE2  LYS  20           2HE      LYS  20  -8.513   7.179 -15.753
  175    HE3  LYS  20           3HE      LYS  20 -10.058   7.766 -16.365
  176    HZ1  LYS  20           3HZ      LYS  20  -8.138   9.342 -15.379
  177    HZ2  LYS  20           1HZ      LYS  20  -9.084   9.112 -13.995
  178    HZ3  LYS  20           2HZ      LYS  20  -9.779   9.754 -15.397
  179    H    LYS  21           H        LYS  21 -12.048   3.222 -15.544
  180    HA   LYS  21           HA       LYS  21  -9.876   4.174 -17.178
  181    HB2  LYS  21           2HB      LYS  21  -9.537   2.313 -15.626
  182    HB3  LYS  21           3HB      LYS  21 -10.744   1.362 -16.481
  183    HG2  LYS  21           2HG      LYS  21  -8.462   0.696 -17.056
  184    HG3  LYS  21           3HG      LYS  21  -9.347   1.305 -18.457
  185    HD2  LYS  21           2HD      LYS  21  -8.073   3.202 -18.608
  186    HD3  LYS  21           3HD      LYS  21  -7.713   3.228 -16.880
  187    HE2  LYS  21           2HE      LYS  21  -6.595   1.202 -18.810
  188    HE3  LYS  21           3HE      LYS  21  -5.762   2.684 -18.346
  189    HZ1  LYS  21           3HZ      LYS  21  -5.912   1.911 -16.011
  190    HZ2  LYS  21           1HZ      LYS  21  -4.963   0.912 -16.994
  191    HZ3  LYS  21           2HZ      LYS  21  -6.529   0.437 -16.567
  192    H    LYS  22           H        LYS  22 -12.801   2.236 -17.684
  193    HA   LYS  22           HA       LYS  22 -12.330   1.856 -20.477
  194    HB2  LYS  22           2HB      LYS  22 -14.807   1.505 -18.784
  195    HB3  LYS  22           3HB      LYS  22 -14.719   1.077 -20.487
  196    HG2  LYS  22           2HG      LYS  22 -13.143  -0.633 -20.075
  197    HG3  LYS  22           3HG      LYS  22 -12.858  -0.069 -18.426
  198    HD2  LYS  22           2HD      LYS  22 -14.771  -1.018 -17.627
  199    HD3  LYS  22           3HD      LYS  22 -15.634  -0.825 -19.154
  200    HE2  LYS  22           2HE      LYS  22 -15.193  -3.182 -18.642
  201    HE3  LYS  22           3HE      LYS  22 -14.381  -2.667 -20.120
  202    HZ1  LYS  22           3HZ      LYS  22 -12.377  -3.032 -19.233
  203    HZ2  LYS  22           1HZ      LYS  22 -13.195  -3.973 -18.089
  204    HZ3  LYS  22           2HZ      LYS  22 -12.791  -2.369 -17.733
  205    H    GLN  23           H        GLN  23 -13.636   4.393 -18.581
  206    HA   GLN  23           HA       GLN  23 -15.412   5.551 -20.434
  207    HB2  GLN  23           2HB      GLN  23 -13.867   6.621 -18.091
  208    HB3  GLN  23           3HB      GLN  23 -14.818   7.698 -19.105
  209    HG2  GLN  23           2HG      GLN  23 -16.148   5.263 -18.069
  210    HG3  GLN  23           3HG      GLN  23 -15.797   6.558 -16.926
  211   HE21  GLN  23          1HE2      GLN  23 -18.226   6.431 -16.870
  212   HE22  GLN  23          2HE2      GLN  23 -19.085   7.450 -17.968
  213    H    GLU  24           H        GLU  24 -14.942   6.268 -22.396
  214    HA   GLU  24           HA       GLU  24 -12.317   6.771 -23.308
  215    HB2  GLU  24           2HB      GLU  24 -14.928   7.661 -24.547
  216    HB3  GLU  24           3HB      GLU  24 -13.374   7.556 -25.362
  217    HG2  GLU  24           2HG      GLU  24 -13.358   5.174 -25.170
  218    HG3  GLU  24           3HG      GLU  24 -14.797   5.200 -24.153
  219    H    GLN  25           H        GLN  25 -11.139   8.383 -22.483
  220    HA   GLN  25           HA       GLN  25 -12.276  10.847 -21.585
  221    HB2  GLN  25           2HB      GLN  25  -9.533   9.700 -21.778
  222    HB3  GLN  25           3HB      GLN  25  -9.687  11.445 -21.621
  223    HG2  GLN  25           2HG      GLN  25 -10.751   9.369 -19.721
  224    HG3  GLN  25           3HG      GLN  25  -9.380  10.445 -19.455
  225   HE21  GLN  25          1HE2      GLN  25  -9.734  12.564 -18.907
  226   HE22  GLN  25          2HE2      GLN  25 -11.290  13.179 -18.474
  227    HA   PRO  26           HA       PRO  26 -12.094  13.352 -25.180
  228    HB2  PRO  26           2HB      PRO  26 -11.201  15.722 -24.202
  229    HB3  PRO  26           3HB      PRO  26 -12.826  15.103 -23.884
  230    HG2  PRO  26           2HG      PRO  26 -10.390  15.007 -22.148
  231    HG3  PRO  26           3HG      PRO  26 -12.065  15.382 -21.705
  232    HD2  PRO  26           2HD      PRO  26 -10.950  12.954 -21.265
  233    HD3  PRO  26           3HD      PRO  26 -12.675  13.160 -21.631
  Start of MODEL   20
    1    H1   VAL   1           H        VAL   1   2.673   0.471   0.062
    2    HA   VAL   1           HA       VAL   1   2.481   0.688  -2.722
    3    HB   VAL   1           HB       VAL   1   4.568   1.053  -1.428
    4   HG11  VAL   1          1HG1      VAL   1   4.068  -1.348  -0.283
    5   HG12  VAL   1          2HG1      VAL   1   5.287  -1.797  -1.477
    6   HG13  VAL   1          3HG1      VAL   1   5.642  -0.554  -0.276
    7   HG21  VAL   1          3HG2      VAL   1   4.468   0.588  -3.923
    8   HG22  VAL   1          1HG2      VAL   1   6.027   0.339  -3.137
    9   HG23  VAL   1          2HG2      VAL   1   5.009  -1.045  -3.537
   10    H    SER   2           H        SER   2   2.097  -2.034  -0.611
   11    HA   SER   2           HA       SER   2   2.428  -4.017  -2.674
   12    HB2  SER   2           2HB      SER   2   2.969  -4.561  -0.345
   13    HB3  SER   2           3HB      SER   2   1.297  -4.258   0.125
   14    HG   SER   2           HG       SER   2   2.315  -6.330  -1.509
   15    H    VAL   3           H        VAL   3  -0.107  -2.019  -1.537
   16    HA   VAL   3           HA       VAL   3  -2.257  -3.718  -2.449
   17    HB   VAL   3           HB       VAL   3  -2.358  -0.804  -1.657
   18   HG11  VAL   3          1HG1      VAL   3  -4.428  -0.960  -2.487
   19   HG12  VAL   3          2HG1      VAL   3  -4.346  -2.719  -2.597
   20   HG13  VAL   3          3HG1      VAL   3  -4.783  -1.950  -1.071
   21   HG21  VAL   3          3HG2      VAL   3  -1.519  -2.022   0.211
   22   HG22  VAL   3          1HG2      VAL   3  -3.231  -1.722   0.511
   23   HG23  VAL   3          2HG2      VAL   3  -2.695  -3.314  -0.025
   24    H    ASP   4           H        ASP   4  -0.208  -1.300  -3.785
   25    HA   ASP   4           HA       ASP   4  -1.832  -0.271  -5.819
   26    HB2  ASP   4           2HB      ASP   4   0.897  -0.103  -5.057
   27    HB3  ASP   4           3HB      ASP   4   0.858  -0.523  -6.767
   28    HA   PRO   5           HA       PRO   5  -0.082  -3.814  -8.623
   29    HB2  PRO   5           2HB      PRO   5   1.065  -5.918  -7.349
   30    HB3  PRO   5           3HB      PRO   5   1.980  -4.502  -7.879
   31    HG2  PRO   5           2HG      PRO   5   0.922  -5.164  -5.158
   32    HG3  PRO   5           3HG      PRO   5   2.500  -4.496  -5.613
   33    HD2  PRO   5           2HD      PRO   5   0.488  -2.957  -4.656
   34    HD3  PRO   5           3HD      PRO   5   1.671  -2.357  -5.835
   35    H    PHE   6           H        PHE   6  -1.316  -4.729  -5.441
   36    HA   PHE   6           HA       PHE   6  -2.617  -7.097  -6.154
   37    HB2  PHE   6           2HB      PHE   6  -2.230  -6.217  -3.816
   38    HB3  PHE   6           3HB      PHE   6  -3.592  -5.131  -4.077
   39    HD1  PHE   6           HD1      PHE   6  -2.614  -8.693  -3.902
   40    HD2  PHE   6           HD2      PHE   6  -5.802  -5.874  -3.812
   41    HE1  PHE   6           HE1      PHE   6  -4.158 -10.467  -3.177
   42    HE2  PHE   6           HE2      PHE   6  -7.350  -7.642  -3.086
   43    HZ   PHE   6           HZ       PHE   6  -6.529  -9.942  -2.767
   44    H    TYR   7           H        TYR   7  -4.072  -3.862  -5.752
   45    HA   TYR   7           HA       TYR   7  -6.544  -4.611  -6.925
   46    HB2  TYR   7           2HB      TYR   7  -7.233  -2.561  -6.281
   47    HB3  TYR   7           3HB      TYR   7  -5.689  -2.484  -5.438
   48    HD1  TYR   7           HD2      TYR   7  -3.804  -1.224  -6.419
   49    HD2  TYR   7           HD1      TYR   7  -7.663  -1.210  -8.211
   50    HE1  TYR   7           HE2      TYR   7  -3.176   0.752  -7.741
   51    HE2  TYR   7           HE1      TYR   7  -7.045   0.766  -9.539
   52    HH   TYR   7           HH       TYR   7  -4.672   1.743 -10.390
   53    H    GLU   8           H        GLU   8  -3.513  -3.705  -8.231
   54    HA   GLU   8           HA       GLU   8  -4.493  -2.689 -10.728
   55    HB2  GLU   8           2HB      GLU   8  -1.845  -3.285  -9.538
   56    HB3  GLU   8           3HB      GLU   8  -1.942  -3.344 -11.293
   57    HG2  GLU   8           2HG      GLU   8  -2.873  -0.995  -9.669
   58    HG3  GLU   8           3HG      GLU   8  -1.240  -1.147 -10.314
   59    H    MET   9           H        MET   9  -3.174  -5.774  -9.596
   60    HA   MET   9           HA       MET   9  -3.389  -7.014 -12.180
   61    HB2  MET   9           2HB      MET   9  -2.660  -9.033 -11.075
   62    HB3  MET   9           3HB      MET   9  -1.684  -7.685 -10.506
   63    HG2  MET   9           2HG      MET   9  -3.060  -7.565  -8.478
   64    HG3  MET   9           3HG      MET   9  -3.991  -8.949  -9.046
   65    HE1  MET   9           3HE      MET   9  -0.855  -7.705  -7.219
   66    HE2  MET   9           1HE      MET   9   0.327  -8.988  -7.474
   67    HE3  MET   9           2HE      MET   9  -0.164  -7.961  -8.821
   68    H    LEU  10           H        LEU  10  -5.268  -6.985  -9.195
   69    HA   LEU  10           HA       LEU  10  -7.155  -8.941 -10.129
   70    HB2  LEU  10           2HB      LEU  10  -6.693  -7.385  -7.694
   71    HB3  LEU  10           3HB      LEU  10  -8.395  -7.652  -8.062
   72    HG   LEU  10           HG       LEU  10  -7.629  -9.351  -6.543
   73   HD11  LEU  10          1HD1      LEU  10  -8.423 -11.238  -7.659
   74   HD12  LEU  10          2HD1      LEU  10  -7.767 -10.713  -9.210
   75   HD13  LEU  10          3HD1      LEU  10  -9.167  -9.891  -8.521
   76   HD21  LEU  10          3HD2      LEU  10  -5.797 -10.797  -6.962
   77   HD22  LEU  10          1HD2      LEU  10  -5.215  -9.154  -7.228
   78   HD23  LEU  10          2HD2      LEU  10  -5.601 -10.186  -8.606
   79    H    ALA  11           H        ALA  11  -8.809  -8.586 -11.444
   80    HA   ALA  11           HA       ALA  11  -9.477  -5.909 -12.274
   81    HB1  ALA  11           1HB      ALA  11 -11.074  -8.287 -13.101
   82    HB2  ALA  11           2HB      ALA  11 -10.602  -6.866 -14.033
   83    HB3  ALA  11           3HB      ALA  11  -9.414  -8.120 -13.675
   84    H    ALA  12           H        ALA  12 -10.638  -8.158  -9.960
   85    HA   ALA  12           HA       ALA  12 -13.316  -7.103  -9.822
   86    HB1  ALA  12           1HB      ALA  12 -11.878  -8.901  -7.874
   87    HB2  ALA  12           2HB      ALA  12 -13.615  -8.601  -7.948
   88    HB3  ALA  12           3HB      ALA  12 -12.810  -9.451  -9.267
   89    H    ARG  13           H        ARG  13 -10.254  -6.311  -8.492
   90    HA   ARG  13           HA       ARG  13 -11.215  -4.987  -6.141
   91    HB2  ARG  13           2HB      ARG  13  -8.604  -5.323  -7.507
   92    HB3  ARG  13           3HB      ARG  13  -8.780  -3.899  -6.490
   93    HG2  ARG  13           2HG      ARG  13  -9.189  -6.755  -5.625
   94    HG3  ARG  13           3HG      ARG  13  -7.794  -5.740  -5.254
   95    HD2  ARG  13           2HD      ARG  13 -10.598  -5.556  -4.231
   96    HD3  ARG  13           3HD      ARG  13  -9.082  -5.575  -3.332
   97    HE   ARG  13           HE       ARG  13 -10.435  -3.288  -4.330
   98   HH11  ARG  13          1HH1      ARG  13  -7.259  -4.598  -3.770
   99   HH12  ARG  13          2HH1      ARG  13  -6.508  -3.046  -3.592
  100   HH21  ARG  13          1HH2      ARG  13  -9.459  -1.240  -4.098
  101   HH22  ARG  13          2HH2      ARG  13  -7.760  -1.137  -3.778
  102    H    LYS  14           H        LYS  14 -10.154  -3.936  -9.356
  103    HA   LYS  14           HA       LYS  14 -10.365  -1.174  -8.940
  104    HB2  LYS  14           2HB      LYS  14 -10.792  -2.728 -11.499
  105    HB3  LYS  14           3HB      LYS  14 -10.493  -0.999 -11.392
  106    HG2  LYS  14           2HG      LYS  14  -8.279  -1.351 -10.593
  107    HG3  LYS  14           3HG      LYS  14  -8.567  -3.081 -10.390
  108    HD2  LYS  14           2HD      LYS  14  -7.340  -2.890 -12.388
  109    HD3  LYS  14           3HD      LYS  14  -9.012  -3.140 -12.896
  110    HE2  LYS  14           2HE      LYS  14  -8.206  -1.405 -14.262
  111    HE3  LYS  14           3HE      LYS  14  -9.184  -0.606 -13.032
  112    HZ1  LYS  14           3HZ      LYS  14  -6.280  -0.578 -13.405
  113    HZ2  LYS  14           1HZ      LYS  14  -6.878  -0.464 -11.827
  114    HZ3  LYS  14           2HZ      LYS  14  -7.325   0.683 -12.985
  115    H    LYS  15           H        LYS  15 -12.202  -0.519  -7.904
  116    HA   LYS  15           HA       LYS  15 -14.813  -1.355  -8.805
  117    HB2  LYS  15           2HB      LYS  15 -13.930   0.655  -6.730
  118    HB3  LYS  15           3HB      LYS  15 -15.613   0.270  -7.066
  119    HG2  LYS  15           2HG      LYS  15 -15.523  -1.480  -5.717
  120    HG3  LYS  15           3HG      LYS  15 -14.161  -2.151  -6.617
  121    HD2  LYS  15           2HD      LYS  15 -13.233  -1.898  -4.525
  122    HD3  LYS  15           3HD      LYS  15 -12.788  -0.366  -5.281
  123    HE2  LYS  15           2HE      LYS  15 -14.865   0.617  -4.265
  124    HE3  LYS  15           3HE      LYS  15 -15.053  -0.886  -3.363
  125    HZ1  LYS  15           3HZ      LYS  15 -13.840   1.076  -2.265
  126    HZ2  LYS  15           1HZ      LYS  15 -12.525   0.624  -3.230
  127    HZ3  LYS  15           2HZ      LYS  15 -13.171  -0.471  -2.115
  128    H    ARG  16           H        ARG  16 -13.713   1.962  -8.177
  129    HA   ARG  16           HA       ARG  16 -15.373   2.953 -10.315
  130    HB2  ARG  16           2HB      ARG  16 -14.641   4.017  -7.952
  131    HB3  ARG  16           3HB      ARG  16 -13.428   4.754  -8.990
  132    HG2  ARG  16           2HG      ARG  16 -15.472   5.367 -10.481
  133    HG3  ARG  16           3HG      ARG  16 -16.388   5.102  -8.996
  134    HD2  ARG  16           2HD      ARG  16 -14.381   6.639  -8.058
  135    HD3  ARG  16           3HD      ARG  16 -14.498   7.251  -9.707
  136    HE   ARG  16           HE       ARG  16 -16.472   8.253  -9.148
  137   HH11  ARG  16          1HH1      ARG  16 -15.738   5.812  -6.777
  138   HH12  ARG  16          2HH1      ARG  16 -17.049   6.248  -5.731
  139   HH21  ARG  16          1HH2      ARG  16 -18.201   8.836  -7.780
  140   HH22  ARG  16          2HH2      ARG  16 -18.450   7.968  -6.303
  141    H    ILE  17           H        ILE  17 -11.928   2.555  -9.688
  142    HA   ILE  17           HA       ILE  17 -10.908   3.986 -11.853
  143    HB   ILE  17           HB       ILE  17  -8.975   2.297 -11.706
  144   HG12  ILE  17          2HG1      ILE  17 -10.827   0.795 -10.344
  145   HG13  ILE  17          3HG1      ILE  17  -9.085   0.546 -10.291
  146   HG21  ILE  17          1HG2      ILE  17  -9.846   3.966  -9.357
  147   HG22  ILE  17          2HG2      ILE  17  -8.240   3.256  -9.514
  148   HG23  ILE  17          3HG2      ILE  17  -8.797   4.446 -10.690
  149   HD11  ILE  17          3HD1      ILE  17 -10.558   2.321  -8.368
  150   HD12  ILE  17          1HD1      ILE  17 -10.237   0.613  -8.073
  151   HD13  ILE  17          2HD1      ILE  17  -8.896   1.744  -8.256
  152    H    SER  18           H        SER  18 -12.182   0.715 -11.665
  153    HA   SER  18           HA       SER  18 -11.306  -0.255 -14.133
  154    HB2  SER  18           2HB      SER  18 -12.232  -1.884 -12.743
  155    HB3  SER  18           3HB      SER  18 -13.645  -0.899 -12.363
  156    HG   SER  18           HG       SER  18 -13.504  -2.781 -14.151
  157    H    VAL  19           H        VAL  19 -14.564   1.001 -13.386
  158    HA   VAL  19           HA       VAL  19 -15.361   1.207 -16.084
  159    HB   VAL  19           HB       VAL  19 -16.959   1.112 -14.205
  160   HG11  VAL  19          1HG1      VAL  19 -17.361   2.961 -12.771
  161   HG12  VAL  19          2HG1      VAL  19 -15.621   2.665 -12.740
  162   HG13  VAL  19          3HG1      VAL  19 -16.274   3.998 -13.693
  163   HG21  VAL  19          3HG2      VAL  19 -17.633   3.700 -15.451
  164   HG22  VAL  19          1HG2      VAL  19 -17.257   2.380 -16.558
  165   HG23  VAL  19          2HG2      VAL  19 -18.556   2.199 -15.379
  166    H    LYS  20           H        LYS  20 -13.891   3.504 -13.850
  167    HA   LYS  20           HA       LYS  20 -14.183   5.817 -15.420
  168    HB2  LYS  20           2HB      LYS  20 -13.585   5.993 -13.091
  169    HB3  LYS  20           3HB      LYS  20 -12.108   5.075 -13.353
  170    HG2  LYS  20           2HG      LYS  20 -12.393   7.521 -14.967
  171    HG3  LYS  20           3HG      LYS  20 -12.210   7.757 -13.227
  172    HD2  LYS  20           2HD      LYS  20 -10.378   5.833 -14.551
  173    HD3  LYS  20           3HD      LYS  20 -10.122   7.551 -14.867
  174    HE2  LYS  20           2HE      LYS  20 -10.323   6.326 -12.119
  175    HE3  LYS  20           3HE      LYS  20  -8.806   6.670 -12.949
  176    HZ1  LYS  20           3HZ      LYS  20  -8.914   8.753 -12.250
  177    HZ2  LYS  20           1HZ      LYS  20 -10.328   8.400 -11.390
  178    HZ3  LYS  20           2HZ      LYS  20 -10.425   8.971 -12.979
  179    H    LYS  21           H        LYS  21 -12.085   3.106 -15.709
  180    HA   LYS  21           HA       LYS  21 -10.135   4.466 -17.356
  181    HB2  LYS  21           2HB      LYS  21  -9.469   2.606 -15.881
  182    HB3  LYS  21           3HB      LYS  21 -10.505   1.517 -16.794
  183    HG2  LYS  21           2HG      LYS  21  -8.494   3.013 -18.350
  184    HG3  LYS  21           3HG      LYS  21  -7.880   1.785 -17.240
  185    HD2  LYS  21           2HD      LYS  21  -9.848   0.377 -18.368
  186    HD3  LYS  21           3HD      LYS  21  -9.513   1.489 -19.697
  187    HE2  LYS  21           2HE      LYS  21  -7.503  -0.285 -18.313
  188    HE3  LYS  21           3HE      LYS  21  -8.205  -0.562 -19.907
  189    HZ1  LYS  21           3HZ      LYS  21  -6.439   1.688 -19.113
  190    HZ2  LYS  21           1HZ      LYS  21  -7.209   1.566 -20.615
  191    HZ3  LYS  21           2HZ      LYS  21  -6.054   0.416 -20.161
  192    H    LYS  22           H        LYS  22 -12.598   1.944 -17.847
  193    HA   LYS  22           HA       LYS  22 -12.270   1.663 -20.610
  194    HB2  LYS  22           2HB      LYS  22 -14.763   1.294 -18.937
  195    HB3  LYS  22           3HB      LYS  22 -14.565   0.722 -20.589
  196    HG2  LYS  22           2HG      LYS  22 -13.040  -0.915 -19.976
  197    HG3  LYS  22           3HG      LYS  22 -12.655  -0.121 -18.447
  198    HD2  LYS  22           2HD      LYS  22 -13.994  -2.062 -17.988
  199    HD3  LYS  22           3HD      LYS  22 -14.965  -0.623 -17.673
  200    HE2  LYS  22           2HE      LYS  22 -16.307  -2.235 -18.852
  201    HE3  LYS  22           3HE      LYS  22 -15.978  -0.871 -19.919
  202    HZ1  LYS  22           3HZ      LYS  22 -14.026  -2.968 -20.120
  203    HZ2  LYS  22           1HZ      LYS  22 -14.881  -2.167 -21.341
  204    HZ3  LYS  22           2HZ      LYS  22 -15.585  -3.477 -20.536
  205    H    GLN  23           H        GLN  23 -14.344   3.841 -18.744
  206    HA   GLN  23           HA       GLN  23 -15.775   4.950 -20.875
  207    HB2  GLN  23           2HB      GLN  23 -16.417   6.675 -19.384
  208    HB3  GLN  23           3HB      GLN  23 -16.226   5.232 -18.398
  209    HG2  GLN  23           2HG      GLN  23 -14.806   6.300 -17.092
  210    HG3  GLN  23           3HG      GLN  23 -13.733   6.572 -18.463
  211   HE21  GLN  23          1HE2      GLN  23 -16.364   7.893 -16.579
  212   HE22  GLN  23          2HE2      GLN  23 -16.146   9.536 -17.067
  213    H    GLU  24           H        GLU  24 -15.518   6.902 -22.025
  214    HA   GLU  24           HA       GLU  24 -12.886   7.395 -22.937
  215    HB2  GLU  24           2HB      GLU  24 -15.391   9.042 -23.331
  216    HB3  GLU  24           3HB      GLU  24 -13.900   9.219 -24.246
  217    HG2  GLU  24           2HG      GLU  24 -14.161   6.951 -25.113
  218    HG3  GLU  24           3HG      GLU  24 -15.657   6.776 -24.198
  219    H    GLN  25           H        GLN  25 -11.367   8.403 -21.808
  220    HA   GLN  25           HA       GLN  25 -11.842  10.052 -19.581
  221    HB2  GLN  25           2HB      GLN  25  -9.468   9.366 -21.245
  222    HB3  GLN  25           3HB      GLN  25  -9.350  10.763 -20.184
  223    HG2  GLN  25           2HG      GLN  25  -8.553   9.113 -18.823
  224    HG3  GLN  25           3HG      GLN  25 -10.260   9.111 -18.383
  225   HE21  GLN  25          1HE2      GLN  25  -8.974   6.923 -17.743
  226   HE22  GLN  25          2HE2      GLN  25  -9.328   5.616 -18.816
  227    HA   PRO  26           HA       PRO  26 -12.530  14.072 -21.192
  228    HB2  PRO  26           2HB      PRO  26 -11.092  15.637 -19.504
  229    HB3  PRO  26           3HB      PRO  26 -12.589  14.830 -19.024
  230    HG2  PRO  26           2HG      PRO  26  -9.752  14.014 -18.524
  231    HG3  PRO  26           3HG      PRO  26 -11.137  13.982 -17.417
  232    HD2  PRO  26           2HD      PRO  26 -10.240  11.768 -18.693
  233    HD3  PRO  26           3HD      PRO  26 -11.952  12.012 -18.295